| 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 | 40.7 | Very low | 62.5 | Low | 238 Ų | 238 | 138.2 Ų | 138.2 | 100% | 1.172 | 74% | 0.737 | S | S | * | * | 0 | 87.5 | 0 | -94.5 | 170.1 | -174 | 0 | 0 | 107.6 | L3 | M1-L3 PolarHBondContact O-N 3.26Š| |||
| 2 | E | 45.7 | Very low | 65.3 | Low | 187 Ų | 187 | 132.6 Ų | 132.6 | 87% | 0.874 | 72% | 0.724 | S | S | * | * | trans | -67.8 | 115.5 | 165.9 | -70.3 | 174 | 140.7 | 0 | 0 | 106.8 | S4 | E2-S4 PolarHBondContact O-N 3.5Š| ||
| 3 | L | 49.7 | Very low | 67.8 | Low | 155 Ų | 155 | 124.9 Ų | 124.9 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | trans | -71.9 | 83.6 | 175.8 | -72 | 169.9 | 0 | 0 | 0 | 108.7 | M1 A5 | M1-L3 PolarHBondContact O-N 3.26Å; L3-A5 HydrophobicContact CB-CB 4.3Å; L3-A5 PolarHBondContact O-N 3.17Å | ||
| 4 | S | 57.4 | Low | 70 | Confident | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 66% | 0.663 | S | S | * | * | trans | -62.7 | 72.2 | 151.9 | -52 | 0 | 0 | 0 | 0 | 107.6 | E2 | E2-S4 PolarHBondContact O-N 3.5Š| ||
| 5 | A | 48.3 | Very low | 71.9 | Confident | 54 Ų | 54 | 114.5 Ų | 114.5 | 45% | 0.446 | 63% | 0.631 | S | S | . | * | trans | -150.1 | 28.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3 G7 R9 | L3-A5 HydrophobicContact CB-CB 4.3Å; L3-A5 PolarHBondContact O-N 3.17Å; A5-G7 PolarHBondContact O-N 3.44Å; A5-R9 PolarHBondContact O-NH1 3.41Å | ||
| 6 | V | 52.7 | Low | 73.5 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 81% | 0.812 | 59% | 0.593 | S | S | * | * | trans | -72.2 | 66.5 | 152.8 | -171.7 | 0 | 0 | 0 | 0 | 106.2 | E8 | V6-E8 PolarHBondContact O-N 3.49Š| ||
| 7 | G | 51.3 | Low | 74.9 | Confident | 38 Ų | 38 | 103.5 Ų | 103.5 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | trans | -55.8 | 131.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | A5 R9 | A5-G7 PolarHBondContact O-N 3.44Å; G7-R9 WeakPolarHBondContact O-CG 3.46Å; G7-R9 PolarHBondContact O-N 3.36Å | ||
| 8 | E | 68.9 | Low | 76.1 | Confident | 195 Ų | 195 | 102.4 Ų | 102.4 | 91% | 0.911 | 56% | 0.558 | S | S | * | * | trans | -57.8 | 76 | 171.7 | -66.3 | 167.3 | 170.7 | 0 | 0 | 108.8 | V6 V10 | V6-E8 PolarHBondContact O-N 3.49Å; E8-V10 PolarHBondContact O-N 3.16Å | ||
| 9 | R | 84.2 | Confident | 77.2 | Confident | 158 Ų | 158 | 103.6 Ų | 103.6 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | trans | -84.2 | 111.6 | 178.3 | -69.8 | 179 | -63.2 | -93.5 | -0.1 | 106.1 | A5 G7 F11 | A5-R9 PolarHBondContact O-NH1 3.41Å; G7-R9 WeakPolarHBondContact O-CG 3.46Å; G7-R9 PolarHBondContact O-N 3.36Å; R9-F11 HydrophobicContact CB-CD2 4.33Å; R9-F11 HydrophobicContact CB-CE1 4.41Å; R9-F11 HydrophobicContact CB-CE2 3.45Å; R9-F11 VanDerWaalsContact CB-CE2 3.45Å; R9-F11 HydrophobicContact CB-CZ 3.5Å; R9-F11 HydrophobicContact CG-CZ 4.38Å; R9-F11 VanDerWaalsContact O-CD2 3.25Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 VanDerWaalsContact O-CE2 3.27Å; R9-F11 WeakPolarHBondContact O-CE2 3.37Å | ||
| 10 | V | 92.8 | Very high | 78.2 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 68% | 0.679 | 54% | 0.541 | S | S | * | . | trans | -82.9 | 129.6 | 170.9 | -179 | 0 | 0 | 0 | 0 | 108.1 | E8 L49 | E8-V10 PolarHBondContact O-N 3.16Å; V10-L49 HydrophobicContact CG1-CD1 4.12Å; V10-L49 HydrophobicContact CG2-CD1 3.9Å | ||
| 11 | F | 95.5 | Very high | 79.1 | Confident | 126 Ų | 126 | 104 Ų | 104 | 55% | 0.553 | 55% | 0.548 | S | S | * | . | trans | -117.2 | 149.1 | 177.1 | -59.8 | -84.1 | 0 | 0 | 0 | 109.7 | R9 A13 W32 | R9-F11 HydrophobicContact CB-CD2 4.33Å; R9-F11 HydrophobicContact CB-CE1 4.41Å; R9-F11 HydrophobicContact CB-CE2 3.45Å; R9-F11 VanDerWaalsContact CB-CE2 3.45Å; R9-F11 HydrophobicContact CB-CZ 3.5Å; R9-F11 HydrophobicContact CG-CZ 4.38Å; R9-F11 VanDerWaalsContact O-CD2 3.25Å; R9-F11 WeakPolarHBondContact O-CD2 3.29Å; R9-F11 VanDerWaalsContact O-CE2 3.27Å; R9-F11 WeakPolarHBondContact O-CE2 3.37Å; F11-A13 PolarHBondContact O-N 2.93Å; F11-W32 HydrophobicContact CB-CE3 3.94Å; F11-W32 HydrophobicContact CB-CZ3 3.78Å | ||
| 12 | A | 96.8 | Very high | 81.8 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | trans | -70.8 | 123.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | K33 | A12-K33 HydrophobicContact CB-CB 3.91Å; A12-K33 WeakPolarHBondContact O-CB 3.4Å; A12-K33 PolarHBondContact O-N 3.17Å | ||
| 13 | A | 98.1 | Very high | 84.2 | Confident | 33 Ų | 33 | 99.5 Ų | 99.5 | 27% | 0.273 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 149.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F11 V30 W32 L53 | F11-A13 PolarHBondContact O-N 2.93Å; A13-V30 HydrophobicContact CB-CG1 3.49Å; A13-V30 VanDerWaalsContact CB-CG1 3.49Å; A13-W32 HydrophobicContact CB-CE3 4.31Å; A13-W32 HydrophobicContact CB-CZ3 4.31Å; A13-L53 HydrophobicContact CB-CD1 3.88Å |
| 14 | E | 97.9 | Very high | 86.4 | Confident | 67 Ų | 67 | 95.6 Ų | 95.6 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -53.8 | 174.3 | -174.8 | 167.3 | 119.1 | 0 | 0 | 111 | K31 K33 | E14-K31 HydrophobicContact CB-CB 4.4Å; E14-K31 HydrophobicContact CB-CD 4.42Å; E14-K31 HydrophobicContact CB-CG 4.33Å; E14-K31 HydrophobicContact CG-CD 4.4Å; E14-K31 PolarHBondContact N-O 2.7Å; E14-K31 WeakPolarHBondContact OE1-CD 3.45Å; E14-K31 WeakPolarHBondContact OE1-CE 3.46Å; E14-K31 IonicContact OE1-NZ 3.15Å; E14-K31 PolarHBondContact OE1-NZ 3.5Å; E14-K33 HydrophobicContact CB-CD 4.13Å; E14-K33 HydrophobicContact CG-CD 4.26Å; E14-K33 WeakPolarHBondContact OE2-CD 3.38Å; E14-K33 IonicContact OE2-NZ 3.47Å; E14-K33 PolarHBondContact OE2-NZ 3.45Å |
| 15 | S | 97.9 | Very high | 88.3 | Confident | 26 Ų | 26 | 97.7 Ų | 97.7 | 18% | 0.182 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 163.9 | -177.5 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | K31 | S15-K31 PolarHBondContact N-O 2.94Å; S15-K31 PolarHBondContact O-N 3.38Å |
| 16 | I | 98.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 97.9 Ų | 97.9 | 3% | 0.026 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.1 | 166.3 | -68 | 171 | 0 | 0 | 0 | 107.3 | Y28 I48 L53 F54 F57 | I16-Y28 HydrophobicContact CD1-CD1 4.17Å; I16-Y28 HydrophobicContact CD1-CG 4.29Å; I16-Y28 HydrophobicContact CG2-CD1 3.6Å; I16-Y28 HydrophobicContact CG2-CE1 4.49Å; I16-Y28 HydrophobicContact CG2-CG 4.22Å; I16-I48 HydrophobicContact CD1-CG2 4.3Å; I16-L53 HydrophobicContact CD1-CB 3.87Å; I16-L53 HydrophobicContact CG1-CB 4.13Å; I16-F54 HydrophobicContact CD1-CD1 3.67Å; I16-F54 HydrophobicContact CD1-CE1 3.84Å; I16-F57 HydrophobicContact CB-CB 4.04Å; I16-F57 HydrophobicContact CB-CD2 4.12Å; I16-F57 HydrophobicContact CB-CG 4.15Å; I16-F57 HydrophobicContact CG2-CB 4.14Å; I16-F57 HydrophobicContact CG2-CD1 4.25Å; I16-F57 HydrophobicContact CG2-CD2 3.55Å; I16-F57 HydrophobicContact CG2-CE2 4Å; I16-F57 HydrophobicContact CG2-CG 3.69Å; I16-F57 WeakPolarHBondContact O-CD2 3.46Å |
| 17 | I | 97 | Very high | 92.7 | Very high | 38 Ų | 38 | 93 Ų | 93 | 20% | 0.195 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -51.4 | -175.9 | -47.2 | 178.5 | 0 | 0 | 0 | 110.7 | L29 K31 S40 | I17-L29 HydrophobicContact CB-CD2 4.33Å; I17-L29 HydrophobicContact CB-CG 4.44Å; I17-L29 HydrophobicContact CD1-CD2 4.48Å; I17-L29 HydrophobicContact CD1-CG 4.48Å; I17-L29 PolarHBondContact N-O 2.89Å; I17-K31 HydrophobicContact CD1-CB 3.88Å; I17-K31 HydrophobicContact CD1-CG 4.42Å; I17-K31 HydrophobicContact CG1-CB 3.92Å; I17-S40 WeakPolarHBondContact CD1-OG 3.26Å |
| 18 | K | 97 | Very high | 95 | Very high | 84 Ų | 84 | 91.8 Ų | 91.8 | 37% | 0.365 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.1 | -173.2 | -62.5 | -174.7 | 178.7 | 179.5 | 0 | 110.7 | Y28 L29 W42 E206 | K18-Y28 CarbonylContact O-C 3.55Å; K18-Y28 WeakPolarHBondContact O-CA 3.3Å; K18-L29 HydrophobicContact CB-CB 4.11Å; K18-L29 HydrophobicContact CB-CD2 4.32Å; K18-L29 HydrophobicContact CG-CD2 4.48Å; K18-L29 PolarHBondContact O-N 2.94Å; K18-W42 HydrophobicContact CB-CH2 3.84Å; K18-W42 HydrophobicContact CB-CZ2 4.48Å; K18-E206 IonicContact NZ-OE2 3.13Å; K18-E206 PolarHBondContact NZ-OE2 3.25Å; K18-E206 VanDerWaalsContact NZ-OE2 3.13Å |
| 19 | R | 97.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 83.8 Ų | 83.8 | 47% | 0.472 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 140.6 | 174.8 | 178.4 | -178.6 | 60.9 | -174.3 | -6.8 | 110 | I26 Y28 F57 | R19-I26 HydrophobicContact CG-CG2 3.84Å; R19-Y28 HydrophobicContact CB-CD1 3.92Å; R19-Y28 HydrophobicContact CB-CE1 3.88Å; R19-Y28 HydrophobicContact CG-CD1 4.04Å; R19-Y28 HydrophobicContact CG-CE1 3.68Å; R19-F57 HydrophobicContact CB-CE1 3.73Å; R19-F57 HydrophobicContact CB-CZ 3.63Å |
