| 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 | 33.1 | Very low | 33.3 | Very low | 233 Ų | 233 | 143.5 Ų | 143.5 | 100% | 1.148 | 73% | 0.729 | S | S | * | * | 0 | 93.3 | 0 | -165.3 | 166.4 | -171.6 | 0 | 0 | 106.8 | |||||
| 2 | A | 29.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -84.3 | 112.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | M | 31.2 | Very low | 33.4 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | trans | -89.7 | 119.5 | 165.4 | -78.8 | -164.4 | -87.1 | 0 | 0 | 107.6 | ||||
| 4 | L | 30.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | -83.2 | 115.3 | 171.8 | -74.5 | 161.8 | 0 | 0 | 0 | 108.1 | ||||
| 5 | F | 31.2 | Very low | 33.6 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 82% | 0.82 | 68% | 0.684 | S | S | * | * | trans | -120.1 | 141 | 160.3 | -127.9 | -96.6 | 0 | 0 | 0 | 107.1 | Q7 | F5-Q7 PolarHBondContact O-N 3.48Š| ||
| 6 | E | 33.2 | Very low | 33.5 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.6 | 134 | -170.9 | -76.3 | -168.6 | 122.6 | 0 | 0 | 114.3 | S8 | E6-S8 PolarHBondContact O-N 3.41Š|
| 7 | Q | 37.9 | Very low | 33.7 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 11.3 | 169.5 | -57.6 | -166.3 | 2.6 | 0 | 0 | 119.9 | F5 | F5-Q7 PolarHBondContact O-N 3.48Š|
| 8 | S | 36.2 | Very low | 33.6 | Very low | 44 Ų | 44 | 133.7 Ų | 133.7 | 31% | 0.308 | 69% | 0.692 | S | S | . | * | trans | -148.1 | 119.4 | 172.3 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | E6 | E6-S8 PolarHBondContact O-N 3.41Š| ||
| 9 | V | 36.9 | Very low | 33.4 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 43% | 0.43 | 70% | 0.701 | S | S | . | * | trans | -93.2 | 113.7 | 172.2 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | F11 | V9-F11 HydrophobicContact CB-CE2 4.22Å; V9-F11 HydrophobicContact CG1-CD2 3.92Å; V9-F11 HydrophobicContact CG1-CE1 4.4Å; V9-F11 HydrophobicContact CG1-CE2 3.32Å; V9-F11 HydrophobicContact CG1-CZ 3.6Å | ||
| 10 | F | 33.4 | Very low | 33.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 52% | 0.518 | 70% | 0.702 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.8 | 172.9 | -64.1 | -87.8 | 0 | 0 | 0 | 109.2 | Q32 | F10-Q32 HydrophobicContact CD1-CG 4.49Å; F10-Q32 HydrophobicContact CE1-CB 4.41Å; F10-Q32 HydrophobicContact CE1-CG 3.8Å; F10-Q32 HydrophobicContact CZ-CG 4.42Å |
| 11 | F | 33.6 | Very low | 34 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 50% | 0.496 | 71% | 0.705 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.5 | 167.2 | -68 | -84.1 | 0 | 0 | 0 | 108.5 | V9 F13 | V9-F11 HydrophobicContact CB-CE2 4.22Å; V9-F11 HydrophobicContact CG1-CD2 3.92Å; V9-F11 HydrophobicContact CG1-CE1 4.4Å; V9-F11 HydrophobicContact CG1-CE2 3.32Å; V9-F11 HydrophobicContact CG1-CZ 3.6Å; F11-F13 HydrophobicContact CB-CD2 4.05Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.47Å; F11-F13 HydrophobicContact CD1-CE2 4.34Å; F11-F13 HydrophobicContact CD1-CZ 4.44Å; F11-F13 HydrophobicContact CG-CE2 4.23Å |
| 12 | V | 34.2 | Very low | 34.3 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 109 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 107 | L28 | V12-L28 HydrophobicContact CG1-CD1 4.49Å |
| 13 | F | 33.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 50% | 0.504 | 68% | 0.678 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 119.2 | 170.9 | -71 | -80.2 | 0 | 0 | 0 | 109 | F11 L15 F31 | F11-F13 HydrophobicContact CB-CD2 4.05Å; F11-F13 HydrophobicContact CB-CE2 3.62Å; F11-F13 HydrophobicContact CB-CZ 4.47Å; F11-F13 HydrophobicContact CD1-CE2 4.34Å; F11-F13 HydrophobicContact CD1-CZ 4.44Å; F11-F13 HydrophobicContact CG-CE2 4.23Å; F13-L15 PolarHBondContact O-N 3.2Å; F13-F31 HydrophobicContact CD2-CD2 4.06Å; F13-F31 AromaticContact CD2-CE2 3.94Å; F13-F31 HydrophobicContact CD2-CE2 3.94Å |
| 14 | N | 32.8 | Very low | 35.1 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -77.7 | 95.6 | 163.4 | -90.4 | -57.3 | 0 | 0 | 0 | 107.6 | M16 | N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; N14-M16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | L | 36.8 | Very low | 35.7 | Very low | 85 Ų | 85 | 120 Ų | 120 | 45% | 0.445 | 66% | 0.661 | S | S | . | * | trans | -77.5 | 87.5 | 167.3 | -93.7 | 150.7 | 0 | 0 | 0 | 108.3 | F13 F17 V29 | F13-L15 PolarHBondContact O-N 3.2Å; L15-F17 HydrophobicContact CB-CD2 4.36Å; L15-F17 HydrophobicContact CB-CE2 4.07Å; L15-F17 HydrophobicContact CD2-CE1 4.45Å; L15-F17 HydrophobicContact CD2-CE2 3.81Å; L15-F17 HydrophobicContact CD2-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.4Å; L15-F17 PolarHBondContact O-N 3.08Å; L15-V29 HydrophobicContact CD1-CG2 4.33Å | ||
| 16 | M | 32.5 | Very low | 36 | Very low | 170 Ų | 170 | 113.1 Ų | 113.1 | 84% | 0.837 | 64% | 0.643 | S | S | * | * | trans | -81.6 | 93.5 | 168.8 | -163 | -172.9 | -79.6 | 0 | 0 | 107.6 | N14 G18 | N14-M16 VanDerWaalsContact C-N 3.3Å; N14-M16 PolarHBondContact O-N 3.28Å; N14-M16 VanDerWaalsContact O-N 3.08Å; M16-G18 PolarHBondContact O-N 3.19Å | ||
| 17 | F | 35.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 110.3 Ų | 110.3 | 75% | 0.75 | 63% | 0.626 | S | S | * | * | trans | -75.3 | 101.6 | 167.8 | -73.9 | -80 | 0 | 0 | 0 | 108.6 | L15 | L15-F17 HydrophobicContact CB-CD2 4.36Å; L15-F17 HydrophobicContact CB-CE2 4.07Å; L15-F17 HydrophobicContact CD2-CE1 4.45Å; L15-F17 HydrophobicContact CD2-CE2 3.81Å; L15-F17 HydrophobicContact CD2-CZ 3.78Å; L15-F17 HydrophobicContact CG-CE2 4.4Å; L15-F17 PolarHBondContact O-N 3.08Å | ||
| 18 | G | 31.8 | Very low | 35.9 | Very low | 59 Ų | 59 | 104.5 Ų | 104.5 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | trans | -88.2 | 148.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | M16 | M16-G18 PolarHBondContact O-N 3.19Š| ||
| 19 | T | 31.6 | Very low | 35.8 | Very low | 142 Ų | 142 | 103.1 Ų | 103.1 | 87% | 0.871 | 59% | 0.59 | S | S | * | * | cis | -160.9 | 133.9 | 2.6 | 45.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 20 | S | 35.5 | Very low | 35.6 | Very low | 102 Ų | 102 | 101.8 Ų | 101.8 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -157 | 100.9 | 147.7 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | D22 | S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact O-N 3.35Å |
| 21 | S | 42.9 | Very low | 35.7 | Very low | 109 Ų | 109 | 99.4 Ų | 99.4 | 76% | 0.762 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 45.7 | -18 | 159.9 | 51.8 | 0 | 0 | 0 | 0 | 123.4 | ||
| 22 | D | 39 | Very low | 35.7 | Very low | 117 Ų | 117 | 96.7 Ų | 96.7 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -131.7 | 114.9 | -170.8 | -58.1 | -45.1 | 0 | 0 | 0 | 111.1 | S20 | S20-D22 VanDerWaalsContact C-N 3.26Å; S20-D22 PolarHBondContact O-N 3.35Å |
| 23 | G | 39.7 | Very low | 35.5 | Very low | 78 Ų | 78 | 95.3 Ų | 95.3 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | trans | 46.9 | 103 | 159.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | S25 | G23-S25 PolarHBondContact O-N 3.43Š| ||
| 24 | L | 38.4 | Very low | 36 | Very low | 164 Ų | 164 | 93.9 Ų | 93.9 | 86% | 0.859 | 55% | 0.546 | S | S | * | . | trans | -64.1 | 96.7 | 172.1 | -73.7 | 161.3 | 0 | 0 | 0 | 112.3 | ||||
| 25 | S | 43.3 | Very low | 36.4 | Very low | 69 Ų | 69 | 91.6 Ų | 91.6 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | trans | -88.4 | 103.8 | 156 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | G23 | G23-S25 PolarHBondContact O-N 3.43Š| ||
| 26 | G | 36.6 | Very low | 36.5 | Very low | 43 Ų | 43 | 95 Ų | 95 | 44% | 0.443 | 56% | 0.556 | S | S | . | * | trans | -88 | 130.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 27 | Y | 37.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 95.5 Ų | 95.5 | 48% | 0.482 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.7 | 171.3 | -66.2 | -84.9 | 0 | 0 | 0 | 110 | ||
| 28 | L | 31.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 92.3 Ų | 92.3 | 38% | 0.377 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.9 | 167.1 | -167.5 | 83.4 | 0 | 0 | 0 | 107.7 | V12 V30 V44 | V12-L28 HydrophobicContact CG1-CD1 4.49Å; L28-V30 HydrophobicContact CD2-CG2 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å; L28-V44 PolarHBondContact N-O 3.13Å; L28-V44 PolarHBondContact O-N 3.22Å |
| 29 | V | 34.9 | Very low | 36.5 | Very low | 16 Ų | 16 | 94.8 Ų | 94.8 | 10% | 0.097 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.7 | 171.7 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | L15 F31 V41 L43 | L15-V29 HydrophobicContact CD1-CG2 4.33Å; V29-F31 HydrophobicContact CB-CE2 4.25Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.51Å; V29-F31 HydrophobicContact CG1-CZ 3.63Å; V29-V41 HydrophobicContact CG1-CG1 3.98Å; V29-L43 HydrophobicContact CG2-CD2 3.81Å |
| 30 | V | 33.5 | Very low | 36.6 | Very low | 43 Ų | 43 | 92.2 Ų | 92.2 | 26% | 0.261 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.5 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L28 N42 | L28-V30 HydrophobicContact CD2-CG2 3.73Å; L28-V30 HydrophobicContact CG-CG2 4.13Å; V30-N42 PolarHBondContact N-O 3.38Å; V30-N42 PolarHBondContact O-N 2.73Å |
| 31 | F | 34.1 | Very low | 36.4 | Very low | 68 Ų | 68 | 88.3 Ų | 88.3 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 121.5 | 170.2 | -64.1 | -85.8 | 0 | 0 | 0 | 109.3 | F13 V29 V41 | F13-F31 HydrophobicContact CD2-CD2 4.06Å; F13-F31 AromaticContact CD2-CE2 3.94Å; F13-F31 HydrophobicContact CD2-CE2 3.94Å; V29-F31 HydrophobicContact CB-CE2 4.25Å; V29-F31 HydrophobicContact CG1-CD2 4.09Å; V29-F31 HydrophobicContact CG1-CE1 4.3Å; V29-F31 HydrophobicContact CG1-CE2 3.51Å; V29-F31 HydrophobicContact CG1-CZ 3.63Å; F31-V41 HydrophobicContact CD1-CG2 3.98Å; F31-V41 HydrophobicContact CE1-CG2 3.99Å |
| 32 | Q | 34.8 | Very low | 35.9 | Very low | 56 Ų | 56 | 86.7 Ų | 86.7 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113 | 169.2 | -166.5 | 175.2 | -18.6 | 0 | 0 | 109.4 | F10 L34 Q40 | F10-Q32 HydrophobicContact CD1-CG 4.49Å; F10-Q32 HydrophobicContact CE1-CB 4.41Å; F10-Q32 HydrophobicContact CE1-CG 3.8Å; F10-Q32 HydrophobicContact CZ-CG 4.42Å; Q32-L34 HydrophobicContact CG-CG 4.12Å; Q32-L34 PolarHBondContact O-N 3.39Å; Q32-Q40 PolarHBondContact N-O 2.96Å; Q32-Q40 VanDerWaalsContact N-O 3.13Å; Q32-Q40 PolarHBondContact O-N 2.79Å |