| 20 | R | 97 | Very high | 97 | Very high | 81 Ų | 81 | 76.2 Ų | 76.2 | 31% | 0.306 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 164.2 | 172.7 | 78 | -176.2 | -176.9 | -167.3 | -5.7 | 112 | E27 W42 | R20-E27 HydrophobicContact CG-CB 4.09Å; R20-E27 IonicContact CZ-OE2 2.7Å; R20-E27 PolarHBondContact N-O 3.05Å; R20-E27 IonicContact NE-OE2 3.45Å; R20-E27 PolarHBondContact NE-OE2 3.18Å; R20-E27 IonicContact NH2-OE2 3.36Å; R20-E27 PolarHBondContact NH2-OE2 3.13Å; R20-E27 PolarHBondContact O-N 3.1Å; R20-W42 HydrophobicContact CB-CE3 4.41Å; R20-W42 HydrophobicContact CB-CH2 3.8Å; R20-W42 HydrophobicContact CB-CZ3 3.71Å; R20-W42 HydrophobicContact CG-CD2 4.2Å; R20-W42 HydrophobicContact CG-CE3 3.58Å; R20-W42 HydrophobicContact CG-CH2 3.82Å; R20-W42 HydrophobicContact CG-CZ2 4.41Å; R20-W42 HydrophobicContact CG-CZ3 3.38Å; R20-W42 VanDerWaalsContact CZ-CD1 3.48Å; R20-W42 VanDerWaalsContact NH1-CD1 3.31Å; R20-W42 VanDerWaalsContact NH1-NE1 3.18Å; R20-W42 VanDerWaalsContact NH2-CB 3.3Å |
| 21 | I | 97.6 | Very high | 97.3 | Very high | 134 Ų | 134 | 72.1 Ų | 72.1 | 69% | 0.687 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.2 | 172.2 | -58.9 | 172.8 | 0 | 0 | 0 | 108.4 | R25 I26 | I21-R25 WeakPolarHBondContact CA-O 3.48Å; I21-I26 HydrophobicContact CG1-CG1 4.42Å |
| 22 | R | 96.5 | Very high | 97.4 | Very high | 135 Ų | 135 | 68.3 Ų | 68.3 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.5 | 178 | -168.2 | -179.9 | -177.5 | -170.2 | 1.4 | 109.9 | G24 R25 | R22-G24 PolarHBondContact O-N 3.19Å; R22-G24 VanDerWaalsContact O-N 3.1Å; R22-R25 PolarHBondContact N-O 2.94Å; R22-R25 PolarHBondContact O-N 2.9Å |
| 23 | K | 95.3 | Very high | 97.5 | Very high | 196 Ų | 196 | 70.9 Ų | 70.9 | 85% | 0.852 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 33.3 | -177.9 | -60.5 | 177.5 | 177.4 | -179.5 | 0 | 113.4 | R25 | K23-R25 VanDerWaalsContact C-N 3.26Å; K23-R25 PolarHBondContact O-N 3.38Å |
| 24 | G | 96.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 74% | 0.742 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 6.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R22 | R22-G24 PolarHBondContact O-N 3.19Å; R22-G24 VanDerWaalsContact O-N 3.1Å |
| 25 | R | 96.7 | Very high | 97.4 | Very high | 168 Ų | 168 | 77.3 Ų | 77.3 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.6 | 172.5 | -63.6 | -175.1 | -179.7 | -173.1 | -4.3 | 110 | I21 R22 K23 | I21-R25 WeakPolarHBondContact CA-O 3.48Å; R22-R25 PolarHBondContact N-O 2.94Å; R22-R25 PolarHBondContact O-N 2.9Å; K23-R25 VanDerWaalsContact C-N 3.26Å; K23-R25 PolarHBondContact O-N 3.38Å |
| 26 | I | 97.3 | Very high | 97.4 | Very high | 57 Ų | 57 | 78.9 Ų | 78.9 | 29% | 0.292 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.4 | 174 | -57.3 | 174.8 | 0 | 0 | 0 | 107.5 | R19 I21 Y28 E45 | R19-I26 HydrophobicContact CG-CG2 3.84Å; I21-I26 HydrophobicContact CG1-CG1 4.42Å; I26-Y28 HydrophobicContact CB-CE2 4.46Å; I26-Y28 HydrophobicContact CG2-CD2 4.12Å; I26-Y28 HydrophobicContact CG2-CE2 3.45Å; I26-Y28 VanDerWaalsContact CG2-CE2 3.45Å; I26-E45 PolarHBondContact O-N 3.29Å; I26-E45 VanDerWaalsContact O-N 3.13Å |
| 27 | E | 97.9 | Very high | 97.3 | Very high | 33 Ų | 33 | 81.7 Ų | 81.7 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.7 | 173.5 | -65 | 173.5 | 178.7 | 0 | 0 | 108.6 | R20 W42 E43 | R20-E27 HydrophobicContact CG-CB 4.09Å; R20-E27 IonicContact CZ-OE2 2.7Å; R20-E27 PolarHBondContact N-O 3.05Å; R20-E27 IonicContact NE-OE2 3.45Å; R20-E27 PolarHBondContact NE-OE2 3.18Å; R20-E27 IonicContact NH2-OE2 3.36Å; R20-E27 PolarHBondContact NH2-OE2 3.13Å; R20-E27 PolarHBondContact O-N 3.1Å; E27-W42 HydrophobicContact CB-CB 4.48Å; E27-W42 HydrophobicContact CB-CE3 4Å; E27-W42 WeakPolarHBondContact O-CZ3 3.49Å; E27-E43 CarbonylContact C-O 3.52Å; E27-E43 VanDerWaalsContact CA-O 3.29Å; E27-E43 WeakPolarHBondContact CA-O 3.42Å |
| 28 | Y | 98.1 | Very high | 97.3 | Very high | 11 Ų | 11 | 88.5 Ų | 88.5 | 4% | 0.043 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.5 | 179.6 | -69 | -83.4 | 0 | 0 | 0 | 109.5 | I16 K18 R19 I26 V30 W42 E43 E45 F54 F57 | I16-Y28 HydrophobicContact CD1-CD1 4.17Å; I16-Y28 HydrophobicContact CD1-CG 4.29Å; I16-Y28 HydrophobicContact CG2-CD1 3.6Å; I16-Y28 HydrophobicContact CG2-CE1 4.49Å; I16-Y28 HydrophobicContact CG2-CG 4.22Å; K18-Y28 CarbonylContact O-C 3.55Å; K18-Y28 WeakPolarHBondContact O-CA 3.3Å; R19-Y28 HydrophobicContact CB-CD1 3.92Å; R19-Y28 HydrophobicContact CB-CE1 3.88Å; R19-Y28 HydrophobicContact CG-CD1 4.04Å; R19-Y28 HydrophobicContact CG-CE1 3.68Å; I26-Y28 HydrophobicContact CB-CE2 4.46Å; I26-Y28 HydrophobicContact CG2-CD2 4.12Å; I26-Y28 HydrophobicContact CG2-CE2 3.45Å; I26-Y28 VanDerWaalsContact CG2-CE2 3.45Å; Y28-V30 PolarHBondContact O-N 3.13Å; Y28-W42 CarbonylContact O-C 3.6Å; Y28-W42 WeakPolarHBondContact O-CA 3.24Å; Y28-E43 PolarHBondContact N-O 2.95Å; Y28-E43 PolarHBondContact O-N 2.82Å; Y28-E45 HydrophobicContact CD2-CB 4.38Å; Y28-E45 HydrophobicContact CE2-CB 3.97Å; Y28-E45 HydrophobicContact CE2-CG 4.07Å; Y28-F54 HydrophobicContact CD1-CE1 4.43Å; Y28-F54 AromaticContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CZ 4.49Å; Y28-F54 HydrophobicContact CE1-CD1 4.19Å; Y28-F54 HydrophobicContact CE1-CE1 4.1Å; Y28-F54 HydrophobicContact CE2-CD1 4.24Å; Y28-F54 AromaticContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CE1 3.42Å; Y28-F54 VanDerWaalsContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CZ 4.21Å; Y28-F54 HydrophobicContact CG-CE1 4.22Å; Y28-F54 AromaticContact CZ-CD1 3.93Å; Y28-F54 AromaticContact CZ-CE1 3.59Å; Y28-F57 HydrophobicContact CD1-CE1 4.45Å; Y28-F57 HydrophobicContact CE1-CD1 4.09Å; Y28-F57 HydrophobicContact CE1-CE1 4.03Å |
| 29 | L | 98.2 | Very high | 97.3 | Very high | 27 Ų | 27 | 90.9 Ų | 90.9 | 14% | 0.141 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 111.4 | 172.7 | -175.9 | 62.6 | 0 | 0 | 0 | 108.3 | I17 K18 T41 W42 | I17-L29 HydrophobicContact CB-CD2 4.33Å; I17-L29 HydrophobicContact CB-CG 4.44Å; I17-L29 HydrophobicContact CD1-CD2 4.48Å; I17-L29 HydrophobicContact CD1-CG 4.48Å; I17-L29 PolarHBondContact N-O 2.89Å; K18-L29 HydrophobicContact CB-CB 4.11Å; K18-L29 HydrophobicContact CB-CD2 4.32Å; K18-L29 HydrophobicContact CG-CD2 4.48Å; K18-L29 PolarHBondContact O-N 2.94Å; L29-T41 WeakPolarHBondContact CA-O 3.45Å; L29-W42 HydrophobicContact CB-CD2 4.02Å; L29-W42 HydrophobicContact CB-CE3 3.95Å; L29-W42 HydrophobicContact CB-CH2 3.85Å; L29-W42 HydrophobicContact CB-CZ2 3.91Å; L29-W42 HydrophobicContact CB-CZ3 3.85Å; L29-W42 HydrophobicContact CD1-CD2 4.21Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD2-CZ2 4.25Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å |
| 30 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.7 | -172.9 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | A13 Y28 W32 S40 T41 E43 I48 | A13-V30 HydrophobicContact CB-CG1 3.49Å; A13-V30 VanDerWaalsContact CB-CG1 3.49Å; Y28-V30 PolarHBondContact O-N 3.13Å; V30-W32 HydrophobicContact CB-CH2 4.49Å; V30-W32 HydrophobicContact CB-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CD2 4.15Å; V30-W32 HydrophobicContact CG1-CE3 4.03Å; V30-W32 HydrophobicContact CG1-CH2 4.12Å; V30-W32 HydrophobicContact CG1-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CZ3 4.01Å; V30-S40 WeakPolarHBondContact O-CA 3.38Å; V30-S40 WeakPolarHBondContact O-CB 3.36Å; V30-S40 PolarHBondContact O-OG 2.95Å; V30-T41 PolarHBondContact N-O 2.84Å; V30-T41 PolarHBondContact O-N 2.79Å; V30-E43 HydrophobicContact CG2-CB 4.02Å; V30-E43 HydrophobicContact CG2-CG 3.99Å; V30-I48 HydrophobicContact CG2-CD1 3.48Å; V30-I48 VanDerWaalsContact CG2-CD1 3.48Å |
| 31 | K | 98.3 | Very high | 97.4 | Very high | 25 Ų | 25 | 84.6 Ų | 84.6 | 11% | 0.109 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.3 | 166.4 | -167.7 | -179.6 | 177.5 | -171.8 | 0 | 108.2 | E14 S15 I17 | E14-K31 HydrophobicContact CB-CB 4.4Å; E14-K31 HydrophobicContact CB-CD 4.42Å; E14-K31 HydrophobicContact CB-CG 4.33Å; E14-K31 HydrophobicContact CG-CD 4.4Å; E14-K31 PolarHBondContact N-O 2.7Å; E14-K31 WeakPolarHBondContact OE1-CD 3.45Å; E14-K31 WeakPolarHBondContact OE1-CE 3.46Å; E14-K31 IonicContact OE1-NZ 3.15Å; E14-K31 PolarHBondContact OE1-NZ 3.5Å; S15-K31 PolarHBondContact N-O 2.94Å; S15-K31 PolarHBondContact O-N 3.38Å; I17-K31 HydrophobicContact CD1-CB 3.88Å; I17-K31 HydrophobicContact CD1-CG 4.42Å; I17-K31 HydrophobicContact CG1-CB 3.92Å |
| 32 | W | 98.2 | Very high | 97.4 | Very high | 47 Ų | 47 | 82 Ų | 82 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 139.8 | -178.7 | -62.7 | 110.9 | 0 | 0 | 0 | 111.6 | F11 A13 V30 G34 W35 T41 E43 | F11-W32 HydrophobicContact CB-CE3 3.94Å; F11-W32 HydrophobicContact CB-CZ3 3.78Å; A13-W32 HydrophobicContact CB-CE3 4.31Å; A13-W32 HydrophobicContact CB-CZ3 4.31Å; V30-W32 HydrophobicContact CB-CH2 4.49Å; V30-W32 HydrophobicContact CB-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CD2 4.15Å; V30-W32 HydrophobicContact CG1-CE3 4.03Å; V30-W32 HydrophobicContact CG1-CH2 4.12Å; V30-W32 HydrophobicContact CG1-CZ2 4.23Å; V30-W32 HydrophobicContact CG1-CZ3 4.01Å; W32-G34 PolarHBondContact O-N 3.4Å; W32-W35 HydrophobicContact CB-CB 4.05Å; W32-W35 HydrophobicContact CB-CG 4.15Å; W32-W35 PolarHBondContact O-N 3.08Å; W32-W35 VanDerWaalsContact O-N 3.13Å; W32-T41 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.34Å; W32-T41 PolarHBondContact NE1-OG1 2.82Å; W32-E43 HydrophobicContact CH2-CG 4.05Å; W32-E43 HydrophobicContact CZ2-CG 3.77Å |
| 33 | K | 97.9 | Very high | 97.5 | Very high | 124 Ų | 124 | 77.6 Ų | 77.6 | 54% | 0.539 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 125.1 | -176 | -173.9 | 63.6 | -170.5 | 166.1 | 0 | 111 | A12 E14 W35 | A12-K33 HydrophobicContact CB-CB 3.91Å; A12-K33 WeakPolarHBondContact O-CB 3.4Å; A12-K33 PolarHBondContact O-N 3.17Å; E14-K33 HydrophobicContact CB-CD 4.13Å; E14-K33 HydrophobicContact CG-CD 4.26Å; E14-K33 WeakPolarHBondContact OE2-CD 3.38Å; E14-K33 IonicContact OE2-NZ 3.47Å; E14-K33 PolarHBondContact OE2-NZ 3.45Å; K33-W35 VanDerWaalsContact C-N 3.27Å; K33-W35 PolarHBondContact O-N 3.14Å |
| 34 | G | 96.9 | Very high | 97.5 | Very high | 74 Ų | 74 | 70 Ų | 70 | 76% | 0.763 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 10.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W32 | W32-G34 PolarHBondContact O-N 3.4Š|
| 35 | W | 96.6 | Very high | 97.5 | Very high | 161 Ų | 161 | 71.2 Ų | 71.2 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -115.8 | 149 | 171.5 | -64.5 | 79.9 | 0 | 0 | 0 | 109.4 | W32 K33 Y39 | W32-W35 HydrophobicContact CB-CB 4.05Å; W32-W35 HydrophobicContact CB-CG 4.15Å; W32-W35 PolarHBondContact O-N 3.08Å; W32-W35 VanDerWaalsContact O-N 3.13Å; K33-W35 VanDerWaalsContact C-N 3.27Å; K33-W35 PolarHBondContact O-N 3.14Å; W35-Y39 HydrophobicContact CE3-CD2 4.03Å; W35-Y39 HydrophobicContact CE3-CG 4.16Å |
| 36 | S | 97.8 | Very high | 97.4 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | trans | -67.1 | 153.7 | 174.9 | 65 | 0 | 0 | 0 | 0 | 111.2 | K38 Y39 | S36-K38 PolarHBondContact O-N 3.38Å; S36-Y39 PolarHBondContact O-N 3.18Å; S36-Y39 VanDerWaalsContact OG-CD2 3.27Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.02Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.34Å | ||
| 37 | P | 96.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 72.1 Ų | 72.1 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -53.2 | -27.1 | 178 | -26.7 | 33.1 | 0 | 0 | 0 | 113.9 | Y39 S40 | P37-Y39 PolarHBondContact O-N 3.22Å; P37-Y39 VanDerWaalsContact O-N 3.17Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 3.4Å; P37-S40 PolarHBondContact O-OG 3.22Å |
| 38 | K | 97.4 | Very high | 97.3 | Very high | 180 Ų | 180 | 71.5 Ų | 71.5 | 78% | 0.783 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -57.1 | -28 | 176.1 | -175.1 | 173.6 | -178.4 | 172.5 | 0 | 114.3 | S36 | S36-K38 PolarHBondContact O-N 3.38Š|
| 39 | Y | 97.4 | Very high | 97.2 | Very high | 135 Ų | 135 | 77.3 Ų | 77.3 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -95.1 | 9.8 | 178.4 | -60.5 | -73.8 | 0 | 0 | 0 | 113.2 | W35 S36 P37 | W35-Y39 HydrophobicContact CE3-CD2 4.03Å; W35-Y39 HydrophobicContact CE3-CG 4.16Å; S36-Y39 PolarHBondContact O-N 3.18Å; S36-Y39 VanDerWaalsContact OG-CD2 3.27Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.02Å; S36-Y39 WeakPolarHBondContact OG-CE2 3.34Å; P37-Y39 PolarHBondContact O-N 3.22Å; P37-Y39 VanDerWaalsContact O-N 3.17Å |
| 40 | S | 98.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 78.6 Ų | 78.6 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | trans | -61.6 | 140.8 | 176.2 | -57 | 0 | 0 | 0 | 0 | 110.8 | I17 V30 P37 | I17-S40 WeakPolarHBondContact CD1-OG 3.26Å; V30-S40 WeakPolarHBondContact O-CA 3.38Å; V30-S40 WeakPolarHBondContact O-CB 3.36Å; V30-S40 PolarHBondContact O-OG 2.95Å; P37-S40 WeakPolarHBondContact O-CB 3.33Å; P37-S40 PolarHBondContact O-N 3.4Å; P37-S40 PolarHBondContact O-OG 3.22Å | ||
| 41 | T | 97.9 | Very high | 97 | Very high | 54 Ų | 54 | 82 Ų | 82 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 153.8 | -178.9 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | L29 V30 W32 E43 | L29-T41 WeakPolarHBondContact CA-O 3.45Å; V30-T41 PolarHBondContact N-O 2.84Å; V30-T41 PolarHBondContact O-N 2.79Å; W32-T41 VanDerWaalsContact CZ2-OG1 3.3Å; W32-T41 WeakPolarHBondContact CZ2-OG1 3.34Å; W32-T41 PolarHBondContact NE1-OG1 2.82Å; T41-E43 PolarHBondContact O-N 2.9Å; T41-E43 PolarHBondContact OG1-OE1 2.94Å |
| 42 | W | 98.1 | Very high | 97 | Very high | 79 Ų | 79 | 89.7 Ų | 89.7 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.1 | 175.2 | -72.9 | 95.2 | 0 | 0 | 0 | 109.6 | K18 R20 E27 Y28 L29 | K18-W42 HydrophobicContact CB-CH2 3.84Å; K18-W42 HydrophobicContact CB-CZ2 4.48Å; R20-W42 HydrophobicContact CB-CE3 4.41Å; R20-W42 HydrophobicContact CB-CH2 3.8Å; R20-W42 HydrophobicContact CB-CZ3 3.71Å; R20-W42 HydrophobicContact CG-CD2 4.2Å; R20-W42 HydrophobicContact CG-CE3 3.58Å; R20-W42 HydrophobicContact CG-CH2 3.82Å; R20-W42 HydrophobicContact CG-CZ2 4.41Å; R20-W42 HydrophobicContact CG-CZ3 3.38Å; R20-W42 VanDerWaalsContact CZ-CD1 3.48Å; R20-W42 VanDerWaalsContact NH1-CD1 3.31Å; R20-W42 VanDerWaalsContact NH1-NE1 3.18Å; R20-W42 VanDerWaalsContact NH2-CB 3.3Å; E27-W42 HydrophobicContact CB-CB 4.48Å; E27-W42 HydrophobicContact CB-CE3 4Å; E27-W42 WeakPolarHBondContact O-CZ3 3.49Å; Y28-W42 CarbonylContact O-C 3.6Å; Y28-W42 WeakPolarHBondContact O-CA 3.24Å; L29-W42 HydrophobicContact CB-CD2 4.02Å; L29-W42 HydrophobicContact CB-CE3 3.95Å; L29-W42 HydrophobicContact CB-CH2 3.85Å; L29-W42 HydrophobicContact CB-CZ2 3.91Å; L29-W42 HydrophobicContact CB-CZ3 3.85Å; L29-W42 HydrophobicContact CD1-CD2 4.21Å; L29-W42 HydrophobicContact CD1-CG 4.24Å; L29-W42 HydrophobicContact CD2-CZ2 4.25Å; L29-W42 HydrophobicContact CG-CZ2 4.47Å |
| 43 | E | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 88.7 Ų | 88.7 | 20% | 0.201 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.6 | 179.1 | -62.4 | -56.5 | 138.5 | 0 | 0 | 110.4 | E27 Y28 V30 W32 T41 N47 I48 | E27-E43 CarbonylContact C-O 3.52Å; E27-E43 VanDerWaalsContact CA-O 3.29Å; E27-E43 WeakPolarHBondContact CA-O 3.42Å; Y28-E43 PolarHBondContact N-O 2.95Å; Y28-E43 PolarHBondContact O-N 2.82Å; V30-E43 HydrophobicContact CG2-CB 4.02Å; V30-E43 HydrophobicContact CG2-CG 3.99Å; W32-E43 HydrophobicContact CH2-CG 4.05Å; W32-E43 HydrophobicContact CZ2-CG 3.77Å; T41-E43 PolarHBondContact O-N 2.9Å; T41-E43 PolarHBondContact OG1-OE1 2.94Å; E43-N47 HydrophobicContact CB-CB 4.24Å; E43-N47 PolarHBondContact OE2-ND2 2.78Å; E43-I48 HydrophobicContact CB-CD1 4.02Å |
| 44 | P | 96.8 | Very high | 97 | Very high | 36 Ų | 36 | 84.6 Ų | 84.6 | 23% | 0.234 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 154.8 | 173.5 | 29.2 | -35.4 | 0 | 0 | 0 | 111 | E46 N47 | P44-E46 PolarHBondContact O-N 3.32Å; P44-E46 VanDerWaalsContact O-N 3.13Å; P44-N47 WeakPolarHBondContact CD-ND2 3.27Å; P44-N47 HydrophobicContact CG-CB 3.99Å; P44-N47 WeakPolarHBondContact O-CB 3.46Å; P44-N47 PolarHBondContact O-N 3.48Å |
| 45 | E | 96.1 | Very high | 97 | Very high | 98 Ų | 98 | 83.8 Ų | 83.8 | 46% | 0.458 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -49.4 | -39.8 | 175.6 | -175.3 | -179.8 | 169.3 | 0 | 0 | 112.7 | I26 Y28 N47 I48 F54 | I26-E45 PolarHBondContact O-N 3.29Å; I26-E45 VanDerWaalsContact O-N 3.13Å; Y28-E45 HydrophobicContact CD2-CB 4.38Å; Y28-E45 HydrophobicContact CE2-CB 3.97Å; Y28-E45 HydrophobicContact CE2-CG 4.07Å; E45-N47 PolarHBondContact O-N 2.97Å; E45-I48 PolarHBondContact O-N 2.84Å; E45-F54 HydrophobicContact CG-CZ 4.04Å |
| 46 | E | 94.9 | Very high | 97 | Very high | 153 Ų | 153 | 79.1 Ų | 79.1 | 72% | 0.715 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.2 | 179.6 | -62.5 | 170.1 | -165.7 | 0 | 0 | 113.8 | P44 | P44-E46 PolarHBondContact O-N 3.32Å; P44-E46 VanDerWaalsContact O-N 3.13Å |
| 47 | N | 95.8 | Very high | 96.9 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -83.4 | -14.7 | -179.4 | -78.7 | 6.4 | 0 | 0 | 0 | 113 | E43 P44 E45 L49 | E43-N47 HydrophobicContact CB-CB 4.24Å; E43-N47 PolarHBondContact OE2-ND2 2.78Å; P44-N47 WeakPolarHBondContact CD-ND2 3.27Å; P44-N47 HydrophobicContact CG-CB 3.99Å; P44-N47 WeakPolarHBondContact O-CB 3.46Å; P44-N47 PolarHBondContact O-N 3.48Å; E45-N47 PolarHBondContact O-N 2.97Å; N47-L49 PolarHBondContact O-N 3.35Å |