| 33 | M | 29.4 | Very low | 35.6 | Very low | 63 Ų | 63 | 84.3 Ų | 84.3 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 111 | 167.2 | -103.3 | -88.1 | -85.6 | 0 | 0 | 108.3 | Y39 | M33-Y39 HydrophobicContact CG-CD1 3.96Å; M33-Y39 HydrophobicContact CG-CE1 3.62Å; M33-Y39 HydrophobicContact SD-CD1 4.08Å; M33-Y39 HydrophobicContact SD-CE1 3.42Å; M33-Y39 WeakPolarHBondContact SD-CE1 3.46Å |
| 34 | L | 43.6 | Very low | 35.5 | Very low | 85 Ų | 85 | 84.6 Ų | 84.6 | 45% | 0.445 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -27.6 | -177.9 | -83.7 | 154.8 | 0 | 0 | 0 | 113.1 | Q32 H38 Q40 | Q32-L34 HydrophobicContact CG-CG 4.12Å; Q32-L34 PolarHBondContact O-N 3.39Å; L34-H38 PolarHBondContact N-O 3.18Å; L34-Q40 HydrophobicContact CD1-CB 3.93Å; L34-Q40 HydrophobicContact CD1-CG 3.87Å |
| 35 | T | 40.9 | Very low | 35.2 | Very low | 88 Ų | 88 | 80.5 Ų | 80.5 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 169.8 | 173.2 | 45.2 | 0 | 0 | 0 | 0 | 110.1 | K37 H38 | T35-K37 PolarHBondContact O-N 3.49Å; T35-H38 PolarHBondContact O-N 3.34Å |
| 36 | D | 39.5 | Very low | 34.9 | Very low | 158 Ų | 158 | 80.1 Ų | 80.1 | 85% | 0.845 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -6.9 | -177.7 | -100.2 | -9.4 | 0 | 0 | 0 | 117 | ||
| 37 | K | 38 | Very low | 34.7 | Very low | 180 Ų | 180 | 85.2 Ų | 85.2 | 78% | 0.783 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.7 | 16.2 | -179.4 | -62.6 | -170.2 | 179.7 | -175.7 | 0 | 114.9 | T35 | T35-K37 PolarHBondContact O-N 3.49Š|
| 38 | H | 31.8 | Very low | 34.6 | Very low | 104 Ų | 104 | 90.6 Ų | 90.6 | 48% | 0.481 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 121.5 | 179.3 | -80.5 | -73.3 | 0 | 0 | 0 | 112.6 | L34 T35 | L34-H38 PolarHBondContact N-O 3.18Å; T35-H38 PolarHBondContact O-N 3.34Å |
| 39 | Y | 31.1 | Very low | 34.7 | Very low | 111 Ų | 111 | 92.6 Ų | 92.6 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.7 | 168.6 | -58 | -87.6 | 0 | 0 | 0 | 110.1 | M33 D72 | M33-Y39 HydrophobicContact CG-CD1 3.96Å; M33-Y39 HydrophobicContact CG-CE1 3.62Å; M33-Y39 HydrophobicContact SD-CD1 4.08Å; M33-Y39 HydrophobicContact SD-CE1 3.42Å; M33-Y39 WeakPolarHBondContact SD-CE1 3.46Å; Y39-D72 WeakPolarHBondContact CD2-OD2 3.42Å |
| 40 | Q | 32.3 | Very low | 34.5 | Very low | 88 Ų | 88 | 95 Ų | 95 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.5 | 159.4 | -93.1 | -164 | -28 | 0 | 0 | 109 | Q32 L34 | Q32-Q40 PolarHBondContact N-O 2.96Å; Q32-Q40 VanDerWaalsContact N-O 3.13Å; Q32-Q40 PolarHBondContact O-N 2.79Å; L34-Q40 HydrophobicContact CD1-CB 3.93Å; L34-Q40 HydrophobicContact CD1-CG 3.87Å |
| 41 | V | 31.8 | Very low | 34.6 | Very low | 20 Ų | 20 | 100.4 Ų | 100.4 | 12% | 0.121 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.6 | 172.1 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | V29 F31 | V29-V41 HydrophobicContact CG1-CG1 3.98Å; F31-V41 HydrophobicContact CD1-CG2 3.98Å; F31-V41 HydrophobicContact CE1-CG2 3.99Å |
| 42 | N | 33 | Very low | 34.5 | Very low | 74 Ų | 74 | 103.2 Ų | 103.2 | 40% | 0.396 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.6 | 173.2 | -69.2 | -37.8 | 0 | 0 | 0 | 108.4 | V30 | V30-N42 PolarHBondContact N-O 3.38Å; V30-N42 PolarHBondContact O-N 2.73Å |
| 43 | L | 32.6 | Very low | 34.4 | Very low | 68 Ų | 68 | 107.8 Ų | 107.8 | 36% | 0.356 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.8 | 169.3 | -77.8 | 173.6 | 0 | 0 | 0 | 109 | V29 L63 | V29-L43 HydrophobicContact CG2-CD2 3.81Å; L43-L63 HydrophobicContact CD1-CB 4.13Å; L43-L63 HydrophobicContact CD1-CD1 3.93Å; L43-L63 HydrophobicContact CD1-CD2 3.61Å; L43-L63 HydrophobicContact CD1-CG 4.09Å; L43-L63 HydrophobicContact CG-CD2 4.09Å |
| 44 | V | 36.6 | Very low | 34.3 | Very low | 84 Ų | 84 | 116.4 Ų | 116.4 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 116.6 | 169.7 | -177 | 0 | 0 | 0 | 0 | 107.8 | L28 A46 | L28-V44 PolarHBondContact N-O 3.13Å; L28-V44 PolarHBondContact O-N 3.22Å; V44-A46 PolarHBondContact O-N 3.45Å |
| 45 | S | 33.4 | Very low | 33.9 | Very low | 78 Ų | 78 | 118 Ų | 118 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.3 | 173.4 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 46 | A | 35.5 | Very low | 33.3 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | trans | -97.6 | 94.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | V44 R48 | V44-A46 PolarHBondContact O-N 3.45Å; A46-R48 PolarHBondContact O-N 3.42Å | ||
| 47 | N | 32.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 119.6 Ų | 119.6 | 80% | 0.797 | 63% | 0.629 | S | S | * | * | trans | -76.5 | 114.8 | 177 | -159.1 | -6.8 | 0 | 0 | 0 | 110.1 | ||||
| 48 | R | 37.4 | Very low | 32.5 | Very low | 236 Ų | 236 | 116.8 Ų | 116.8 | 89% | 0.891 | 63% | 0.632 | S | S | * | * | trans | -119.2 | 99 | 161.6 | -96.2 | -167.9 | 177 | -167.8 | 0.3 | 110 | A46 | A46-R48 PolarHBondContact O-N 3.42Š| ||
| 49 | S | 31.8 | Very low | 32.7 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | trans | -9.9 | 125.2 | 148.4 | 56.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 50 | G | 30.7 | Very low | 33 | Very low | 67 Ų | 67 | 111.8 Ų | 111.8 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | 138.4 | 115.8 | 152.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 51 | L | 35 | Very low | 33.4 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | trans | 81 | 112.5 | 156.8 | -89 | 73.1 | 0 | 0 | 0 | 119.2 | ||||
| 52 | D | 33.6 | Very low | 34 | Very low | 127 Ų | 127 | 111.5 Ų | 111.5 | 68% | 0.679 | 65% | 0.646 | S | S | * | * | trans | 83.6 | 88.1 | 130.2 | -58.4 | -15.2 | 0 | 0 | 0 | 120.1 | ||||
| 53 | N | 32 | Very low | 34.7 | Very low | 152 Ų | 152 | 109.1 Ų | 109.1 | 81% | 0.813 | 63% | 0.633 | S | S | * | * | 37.9 | 91.1 | 120.5 | -67.6 | -22.4 | 0 | 0 | 0 | 117.1 | |||||
| 54 | R | 27.7 | Very low | 35.7 | Very low | 243 Ų | 243 | 105.9 Ų | 105.9 | 92% | 0.917 | 62% | 0.616 | S | S | * | * | 178.5 | 5.3 | 128.3 | -103.7 | 171.3 | 154.5 | 178.6 | -7.1 | 119 | |||||
| 55 | I | 35.8 | Very low | 36.4 | Very low | 120 Ų | 120 | 102.2 Ų | 102.2 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | trans | -113.6 | 106.4 | 177.7 | -49.2 | -179.7 | 0 | 0 | 0 | 109.5 | C57 | I55-C57 WeakPolarHBondContact CG2-SG 3.3Å; I55-C57 PolarHBondContact O-N 2.95Å | ||
| 56 | N | 27.2 | Very low | 37.1 | Very low | 168 Ų | 168 | 98.5 Ų | 98.5 | 90% | 0.898 | 57% | 0.567 | S | S | * | * | trans | -67.1 | 82.2 | 169.3 | -78.4 | -14.3 | 0 | 0 | 0 | 109.3 | ||||
| 57 | C | 30.8 | Very low | 38.1 | Very low | 111 Ų | 111 | 99.5 Ų | 99.5 | 75% | 0.75 | 56% | 0.558 | S | S | * | * | trans | -97.8 | 80.8 | 163.7 | -67.9 | 0 | 0 | 0 | 0 | 108.3 | I55 | I55-C57 WeakPolarHBondContact CG2-SG 3.3Å; I55-C57 PolarHBondContact O-N 2.95Å | ||
| 58 | S | 29.9 | Very low | 39 | Very low | 121 Ų | 121 | 95.7 Ų | 95.7 | 85% | 0.846 | 54% | 0.54 | S | S | * | . | trans | -95.7 | 91.9 | 162.6 | 65.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 59 | G | 35.6 | Very low | 40 | Very low | 53 Ų | 53 | 87 Ų | 87 | 55% | 0.546 | 51% | 0.511 | S | S | . | . | trans | 178.6 | 105.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S61 | G59-S61 PolarHBondContact O-N 2.9Š| ||
| 60 | A | 38.4 | Very low | 41.6 | Very low | 56 Ų | 56 | 82.2 Ų | 82.2 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 132.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | E79 | A60-E79 WeakPolarHBondContact CB-OE1 3.49Å; A60-E79 VanDerWaalsContact O-CD 3.23Å; A60-E79 VanDerWaalsContact O-CG 3.29Å; A60-E79 WeakPolarHBondContact O-CG 3.4Å |
| 61 | S | 40 | Very low | 43.3 | Very low | 96 Ų | 96 | 82.6 Ų | 82.6 | 67% | 0.671 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 117.8 | -179 | -63.8 | 0 | 0 | 0 | 0 | 107.3 | G59 | G59-S61 PolarHBondContact O-N 2.9Å |
| 62 | A | 45.9 | Very low | 44.8 | Very low | 6 Ų | 6 | 78.5 Ų | 78.5 | 5% | 0.05 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | L77 I135 | A62-L77 PolarHBondContact N-O 3.19Å; A62-L77 PolarHBondContact O-N 2.85Å; A62-L77 VanDerWaalsContact O-N 3.15Å; A62-I135 HydrophobicContact CB-CD1 4.21Å |
| 63 | L | 46.6 | Very low | 46.5 | Very low | 24 Ų | 24 | 74 Ų | 74 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 129.9 | 169.9 | -172.1 | 76.3 | 0 | 0 | 0 | 109.2 | L43 V134 I135 | L43-L63 HydrophobicContact CD1-CB 4.13Å; L43-L63 HydrophobicContact CD1-CD1 3.93Å; L43-L63 HydrophobicContact CD1-CD2 3.61Å; L43-L63 HydrophobicContact CD1-CG 4.09Å; L43-L63 HydrophobicContact CG-CD2 4.09Å; L63-V134 HydrophobicContact CB-CG1 4.12Å; L63-V134 HydrophobicContact CB-CG2 4.19Å; L63-V134 HydrophobicContact CD2-CB 4.37Å; L63-V134 HydrophobicContact CD2-CG1 3.72Å; L63-V134 HydrophobicContact CD2-CG2 3.74Å; L63-V134 HydrophobicContact CG-CG1 4.04Å; L63-V134 HydrophobicContact CG-CG2 4.49Å; L63-I135 PolarHBondContact O-N 3.5Å |
| 64 | V | 53.4 | Low | 48.5 | Very low | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.3 | -179.2 | 163.5 | 0 | 0 | 0 | 0 | 111 | F66 S74 L75 L77 I120 I135 I137 | V64-F66 HydrophobicContact CG1-CD2 4.26Å; V64-F66 HydrophobicContact CG1-CE2 3.79Å; V64-F66 HydrophobicContact CG1-CZ 4.12Å; V64-S74 CarbonylContact O-C 3.55Å; V64-S74 VanDerWaalsContact O-CA 3.31Å; V64-S74 WeakPolarHBondContact O-CA 3.48Å; V64-L75 PolarHBondContact N-O 3.23Å; V64-L75 PolarHBondContact O-N 2.7Å; V64-L77 HydrophobicContact CB-CD1 4.03Å; V64-L77 HydrophobicContact CG1-CD1 4.25Å; V64-L77 HydrophobicContact CG2-CD1 3.94Å; V64-L77 HydrophobicContact CG2-CG 4.49Å; V64-I120 HydrophobicContact CG2-CD1 4.37Å; V64-I135 VanDerWaalsContact CA-O 3.24Å; V64-I135 WeakPolarHBondContact CA-O 3.43Å; V64-I137 HydrophobicContact CB-CD1 4.19Å; V64-I137 HydrophobicContact CB-CG1 4.42Å; V64-I137 HydrophobicContact CG1-CB 3.84Å; V64-I137 HydrophobicContact CG1-CD1 3.43Å; V64-I137 VanDerWaalsContact CG1-CD1 3.43Å; V64-I137 HydrophobicContact CG1-CG1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 3.67Å; V64-I137 HydrophobicContact CG2-CG1 4.17Å |
| 65 | I | 51.9 | Low | 50.8 | Low | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.9 | 175.1 | -59 | 174.2 | 0 | 0 | 0 | 110.7 | R67 V134 I135 I137 | I65-R67 HydrophobicContact CG2-CG 4Å; I65-V134 HydrophobicContact CD1-CG1 3.55Å; I65-V134 HydrophobicContact CG1-CG1 3.68Å; I65-I135 PolarHBondContact N-O 2.77Å; I65-I135 VanDerWaalsContact N-O 3.08Å; I65-I137 CarbonylContact O-C 3.54Å; I65-I137 PolarHBondContact O-N 3.5Å |