| 48 | I | 96 | Very high | 96.8 | Very high | 20 Ų | 20 | 78.2 Ų | 78.2 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | trans | -88.7 | 104.9 | -177.5 | -48.3 | -57.2 | 0 | 0 | 0 | 109.2 | I16 V30 E43 E45 L53 F54 | I16-I48 HydrophobicContact CD1-CG2 4.3Å; V30-I48 HydrophobicContact CG2-CD1 3.48Å; V30-I48 VanDerWaalsContact CG2-CD1 3.48Å; E43-I48 HydrophobicContact CB-CD1 4.02Å; E45-I48 PolarHBondContact O-N 2.84Å; I48-L53 HydrophobicContact CG2-CB 4.41Å; I48-L53 HydrophobicContact CG2-CD1 4.11Å; I48-F54 HydrophobicContact CB-CE1 4.13Å; I48-F54 HydrophobicContact CB-CE2 3.91Å; I48-F54 HydrophobicContact CB-CZ 3.44Å; I48-F54 VanDerWaalsContact CB-CZ 3.44Å; I48-F54 HydrophobicContact CG1-CE1 4.18Å; I48-F54 HydrophobicContact CG1-CZ 3.88Å; I48-F54 HydrophobicContact CG2-CD2 4.49Å; I48-F54 HydrophobicContact CG2-CE1 4.12Å; I48-F54 HydrophobicContact CG2-CE2 3.85Å; I48-F54 HydrophobicContact CG2-CZ 3.68Å | ||
| 49 | L | 96.5 | Very high | 96.7 | Very high | 133 Ų | 133 | 74.4 Ų | 74.4 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | trans | -86.8 | -17.9 | -173.4 | -54.2 | -179.6 | 0 | 0 | 0 | 114 | V10 N47 | V10-L49 HydrophobicContact CG1-CD1 4.12Å; V10-L49 HydrophobicContact CG2-CD1 3.9Å; N47-L49 PolarHBondContact O-N 3.35Å | ||
| 50 | D | 96.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 72.7 Ų | 72.7 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | trans | -103 | 108.3 | -178.3 | -169.2 | -15.3 | 0 | 0 | 0 | 111.3 | R52 L53 | D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 VanDerWaalsContact O-N 3.16Å; D50-R52 VanDerWaalsContact OD1-CB 3.26Å; D50-R52 WeakPolarHBondContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.28Å; D50-R52 PolarHBondContact OD1-N 2.82Å; D50-R52 IonicContact OD1-NE 2.73Å; D50-R52 PolarHBondContact OD1-NE 3.45Å; D50-R52 VanDerWaalsContact OD1-NE 3.15Å; D50-R52 IonicContact OD2-CZ 2.79Å; D50-R52 IonicContact OD2-NE 2.7Å; D50-R52 PolarHBondContact OD2-NE 2.87Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 3.16Å; D50-R52 PolarHBondContact OD2-NH2 3.38Å; D50-L53 HydrophobicContact CB-CD1 4.06Å; D50-L53 HydrophobicContact CB-CG 4.22Å; D50-L53 WeakPolarHBondContact O-CB 3.45Å; D50-L53 PolarHBondContact O-N 2.76Å; D50-L53 VanDerWaalsContact O-N 3.17Å | ||
| 51 | A | 96.6 | Very high | 96.2 | Very high | 72 Ų | 72 | 74.5 Ų | 74.5 | 60% | 0.595 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.8 | -21.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L53 F54 A55 | A51-L53 PolarHBondContact O-N 3.38Å; A51-F54 PolarHBondContact O-N 3.06Å; A51-A55 PolarHBondContact O-N 2.68Å; A51-A55 VanDerWaalsContact O-N 3.1Å |
| 52 | R | 97.6 | Very high | 95.9 | Very high | 187 Ų | 187 | 79 Ų | 79 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.3 | -31.1 | 178.4 | -61.3 | 178.8 | -62.9 | 167.9 | 5.1 | 111.8 | D50 F54 A55 A56 | D50-R52 PolarHBondContact O-N 3.47Å; D50-R52 VanDerWaalsContact O-N 3.16Å; D50-R52 VanDerWaalsContact OD1-CB 3.26Å; D50-R52 WeakPolarHBondContact OD1-CB 3.25Å; D50-R52 WeakPolarHBondContact OD1-CG 3.28Å; D50-R52 PolarHBondContact OD1-N 2.82Å; D50-R52 IonicContact OD1-NE 2.73Å; D50-R52 PolarHBondContact OD1-NE 3.45Å; D50-R52 VanDerWaalsContact OD1-NE 3.15Å; D50-R52 IonicContact OD2-CZ 2.79Å; D50-R52 IonicContact OD2-NE 2.7Å; D50-R52 PolarHBondContact OD2-NE 2.87Å; D50-R52 VanDerWaalsContact OD2-NE 3.13Å; D50-R52 IonicContact OD2-NH2 3.16Å; D50-R52 PolarHBondContact OD2-NH2 3.38Å; R52-F54 VanDerWaalsContact C-N 3.32Å; R52-A55 PolarHBondContact O-N 2.86Å; R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 2.95Å |
| 53 | L | 97.6 | Very high | 95.6 | Very high | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.6 | -64.6 | 172.2 | 0 | 0 | 0 | 110.8 | A13 I16 I48 D50 A51 F57 | A13-L53 HydrophobicContact CB-CD1 3.88Å; I16-L53 HydrophobicContact CD1-CB 3.87Å; I16-L53 HydrophobicContact CG1-CB 4.13Å; I48-L53 HydrophobicContact CG2-CB 4.41Å; I48-L53 HydrophobicContact CG2-CD1 4.11Å; D50-L53 HydrophobicContact CB-CD1 4.06Å; D50-L53 HydrophobicContact CB-CG 4.22Å; D50-L53 WeakPolarHBondContact O-CB 3.45Å; D50-L53 PolarHBondContact O-N 2.76Å; D50-L53 VanDerWaalsContact O-N 3.17Å; A51-L53 PolarHBondContact O-N 3.38Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 PolarHBondContact O-N 3.28Å |
| 54 | F | 97.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 83.9 Ų | 83.9 | 17% | 0.167 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 173.6 | -64.7 | -53.8 | 0 | 0 | 0 | 112 | I16 Y28 E45 I48 A51 R52 A56 F57 E58 | I16-F54 HydrophobicContact CD1-CD1 3.67Å; I16-F54 HydrophobicContact CD1-CE1 3.84Å; Y28-F54 HydrophobicContact CD1-CE1 4.43Å; Y28-F54 AromaticContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CE1 3.74Å; Y28-F54 HydrophobicContact CD2-CZ 4.49Å; Y28-F54 HydrophobicContact CE1-CD1 4.19Å; Y28-F54 HydrophobicContact CE1-CE1 4.1Å; Y28-F54 HydrophobicContact CE2-CD1 4.24Å; Y28-F54 AromaticContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CE1 3.42Å; Y28-F54 VanDerWaalsContact CE2-CE1 3.42Å; Y28-F54 HydrophobicContact CE2-CZ 4.21Å; Y28-F54 HydrophobicContact CG-CE1 4.22Å; Y28-F54 AromaticContact CZ-CD1 3.93Å; Y28-F54 AromaticContact CZ-CE1 3.59Å; E45-F54 HydrophobicContact CG-CZ 4.04Å; I48-F54 HydrophobicContact CB-CE1 4.13Å; I48-F54 HydrophobicContact CB-CE2 3.91Å; I48-F54 HydrophobicContact CB-CZ 3.44Å; I48-F54 VanDerWaalsContact CB-CZ 3.44Å; I48-F54 HydrophobicContact CG1-CE1 4.18Å; I48-F54 HydrophobicContact CG1-CZ 3.88Å; I48-F54 HydrophobicContact CG2-CD2 4.49Å; I48-F54 HydrophobicContact CG2-CE1 4.12Å; I48-F54 HydrophobicContact CG2-CE2 3.85Å; I48-F54 HydrophobicContact CG2-CZ 3.68Å; A51-F54 PolarHBondContact O-N 3.06Å; R52-F54 VanDerWaalsContact C-N 3.32Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.68Å; F54-F57 PolarHBondContact O-N 3.05Å; F54-E58 WeakPolarHBondContact O-CB 3.36Å; F54-E58 WeakPolarHBondContact O-CG 3.49Å; F54-E58 PolarHBondContact O-N 2.73Å |
| 55 | A | 96.9 | Very high | 94.7 | Very high | 58 Ų | 58 | 90.1 Ų | 90.1 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A51 R52 Q59 | A51-A55 PolarHBondContact O-N 2.68Å; A51-A55 VanDerWaalsContact O-N 3.1Å; R52-A55 PolarHBondContact O-N 2.86Å; A55-Q59 VanDerWaalsContact O-CB 3.24Å; A55-Q59 WeakPolarHBondContact O-CB 3.46Å; A55-Q59 PolarHBondContact O-N 2.77Å |
| 56 | A | 96.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 90.1 Ų | 90.1 | 51% | 0.512 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R52 F54 Q59 R60 | R52-A56 WeakPolarHBondContact O-CB 3.34Å; R52-A56 PolarHBondContact O-N 2.95Å; F54-A56 VanDerWaalsContact C-N 3.33Å; F54-A56 PolarHBondContact O-N 2.68Å; A56-Q59 PolarHBondContact O-N 2.8Å; A56-R60 WeakPolarHBondContact O-CB 3.36Å; A56-R60 PolarHBondContact O-N 3.16Å |
| 57 | F | 96.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 90.9 Ų | 90.9 | 2% | 0.022 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 177.6 | 176.4 | -103.9 | 0 | 0 | 0 | 112.5 | I16 R19 Y28 L53 F54 Q59 R60 E61 | I16-F57 HydrophobicContact CB-CB 4.04Å; I16-F57 HydrophobicContact CB-CD2 4.12Å; I16-F57 HydrophobicContact CB-CG 4.15Å; I16-F57 HydrophobicContact CG2-CB 4.14Å; I16-F57 HydrophobicContact CG2-CD1 4.25Å; I16-F57 HydrophobicContact CG2-CD2 3.55Å; I16-F57 HydrophobicContact CG2-CE2 4Å; I16-F57 HydrophobicContact CG2-CG 3.69Å; I16-F57 WeakPolarHBondContact O-CD2 3.46Å; R19-F57 HydrophobicContact CB-CE1 3.73Å; R19-F57 HydrophobicContact CB-CZ 3.63Å; Y28-F57 HydrophobicContact CD1-CE1 4.45Å; Y28-F57 HydrophobicContact CE1-CD1 4.09Å; Y28-F57 HydrophobicContact CE1-CE1 4.03Å; L53-F57 VanDerWaalsContact O-CB 3.28Å; L53-F57 WeakPolarHBondContact O-CB 3.47Å; L53-F57 PolarHBondContact O-N 3.28Å; F54-F57 PolarHBondContact O-N 3.05Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.95Å; F57-R60 PolarHBondContact O-N 3.15Å; F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CD2-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.75Å; F57-E61 HydrophobicContact CE2-CG 3.81Å; F57-E61 HydrophobicContact CG-CG 4.5Å; F57-E61 HydrophobicContact CZ-CG 3.5Å; F57-E61 WeakPolarHBondContact O-CB 3.3Å; F57-E61 WeakPolarHBondContact O-CG 3.45Å; F57-E61 PolarHBondContact O-N 3.33Å |
| 58 | E | 95.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 87.6 Ų | 87.6 | 47% | 0.467 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.1 | -35.7 | 178.6 | -72.3 | -175.7 | 171.8 | 0 | 0 | 112.5 | F54 R62 | F54-E58 WeakPolarHBondContact O-CB 3.36Å; F54-E58 WeakPolarHBondContact O-CG 3.49Å; F54-E58 PolarHBondContact O-N 2.73Å; E58-R62 VanDerWaalsContact O-CB 3.3Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 PolarHBondContact O-N 2.86Å |