| 66 | F | 48.3 | Very low | 52.6 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.1 | 172.8 | -68.9 | -86.1 | 0 | 0 | 0 | 111.8 | V64 F70 T73 L75 L86 L93 F109 I137 C139 | V64-F66 HydrophobicContact CG1-CD2 4.26Å; V64-F66 HydrophobicContact CG1-CE2 3.79Å; V64-F66 HydrophobicContact CG1-CZ 4.12Å; F66-F70 HydrophobicContact CB-CD2 4.1Å; F66-T73 PolarHBondContact N-O 2.72Å; F66-L75 HydrophobicContact CD2-CD1 4.38Å; F66-L75 HydrophobicContact CE2-CD1 3.92Å; F66-L75 HydrophobicContact CE2-CG 4.48Å; F66-L86 HydrophobicContact CZ-CD2 4.21Å; F66-L93 HydrophobicContact CD2-CD1 4.21Å; F66-L93 HydrophobicContact CE2-CD1 4.3Å; F66-F109 HydrophobicContact CE1-CD1 4.14Å; F66-F109 AromaticContact CE1-CE1 3.84Å; F66-F109 HydrophobicContact CE1-CE1 3.84Å; F66-I137 WeakPolarHBondContact CA-O 3.31Å; F66-I137 HydrophobicContact CE1-CG2 4.41Å; F66-C139 HydrophobicContact CD1-CB 3.96Å; F66-C139 HydrophobicContact CE1-CB 4.46Å |
| 67 | R | 55.5 | Low | 55 | Low | 82 Ų | 82 | 52.2 Ų | 52.2 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | trans | -116 | -18.3 | -170.3 | -73 | -163.1 | 172.1 | 161.9 | -3.5 | 118.5 | I65 V136 | I65-R67 HydrophobicContact CG2-CG 4Å; R67-V136 VanDerWaalsContact CD-CG1 3.48Å; R67-V136 HydrophobicContact CG-CG1 3.82Å | ||
| 68 | T | 51.9 | Low | 57.1 | Low | 68 Ų | 68 | 51.8 Ų | 51.8 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -113.6 | -20.2 | -160.4 | 40.7 | 0 | 0 | 0 | 0 | 115.5 | E138 C139 | T68-E138 HydrophobicContact CG2-CB 4.05Å; T68-E138 HydrophobicContact CG2-CG 4.06Å; T68-C139 WeakPolarHBondContact CB-O 3.47Å; T68-C139 PolarHBondContact OG1-N 3.24Å; T68-C139 PolarHBondContact OG1-O 3.33Å |
| 69 | L | 58.6 | Low | 59.3 | Low | 55 Ų | 55 | 48.9 Ų | 48.9 | 29% | 0.288 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -127.9 | -1.8 | 178.9 | -67 | 172 | 0 | 0 | 0 | 113 | F107 C139 D141 | L69-F107 HydrophobicContact CD1-CD1 3.81Å; L69-F107 HydrophobicContact CD1-CE1 3.7Å; L69-C139 HydrophobicContact CD1-CB 4.48Å; L69-C139 VanDerWaalsContact CD1-O 3.32Å; L69-C139 WeakPolarHBondContact CD1-O 3.43Å; L69-C139 WeakPolarHBondContact CG-O 3.41Å; L69-D141 VanDerWaalsContact CD1-OD1 3.26Å; L69-D141 WeakPolarHBondContact CD1-OD1 3.26Å |
| 70 | F | 64.9 | Low | 61.3 | Low | 13 Ų | 13 | 55.5 Ų | 55.5 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -139.2 | 151.2 | -172.5 | -52.5 | -70.8 | 0 | 0 | 0 | 108.8 | F66 L93 Y94 F97 C139 | F66-F70 HydrophobicContact CB-CD2 4.1Å; F70-L93 HydrophobicContact CD1-CB 4.26Å; F70-L93 HydrophobicContact CE1-CB 4.08Å; F70-L93 HydrophobicContact CZ-CB 4.44Å; F70-Y94 AromaticContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CG 4.35Å; F70-Y94 HydrophobicContact CZ-CD2 4.22Å; F70-F97 HydrophobicContact CB-CE2 4.37Å; F70-F97 AromaticContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CE2 4.25Å; F70-F97 HydrophobicContact CE1-CD2 4.5Å; F70-C139 HydrophobicContact CE2-CB 4.14Å |
| 71 | P | 66.2 | Low | 63.2 | Low | 75 Ų | 75 | 53.3 Ų | 53.3 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -56.7 | 147.5 | 164.4 | 26.4 | -32.9 | 0 | 0 | 0 | 109.3 | T73 F97 | P71-T73 VanDerWaalsContact C-N 3.32Å; P71-T73 WeakPolarHBondContact O-CB 3.09Å; P71-T73 PolarHBondContact O-N 2.94Å; P71-T73 PolarHBondContact O-OG1 3.41Å; P71-F97 HydrophobicContact CG-CD1 3.9Å; P71-F97 HydrophobicContact CG-CE1 3.28Å; P71-F97 HydrophobicContact CG-CE2 4.17Å; P71-F97 HydrophobicContact CG-CZ 3.44Å; P71-F97 VanDerWaalsContact CG-CZ 3.44Å |
| 72 | D | 66.6 | Low | 65.4 | Low | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -51.1 | 92.2 | -175.2 | -75.7 | -23.7 | 0 | 0 | 0 | 111.3 | Y39 | Y39-D72 WeakPolarHBondContact CD2-OD2 3.42Š|
| 73 | T | 69.2 | Low | 67.4 | Low | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.202 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.9 | -174.2 | -58.4 | 0 | 0 | 0 | 0 | 107.7 | F66 P71 L75 | F66-T73 PolarHBondContact N-O 2.72Å; P71-T73 VanDerWaalsContact C-N 3.32Å; P71-T73 WeakPolarHBondContact O-CB 3.09Å; P71-T73 PolarHBondContact O-N 2.94Å; P71-T73 PolarHBondContact O-OG1 3.41Å; T73-L75 HydrophobicContact CG2-CD2 4.09Å; T73-L75 HydrophobicContact CG2-CG 4.25Å |
| 74 | S | 74.5 | Confident | 69.4 | Low | 59 Ų | 59 | 57 Ų | 57 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 123.2 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | V64 | V64-S74 CarbonylContact O-C 3.55Å; V64-S74 VanDerWaalsContact O-CA 3.31Å; V64-S74 WeakPolarHBondContact O-CA 3.48Å |
| 75 | L | 75.1 | Confident | 71 | Confident | 47 Ų | 47 | 61.4 Ų | 61.4 | 25% | 0.246 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.6 | 179.3 | -64.3 | -175.4 | 0 | 0 | 0 | 111.2 | V64 F66 T73 L93 | V64-L75 PolarHBondContact N-O 3.23Å; V64-L75 PolarHBondContact O-N 2.7Å; F66-L75 HydrophobicContact CD2-CD1 4.38Å; F66-L75 HydrophobicContact CE2-CD1 3.92Å; F66-L75 HydrophobicContact CE2-CG 4.48Å; T73-L75 HydrophobicContact CG2-CD2 4.09Å; T73-L75 HydrophobicContact CG2-CG 4.25Å; L75-L93 HydrophobicContact CD1-CD1 3.79Å; L75-L93 HydrophobicContact CD1-CD2 4.36Å; L75-L93 HydrophobicContact CD1-CG 4.47Å |
| 76 | S | 75.1 | Confident | 72.6 | Confident | 99 Ų | 99 | 61 Ų | 61 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 118.5 | 172.4 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 77 | L | 75.7 | Confident | 74.5 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.2 | -179 | -60.3 | -179.5 | 0 | 0 | 0 | 111.4 | A62 V64 L86 L89 I120 | A62-L77 PolarHBondContact N-O 3.19Å; A62-L77 PolarHBondContact O-N 2.85Å; A62-L77 VanDerWaalsContact O-N 3.15Å; V64-L77 HydrophobicContact CB-CD1 4.03Å; V64-L77 HydrophobicContact CG1-CD1 4.25Å; V64-L77 HydrophobicContact CG2-CD1 3.94Å; V64-L77 HydrophobicContact CG2-CG 4.49Å; L77-L86 HydrophobicContact CD1-CD2 3.31Å; L77-L89 HydrophobicContact CD1-CD1 4.5Å; L77-L89 HydrophobicContact CD2-CD1 3.43Å; L77-L89 VanDerWaalsContact CD2-CD1 3.43Å; L77-I120 HydrophobicContact CD1-CD1 4.14Å |
| 78 | I | 75.5 | Confident | 76 | Confident | 102 Ų | 102 | 63 Ų | 63 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 136.1 | 171.4 | -50.3 | 174.2 | 0 | 0 | 0 | 107.7 | R80 A81 | I78-R80 HydrophobicContact CB-CG 4.33Å; I78-R80 HydrophobicContact CG2-CB 4.49Å; I78-R80 HydrophobicContact CG2-CG 3.69Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-R80 VanDerWaalsContact O-N 3.1Å; I78-A81 VanDerWaalsContact O-CB 3.23Å; I78-A81 WeakPolarHBondContact O-CB 3.36Å; I78-A81 PolarHBondContact O-N 2.97Å |
| 79 | E | 75.8 | Confident | 77.7 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -29.9 | -179.2 | -71.5 | 175.5 | 162.7 | 0 | 0 | 114 | A60 A81 I120 G121 | A60-E79 WeakPolarHBondContact CB-OE1 3.49Å; A60-E79 VanDerWaalsContact O-CD 3.23Å; A60-E79 VanDerWaalsContact O-CG 3.29Å; A60-E79 WeakPolarHBondContact O-CG 3.4Å; E79-A81 PolarHBondContact O-N 3.44Å; E79-I120 PolarHBondContact O-N 3.34Å; E79-G121 PolarHBondContact O-N 2.73Å |
| 80 | R | 77.9 | Confident | 78.9 | Confident | 192 Ų | 192 | 59.7 Ų | 59.7 | 73% | 0.725 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -3.8 | 177.5 | 76.5 | -169.2 | 176 | 174 | -2.4 | 114.7 | I78 G82 | I78-R80 HydrophobicContact CB-CG 4.33Å; I78-R80 HydrophobicContact CG2-CB 4.49Å; I78-R80 HydrophobicContact CG2-CG 3.69Å; I78-R80 PolarHBondContact O-N 3.29Å; I78-R80 VanDerWaalsContact O-N 3.1Å; R80-G82 PolarHBondContact O-N 3.2Å |
| 81 | A | 78.7 | Confident | 79.9 | Confident | 11 Ų | 11 | 62 Ų | 62 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | trans | -66.4 | 126.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | I78 E79 E85 I120 | I78-A81 VanDerWaalsContact O-CB 3.23Å; I78-A81 WeakPolarHBondContact O-CB 3.36Å; I78-A81 PolarHBondContact O-N 2.97Å; E79-A81 PolarHBondContact O-N 3.44Å; A81-E85 HydrophobicContact CB-CB 4.4Å; A81-I120 HydrophobicContact CB-CD1 4.27Å; A81-I120 WeakPolarHBondContact O-CG1 3.46Å; A81-I120 PolarHBondContact O-N 3.33Å | ||
| 82 | G | 85.6 | Confident | 80.8 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | trans | -93.2 | -175.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R80 E84 E85 L86 | R80-G82 PolarHBondContact O-N 3.2Å; G82-E84 PolarHBondContact O-N 2.99Å; G82-E85 VanDerWaalsContact CA-OE2 3.23Å; G82-E85 WeakPolarHBondContact CA-OE2 3.24Å; G82-E85 PolarHBondContact N-OE2 3.4Å; G82-E85 PolarHBondContact O-N 3.33Å; G82-L86 WeakPolarHBondContact O-CG 3.3Å; G82-L86 PolarHBondContact O-N 3.26Å | ||
| 83 | P | 87.7 | Confident | 81.6 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -26.5 | 177.9 | 26.4 | -34.2 | 0 | 0 | 0 | 112.6 | N87 F109 | P83-N87 VanDerWaalsContact O-CB 3.31Å; P83-N87 WeakPolarHBondContact O-CB 3.32Å; P83-N87 PolarHBondContact O-N 2.9Å; P83-F109 HydrophobicContact CB-CD2 4.24Å; P83-F109 WeakPolarHBondContact O-CE2 3.34Å |
| 84 | E | 88.9 | Confident | 82.2 | Confident | 151 Ų | 151 | 61.6 Ų | 61.6 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.5 | -46.7 | 179.2 | -64.2 | -174.1 | -176.9 | 0 | 0 | 112 | G82 L86 N87 I88 | G82-E84 PolarHBondContact O-N 2.99Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; E84-N87 WeakPolarHBondContact O-CB 3.38Å; E84-N87 PolarHBondContact O-N 3.37Å; E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.41Å; E84-I88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 86.6 | Confident | 82.6 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.9 | -64.2 | 84.5 | 176.5 | 0 | 0 | 111.4 | A81 G82 N87 I88 L89 | A81-E85 HydrophobicContact CB-CB 4.4Å; G82-E85 VanDerWaalsContact CA-OE2 3.23Å; G82-E85 WeakPolarHBondContact CA-OE2 3.24Å; G82-E85 PolarHBondContact N-OE2 3.4Å; G82-E85 PolarHBondContact O-N 3.33Å; E85-N87 VanDerWaalsContact C-N 3.3Å; E85-N87 PolarHBondContact O-N 2.93Å; E85-I88 PolarHBondContact O-N 3.15Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.86Å |
| 86 | L | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 173.8 | -72.5 | 174.4 | 0 | 0 | 0 | 111.7 | F66 L77 G82 E84 L89 A90 F109 L116 I120 I137 | F66-L86 HydrophobicContact CZ-CD2 4.21Å; L77-L86 HydrophobicContact CD1-CD2 3.31Å; G82-L86 WeakPolarHBondContact O-CG 3.3Å; G82-L86 PolarHBondContact O-N 3.26Å; E84-L86 VanDerWaalsContact C-N 3.33Å; E84-L86 PolarHBondContact O-N 2.85Å; L86-L89 PolarHBondContact O-N 2.87Å; L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.25Å; L86-A90 PolarHBondContact O-N 2.86Å; L86-F109 HydrophobicContact CB-CD1 4.26Å; L86-F109 HydrophobicContact CB-CD2 3.78Å; L86-F109 HydrophobicContact CB-CE1 3.89Å; L86-F109 HydrophobicContact CB-CE2 3.37Å; L86-F109 HydrophobicContact CB-CG 4.22Å; L86-F109 HydrophobicContact CB-CZ 3.45Å; L86-F109 VanDerWaalsContact CB-CZ 3.45Å; L86-F109 HydrophobicContact CD1-CB 4.5Å; L86-F109 HydrophobicContact CD1-CD1 4.4Å; L86-F109 HydrophobicContact CD1-CD2 4.06Å; L86-F109 HydrophobicContact CD1-CG 4.02Å; L86-F109 WeakPolarHBondContact O-CZ 3.47Å; L86-L116 HydrophobicContact CD1-CD2 3.51Å; L86-I120 HydrophobicContact CD1-CD1 4.2Å; L86-I120 HydrophobicContact CD1-CG1 4.38Å; L86-I120 HydrophobicContact CD2-CD1 4.34Å; L86-I137 HydrophobicContact CD1-CD1 4.19Å; L86-I137 HydrophobicContact CD2-CD1 4.5Å |
| 87 | N | 88.4 | Confident | 83.1 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 16% | 0.16 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 177.4 | -168.7 | 33.3 | 0 | 0 | 0 | 111.6 | P83 E84 E85 L89 A90 K91 F107 F109 | P83-N87 VanDerWaalsContact O-CB 3.31Å; P83-N87 WeakPolarHBondContact O-CB 3.32Å; P83-N87 PolarHBondContact O-N 2.9Å; E84-N87 WeakPolarHBondContact O-CB 3.38Å; E84-N87 PolarHBondContact O-N 3.37Å; E85-N87 VanDerWaalsContact C-N 3.3Å; E85-N87 PolarHBondContact O-N 2.93Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-A90 PolarHBondContact O-N 3.14Å; N87-K91 WeakPolarHBondContact O-CB 3.45Å; N87-K91 VanDerWaalsContact O-CG 3.25Å; N87-K91 WeakPolarHBondContact O-CG 3.39Å; N87-K91 PolarHBondContact O-N 3.5Å; N87-F107 PolarHBondContact OD1-N 3.21Å; N87-F109 HydrophobicContact CB-CE2 4.1Å; N87-F109 HydrophobicContact CB-CZ 4.32Å |
| 88 | I | 87.2 | Confident | 83.1 | Confident | 95 Ų | 95 | 68 Ų | 68 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.2 | -64.2 | 166.5 | 0 | 0 | 0 | 110.7 | E84 E85 K92 | E84-I88 WeakPolarHBondContact O-CG1 3.12Å; E84-I88 PolarHBondContact O-N 3.41Å; E84-I88 VanDerWaalsContact O-N 3.1Å; E85-I88 PolarHBondContact O-N 3.15Å; I88-K92 WeakPolarHBondContact O-CG 2.79Å; I88-K92 PolarHBondContact O-N 3.08Å; I88-K92 VanDerWaalsContact O-N 3.16Å |
| 89 | L | 85.7 | Confident | 83.1 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 27% | 0.272 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 177.3 | -70.8 | 170.7 | 0 | 0 | 0 | 112 | L77 E85 L86 N87 K91 K92 L93 | L77-L89 HydrophobicContact CD1-CD1 4.5Å; L77-L89 HydrophobicContact CD2-CD1 3.43Å; L77-L89 VanDerWaalsContact CD2-CD1 3.43Å; E85-L89 WeakPolarHBondContact O-CG 3.49Å; E85-L89 PolarHBondContact O-N 2.86Å; L86-L89 PolarHBondContact O-N 2.87Å; N87-L89 VanDerWaalsContact C-N 3.34Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.44Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.37Å; L89-K92 VanDerWaalsContact O-N 3.14Å; L89-L93 WeakPolarHBondContact O-CG 3.04Å; L89-L93 PolarHBondContact O-N 2.88Å |
| 90 | A | 85.2 | Confident | 83 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L86 N87 K92 L93 Y94 F107 F109 | L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.25Å; L86-A90 PolarHBondContact O-N 2.86Å; N87-A90 PolarHBondContact O-N 3.14Å; A90-K92 PolarHBondContact O-N 3.44Å; A90-L93 PolarHBondContact O-N 3.03Å; A90-Y94 VanDerWaalsContact O-CB 3.3Å; A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.16Å; A90-F107 HydrophobicContact CB-CB 4.36Å; A90-F107 HydrophobicContact CB-CD2 3.66Å; A90-F107 HydrophobicContact CB-CE2 4.2Å; A90-F107 HydrophobicContact CB-CG 4.12Å; A90-F109 HydrophobicContact CB-CE1 4.09Å; A90-F109 HydrophobicContact CB-CZ 4Å |
| 91 | K | 85.7 | Confident | 82.6 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 172.6 | -76.2 | 174.6 | 176.2 | -165.2 | 0 | 112.7 | N87 L89 Y94 S95 S103 K105 F107 | N87-K91 WeakPolarHBondContact O-CB 3.45Å; N87-K91 VanDerWaalsContact O-CG 3.25Å; N87-K91 WeakPolarHBondContact O-CG 3.39Å; N87-K91 PolarHBondContact O-N 3.5Å; L89-K91 VanDerWaalsContact C-N 3.31Å; L89-K91 PolarHBondContact O-N 3.44Å; K91-Y94 PolarHBondContact O-N 3.33Å; K91-S95 PolarHBondContact O-N 3.06Å; K91-S95 PolarHBondContact O-OG 3.07Å; K91-S103 PolarHBondContact NZ-O 2.57Å; K91-K105 WeakPolarHBondContact CE-O 3.5Å; K91-K105 PolarHBondContact NZ-O 3.44Å; K91-F107 HydrophobicContact CG-CD2 4.31Å; K91-F107 HydrophobicContact CG-CE2 4.03Å |
| 92 | K | 84.4 | Confident | 82.1 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.2 | -71.6 | 174.8 | -179.8 | -178.9 | 0 | 111.8 | I88 L89 A90 Y94 S95 D96 | I88-K92 WeakPolarHBondContact O-CG 2.79Å; I88-K92 PolarHBondContact O-N 3.08Å; I88-K92 VanDerWaalsContact O-N 3.16Å; L89-K92 WeakPolarHBondContact O-CB 3.15Å; L89-K92 PolarHBondContact O-N 3.37Å; L89-K92 VanDerWaalsContact O-N 3.14Å; A90-K92 PolarHBondContact O-N 3.44Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.47Å; K92-S95 WeakPolarHBondContact CA-OG 3.37Å; K92-S95 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-OG 3.15Å; K92-D96 PolarHBondContact O-N 2.97Å |
| 93 | L | 83.7 | Confident | 81.3 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.6 | -67.2 | 174.7 | 0 | 0 | 0 | 111.1 | F66 F70 L75 L89 A90 D96 F97 | F66-L93 HydrophobicContact CD2-CD1 4.21Å; F66-L93 HydrophobicContact CE2-CD1 4.3Å; F70-L93 HydrophobicContact CD1-CB 4.26Å; F70-L93 HydrophobicContact CE1-CB 4.08Å; F70-L93 HydrophobicContact CZ-CB 4.44Å; L75-L93 HydrophobicContact CD1-CD1 3.79Å; L75-L93 HydrophobicContact CD1-CD2 4.36Å; L75-L93 HydrophobicContact CD1-CG 4.47Å; L89-L93 WeakPolarHBondContact O-CG 3.04Å; L89-L93 PolarHBondContact O-N 2.88Å; A90-L93 PolarHBondContact O-N 3.03Å; L93-D96 PolarHBondContact O-N 3.16Å; L93-F97 HydrophobicContact CB-CD2 4.4Å; L93-F97 HydrophobicContact CB-CE2 4.42Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 WeakPolarHBondContact O-CD2 3.5Å; L93-F97 PolarHBondContact O-N 3.5Å |
| 94 | Y | 81.7 | Confident | 80.7 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 10% | 0.102 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 177.9 | -168.2 | -93.4 | 0 | 0 | 0 | 112.8 | F70 A90 K91 K92 D96 F97 H98 E102 F107 | F70-Y94 AromaticContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CD2 3.9Å; F70-Y94 HydrophobicContact CE1-CG 4.35Å; F70-Y94 HydrophobicContact CZ-CD2 4.22Å; A90-Y94 VanDerWaalsContact O-CB 3.3Å; A90-Y94 WeakPolarHBondContact O-CB 3.31Å; A90-Y94 PolarHBondContact O-N 3.16Å; K91-Y94 PolarHBondContact O-N 3.33Å; K92-Y94 VanDerWaalsContact C-N 3.27Å; K92-Y94 PolarHBondContact O-N 3.47Å; Y94-D96 VanDerWaalsContact C-N 3.29Å; Y94-D96 PolarHBondContact O-N 3.35Å; Y94-F97 PolarHBondContact O-N 3.25Å; Y94-H98 AromaticContact CD2-CD2 3.56Å; Y94-H98 HydrophobicContact CE1-CB 4.26Å; Y94-H98 AromaticContact CE2-CD2 3.36Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.23Å; Y94-H98 AromaticContact CE2-NE2 3.79Å; Y94-H98 AromaticContact CZ-CD2 3.87Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-N 3.01Å; Y94-E102 HydrophobicContact CD1-CB 4.27Å; Y94-E102 HydrophobicContact CE1-CB 3.89Å; Y94-E102 HydrophobicContact CE1-CG 3.77Å; Y94-E102 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E102 PolarHBondContact OH-OE2 3.12Å; Y94-F107 HydrophobicContact CD2-CZ 4.06Å; Y94-F107 HydrophobicContact CG-CZ 4.12Å |
| 95 | S | 83.2 | Confident | 80.3 | Confident | 30 Ų | 30 | 72.8 Ų | 72.8 | 21% | 0.21 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 172.4 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | K91 K92 G99 | K91-S95 PolarHBondContact O-N 3.06Å; K91-S95 PolarHBondContact O-OG 3.07Å; K92-S95 WeakPolarHBondContact CA-OG 3.37Å; K92-S95 PolarHBondContact O-N 2.79Å; K92-S95 PolarHBondContact O-OG 3.15Å; S95-G99 VanDerWaalsContact O-CA 3.3Å; S95-G99 WeakPolarHBondContact O-CA 3.26Å; S95-G99 PolarHBondContact O-N 3.46Å |
| 96 | D | 82.6 | Confident | 80.2 | Confident | 128 Ų | 128 | 74 Ų | 74 | 68% | 0.684 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | -179.7 | -67 | -13.4 | 0 | 0 | 0 | 112.3 | K92 L93 Y94 | K92-D96 PolarHBondContact O-N 2.97Å; L93-D96 PolarHBondContact O-N 3.16Å; Y94-D96 VanDerWaalsContact C-N 3.29Å; Y94-D96 PolarHBondContact O-N 3.35Å |
| 97 | F | 78.2 | Confident | 80.2 | Confident | 96 Ų | 96 | 74.4 Ų | 74.4 | 42% | 0.421 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -85.8 | -38.8 | -178.3 | -74.5 | -65.7 | 0 | 0 | 0 | 114.2 | F70 P71 L93 Y94 | F70-F97 HydrophobicContact CB-CE2 4.37Å; F70-F97 AromaticContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CD2 3.71Å; F70-F97 HydrophobicContact CD1-CE2 4.25Å; F70-F97 HydrophobicContact CE1-CD2 4.5Å; P71-F97 HydrophobicContact CG-CD1 3.9Å; P71-F97 HydrophobicContact CG-CE1 3.28Å; P71-F97 HydrophobicContact CG-CE2 4.17Å; P71-F97 HydrophobicContact CG-CZ 3.44Å; P71-F97 VanDerWaalsContact CG-CZ 3.44Å; L93-F97 HydrophobicContact CB-CD2 4.4Å; L93-F97 HydrophobicContact CB-CE2 4.42Å; L93-F97 HydrophobicContact CD2-CE2 4.43Å; L93-F97 WeakPolarHBondContact O-CD2 3.5Å; L93-F97 PolarHBondContact O-N 3.5Å; Y94-F97 PolarHBondContact O-N 3.25Å |
| 98 | H | 76.2 | Confident | 80.2 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.495 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -99.5 | -15.3 | -174.5 | -74.7 | -79.8 | 0 | 0 | 0 | 113.7 | Y94 V100 | Y94-H98 AromaticContact CD2-CD2 3.56Å; Y94-H98 HydrophobicContact CE1-CB 4.26Å; Y94-H98 AromaticContact CE2-CD2 3.36Å; Y94-H98 WeakPolarHBondContact CE2-CD2 3.23Å; Y94-H98 AromaticContact CE2-NE2 3.79Å; Y94-H98 AromaticContact CZ-CD2 3.87Å; Y94-H98 WeakPolarHBondContact O-CB 3.39Å; Y94-H98 PolarHBondContact O-N 3.01Å; H98-V100 PolarHBondContact O-N 2.91Å |
| 99 | G | 73.9 | Confident | 80.2 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 68% | 0.68 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 63.9 | 16.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S95 | S95-G99 VanDerWaalsContact O-CA 3.3Å; S95-G99 WeakPolarHBondContact O-CA 3.26Å; S95-G99 PolarHBondContact O-N 3.46Å |
| 100 | V | 75.1 | Confident | 80.3 | Confident | 79 Ų | 79 | 69.3 Ų | 69.3 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | trans | -121.7 | 121 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | H98 E102 | H98-V100 PolarHBondContact O-N 2.91Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 HydrophobicContact CG1-CG 3.97Å; V100-E102 PolarHBondContact O-N 2.93Å | ||
| 101 | D | 69.6 | Low | 80.3 | Confident | 136 Ų | 136 | 69.4 Ų | 69.4 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | trans | -75.7 | 83.5 | 175.7 | -67.1 | -35.8 | 0 | 0 | 0 | 110.3 | S103 | D101-S103 PolarHBondContact O-N 2.87Š| ||
| 102 | E | 67.7 | Low | 80.2 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | trans | -83.3 | 66.6 | 169.6 | -68.1 | -169.7 | 160.2 | 0 | 0 | 110.4 | Y94 V100 E104 K105 | Y94-E102 HydrophobicContact CD1-CB 4.27Å; Y94-E102 HydrophobicContact CE1-CB 3.89Å; Y94-E102 HydrophobicContact CE1-CG 3.77Å; Y94-E102 WeakPolarHBondContact CE1-OE2 3.44Å; Y94-E102 PolarHBondContact OH-OE2 3.12Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 HydrophobicContact CG1-CG 3.97Å; V100-E102 PolarHBondContact O-N 2.93Å; E102-E104 PolarHBondContact O-N 2.78Å; E102-E104 VanDerWaalsContact O-N 3.15Å; E102-K105 HydrophobicContact CB-CB 3.89Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-K105 WeakPolarHBondContact OE2-CD 3.5Å; E102-K105 IonicContact OE2-NZ 2.93Å | ||