| 59 | Q | 94.6 | Very high | 91 | Very high | 101 Ų | 101 | 92.9 Ų | 92.9 | 47% | 0.472 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 174.7 | -179 | 61.1 | 23.7 | 0 | 0 | 110.7 | A55 A56 F57 R62 E63 | A55-Q59 VanDerWaalsContact O-CB 3.24Å; A55-Q59 WeakPolarHBondContact O-CB 3.46Å; A55-Q59 PolarHBondContact O-N 2.77Å; A56-Q59 PolarHBondContact O-N 2.8Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.95Å; Q59-R62 PolarHBondContact O-N 2.68Å; Q59-E63 WeakPolarHBondContact O-CB 3.45Å; Q59-E63 PolarHBondContact O-N 3.34Å |
| 60 | R | 93.3 | Very high | 89.5 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.8 | -177.2 | -173.4 | -67.7 | -165.8 | -9.1 | 111.9 | A56 F57 R62 E63 R64 | A56-R60 WeakPolarHBondContact O-CB 3.36Å; A56-R60 PolarHBondContact O-N 3.16Å; F57-R60 PolarHBondContact O-N 3.15Å; R60-R62 PolarHBondContact O-N 3.17Å; R60-E63 PolarHBondContact O-N 3.1Å; R60-R64 WeakPolarHBondContact O-CB 3.13Å; R60-R64 PolarHBondContact O-N 3.19Å |
| 61 | E | 91.6 | Very high | 87.8 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 177 | -74.9 | -75.4 | 89.2 | 0 | 0 | 111.3 | F57 E63 R64 E65 | F57-E61 HydrophobicContact CD1-CG 4.24Å; F57-E61 HydrophobicContact CD2-CG 4.3Å; F57-E61 HydrophobicContact CE1-CG 3.75Å; F57-E61 HydrophobicContact CE2-CG 3.81Å; F57-E61 HydrophobicContact CG-CG 4.5Å; F57-E61 HydrophobicContact CZ-CG 3.5Å; F57-E61 WeakPolarHBondContact O-CB 3.3Å; F57-E61 WeakPolarHBondContact O-CG 3.45Å; F57-E61 PolarHBondContact O-N 3.33Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 3.26Å; E61-R64 PolarHBondContact O-N 3.39Å; E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.01Å |
| 62 | R | 92.2 | Very high | 86.1 | Confident | 150 Ų | 150 | 109.2 Ų | 109.2 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -41 | 176 | 178.9 | -175.2 | -64.8 | 160.3 | 3.5 | 112.1 | E58 Q59 R60 E65 L66 | E58-R62 VanDerWaalsContact O-CB 3.3Å; E58-R62 WeakPolarHBondContact O-CB 3.37Å; E58-R62 PolarHBondContact O-N 2.86Å; Q59-R62 PolarHBondContact O-N 2.68Å; R60-R62 PolarHBondContact O-N 3.17Å; R62-E65 PolarHBondContact O-N 3.39Å; R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 PolarHBondContact O-N 2.9Å |
| 63 | E | 90.8 | Very high | 84.8 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 178.2 | -173.3 | 166.8 | -169.1 | 0 | 0 | 110.8 | Q59 R60 E61 E65 L66 Y67 | Q59-E63 WeakPolarHBondContact O-CB 3.45Å; Q59-E63 PolarHBondContact O-N 3.34Å; R60-E63 PolarHBondContact O-N 3.1Å; E61-E63 VanDerWaalsContact C-N 3.34Å; E61-E63 PolarHBondContact O-N 3.26Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.86Å; E63-L66 PolarHBondContact O-N 3.25Å; E63-Y67 HydrophobicContact CG-CD2 3.78Å; E63-Y67 HydrophobicContact CG-CE2 4.33Å; E63-Y67 WeakPolarHBondContact O-CB 3.42Å; E63-Y67 WeakPolarHBondContact O-CD2 3.31Å; E63-Y67 PolarHBondContact O-N 3.01Å |
| 64 | R | 88 | Confident | 83.5 | Confident | 120 Ų | 120 | 107.5 Ų | 107.5 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -36.8 | 171.5 | -173.1 | -176.8 | -72.3 | -119.2 | 1.8 | 112.1 | R60 E61 L66 G68 E206 | R60-R64 WeakPolarHBondContact O-CB 3.13Å; R60-R64 PolarHBondContact O-N 3.19Å; E61-R64 PolarHBondContact O-N 3.39Å; R64-L66 VanDerWaalsContact C-N 3.35Å; R64-G68 WeakPolarHBondContact O-CA 3.21Å; R64-G68 PolarHBondContact O-N 2.86Å; R64-E206 IonicContact CZ-OE1 2.9Å; R64-E206 IonicContact NH1-OE1 3.69Å; R64-E206 PolarHBondContact NH1-OE1 3.13Å; R64-E206 IonicContact NH2-OE1 2.7Å; R64-E206 PolarHBondContact NH2-OE1 2.7Å |
| 65 | E | 86.3 | Confident | 81.9 | Confident | 167 Ų | 167 | 114.6 Ų | 114.6 | 78% | 0.78 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -34 | 173.4 | -75.7 | 178.9 | 175.3 | 0 | 0 | 112.9 | E61 R62 E63 | E61-E65 WeakPolarHBondContact O-CG 3.45Å; E61-E65 PolarHBondContact O-N 3.01Å; R62-E65 PolarHBondContact O-N 3.39Å; E63-E65 VanDerWaalsContact C-N 3.3Å; E63-E65 PolarHBondContact O-N 2.86Å |
| 66 | L | 81.1 | Confident | 80.2 | Confident | 98 Ų | 98 | 117.5 Ų | 117.5 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -83.9 | -37.6 | -176 | -173.7 | 60.6 | 0 | 0 | 0 | 113.2 | R62 E63 R64 K70 | R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 PolarHBondContact O-N 2.9Å; E63-L66 PolarHBondContact O-N 3.25Å; R64-L66 VanDerWaalsContact C-N 3.35Å; L66-K70 WeakPolarHBondContact O-CE 3.15Å |
| 67 | Y | 76.3 | Confident | 78.6 | Confident | 169 Ų | 169 | 123 Ų | 123 | 66% | 0.663 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -116.3 | -9.7 | -173.3 | -64.3 | -80.9 | 0 | 0 | 0 | 114.3 | E63 | E63-Y67 HydrophobicContact CG-CD2 3.78Å; E63-Y67 HydrophobicContact CG-CE2 4.33Å; E63-Y67 WeakPolarHBondContact O-CB 3.42Å; E63-Y67 WeakPolarHBondContact O-CD2 3.31Å; E63-Y67 PolarHBondContact O-N 3.01Å |
| 68 | G | 78.2 | Confident | 77.1 | Confident | 22 Ų | 22 | 127.1 Ų | 127.1 | 23% | 0.227 | 61% | 0.61 | C | S | . | * | S | Bend | trans | -56 | 161.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R64 K70 | R64-G68 WeakPolarHBondContact O-CA 3.21Å; R64-G68 PolarHBondContact O-N 2.86Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.4Å |
| 69 | P | 70.2 | Confident | 75.4 | Confident | 130 Ų | 130 | 130.8 Ų | 130.8 | 84% | 0.844 | 63% | 0.625 | S | S | * | * | trans | -49.1 | 97.1 | -165.3 | -27.4 | 33 | 0 | 0 | 0 | 110.4 | K71 | P69-K71 PolarHBondContact O-N 2.99Š| ||
| 70 | K | 64.7 | Low | 73.8 | Confident | 164 Ų | 164 | 132.2 Ų | 132.2 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | trans | -64.1 | 97 | 175.6 | -78.1 | -173.6 | 178.4 | 169 | 0 | 103.4 | L66 G68 R72 | L66-K70 WeakPolarHBondContact O-CE 3.15Å; G68-K70 VanDerWaalsContact C-N 3.33Å; G68-K70 PolarHBondContact O-N 3.4Å; K70-R72 VanDerWaalsContact C-N 3.31Å; K70-R72 PolarHBondContact O-N 2.88Å | ||
| 71 | K | 61.2 | Low | 72.1 | Confident | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | trans | -36.7 | 106.4 | 173.3 | -68.8 | -102.7 | -179.8 | -171.7 | 0 | 103.6 | P69 G73 | P69-K71 PolarHBondContact O-N 2.99Å; K71-G73 PolarHBondContact O-N 3.45Å | ||
| 72 | R | 61.6 | Low | 70.4 | Confident | 241 Ų | 241 | 137.4 Ų | 137.4 | 91% | 0.909 | 66% | 0.664 | S | S | * | * | trans | -53.2 | 106.6 | 175.7 | -79 | -172.1 | 168.1 | 166.3 | -1.4 | 102.5 | K70 | K70-R72 VanDerWaalsContact C-N 3.31Å; K70-R72 PolarHBondContact O-N 2.88Å | ||
| 73 | G | 69.1 | Low | 68.7 | Low | 45 Ų | 45 | 133.7 Ų | 133.7 | 46% | 0.464 | 67% | 0.665 | S | S | . | * | trans | -51.4 | 154.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | K71 K75 | K71-G73 PolarHBondContact O-N 3.45Å; G73-K75 PolarHBondContact O-N 3.27Å | ||
| 74 | P | 71.4 | Confident | 67 | Low | 131 Ų | 131 | 134.6 Ų | 134.6 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -39.8 | 114.3 | -179.4 | -28.5 | 33.2 | 0 | 0 | 0 | 109 | P76 | P74-P76 VanDerWaalsContact O-N 3.07Š|
| 75 | K | 63.9 | Low | 65.5 | Low | 188 Ų | 188 | 132.6 Ų | 132.6 | 82% | 0.817 | 68% | 0.679 | S | S | * | * | trans | -37.3 | 121.9 | -167.3 | -77.7 | -179.8 | 177.7 | 175.7 | 0 | 107.9 | G73 K77 | G73-K75 PolarHBondContact O-N 3.27Å; K75-K77 PolarHBondContact O-N 2.83Å | ||
| 76 | P | 60.3 | Low | 64.1 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | trans | -52.4 | 111.9 | -177.8 | 20.2 | -31.1 | 0 | 0 | 0 | 106.4 | P74 T78 | P74-P76 VanDerWaalsContact O-N 3.07Å; P76-T78 PolarHBondContact O-N 3.47Å | ||
| 77 | K | 64.1 | Low | 62.7 | Low | 178 Ų | 178 | 132.2 Ų | 132.2 | 77% | 0.774 | 69% | 0.69 | S | S | * | * | trans | -54.5 | 118.8 | 179.5 | -75.9 | 179.7 | 178.8 | 175.2 | 0 | 104.5 | K75 F79 L81 | K75-K77 PolarHBondContact O-N 2.83Å; K77-F79 PolarHBondContact O-N 2.84Å; K77-L81 HydrophobicContact CD-CD2 4.49Å | ||
| 78 | T | 64 | Low | 61.6 | Low | 91 Ų | 91 | 133.2 Ų | 133.2 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | trans | -45.8 | 134.5 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 107.8 | P76 L80 L81 | P76-T78 PolarHBondContact O-N 3.47Å; T78-L80 PolarHBondContact O-N 2.99Å; T78-L81 PolarHBondContact O-N 2.92Å | ||
| 79 | F | 60.1 | Low | 60.4 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -48.7 | -19.7 | -177.7 | -179.4 | -100.3 | 0 | 0 | 0 | 113.3 | K77 L81 K82 A83 | K77-F79 PolarHBondContact O-N 2.84Å; F79-L81 VanDerWaalsContact C-N 3.35Å; F79-L81 PolarHBondContact O-N 2.85Å; F79-K82 PolarHBondContact O-N 2.8Å; F79-K82 VanDerWaalsContact O-N 3.14Å; F79-A83 PolarHBondContact O-N 3.13Å |
| 80 | L | 60.7 | Low | 59.5 | Low | 132 Ų | 132 | 141.5 Ų | 141.5 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -60.4 | -27.4 | 170.6 | -69.4 | 171.1 | 0 | 0 | 0 | 115.5 | T78 Q84 | T78-L80 PolarHBondContact O-N 2.99Å; L80-Q84 PolarHBondContact O-NE2 3.45Å; L80-Q84 VanDerWaalsContact O-NE2 3.08Å |
| 81 | L | 57.5 | Low | 59 | Low | 93 Ų | 93 | 139.5 Ų | 139.5 | 49% | 0.487 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -78.4 | -23.3 | 172.7 | -101.9 | 79.4 | 0 | 0 | 0 | 113 | K77 T78 F79 Q84 | K77-L81 HydrophobicContact CD-CD2 4.49Å; T78-L81 PolarHBondContact O-N 2.92Å; F79-L81 VanDerWaalsContact C-N 3.35Å; F79-L81 PolarHBondContact O-N 2.85Å; L81-Q84 WeakPolarHBondContact O-CG 3.45Å |
| 82 | K | 56 | Low | 58.1 | Low | 172 Ų | 172 | 140.3 Ų | 140.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -80.4 | -21.8 | -179.3 | -162.5 | 155.6 | -178.3 | 163 | 0 | 112.7 | F79 | F79-K82 PolarHBondContact O-N 2.8Å; F79-K82 VanDerWaalsContact O-N 3.14Å |
| 83 | A | 57.1 | Low | 57.9 | Low | 72 Ų | 72 | 136.6 Ų | 136.6 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -75.3 | -31.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F79 | F79-A83 PolarHBondContact O-N 3.13Å |
| 84 | Q | 55.9 | Low | 56.1 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 57% | 0.565 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -86.1 | -12.4 | -175.5 | 46.2 | -172.2 | -38.5 | 0 | 0 | 114.5 | L80 L81 | L80-Q84 PolarHBondContact O-NE2 3.45Å; L80-Q84 VanDerWaalsContact O-NE2 3.08Å; L81-Q84 WeakPolarHBondContact O-CG 3.45Å |
| 85 | A | 55.2 | Low | 55 | Low | 79 Ų | 79 | 146.5 Ų | 146.5 | 65% | 0.653 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -14 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 86 | K | 56.7 | Low | 54.1 | Low | 189 Ų | 189 | 142.4 Ų | 142.4 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -2.6 | 176.7 | -94.3 | -169.1 | 172.1 | -174.6 | 0 | 114.6 | ||
| 87 | G | 53.4 | Low | 53.1 | Low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -90.5 | -5.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 88 | K | 52.4 | Low | 52.8 | Low | 189 Ų | 189 | 141.5 Ų | 141.5 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -121.5 | 39.7 | -172.9 | -56.4 | -173.6 | -176.5 | -174.8 | 0 | 113.1 | ||
| 89 | T | 52.1 | Low | 52.2 | Low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -146.8 | 78.4 | 168.8 | 51 | 0 | 0 | 0 | 0 | 108.9 | ||
| 90 | K | 52.2 | Low | 51.9 | Low | 213 Ų | 213 | 147.4 Ų | 147.4 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | 172.8 | 76.6 | 149.6 | -95.8 | 164.6 | -177.9 | -172.1 | 0 | 109.7 | ||||
| 91 | S | 54.8 | Low | 51.7 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -132 | 80 | 150.9 | 61.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 92 | Y | 41.7 | Very low | 51.3 | Low | 214 Ų | 214 | 148.5 Ų | 148.5 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -153.6 | 109.9 | 159.6 | -168.4 | -108.3 | 0 | 0 | 0 | 107.9 | ||||
| 93 | E | 56.9 | Low | 51.2 | Low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -59.7 | 141.9 | 170.2 | -62 | -179.4 | 147.6 | 0 | 0 | 110.2 | ||||
| 94 | F | 32.2 | Very low | 51 | Low | 187 Ų | 187 | 149.2 Ų | 149.2 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -153.4 | 135.1 | 131.5 | -161 | -106.9 | 0 | 0 | 0 | 110.1 | ||||
| 95 | R | 48.1 | Very low | 51.1 | Low | 198 Ų | 198 | 148.3 Ų | 148.3 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -69.1 | 159 | -174.2 | -59 | 173.5 | -160.1 | 163.5 | 8 | 112.1 | ||||
| 96 | S | 45.2 | Very low | 51.1 | Low | 101 Ų | 101 | 153.4 Ų | 153.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 59.4 | 110.3 | 140.6 | 56.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 97 | E | 39.8 | Very low | 51.5 | Low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | -150.4 | 115.9 | 123.7 | -154.6 | 92.5 | -128 | 0 | 0 | 107.9 | |||||
| 98 | A | 56.8 | Low | 51.4 | Low | 86 Ų | 86 | 152.7 Ų | 152.7 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -68.2 | 141.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 99 | L | 51.7 | Low | 51.7 | Low | 159 Ų | 159 | 149.3 Ų | 149.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 167.8 | 136.6 | 133.5 | -88.3 | 166.8 | 0 | 0 | 0 | 110.5 | ||||
| 100 | R | 53.4 | Low | 52 | Low | 233 Ų | 233 | 152 Ų | 152 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | 89.2 | 81 | 166.4 | -57.1 | -173.7 | -69.7 | -132.4 | 3.3 | 116.9 | ||||
| 101 | G | 56.9 | Low | 52.5 | Low | 77 Ų | 77 | 147.5 Ų | 147.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | 13.9 | 105.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 102 | M | 49.4 | Very low | 52.3 | Low | 172 Ų | 172 | 147.5 Ų | 147.5 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -138.9 | 92.7 | 140.3 | -67.8 | -164.8 | 76.6 | 0 | 0 | 106.8 | V104 | M102-V104 PolarHBondContact O-N 2.7Š| ||
| 103 | H | 52.4 | Low | 53.1 | Low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | -78.7 | 93.3 | 170.5 | -174.3 | -113 | 0 | 0 | 0 | 107.6 | T105 | H103-T105 PolarHBondContact CE1-OG1 3.44Å; H103-T105 PolarHBondContact ND1-OG1 2.66Å | ||
| 104 | V | 54.9 | Low | 53 | Low | 85 Ų | 85 | 144.1 Ų | 144.1 | 52% | 0.515 | 76% | 0.764 | S | S | . | * | trans | -93.4 | 96.8 | 170.7 | -173 | 0 | 0 | 0 | 0 | 107.3 | M102 Y106 | M102-V104 PolarHBondContact O-N 2.7Å; V104-Y106 HydrophobicContact CB-CD2 4.42Å; V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 3.71Å; V104-Y106 HydrophobicContact CG1-CE1 4.34Å; V104-Y106 HydrophobicContact CG1-CE2 3.27Å; V104-Y106 HydrophobicContact CG1-CG 4.41Å; V104-Y106 PolarHBondContact O-N 3.34Å; V104-Y106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | T | 57.3 | Low | 54 | Low | 102 Ų | 102 | 140.7 Ų | 140.7 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -75 | 97.6 | 169.6 | -46.7 | 0 | 0 | 0 | 0 | 108 | H103 | H103-T105 PolarHBondContact CE1-OG1 3.44Å; H103-T105 PolarHBondContact ND1-OG1 2.66Å | ||
| 106 | Y | 55.2 | Low | 54.5 | Low | 185 Ų | 185 | 142.1 Ų | 142.1 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | trans | -77.3 | 131.8 | 160.9 | -71 | -82.3 | 0 | 0 | 0 | 108 | V104 T108 | V104-Y106 HydrophobicContact CB-CD2 4.42Å; V104-Y106 HydrophobicContact CB-CE2 4.05Å; V104-Y106 HydrophobicContact CG1-CD2 3.71Å; V104-Y106 HydrophobicContact CG1-CE1 4.34Å; V104-Y106 HydrophobicContact CG1-CE2 3.27Å; V104-Y106 HydrophobicContact CG1-CG 4.41Å; V104-Y106 PolarHBondContact O-N 3.34Å; V104-Y106 VanDerWaalsContact O-N 3.16Å; Y106-T108 PolarHBondContact O-N 3.36Å | ||
| 107 | P | 64.6 | Low | 54.9 | Low | 121 Ų | 121 | 141.9 Ų | 141.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -63 | 112.5 | 166 | 25.1 | -29.4 | 0 | 0 | 0 | 108.1 | ||||
| 108 | T | 51.9 | Low | 55.6 | Low | 121 Ų | 121 | 142.9 Ų | 142.9 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.3 | 170.5 | -51.3 | 0 | 0 | 0 | 0 | 108.9 | Y106 E110 | Y106-T108 PolarHBondContact O-N 3.36Å; T108-E110 PolarHBondContact O-N 3.13Å |
| 109 | P | 57.5 | Low | 55.6 | Low | 118 Ų | 118 | 147.4 Ų | 147.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 117.1 | 165.4 | 26 | -29.3 | 0 | 0 | 0 | 107.9 | ||
| 110 | E | 59.3 | Low | 56 | Low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135 | 172.6 | -87.7 | -173.9 | 140.2 | 0 | 0 | 110.5 | T108 V112 | T108-E110 PolarHBondContact O-N 3.13Å; E110-V112 PolarHBondContact O-N 3.43Å |
| 111 | P | 63.4 | Low | 56.2 | Low | 120 Ų | 120 | 138.6 Ų | 138.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -69.3 | 98.8 | 167.6 | 28.5 | -30.9 | 0 | 0 | 0 | 108.3 | F113 | P111-F113 PolarHBondContact O-N 2.73Š| ||
| 112 | V | 50.2 | Low | 56.1 | Low | 122 Ų | 122 | 146.9 Ų | 146.9 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -65 | 102.1 | 168.9 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | E110 T114 | E110-V112 PolarHBondContact O-N 3.43Å; V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 HydrophobicContact CG1-CG2 4.14Å; V112-T114 PolarHBondContact O-N 3.13Å | ||
| 113 | F | 58 | Low | 56.6 | Low | 194 Ų | 194 | 143 Ų | 143 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -73.5 | 89.6 | 169.9 | -151.2 | -93.4 | 0 | 0 | 0 | 107.6 | P111 | P111-F113 PolarHBondContact O-N 2.73Š| ||
| 114 | T | 55.6 | Low | 56.7 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -66.6 | 125.7 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 108.8 | V112 R116 | V112-T114 VanDerWaalsContact C-N 3.34Å; V112-T114 HydrophobicContact CG1-CG2 4.14Å; V112-T114 PolarHBondContact O-N 3.13Å; T114-R116 PolarHBondContact O-N 3.38Å | ||
| 115 | P | 52.8 | Low | 56.6 | Low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | trans | -66.7 | 135.6 | -178.6 | 26.5 | -32.2 | 0 | 0 | 0 | 110.6 | A117 | P115-A117 PolarHBondContact O-N 3.5Š| ||
| 116 | R | 58 | Low | 56.4 | Low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -40.8 | 102.9 | 163.4 | 179.8 | 171 | -176.3 | 154 | 0.7 | 112 | T114 | T114-R116 PolarHBondContact O-N 3.38Š| ||