| 103 | S | 69.6 | Low | 80.2 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -27.5 | 180 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | K91 D101 | K91-S103 PolarHBondContact NZ-O 2.57Å; D101-S103 PolarHBondContact O-N 2.87Å |
| 104 | E | 74.8 | Confident | 80.3 | Confident | 181 Ų | 181 | 77.6 Ų | 77.6 | 85% | 0.846 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17.5 | 179.7 | -62.8 | -173.9 | 172 | 0 | 0 | 113.9 | E102 Q106 | E102-E104 PolarHBondContact O-N 2.78Å; E102-E104 VanDerWaalsContact O-N 3.15Å; E104-Q106 PolarHBondContact O-N 3.1Å |
| 105 | K | 79.2 | Confident | 80.7 | Confident | 39 Ų | 39 | 78.6 Ų | 78.6 | 17% | 0.17 | 42% | 0.415 | C | S | . | . | trans | -71.8 | 129.3 | -175.9 | -170.8 | 161.4 | -177.5 | -178.9 | 0 | 110.2 | K91 E102 F107 D141 | K91-K105 WeakPolarHBondContact CE-O 3.5Å; K91-K105 PolarHBondContact NZ-O 3.44Å; E102-K105 HydrophobicContact CB-CB 3.89Å; E102-K105 WeakPolarHBondContact O-CB 3.32Å; E102-K105 PolarHBondContact O-N 3.45Å; E102-K105 WeakPolarHBondContact OE2-CD 3.5Å; E102-K105 IonicContact OE2-NZ 2.93Å; K105-F107 HydrophobicContact CB-CZ 4.44Å; K105-F107 HydrophobicContact CD-CE1 3.9Å; K105-F107 HydrophobicContact CD-CZ 3.76Å; K105-F107 HydrophobicContact CG-CE1 4Å; K105-F107 HydrophobicContact CG-CE2 4.3Å; K105-F107 HydrophobicContact CG-CZ 3.82Å; K105-D141 WeakPolarHBondContact CE-OD1 3.29Å; K105-D141 WeakPolarHBondContact CE-OD2 3.4Å; K105-D141 IonicContact NZ-OD1 2.91Å; K105-D141 PolarHBondContact NZ-OD1 2.91Å; K105-D141 IonicContact NZ-OD2 3.84Å; K105-D141 PolarHBondContact NZ-OD2 2.81Å | ||
| 106 | Q | 85.8 | Confident | 80.9 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | trans | -105.1 | 142.2 | 173.9 | -67.5 | -174.8 | 8.9 | 0 | 0 | 108.8 | E104 C142 | E104-Q106 PolarHBondContact O-N 3.1Å; Q106-C142 HydrophobicContact CB-CB 3.69Å; Q106-C142 WeakPolarHBondContact O-CB 3.24Å; Q106-C142 PolarHBondContact O-N 2.79Å | ||
| 107 | F | 86.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 80.2 Ų | 80.2 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.8 | 176.5 | -60.7 | -74.2 | 0 | 0 | 0 | 110.2 | L69 N87 A90 K91 Y94 K105 F109 C139 I140 | L69-F107 HydrophobicContact CD1-CD1 3.81Å; L69-F107 HydrophobicContact CD1-CE1 3.7Å; N87-F107 PolarHBondContact OD1-N 3.21Å; A90-F107 HydrophobicContact CB-CB 4.36Å; A90-F107 HydrophobicContact CB-CD2 3.66Å; A90-F107 HydrophobicContact CB-CE2 4.2Å; A90-F107 HydrophobicContact CB-CG 4.12Å; K91-F107 HydrophobicContact CG-CD2 4.31Å; K91-F107 HydrophobicContact CG-CE2 4.03Å; Y94-F107 HydrophobicContact CD2-CZ 4.06Å; Y94-F107 HydrophobicContact CG-CZ 4.12Å; K105-F107 HydrophobicContact CB-CZ 4.44Å; K105-F107 HydrophobicContact CD-CE1 3.9Å; K105-F107 HydrophobicContact CD-CZ 3.76Å; K105-F107 HydrophobicContact CG-CE1 4Å; K105-F107 HydrophobicContact CG-CE2 4.3Å; K105-F107 HydrophobicContact CG-CZ 3.82Å; F107-F109 HydrophobicContact CB-CE1 4.43Å; F107-F109 HydrophobicContact CB-CZ 4.03Å; F107-C139 VanDerWaalsContact CB-SG 3.55Å; F107-C139 WeakPolarHBondContact CD1-SG 3.39Å; F107-I140 CarbonylContact C-O 3.54Å; F107-I140 VanDerWaalsContact CA-O 3.24Å; F107-I140 WeakPolarHBondContact CA-O 3.08Å |
| 108 | D | 87.3 | Confident | 81.8 | Confident | 40 Ų | 40 | 78.4 Ų | 78.4 | 21% | 0.214 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 153.1 | 166.5 | -82.5 | -41.9 | 0 | 0 | 0 | 109.3 | L115 I140 C142 | D108-L115 HydrophobicContact CB-CD1 4.02Å; D108-I140 HydrophobicContact CB-CD1 3.67Å; D108-I140 HydrophobicContact CB-CG1 3.54Å; D108-I140 PolarHBondContact N-O 2.89Å; D108-I140 VanDerWaalsContact O-CG1 3.31Å; D108-I140 WeakPolarHBondContact O-CG1 3.37Å; D108-I140 PolarHBondContact O-N 3.37Å; D108-C142 PolarHBondContact OD2-SG 2.82Å |
| 109 | F | 88.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.009 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.6 | -175 | -58.7 | -73.5 | 0 | 0 | 0 | 110.5 | F66 P83 L86 N87 A90 F107 L115 L116 I137 E138 C139 | F66-F109 HydrophobicContact CE1-CD1 4.14Å; F66-F109 AromaticContact CE1-CE1 3.84Å; F66-F109 HydrophobicContact CE1-CE1 3.84Å; P83-F109 HydrophobicContact CB-CD2 4.24Å; P83-F109 WeakPolarHBondContact O-CE2 3.34Å; L86-F109 HydrophobicContact CB-CD1 4.26Å; L86-F109 HydrophobicContact CB-CD2 3.78Å; L86-F109 HydrophobicContact CB-CE1 3.89Å; L86-F109 HydrophobicContact CB-CE2 3.37Å; L86-F109 HydrophobicContact CB-CG 4.22Å; L86-F109 HydrophobicContact CB-CZ 3.45Å; L86-F109 VanDerWaalsContact CB-CZ 3.45Å; L86-F109 HydrophobicContact CD1-CB 4.5Å; L86-F109 HydrophobicContact CD1-CD1 4.4Å; L86-F109 HydrophobicContact CD1-CD2 4.06Å; L86-F109 HydrophobicContact CD1-CG 4.02Å; L86-F109 WeakPolarHBondContact O-CZ 3.47Å; N87-F109 HydrophobicContact CB-CE2 4.1Å; N87-F109 HydrophobicContact CB-CZ 4.32Å; A90-F109 HydrophobicContact CB-CE1 4.09Å; A90-F109 HydrophobicContact CB-CZ 4Å; F107-F109 HydrophobicContact CB-CE1 4.43Å; F107-F109 HydrophobicContact CB-CZ 4.03Å; F109-L115 WeakPolarHBondContact O-CA 3.48Å; F109-L116 HydrophobicContact CB-CB 4.15Å; F109-L116 HydrophobicContact CB-CD2 4.35Å; F109-L116 PolarHBondContact O-N 2.89Å; F109-I137 HydrophobicContact CB-CG2 3.79Å; F109-I137 HydrophobicContact CD1-CG2 3.74Å; F109-I137 HydrophobicContact CG-CG2 4.16Å; F109-E138 CarbonylContact C-O 3.56Å; F109-E138 WeakPolarHBondContact CA-O 3.44Å; F109-C139 HydrophobicContact CD1-CB 4.44Å; F109-C139 HydrophobicContact CE1-CB 4.34Å |
| 110 | L | 86.6 | Confident | 82.9 | Confident | 29 Ų | 29 | 71.2 Ų | 71.2 | 15% | 0.152 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.9 | 171.4 | -56.6 | 95.5 | 0 | 0 | 0 | 111.3 | V114 I137 E138 I140 | L110-V114 CarbonylContact C-O 3.56Å; L110-V114 VanDerWaalsContact CA-O 3.24Å; L110-V114 WeakPolarHBondContact CA-O 3.49Å; L110-I137 CarbonylContact O-C 3.51Å; L110-I137 WeakPolarHBondContact O-CA 3.39Å; L110-E138 HydrophobicContact CB-CB 4.24Å; L110-E138 HydrophobicContact CD1-CB 4.46Å; L110-E138 PolarHBondContact N-O 2.96Å; L110-E138 PolarHBondContact O-N 3.38Å; L110-I140 HydrophobicContact CD1-CB 4.16Å; L110-I140 HydrophobicContact CD1-CD1 3.68Å; L110-I140 HydrophobicContact CD1-CG1 3.6Å; L110-I140 HydrophobicContact CD1-CG2 3.46Å; L110-I140 VanDerWaalsContact CD1-CG2 3.46Å |
| 111 | I | 85.2 | Confident | 83.3 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.4 | 169.6 | -59.8 | 171.4 | 0 | 0 | 0 | 107 | K113 V114 L116 F123 L129 I135 I137 | I111-K113 PolarHBondContact O-N 3.37Å; I111-K113 VanDerWaalsContact O-N 3.12Å; I111-V114 PolarHBondContact N-O 2.78Å; I111-V114 WeakPolarHBondContact O-CB 3.39Å; I111-V114 PolarHBondContact O-N 3.34Å; I111-L116 HydrophobicContact CD1-CD1 3.93Å; I111-L116 HydrophobicContact CD1-CD2 4.32Å; I111-L116 HydrophobicContact CD1-CG 4.49Å; I111-F123 HydrophobicContact CB-CD1 4.15Å; I111-F123 HydrophobicContact CB-CE1 3.48Å; I111-F123 VanDerWaalsContact CB-CE1 3.48Å; I111-F123 HydrophobicContact CB-CE2 4.49Å; I111-F123 HydrophobicContact CB-CZ 3.67Å; I111-F123 HydrophobicContact CD1-CD1 3.64Å; I111-F123 HydrophobicContact CD1-CE1 3.91Å; I111-F123 HydrophobicContact CD1-CG 4.06Å; I111-F123 HydrophobicContact CD1-CZ 4.49Å; I111-F123 HydrophobicContact CG1-CD1 4.49Å; I111-F123 HydrophobicContact CG1-CE1 4.28Å; I111-F123 HydrophobicContact CG2-CD1 4.03Å; I111-F123 HydrophobicContact CG2-CE1 3.31Å; I111-F123 HydrophobicContact CG2-CZ 3.95Å; I111-L129 HydrophobicContact CG2-CD1 4.35Å; I111-I135 HydrophobicContact CD1-CG2 4Å; I111-I135 HydrophobicContact CG1-CG2 4.1Å; I111-I135 HydrophobicContact CG2-CG2 3.64Å; I111-I137 HydrophobicContact CD1-CD1 4.34Å; I111-I137 HydrophobicContact CD1-CG1 4.36Å; I111-I137 HydrophobicContact CG1-CD1 4.41Å; I111-I137 HydrophobicContact CG1-CG1 3.95Å |
| 112 | Q | 83.8 | Confident | 84.1 | Confident | 131 Ų | 131 | 65.8 Ų | 65.8 | 61% | 0.612 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 37.3 | -177.4 | -61.1 | -179.7 | -22.4 | 0 | 0 | 113.3 | V114 L129 | Q112-V114 PolarHBondContact O-N 3.12Å; Q112-L129 VanDerWaalsContact NE2-CD2 3.31Å |
| 113 | K | 84 | Confident | 85 | Confident | 175 Ų | 175 | 62.4 Ų | 62.4 | 76% | 0.761 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.9 | -176.1 | -47.6 | 176.3 | 179.6 | 178.9 | 0 | 115.2 | I111 | I111-K113 PolarHBondContact O-N 3.37Å; I111-K113 VanDerWaalsContact O-N 3.12Å |
| 114 | V | 87.2 | Confident | 85.8 | Confident | 70 Ų | 70 | 59 Ų | 59 | 42% | 0.424 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | L110 I111 Q112 L116 F123 | L110-V114 CarbonylContact C-O 3.56Å; L110-V114 VanDerWaalsContact CA-O 3.24Å; L110-V114 WeakPolarHBondContact CA-O 3.49Å; I111-V114 PolarHBondContact N-O 2.78Å; I111-V114 WeakPolarHBondContact O-CB 3.39Å; I111-V114 PolarHBondContact O-N 3.34Å; Q112-V114 PolarHBondContact O-N 3.12Å; V114-L116 PolarHBondContact O-N 3.27Å; V114-F123 HydrophobicContact CB-CE2 4.12Å; V114-F123 HydrophobicContact CB-CZ 4.06Å; V114-F123 HydrophobicContact CG1-CE2 3.89Å; V114-F123 HydrophobicContact CG1-CZ 4.31Å |
| 115 | L | 88.9 | Confident | 86.3 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.6 | -179.1 | -164 | 122.2 | 0 | 0 | 0 | 110.8 | D108 F109 R117 I140 | D108-L115 HydrophobicContact CB-CD1 4.02Å; F109-L115 WeakPolarHBondContact O-CA 3.48Å; L115-R117 HydrophobicContact CD2-CG 4.13Å; L115-R117 VanDerWaalsContact CD2-NH2 3.34Å; L115-R117 PolarHBondContact O-N 3.34Å; L115-I140 HydrophobicContact CD1-CD1 4.39Å |
| 116 | L | 88.5 | Confident | 86.7 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -73.1 | 115.2 | 179.5 | -178.5 | 66.8 | 0 | 0 | 0 | 109.8 | L86 F109 I111 V114 T118 I120 F123 | L86-L116 HydrophobicContact CD1-CD2 3.51Å; F109-L116 HydrophobicContact CB-CB 4.15Å; F109-L116 HydrophobicContact CB-CD2 4.35Å; F109-L116 PolarHBondContact O-N 2.89Å; I111-L116 HydrophobicContact CD1-CD1 3.93Å; I111-L116 HydrophobicContact CD1-CD2 4.32Å; I111-L116 HydrophobicContact CD1-CG 4.49Å; V114-L116 PolarHBondContact O-N 3.27Å; L116-T118 VanDerWaalsContact CD1-O 3.31Å; L116-T118 WeakPolarHBondContact CD1-O 2.79Å; L116-T118 WeakPolarHBondContact CG-O 3.33Å; L116-I120 HydrophobicContact CD2-CG1 4.22Å; L116-F123 HydrophobicContact CD1-CB 3.68Å; L116-F123 HydrophobicContact CD1-CD2 3.87Å; L116-F123 HydrophobicContact CD1-CG 3.86Å | ||