| 117 | A | 54.6 | Low | 56.5 | Low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -167.8 | 88.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110 | P115 | P115-A117 PolarHBondContact O-N 3.5Š| ||
| 118 | R | 54.3 | Low | 56.4 | Low | 212 Ų | 212 | 141.7 Ų | 141.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | 174.3 | 64.3 | 129.9 | -144.5 | 167.2 | 173.6 | 179 | -3.3 | 109.3 | G120 | R118-G120 PolarHBondContact O-N 2.78Å; R118-G120 VanDerWaalsContact O-N 3.1Å | |||
| 119 | E | 56.8 | Low | 56.4 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -56.4 | 102.9 | 148.1 | 179.5 | 176.1 | -178.7 | 0 | 0 | 106.6 | ||||
| 120 | G | 58.5 | Low | 56.8 | Low | 55 Ų | 55 | 143.5 Ų | 143.5 | 57% | 0.567 | 77% | 0.77 | S | S | * | * | trans | 149.3 | 53.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R118 | R118-G120 PolarHBondContact O-N 2.78Å; R118-G120 VanDerWaalsContact O-N 3.1Å | ||
| 121 | L | 58.4 | Low | 56.6 | Low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -153.4 | 44.8 | 156.7 | -120.7 | 120.1 | 0 | 0 | 0 | 111.7 | ||||
| 122 | R | 55.7 | Low | 56.3 | Low | 250 Ų | 250 | 141 Ų | 141 | 94% | 0.943 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -128.7 | 55.7 | 171.8 | -73.5 | -97.9 | -179.2 | 178.3 | -1.6 | 109.2 | ||
| 123 | A | 58.7 | Low | 56.3 | Low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -168.4 | 63 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 124 | V | 56 | Low | 56 | Low | 139 Ų | 139 | 136.4 Ų | 136.4 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | trans | -149.3 | 77.2 | 149.1 | -166.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 125 | V | 51.3 | Low | 55.6 | Low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | trans | -120.1 | 113.7 | 151.2 | 177.1 | 0 | 0 | 0 | 0 | 104.5 | T127 | V125-T127 PolarHBondContact O-N 2.84Š| ||
| 126 | P | 54 | Low | 55.4 | Low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -57.8 | 116.5 | 173.2 | -21.9 | 32.7 | 0 | 0 | 0 | 109 | I128 | P126-I128 HydrophobicContact CB-CG1 4.47Å; P126-I128 PolarHBondContact O-N 2.94Å | ||
| 127 | T | 57.8 | Low | 55.2 | Low | 133 Ų | 133 | 135.4 Ų | 135.4 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -64.3 | 97.8 | 165.8 | 36.2 | 0 | 0 | 0 | 0 | 108.4 | V125 | V125-T127 PolarHBondContact O-N 2.84Š| ||
| 128 | I | 61.7 | Low | 54.7 | Low | 140 Ų | 140 | 138.3 Ų | 138.3 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | -81.5 | -5 | 176.2 | -55.4 | 174.8 | 0 | 0 | 0 | 111.3 | P126 | P126-I128 HydrophobicContact CB-CG1 4.47Å; P126-I128 PolarHBondContact O-N 2.94Å | ||
| 129 | F | 52.6 | Low | 54.3 | Low | 171 Ų | 171 | 133.6 Ų | 133.6 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -143.7 | 129 | 175.4 | -74.7 | -83.4 | 0 | 0 | 0 | 112.7 | ||
| 130 | P | 65.4 | Low | 53.3 | Low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | trans | -72.9 | 134.4 | 170.7 | 28.7 | -31.2 | 0 | 0 | 0 | 110.5 | S132 | P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.37Å | ||
| 131 | P | 55.8 | Low | 52.6 | Low | 137 Ų | 137 | 140.1 Ų | 140.1 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -82 | 72.3 | 177.7 | 34.3 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 132 | S | 55.1 | Low | 51.7 | Low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -157.7 | 66.6 | 166.8 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | P130 | P130-S132 VanDerWaalsContact C-N 3.26Å; P130-S132 PolarHBondContact O-N 3.37Å | ||
| 133 | A | 51.1 | Low | 51 | Low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -149.9 | 66.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 134 | V | 52.1 | Low | 50.1 | Low | 119 Ų | 119 | 137.6 Ų | 137.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -70.7 | 133.6 | 163.3 | -158.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 135 | N | 47.6 | Very low | 49 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | 76.1 | 113 | 163.3 | -48.9 | -56.7 | 0 | 0 | 0 | 117.4 | ||||
| 136 | R | 48.3 | Very low | 48.1 | Very low | 216 Ų | 216 | 138.5 Ų | 138.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | -167.4 | 124.5 | 100.4 | -95.5 | 166.7 | -172.5 | 101.8 | -4.1 | 109.4 | E138 | R136-E138 PolarHBondContact O-N 3.46Š| |||
| 137 | G | 52.5 | Low | 47.3 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -65.4 | 111.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 138 | E | 45.1 | Very low | 46.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -135.1 | 104.6 | 165.8 | -74.8 | -174.7 | 179.6 | 0 | 0 | 107.3 | R136 M140 | R136-E138 PolarHBondContact O-N 3.46Å; E138-M140 PolarHBondContact O-N 2.98Å; E138-M140 VanDerWaalsContact O-N 3.09Å | ||
| 139 | S | 45.3 | Very low | 44.7 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 95.5 | 170.8 | 146.6 | 0 | 0 | 0 | 0 | 107.8 | R141 | S139-R141 PolarHBondContact O-N 2.66Å; S139-R141 VanDerWaalsContact O-N 3.09Å | ||
| 140 | M | 36.4 | Very low | 43.9 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -69.1 | 101 | 165.7 | -72.8 | -123.2 | -64.9 | 0 | 0 | 109.2 | E138 V142 | E138-M140 PolarHBondContact O-N 2.98Å; E138-M140 VanDerWaalsContact O-N 3.09Å; M140-V142 PolarHBondContact O-N 3.17Å | ||
| 141 | R | 42.8 | Very low | 42.3 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 107.9 | 161 | -87.3 | -172.7 | -176.8 | 174.1 | 1.2 | 107.8 | S139 | S139-R141 PolarHBondContact O-N 2.66Å; S139-R141 VanDerWaalsContact O-N 3.09Å | ||
| 142 | V | 41.2 | Very low | 41.3 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -90 | 117.2 | 165.4 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | M140 | M140-V142 PolarHBondContact O-N 3.17Š|
| 143 | R | 39.5 | Very low | 40.4 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 146.1 | 167.5 | -80.9 | -81.3 | 134.4 | 107.3 | -8.6 | 109.8 | ||
| 144 | P | 40.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 128.7 | 147.2 | 2.6 | 17.1 | 0 | 0 | 0 | 109.3 | ||
| 145 | S | 32.8 | Very low | 38.7 | Very low | 107 Ų | 107 | 149 Ų | 149 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -92 | 125.7 | 173.4 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | ||
| 146 | E | 33.6 | Very low | 38.1 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | trans | 54.8 | 116.9 | 133.5 | -61.2 | -173.3 | 170.7 | 0 | 0 | 121.4 | ||||
| 147 | L | 35.8 | Very low | 37.7 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 94% | 0.942 | 76% | 0.758 | S | S | * | * | trans | -123.3 | 149.6 | 132.3 | -74.4 | 177.7 | 0 | 0 | 0 | 109.6 | ||||
| 148 | S | 33.5 | Very low | 37.1 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | -91.9 | 174 | -147.7 | 53.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 149 | L | 32.4 | Very low | 36.7 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 93.4 | 96 | 156.6 | -67.5 | 163.5 | 0 | 0 | 0 | 117.2 | ||||
| 150 | H | 36 | Very low | 36 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | -174.4 | 134.3 | 86.4 | -124.1 | -66.8 | 0 | 0 | 0 | 111.9 | |||||
| 151 | E | 30.7 | Very low | 35.7 | Very low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | trans | -76.2 | 139.5 | 174.4 | -177.7 | -179.9 | 162.7 | 0 | 0 | 111.6 | ||||
| 152 | H | 35.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | 172.4 | 107.2 | 128.9 | -92.4 | 76.5 | 0 | 0 | 0 | 110.1 | |||||
| 153 | Q | 34.8 | Very low | 35 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | 57.1 | 132.1 | 114 | -81.5 | -161.7 | 37.3 | 0 | 0 | 116.5 | |||||
| 154 | R | 34.1 | Very low | 34.9 | Very low | 196 Ų | 196 | 136.7 Ų | 136.7 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | cis | -173.3 | 145.4 | 9.5 | -135.5 | 178.6 | -171.5 | 147.4 | -8.6 | 109.7 | ||||
| 155 | S | 34.6 | Very low | 34.7 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 50.6 | 129.2 | 139.1 | 59.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 156 | S | 35.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | 179.2 | 120.8 | 86.1 | 168.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 157 | L | 38.4 | Very low | 35 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 44.6 | 141.8 | 138.2 | -66.6 | 107 | 0 | 0 | 0 | 120 | ||||
| 158 | Q | 40.1 | Very low | 35.2 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 72% | 0.718 | S | S | * | * | cis | -169.8 | 129.2 | 29.8 | -137.3 | 150.9 | 17.2 | 0 | 0 | 106.7 | ||||
| 159 | Q | 37.3 | Very low | 35.6 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | 44.2 | 134.6 | 100 | -64.1 | -176.4 | -15.8 | 0 | 0 | 114.6 | |||||
| 160 | T | 31.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 64% | 0.638 | 73% | 0.726 | S | S | * | * | cis | -163.2 | 149.8 | 49.7 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 161 | D | 29.8 | Very low | 36.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | 51.5 | 157.8 | 130.5 | -52.3 | -20.6 | 0 | 0 | 0 | 122 | ||||