| 117 | R | 90.1 | Very high | 86.6 | Confident | 188 Ų | 188 | 56.7 Ų | 56.7 | 71% | 0.709 | 29% | 0.289 | S | S | * | . | trans | -110.4 | -20.7 | 176.5 | -66.8 | -63.5 | -168 | -163.5 | -3.8 | 113.4 | L115 | L115-R117 HydrophobicContact CD2-CG 4.13Å; L115-R117 VanDerWaalsContact CD2-NH2 3.34Å; L115-R117 PolarHBondContact O-N 3.34Å | ||
| 118 | T | 88.5 | Confident | 86.4 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -113.7 | -174.1 | -176.6 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | L116 | L116-T118 VanDerWaalsContact CD1-O 3.31Å; L116-T118 WeakPolarHBondContact CD1-O 2.79Å; L116-T118 WeakPolarHBondContact CG-O 3.33Å |
| 119 | S | 88.1 | Confident | 86 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | trans | -65.9 | 156.2 | 171.1 | 75.7 | 0 | 0 | 0 | 0 | 111.1 | G121 D122 F123 | S119-G121 PolarHBondContact O-N 3.05Å; S119-D122 PolarHBondContact O-N 3.35Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.43Å; S119-F123 WeakPolarHBondContact O-CB 3.2Å; S119-F123 PolarHBondContact O-N 3.14Å | ||
| 120 | I | 85.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57 | -41.1 | 176.8 | -64.2 | 168.7 | 0 | 0 | 0 | 110.5 | V64 L77 E79 A81 L86 L116 F123 V124 I135 I137 | V64-I120 HydrophobicContact CG2-CD1 4.37Å; L77-I120 HydrophobicContact CD1-CD1 4.14Å; E79-I120 PolarHBondContact O-N 3.34Å; A81-I120 HydrophobicContact CB-CD1 4.27Å; A81-I120 WeakPolarHBondContact O-CG1 3.46Å; A81-I120 PolarHBondContact O-N 3.33Å; L86-I120 HydrophobicContact CD1-CD1 4.2Å; L86-I120 HydrophobicContact CD1-CG1 4.38Å; L86-I120 HydrophobicContact CD2-CD1 4.34Å; L116-I120 HydrophobicContact CD2-CG1 4.22Å; I120-F123 PolarHBondContact O-N 3.08Å; I120-V124 HydrophobicContact CG2-CG2 4.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 3.49Å; I120-I135 HydrophobicContact CG2-CD1 3.79Å; I120-I137 HydrophobicContact CD1-CD1 4.22Å |
| 121 | G | 83.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 16% | 0.155 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E79 S119 F123 V124 V125 | E79-G121 PolarHBondContact O-N 2.73Å; S119-G121 PolarHBondContact O-N 3.05Å; G121-F123 VanDerWaalsContact C-N 3.32Å; G121-F123 PolarHBondContact O-N 3.05Å; G121-V124 PolarHBondContact O-N 3.17Å; G121-V125 WeakPolarHBondContact O-CG2 3.31Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.09Å |
| 122 | D | 86.9 | Confident | 83.6 | Confident | 85 Ų | 85 | 77.1 Ų | 77.1 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.9 | -59.3 | -40.7 | 0 | 0 | 0 | 110.8 | S119 V124 V125 D126 | S119-D122 PolarHBondContact O-N 3.35Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 3.43Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 2.96Å; D122-V125 PolarHBondContact O-N 3.42Å; D122-D126 WeakPolarHBondContact O-CB 3.24Å; D122-D126 VanDerWaalsContact O-CG 3.25Å; D122-D126 PolarHBondContact O-N 3.05Å |
| 123 | F | 86.6 | Confident | 83 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.035 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 178 | -174.3 | -85.3 | 0 | 0 | 0 | 112.6 | I111 V114 L116 S119 I120 G121 N127 L129 | I111-F123 HydrophobicContact CB-CD1 4.15Å; I111-F123 HydrophobicContact CB-CE1 3.48Å; I111-F123 VanDerWaalsContact CB-CE1 3.48Å; I111-F123 HydrophobicContact CB-CE2 4.49Å; I111-F123 HydrophobicContact CB-CZ 3.67Å; I111-F123 HydrophobicContact CD1-CD1 3.64Å; I111-F123 HydrophobicContact CD1-CE1 3.91Å; I111-F123 HydrophobicContact CD1-CG 4.06Å; I111-F123 HydrophobicContact CD1-CZ 4.49Å; I111-F123 HydrophobicContact CG1-CD1 4.49Å; I111-F123 HydrophobicContact CG1-CE1 4.28Å; I111-F123 HydrophobicContact CG2-CD1 4.03Å; I111-F123 HydrophobicContact CG2-CE1 3.31Å; I111-F123 HydrophobicContact CG2-CZ 3.95Å; V114-F123 HydrophobicContact CB-CE2 4.12Å; V114-F123 HydrophobicContact CB-CZ 4.06Å; V114-F123 HydrophobicContact CG1-CE2 3.89Å; V114-F123 HydrophobicContact CG1-CZ 4.31Å; L116-F123 HydrophobicContact CD1-CB 3.68Å; L116-F123 HydrophobicContact CD1-CD2 3.87Å; L116-F123 HydrophobicContact CD1-CG 3.86Å; S119-F123 WeakPolarHBondContact O-CB 3.2Å; S119-F123 PolarHBondContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 3.08Å; G121-F123 VanDerWaalsContact C-N 3.32Å; G121-F123 PolarHBondContact O-N 3.05Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.31Å; F123-N127 HydrophobicContact CE1-CB 4.37Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F123-N127 VanDerWaalsContact CE2-ND2 3.3Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.33Å; F123-N127 VanDerWaalsContact CZ-ND2 3.26Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.23Å; F123-N127 WeakPolarHBondContact O-CB 3.36Å; F123-N127 PolarHBondContact O-N 3.42Å; F123-N127 PolarHBondContact O-ND2 3.1Å; F123-L129 HydrophobicContact CD1-CD1 4.1Å; F123-L129 HydrophobicContact CE1-CD1 3.92Å |
| 124 | V | 85 | Confident | 82.6 | Confident | 19 Ų | 19 | 69 Ų | 69 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.4 | 165.8 | 0 | 0 | 0 | 0 | 110.9 | I120 G121 D122 N128 L129 I135 | I120-V124 HydrophobicContact CG2-CG2 4.34Å; I120-V124 VanDerWaalsContact O-CG2 3.24Å; I120-V124 WeakPolarHBondContact O-CG2 3.38Å; I120-V124 PolarHBondContact O-N 3.49Å; G121-V124 PolarHBondContact O-N 3.17Å; D122-V124 VanDerWaalsContact C-N 3.32Å; D122-V124 PolarHBondContact O-N 2.96Å; V124-N128 PolarHBondContact O-N 3.48Å; V124-N128 VanDerWaalsContact O-N 3.1Å; V124-L129 HydrophobicContact CB-CB 4.41Å; V124-L129 HydrophobicContact CG1-CB 4.07Å; V124-L129 WeakPolarHBondContact CG1-O 3.46Å; V124-L129 HydrophobicContact CG2-CB 4.38Å; V124-L129 HydrophobicContact CG2-CD1 4.38Å; V124-L129 PolarHBondContact O-N 3.29Å; V124-I135 HydrophobicContact CG2-CD1 3.36Å |
| 125 | V | 86 | Confident | 82.2 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.8 | -48.4 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | G121 D122 N127 N128 | G121-V125 WeakPolarHBondContact O-CG2 3.31Å; G121-V125 PolarHBondContact O-N 3.34Å; G121-V125 VanDerWaalsContact O-N 3.09Å; D122-V125 PolarHBondContact O-N 3.42Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.83Å; V125-N128 PolarHBondContact O-N 3.4Å |
| 126 | D | 87.4 | Confident | 81.9 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 61% | 0.61 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -36.3 | -177.4 | -72.9 | -18.7 | 0 | 0 | 0 | 112.6 | D122 | D122-D126 WeakPolarHBondContact O-CB 3.24Å; D122-D126 VanDerWaalsContact O-CG 3.25Å; D122-D126 PolarHBondContact O-N 3.05Å |
| 127 | N | 84.5 | Confident | 81.7 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.7 | -179.9 | -65.5 | -81.7 | 0 | 0 | 0 | 113.6 | F123 V125 L129 | F123-N127 WeakPolarHBondContact CD2-ND2 3.31Å; F123-N127 HydrophobicContact CE1-CB 4.37Å; F123-N127 WeakPolarHBondContact CE1-ND2 3.45Å; F123-N127 VanDerWaalsContact CE2-ND2 3.3Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.33Å; F123-N127 VanDerWaalsContact CZ-ND2 3.26Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.23Å; F123-N127 WeakPolarHBondContact O-CB 3.36Å; F123-N127 PolarHBondContact O-N 3.42Å; F123-N127 PolarHBondContact O-ND2 3.1Å; V125-N127 VanDerWaalsContact C-N 3.32Å; V125-N127 PolarHBondContact O-N 2.83Å; N127-L129 HydrophobicContact CB-CD1 4.47Å; N127-L129 HydrophobicContact CB-CG 4.03Å; N127-L129 PolarHBondContact O-N 3Å |
| 128 | N | 81.6 | Confident | 81.4 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 79% | 0.786 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.1 | -175.9 | -63.5 | -75.3 | 0 | 0 | 0 | 113.2 | V124 V125 | V124-N128 PolarHBondContact O-N 3.48Å; V124-N128 VanDerWaalsContact O-N 3.1Å; V125-N128 PolarHBondContact O-N 3.4Å |
| 129 | L | 78.8 | Confident | 81.2 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | trans | -75.8 | 138.7 | 176 | -61.8 | 179.1 | 0 | 0 | 0 | 109.7 | I111 Q112 F123 V124 N127 S131 | I111-L129 HydrophobicContact CG2-CD1 4.35Å; Q112-L129 VanDerWaalsContact NE2-CD2 3.31Å; F123-L129 HydrophobicContact CD1-CD1 4.1Å; F123-L129 HydrophobicContact CE1-CD1 3.92Å; V124-L129 HydrophobicContact CB-CB 4.41Å; V124-L129 HydrophobicContact CG1-CB 4.07Å; V124-L129 WeakPolarHBondContact CG1-O 3.46Å; V124-L129 HydrophobicContact CG2-CB 4.38Å; V124-L129 HydrophobicContact CG2-CD1 4.38Å; V124-L129 PolarHBondContact O-N 3.29Å; N127-L129 HydrophobicContact CB-CD1 4.47Å; N127-L129 HydrophobicContact CB-CG 4.03Å; N127-L129 PolarHBondContact O-N 3Å; L129-S131 PolarHBondContact O-N 2.83Å | ||
| 130 | P | 74.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 58.5 Ų | 58.5 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | trans | -67.2 | 128.7 | 175.9 | 25.2 | -30 | 0 | 0 | 0 | 109.4 | E132 N133 | P130-E132 PolarHBondContact O-N 2.91Å; P130-E132 VanDerWaalsContact O-N 3.16Å; P130-N133 HydrophobicContact CG-CB 3.9Å; P130-N133 VanDerWaalsContact CG-ND2 3.32Å; P130-N133 WeakPolarHBondContact CG-ND2 3.5Å; P130-N133 WeakPolarHBondContact O-CB 3.24Å; P130-N133 PolarHBondContact O-N 3.21Å | ||
| 131 | S | 65.7 | Low | 81 | Confident | 76 Ų | 76 | 61.2 Ų | 61.2 | 53% | 0.531 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.6 | -178.3 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | L129 N133 | L129-S131 PolarHBondContact O-N 2.83Å; S131-N133 VanDerWaalsContact C-N 3.32Å |
| 132 | E | 71 | Confident | 81 | Confident | 185 Ų | 185 | 62 Ų | 62 | 86% | 0.864 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.1 | 177.6 | -60.5 | -174.5 | 167.5 | 0 | 0 | 113.2 | P130 | P130-E132 PolarHBondContact O-N 2.91Å; P130-E132 VanDerWaalsContact O-N 3.16Å |
| 133 | N | 71.3 | Confident | 80.6 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83 | 148.2 | -179.9 | -98.4 | -4.5 | 0 | 0 | 0 | 112.9 | P130 S131 I135 | P130-N133 HydrophobicContact CG-CB 3.9Å; P130-N133 VanDerWaalsContact CG-ND2 3.32Å; P130-N133 WeakPolarHBondContact CG-ND2 3.5Å; P130-N133 WeakPolarHBondContact O-CB 3.24Å; P130-N133 PolarHBondContact O-N 3.21Å; S131-N133 VanDerWaalsContact C-N 3.32Å; N133-I135 PolarHBondContact O-N 3.26Å |
| 134 | V | 74.5 | Confident | 80.2 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 21% | 0.212 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 122.2 | 165.6 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | L63 I65 | L63-V134 HydrophobicContact CB-CG1 4.12Å; L63-V134 HydrophobicContact CB-CG2 4.19Å; L63-V134 HydrophobicContact CD2-CB 4.37Å; L63-V134 HydrophobicContact CD2-CG1 3.72Å; L63-V134 HydrophobicContact CD2-CG2 3.74Å; L63-V134 HydrophobicContact CG-CG1 4.04Å; L63-V134 HydrophobicContact CG-CG2 4.49Å; I65-V134 HydrophobicContact CD1-CG1 3.55Å; I65-V134 HydrophobicContact CG1-CG1 3.68Å |
| 135 | I | 80.2 | Confident | 80 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 6% | 0.056 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.2 | 179.8 | -57.3 | 173.9 | 0 | 0 | 0 | 108.2 | A62 L63 V64 I65 I111 I120 V124 N133 I137 | A62-I135 HydrophobicContact CB-CD1 4.21Å; L63-I135 PolarHBondContact O-N 3.5Å; V64-I135 VanDerWaalsContact CA-O 3.24Å; V64-I135 WeakPolarHBondContact CA-O 3.43Å; I65-I135 PolarHBondContact N-O 2.77Å; I65-I135 VanDerWaalsContact N-O 3.08Å; I111-I135 HydrophobicContact CD1-CG2 4Å; I111-I135 HydrophobicContact CG1-CG2 4.1Å; I111-I135 HydrophobicContact CG2-CG2 3.64Å; I120-I135 HydrophobicContact CG2-CD1 3.79Å; V124-I135 HydrophobicContact CG2-CD1 3.36Å; N133-I135 PolarHBondContact O-N 3.26Å; I135-I137 HydrophobicContact CG2-CG1 4.11Å; I135-I137 PolarHBondContact O-N 3.34Å |
| 136 | V | 82.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 73.1 Ų | 73.1 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.6 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | R67 | R67-V136 VanDerWaalsContact CD-CG1 3.48Å; R67-V136 HydrophobicContact CG-CG1 3.82Å |
| 137 | I | 82.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 115.4 | 176.7 | -56.9 | -168.4 | 0 | 0 | 0 | 108.5 | V64 I65 F66 L86 F109 L110 I111 I120 I135 | V64-I137 HydrophobicContact CB-CD1 4.19Å; V64-I137 HydrophobicContact CB-CG1 4.42Å; V64-I137 HydrophobicContact CG1-CB 3.84Å; V64-I137 HydrophobicContact CG1-CD1 3.43Å; V64-I137 VanDerWaalsContact CG1-CD1 3.43Å; V64-I137 HydrophobicContact CG1-CG1 3.53Å; V64-I137 HydrophobicContact CG2-CD1 3.67Å; V64-I137 HydrophobicContact CG2-CG1 4.17Å; I65-I137 CarbonylContact O-C 3.54Å; I65-I137 PolarHBondContact O-N 3.5Å; F66-I137 WeakPolarHBondContact CA-O 3.31Å; F66-I137 HydrophobicContact CE1-CG2 4.41Å; L86-I137 HydrophobicContact CD1-CD1 4.19Å; L86-I137 HydrophobicContact CD2-CD1 4.5Å; F109-I137 HydrophobicContact CB-CG2 3.79Å; F109-I137 HydrophobicContact CD1-CG2 3.74Å; F109-I137 HydrophobicContact CG-CG2 4.16Å; L110-I137 CarbonylContact O-C 3.51Å; L110-I137 WeakPolarHBondContact O-CA 3.39Å; I111-I137 HydrophobicContact CD1-CD1 4.34Å; I111-I137 HydrophobicContact CD1-CG1 4.36Å; I111-I137 HydrophobicContact CG1-CD1 4.41Å; I111-I137 HydrophobicContact CG1-CG1 3.95Å; I120-I137 HydrophobicContact CD1-CD1 4.22Å; I135-I137 HydrophobicContact CG2-CG1 4.11Å; I135-I137 PolarHBondContact O-N 3.34Å |
| 138 | E | 84.6 | Confident | 79.3 | Confident | 60 Ų | 60 | 77 Ų | 77 | 28% | 0.28 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 133.6 | 170.1 | -64 | 173.7 | -166.5 | 0 | 0 | 108.8 | T68 F109 L110 | T68-E138 HydrophobicContact CG2-CB 4.05Å; T68-E138 HydrophobicContact CG2-CG 4.06Å; F109-E138 CarbonylContact C-O 3.56Å; F109-E138 WeakPolarHBondContact CA-O 3.44Å; L110-E138 HydrophobicContact CB-CB 4.24Å; L110-E138 HydrophobicContact CD1-CB 4.46Å; L110-E138 PolarHBondContact N-O 2.96Å; L110-E138 PolarHBondContact O-N 3.38Å |
| 139 | C | 84.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.2 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | F66 T68 L69 F70 F107 F109 | F66-C139 HydrophobicContact CD1-CB 3.96Å; F66-C139 HydrophobicContact CE1-CB 4.46Å; T68-C139 WeakPolarHBondContact CB-O 3.47Å; T68-C139 PolarHBondContact OG1-N 3.24Å; T68-C139 PolarHBondContact OG1-O 3.33Å; L69-C139 HydrophobicContact CD1-CB 4.48Å; L69-C139 VanDerWaalsContact CD1-O 3.32Å; L69-C139 WeakPolarHBondContact CD1-O 3.43Å; L69-C139 WeakPolarHBondContact CG-O 3.41Å; F70-C139 HydrophobicContact CE2-CB 4.14Å; F107-C139 VanDerWaalsContact CB-SG 3.55Å; F107-C139 WeakPolarHBondContact CD1-SG 3.39Å; F109-C139 HydrophobicContact CD1-CB 4.44Å; F109-C139 HydrophobicContact CE1-CB 4.34Å |
| 140 | I | 84.5 | Confident | 78.9 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 31% | 0.313 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.8 | -179.7 | 57.5 | 158 | 0 | 0 | 0 | 110 | F107 D108 L110 L115 C142 | F107-I140 CarbonylContact C-O 3.54Å; F107-I140 VanDerWaalsContact CA-O 3.24Å; F107-I140 WeakPolarHBondContact CA-O 3.08Å; D108-I140 HydrophobicContact CB-CD1 3.67Å; D108-I140 HydrophobicContact CB-CG1 3.54Å; D108-I140 PolarHBondContact N-O 2.89Å; D108-I140 VanDerWaalsContact O-CG1 3.31Å; D108-I140 WeakPolarHBondContact O-CG1 3.37Å; D108-I140 PolarHBondContact O-N 3.37Å; L110-I140 HydrophobicContact CD1-CB 4.16Å; L110-I140 HydrophobicContact CD1-CD1 3.68Å; L110-I140 HydrophobicContact CD1-CG1 3.6Å; L110-I140 HydrophobicContact CD1-CG2 3.46Å; L110-I140 VanDerWaalsContact CD1-CG2 3.46Å; L115-I140 HydrophobicContact CD1-CD1 4.39Å; I140-C142 PolarHBondContact O-N 3.47Å |
| 141 | D | 84.4 | Confident | 79.2 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 121.8 | 171.5 | -71.1 | -1.3 | 0 | 0 | 0 | 108.9 | L69 K105 E143 | L69-D141 VanDerWaalsContact CD1-OD1 3.26Å; L69-D141 WeakPolarHBondContact CD1-OD1 3.26Å; K105-D141 WeakPolarHBondContact CE-OD1 3.29Å; K105-D141 WeakPolarHBondContact CE-OD2 3.4Å; K105-D141 IonicContact NZ-OD1 2.91Å; K105-D141 PolarHBondContact NZ-OD1 2.91Å; K105-D141 IonicContact NZ-OD2 3.84Å; K105-D141 PolarHBondContact NZ-OD2 2.81Å; D141-E143 PolarHBondContact O-N 3.01Å |
| 142 | C | 83.8 | Confident | 79.9 | Confident | 33 Ų | 33 | 88.5 Ų | 88.5 | 22% | 0.223 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 124.4 | 174 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | Q106 D108 I140 | Q106-C142 HydrophobicContact CB-CB 3.69Å; Q106-C142 WeakPolarHBondContact O-CB 3.24Å; Q106-C142 PolarHBondContact O-N 2.79Å; D108-C142 PolarHBondContact OD2-SG 2.82Å; I140-C142 PolarHBondContact O-N 3.47Å |
| 143 | E | 77.8 | Confident | 80.6 | Confident | 142 Ų | 142 | 85.7 Ų | 85.7 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 132.6 | 172.3 | -65.4 | -151.4 | 154.6 | 0 | 0 | 110 | D141 | D141-E143 PolarHBondContact O-N 3.01Š|
| 144 | P | 77.6 | Confident | 81.2 | Confident | 101 Ų | 101 | 87.3 Ų | 87.3 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 144.3 | 175.7 | 28 | -34.2 | 0 | 0 | 0 | 109.7 | ||
| 145 | A | 81.5 | Confident | 81.8 | Confident | 80 Ų | 80 | 96.2 Ų | 96.2 | 66% | 0.661 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 138.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | D147 | A145-D147 PolarHBondContact O-N 2.84Š|
| 146 | P | 82.8 | Confident | 82.3 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 82% | 0.818 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 120.1 | 179.7 | 27.5 | -33.3 | 0 | 0 | 0 | 110 | ||
| 147 | D | 78.2 | Confident | 82.7 | Confident | 133 Ų | 133 | 111 Ų | 111 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 137.9 | 173 | -67.6 | -50 | 0 | 0 | 0 | 110.9 | A145 C149 | A145-D147 PolarHBondContact O-N 2.84Å; D147-C149 PolarHBondContact O-N 3.47Å; D147-C149 PolarHBondContact O-SG 2.83Å |
| 148 | P | 83.4 | Confident | 82.6 | Confident | 131 Ų | 131 | 115.4 Ų | 115.4 | 85% | 0.851 | 63% | 0.625 | S | S | * | * | trans | -68.8 | 100.8 | 173.7 | 28.4 | -32.9 | 0 | 0 | 0 | 109.7 | ||||
| 149 | C | 73.1 | Confident | 82.7 | Confident | 99 Ų | 99 | 119 Ų | 119 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -79.6 | -47.9 | -178.5 | -57.2 | 0 | 0 | 0 | 0 | 113 | D147 | D147-C149 PolarHBondContact O-N 3.47Å; D147-C149 PolarHBondContact O-SG 2.83Å | ||
| 150 | F | 76.9 | Confident | 82.6 | Confident | 197 Ų | 197 | 121.7 Ų | 121.7 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | -146.8 | 149.2 | -172.5 | -61.5 | -79.7 | 0 | 0 | 0 | 111.2 | ||||
| 151 | S | 80.8 | Confident | 82.3 | Confident | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -120.3 | 130.7 | 168.9 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | P153 | S151-P153 WeakPolarHBondContact O-CD 3.3Š| ||
| 152 | L | 80 | Confident | 82.2 | Confident | 161 Ų | 161 | 133.4 Ų | 133.4 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | -99.4 | 108.1 | 177.5 | -67.6 | 173.9 | 0 | 0 | 0 | 108.5 | H154 | L152-H154 PolarHBondContact O-N 2.95Š| ||
| 153 | P | 86.4 | Confident | 81.6 | Confident | 125 Ų | 125 | 136.4 Ų | 136.4 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -69.3 | 130.8 | -179.7 | 27.7 | -33.2 | 0 | 0 | 0 | 110.4 | S151 | S151-P153 WeakPolarHBondContact O-CD 3.3Š| ||
| 154 | H | 84.4 | Confident | 81.7 | Confident | 135 Ų | 135 | 132.8 Ų | 132.8 | 63% | 0.625 | 75% | 0.749 | S | S | * | * | trans | -128.5 | 144.5 | 174.1 | -156.6 | -94.2 | 0 | 0 | 0 | 109.5 | L152 D156 V158 | L152-H154 PolarHBondContact O-N 2.95Å; H154-D156 VanDerWaalsContact C-N 3.29Å; H154-D156 PolarHBondContact ND1-N 3.39Å; H154-D156 PolarHBondContact ND1-O 3.29Å; H154-D156 PolarHBondContact O-N 3.33Å; H154-V158 HydrophobicContact CB-CG2 4.05Å | ||
| 155 | K | 86.9 | Confident | 81 | Confident | 221 Ų | 221 | 132.9 Ų | 132.9 | 96% | 0.961 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -76.6 | -18.1 | -176.5 | -69.1 | -174.9 | 178.6 | -179.2 | 0 | 113.7 | ||
| 156 | D | 91.8 | Very high | 79.9 | Confident | 120 Ų | 120 | 136.2 Ų | 136.2 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -137.6 | 170.1 | -176.3 | -161.3 | -0 | 0 | 0 | 0 | 109.4 | H154 | H154-D156 VanDerWaalsContact C-N 3.29Å; H154-D156 PolarHBondContact ND1-N 3.39Å; H154-D156 PolarHBondContact ND1-O 3.29Å; H154-D156 PolarHBondContact O-N 3.33Å |
| 157 | W | 90.5 | Very high | 78.4 | Confident | 239 Ų | 239 | 133.9 Ų | 133.9 | 91% | 0.905 | 74% | 0.744 | S | S | * | * | trans | -63.1 | 137.3 | -179.5 | -65.8 | -5.7 | 0 | 0 | 0 | 112.4 | S159 | W157-S159 PolarHBondContact O-N 2.99Š| ||
| 158 | V | 81 | Confident | 76.7 | Confident | 92 Ų | 92 | 134.9 Ų | 134.9 | 56% | 0.558 | 74% | 0.743 | S | S | * | * | trans | -85.6 | 112.5 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | H154 G160 V161 | H154-V158 HydrophobicContact CB-CG2 4.05Å; V158-G160 WeakPolarHBondContact CG1-O 3.4Å; V158-V161 HydrophobicContact CG1-CG2 3.99Å | ||
| 159 | S | 86.9 | Confident | 74.5 | Confident | 136 Ų | 136 | 134.3 Ų | 134.3 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | trans | -84.3 | -11.1 | -177.2 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | W157 | W157-S159 PolarHBondContact O-N 2.99Š| ||
| 160 | G | 81.7 | Confident | 73.1 | Confident | 56 Ų | 56 | 141.2 Ų | 141.2 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | trans | -169.8 | 150.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | V158 | V158-G160 WeakPolarHBondContact CG1-O 3.4Š| ||
| 161 | V | 79.4 | Confident | 71.5 | Confident | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | -126.1 | 136.3 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 108 | V158 | V158-V161 HydrophobicContact CG1-CG2 3.99Š| ||
| 162 | R | 80.9 | Confident | 69.5 | Low | 242 Ų | 242 | 146.1 Ų | 146.1 | 91% | 0.913 | 75% | 0.747 | S | S | * | * | trans | -126.7 | 128.7 | 174.1 | -71.4 | -73.3 | -171.7 | 176.5 | -1.5 | 108.3 | ||||
| 163 | C | 72.1 | Confident | 67.7 | Low | 97 Ų | 97 | 142.7 Ų | 142.7 | 66% | 0.655 | 74% | 0.741 | S | S | * | * | trans | -91.8 | 129.8 | 168.7 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 164 | A | 79.1 | Confident | 65.4 | Low | 66 Ų | 66 | 144 Ų | 144 | 55% | 0.545 | 74% | 0.738 | S | S | . | * | trans | -73.1 | 130.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | D166 C167 | A164-D166 PolarHBondContact O-N 3.32Å; A164-C167 PolarHBondContact O-N 3.28Å; A164-C167 PolarHBondContact O-SG 3.45Å | ||
| 165 | S | 63.6 | Low | 63.5 | Low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -16.1 | -175.8 | 43.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 166 | D | 57.6 | Low | 61 | Low | 149 Ų | 149 | 139 Ų | 139 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -0.5 | -164.5 | -50.6 | -16.5 | 0 | 0 | 0 | 112.3 | A164 | A164-D166 PolarHBondContact O-N 3.32Š|
| 167 | C | 51.8 | Low | 58.6 | Low | 77 Ų | 77 | 136.7 Ų | 136.7 | 52% | 0.52 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -98.8 | -3.9 | -175.1 | 66.7 | 0 | 0 | 0 | 0 | 116.1 | A164 | A164-C167 PolarHBondContact O-N 3.28Å; A164-C167 PolarHBondContact O-SG 3.45Å |
| 168 | F | 42.9 | Very low | 56.4 | Low | 154 Ų | 154 | 129.7 Ų | 129.7 | 68% | 0.675 | 71% | 0.71 | S | S | * | * | trans | -117.4 | 104.8 | 177.4 | -66.6 | -75.5 | 0 | 0 | 0 | 111.9 | R170 | F168-R170 PolarHBondContact O-N 3.09Š| ||
| 169 | P | 37.5 | Very low | 54.7 | Low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | trans | -88.4 | 83 | 171.3 | 33.2 | -28 | 0 | 0 | 0 | 109.1 | ||||
| 170 | R | 43.7 | Very low | 52.7 | Low | 244 Ų | 244 | 128.5 Ų | 128.5 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -167 | 132.3 | 159.8 | -107.1 | 161 | -160.6 | -118.3 | 5.5 | 114.1 | F168 | F168-R170 PolarHBondContact O-N 3.09Š| ||
| 171 | R | 42.8 | Very low | 50.9 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 59% | 0.589 | 68% | 0.683 | S | S | * | * | trans | 73.3 | 110.5 | 178.4 | -66.3 | -162.6 | -138.9 | -143.9 | 7.5 | 118.9 | A173 | R171-A173 VanDerWaalsContact C-N 3.33Å; R171-A173 PolarHBondContact O-N 3.31Å; R171-A173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | R | 39.1 | Very low | 49.6 | Very low | 254 Ų | 254 | 130.9 Ų | 130.9 | 96% | 0.958 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 16.6 | -163 | -138 | 178.9 | -122.1 | 146.8 | -2.6 | 116.9 | ||
| 173 | A | 40.9 | Very low | 48.4 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | -14.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R171 | R171-A173 VanDerWaalsContact C-N 3.33Å; R171-A173 PolarHBondContact O-N 3.31Å; R171-A173 VanDerWaalsContact O-N 3.12Å |
| 174 | M | 38.8 | Very low | 47.4 | Very low | 152 Ų | 152 | 128 Ų | 128 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -94.8 | -14 | -171.9 | -147.7 | 154.1 | 176.6 | 0 | 0 | 114.4 | E176 | M174-E176 PolarHBondContact O-N 2.87Š|
| 175 | T | 43.8 | Very low | 46.3 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.2 | -25.1 | -176.3 | -22 | 0 | 0 | 0 | 0 | 113.4 | T179 | T175-T179 WeakPolarHBondContact O-CG2 3.45Å; T175-T179 PolarHBondContact O-N 3.06Å; T175-T179 PolarHBondContact O-OG1 3.36Å |
| 176 | E | 35.6 | Very low | 46 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 71% | 0.71 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78.6 | -31.8 | -179.4 | -65 | -173.5 | 170.3 | 0 | 0 | 112.6 | M174 T179 L180 | M174-E176 PolarHBondContact O-N 2.87Å; E176-T179 PolarHBondContact O-OG1 3.2Å; E176-L180 PolarHBondContact O-N 2.86Å |
| 177 | A | 40.8 | Very low | 46.1 | Very low | 72 Ų | 72 | 132.1 Ų | 132.1 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.7 | -37.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G181 | A177-G181 PolarHBondContact O-N 3.47Å |
| 178 | C | 44.4 | Very low | 46.3 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -75.5 | -29 | 178.9 | -73.4 | 0 | 0 | 0 | 0 | 113.4 | R182 | C178-R182 PolarHBondContact O-N 3.26Å |
| 179 | T | 44.9 | Very low | 47.3 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.4 | -37.9 | 177.1 | 45.4 | 0 | 0 | 0 | 0 | 112 | T175 E176 R182 W183 | T175-T179 WeakPolarHBondContact O-CG2 3.45Å; T175-T179 PolarHBondContact O-N 3.06Å; T175-T179 PolarHBondContact O-OG1 3.36Å; E176-T179 PolarHBondContact O-OG1 3.2Å; T179-R182 PolarHBondContact O-N 3.22Å; T179-W183 PolarHBondContact O-N 2.64Å |
| 180 | L | 45.6 | Very low | 48.3 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.4 | -41.5 | 173.9 | -79.1 | 167.6 | 0 | 0 | 0 | 112.6 | E176 R182 W183 L184 | E176-L180 PolarHBondContact O-N 2.86Å; L180-R182 VanDerWaalsContact C-N 3.34Å; L180-R182 PolarHBondContact O-N 3.2Å; L180-W183 PolarHBondContact O-N 2.97Å; L180-L184 PolarHBondContact O-N 3.1Å |
| 181 | G | 44.7 | Very low | 48.9 | Very low | 37 Ų | 37 | 119.6 Ų | 119.6 | 38% | 0.381 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.8 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A177 L184 L185 | A177-G181 PolarHBondContact O-N 3.47Å; G181-L184 PolarHBondContact O-N 3.18Å; G181-L185 PolarHBondContact O-N 2.85Å; G181-L185 VanDerWaalsContact O-N 3.08Å |
| 182 | R | 50.5 | Low | 49.6 | Very low | 190 Ų | 190 | 121 Ų | 121 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.5 | -31 | 178.9 | -152.8 | 162.8 | -157.9 | -145.1 | 0.2 | 112.9 | C178 T179 L180 N186 | C178-R182 PolarHBondContact O-N 3.26Å; T179-R182 PolarHBondContact O-N 3.22Å; L180-R182 VanDerWaalsContact C-N 3.34Å; L180-R182 PolarHBondContact O-N 3.2Å; R182-N186 WeakPolarHBondContact O-CB 3.46Å; R182-N186 PolarHBondContact O-N 3.23Å; R182-N186 VanDerWaalsContact O-N 3.14Å |
| 183 | W | 56.2 | Low | 50.2 | Low | 168 Ų | 168 | 116.4 Ų | 116.4 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.9 | -40.8 | 172.4 | -142 | 88.6 | 0 | 0 | 0 | 111.4 | T179 L180 R187 | T179-W183 PolarHBondContact O-N 2.64Å; L180-W183 PolarHBondContact O-N 2.97Å; W183-R187 WeakPolarHBondContact O-CB 3.38Å; W183-R187 PolarHBondContact O-N 3.25Å |
| 184 | L | 50.8 | Low | 50.8 | Low | 111 Ų | 111 | 118 Ų | 118 | 58% | 0.581 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.3 | -40.6 | 178.7 | -125.2 | 132.8 | 0 | 0 | 0 | 112.7 | L180 G181 R187 L188 | L180-L184 PolarHBondContact O-N 3.1Å; G181-L184 PolarHBondContact O-N 3.18Å; L184-R187 PolarHBondContact O-N 3.44Å; L184-L188 HydrophobicContact CD2-CD1 3.98Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.32Å |
| 185 | L | 56.5 | Low | 51.2 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 176 | -86.8 | 160.6 | 0 | 0 | 0 | 112.6 | G181 L188 A189 | G181-L185 PolarHBondContact O-N 2.85Å; G181-L185 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 3.5Å; L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.42Å |
| 186 | N | 57.4 | Low | 51.6 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.1 | -31.7 | 176.8 | -77.6 | -17.4 | 0 | 0 | 0 | 112.5 | R182 S190 | R182-N186 WeakPolarHBondContact O-CB 3.46Å; R182-N186 PolarHBondContact O-N 3.23Å; R182-N186 VanDerWaalsContact O-N 3.14Å; N186-S190 WeakPolarHBondContact O-CB 3.46Å; N186-S190 PolarHBondContact O-N 3.43Å |
| 187 | R | 58.9 | Low | 52.1 | Low | 168 Ų | 168 | 131.3 Ų | 131.3 | 63% | 0.634 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.2 | -36.5 | 176.3 | -145.7 | 179 | -147.1 | -146.3 | 5 | 112.6 | W183 L184 S191 | W183-R187 WeakPolarHBondContact O-CB 3.38Å; W183-R187 PolarHBondContact O-N 3.25Å; L184-R187 PolarHBondContact O-N 3.44Å; R187-S191 PolarHBondContact O-N 2.97Å |
| 188 | L | 56.6 | Low | 52.7 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -76.3 | -30.7 | 175.8 | -71.8 | 171.6 | 0 | 0 | 0 | 113.1 | L184 L185 S191 | L184-L188 HydrophobicContact CD2-CD1 3.98Å; L184-L188 WeakPolarHBondContact O-CB 3.38Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.32Å; L185-L188 PolarHBondContact O-N 3.5Å; L188-S191 PolarHBondContact O-OG 3.49Å |
| 189 | A | 62.7 | Low | 53.1 | Low | 60 Ų | 60 | 136.6 Ų | 136.6 | 50% | 0.496 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -68.7 | -35 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L185 | L185-A189 WeakPolarHBondContact O-CB 3.41Å; L185-A189 PolarHBondContact O-N 3.42Å |
| 190 | S | 59.2 | Low | 53.6 | Low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -76 | -26.9 | 179.2 | -160.3 | 0 | 0 | 0 | 0 | 113.2 | N186 K192 | N186-S190 WeakPolarHBondContact O-CB 3.46Å; N186-S190 PolarHBondContact O-N 3.43Å; S190-K192 PolarHBondContact O-N 2.88Å |
| 191 | S | 56.7 | Low | 54 | Low | 81 Ų | 81 | 140.6 Ų | 140.6 | 57% | 0.566 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -9.1 | -178.8 | 76 | 0 | 0 | 0 | 0 | 115.3 | R187 L188 | R187-S191 PolarHBondContact O-N 2.97Å; L188-S191 PolarHBondContact O-OG 3.49Å |
| 192 | K | 57.4 | Low | 54.6 | Low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -1.1 | 179.8 | -82.3 | -169.6 | 176.1 | -177.6 | 0 | 115 | S190 | S190-K192 PolarHBondContact O-N 2.88Š|
| 193 | L | 51.9 | Low | 54.9 | Low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -100.3 | 15.6 | -178.2 | -107 | 146.8 | 0 | 0 | 0 | 114.7 | ||
| 194 | T | 52.7 | Low | 54.8 | Low | 121 Ų | 121 | 142.6 Ų | 142.6 | 74% | 0.742 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -118.5 | 19.4 | -177.7 | -24.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 195 | R | 48.6 | Very low | 55.1 | Low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -131.2 | 85.9 | 169.9 | -78.6 | -174.6 | 178.2 | -178.5 | -0.5 | 108.6 | ||
| 196 | Q | 51.3 | Low | 55 | Low | 198 Ų | 198 | 146.7 Ų | 146.7 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | trans | 169.3 | 83.7 | 147.2 | -75.5 | -123.1 | -35.3 | 0 | 0 | 106.6 | ||||
| 197 | L | 46.4 | Very low | 54.8 | Low | 253 Ų | 253 | 149.9 Ų | 149.9 | 100% | 1.325 | 76% | 0.76 | S | S | * | * | trans | -94.5 | 0 | 141.7 | -87.4 | 168.5 | 0 | 0 | 0 | 106.4 |
Retrieved 197 of 197 residues in 167.8 ms
(Link to these results)