| 162 | S | 33.3 | Very low | 37.8 | Very low | 91 Ų | 91 | 143.2 Ų | 143.2 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -177.9 | 136.1 | -29.3 | 54.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 163 | D | 35.7 | Very low | 39 | Very low | 166 Ų | 166 | 139 Ų | 139 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | 148.7 | 132.5 | 140 | -80.6 | -22.7 | 0 | 0 | 0 | 114 | ||||
| 164 | G | 36.4 | Very low | 40.1 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | -98.8 | 159.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 165 | H | 38.2 | Very low | 41 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -160.5 | 103.7 | 146.8 | -152.4 | 71.6 | 0 | 0 | 0 | 112.1 | ||||
| 166 | V | 36.3 | Very low | 41.7 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 58% | 0.576 | 76% | 0.762 | S | S | * | * | 32.4 | 119.8 | 127.8 | -170.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 167 | Q | 34.5 | Very low | 42.5 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 94.1 | 123.2 | 139.1 | -81.8 | 178 | 66.8 | 0 | 0 | 124.7 | ||||
| 168 | T | 40.6 | Very low | 43.3 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | trans | 101.3 | 124.8 | 145.1 | 72.8 | 0 | 0 | 0 | 0 | 119.5 | K170 | T168-K170 PolarHBondContact O-N 3Š| ||
| 169 | P | 41.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 149.5 Ų | 149.5 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | trans | -87.4 | 109.1 | 173.4 | 33 | -28.8 | 0 | 0 | 0 | 110.5 | K171 | P169-K171 PolarHBondContact O-N 3Š| ||
| 170 | K | 47.8 | Very low | 43.7 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 102.6 | 170.2 | -73 | 179.8 | 179 | 173.3 | 0 | 109.9 | T168 R172 | T168-K170 PolarHBondContact O-N 3Å; K170-R172 PolarHBondContact O-N 3.28Å; K170-R172 VanDerWaalsContact O-N 3.11Å | ||
| 171 | K | 46.1 | Very low | 44.4 | Very low | 209 Ų | 209 | 151.6 Ų | 151.6 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -52.5 | 111.4 | 162.8 | -68.2 | -173.5 | 177 | -177.3 | 0 | 108.8 | P169 | P169-K171 PolarHBondContact O-N 3Š| ||
| 172 | R | 51.5 | Low | 44.8 | Very low | 244 Ų | 244 | 150.7 Ų | 150.7 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -89.8 | 113.6 | 168.7 | -68.7 | -171.4 | -177.7 | -151.8 | 2.5 | 107.9 | K170 | K170-R172 PolarHBondContact O-N 3.28Å; K170-R172 VanDerWaalsContact O-N 3.11Å | ||
| 173 | G | 61.6 | Low | 45.1 | Very low | 59 Ų | 59 | 154.2 Ų | 154.2 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | trans | -66.3 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K175 | G173-K175 PolarHBondContact O-N 3.05Š| ||
| 174 | P | 57.7 | Low | 45.2 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133 | -171.8 | -22.3 | 33 | 0 | 0 | 0 | 112.7 | ||
| 175 | K | 53.1 | Low | 45.1 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 136.3 | 178.6 | -68.5 | -179 | 178.6 | 177.7 | 0 | 111.2 | G173 | G173-K175 PolarHBondContact O-N 3.05Š|
| 176 | P | 49.7 | Very low | 45.2 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 140.9 | 170.8 | 29.4 | -31.3 | 0 | 0 | 0 | 111.4 | ||
| 177 | K | 52.2 | Low | 46 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 135.3 | 176.7 | -62.6 | 179.8 | 177.5 | -176.5 | 0 | 110.5 | R179 | K177-R179 PolarHBondContact O-N 3.19Š|
| 178 | P | 54.5 | Low | 46 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 130.9 | 173.9 | 28 | -31.1 | 0 | 0 | 0 | 110.1 | ||
| 179 | R | 45.8 | Very low | 45.6 | Very low | 240 Ų | 240 | 156.2 Ų | 156.2 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 128.8 | 170.7 | -66.9 | -174.6 | -179.7 | 128.3 | -1.2 | 108.4 | K177 | K177-R179 PolarHBondContact O-N 3.19Š|
| 180 | F | 39.5 | Very low | 45.3 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73 | 136.3 | 172.2 | -148 | -103.1 | 0 | 0 | 0 | 108.5 | ||
| 181 | V | 47.4 | Very low | 44.9 | Very low | 133 Ų | 133 | 154 Ų | 154 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -112.5 | 124.9 | 164.9 | 175.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 182 | D | 37.9 | Very low | 45.1 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -67.6 | 141.5 | -178.5 | -59.7 | -63.3 | 0 | 0 | 0 | 111.8 | ||||
| 183 | D | 40.2 | Very low | 44.2 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -130.4 | 130.1 | 147.9 | -126.2 | -27.7 | 0 | 0 | 0 | 109.7 | ||||
| 184 | N | 38 | Very low | 43.3 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | -68.8 | 142.9 | -172.4 | -86.3 | -32.4 | 0 | 0 | 0 | 112.1 | ||||
| 185 | F | 34.2 | Very low | 42.6 | Very low | 202 Ų | 202 | 159.3 Ų | 159.3 | 89% | 0.886 | 81% | 0.807 | S | S | * | * | 173.3 | 120.6 | 109.4 | -90.9 | -72.8 | 0 | 0 | 0 | 109.9 | |||||
| 186 | S | 39.4 | Very low | 42.4 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -131.2 | 152.4 | 161.4 | -75.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 187 | P | 52.3 | Low | 41.9 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | -149.4 | 141.5 | 87.5 | 36.7 | -17 | 0 | 0 | 0 | 113.5 | |||||
| 188 | V | 34.9 | Very low | 41.6 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | 133.8 | 126.8 | 78.5 | 135.2 | 0 | 0 | 0 | 0 | 104.9 | |||||
| 189 | V | 33.4 | Very low | 41.3 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | -167.5 | 122.1 | 81.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 190 | S | 34.9 | Very low | 41.2 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 52.1 | 127.5 | 148.1 | 63.9 | 0 | 0 | 0 | 0 | 126.2 | ||||
| 191 | E | 39.3 | Very low | 41.7 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.724 | 73% | 0.725 | S | S | * | * | trans | -81.8 | 174.1 | 165 | -126.9 | -168.8 | -162.1 | 0 | 0 | 112.6 | ||||
| 192 | P | 49.3 | Very low | 42 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | -145.6 | 141.7 | 57.1 | 33.8 | -10.3 | 0 | 0 | 0 | 119.8 | |||||
| 193 | R | 33.8 | Very low | 42.8 | Very low | 216 Ų | 216 | 138 Ų | 138 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | 79.5 | 111.3 | 126.4 | -66 | -176.3 | -176.5 | -156.2 | 1.3 | 122.7 | |||||
| 194 | K | 42.7 | Very low | 43.5 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 93% | 0.926 | 70% | 0.695 | S | S | * | * | trans | -62.6 | 130.4 | 158.1 | -61.7 | 178.8 | 176 | -176 | 0 | 112.2 | ||||
| 195 | R | 42.8 | Very low | 44.4 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 82% | 0.819 | 69% | 0.692 | S | S | * | * | trans | -132.2 | 114.8 | 149.2 | -170.3 | -172.2 | -61.5 | 171.2 | 0.7 | 103.6 | ||||
| 196 | G | 47.5 | Very low | 45.6 | Very low | 40 Ų | 40 | 129.2 Ų | 129.2 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | trans | 171.3 | 47.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 197 | T | 39.5 | Very low | 46.4 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -136.1 | -35.5 | 174.8 | -44.7 | 0 | 0 | 0 | 0 | 109.4 | E201 | T197-E201 WeakPolarHBondContact O-CG 3.5Å; T197-E201 PolarHBondContact O-N 3.19Å |
| 198 | E | 46 | Very low | 46.8 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73 | -37.1 | 170.1 | -66.1 | 178 | 159.7 | 0 | 0 | 112.3 | Q200 E202 | E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.09Å; E198-E202 WeakPolarHBondContact O-CG 3.43Å; E198-E202 PolarHBondContact O-N 3.49Å; E198-E202 VanDerWaalsContact O-N 3.13Å |
| 199 | E | 47.7 | Very low | 48 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.1 | -21.6 | -179.5 | -65.1 | 176 | -172.1 | 0 | 0 | 113.3 | E203 | E199-E203 WeakPolarHBondContact O-CG 3.33Å; E199-E203 PolarHBondContact O-N 3.19Å |
| 200 | Q | 44.4 | Very low | 49.2 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 56% | 0.561 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -89.7 | -32.6 | -177.8 | -159.3 | 159.3 | 50.6 | 0 | 0 | 111.5 | E198 E204 | E198-Q200 VanDerWaalsContact C-N 3.27Å; E198-Q200 PolarHBondContact O-N 3.09Å; Q200-E204 WeakPolarHBondContact O-CG 3.03Å; Q200-E204 PolarHBondContact O-N 2.83Å |
| 201 | E | 50.7 | Low | 50.3 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.3 | -34.2 | 171.5 | -68.8 | 175.4 | -177.4 | 0 | 0 | 111.2 | T197 E205 | T197-E201 WeakPolarHBondContact O-CG 3.5Å; T197-E201 PolarHBondContact O-N 3.19Å; E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 3.24Å; E201-E205 VanDerWaalsContact O-N 3.09Å |
| 202 | E | 54 | Low | 51.2 | Low | 128 Ų | 128 | 130.9 Ų | 130.9 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.7 | -31.3 | 173.7 | -73 | -177.2 | -179.3 | 0 | 0 | 112.9 | E198 E206 | E198-E202 WeakPolarHBondContact O-CG 3.43Å; E198-E202 PolarHBondContact O-N 3.49Å; E198-E202 VanDerWaalsContact O-N 3.13Å; E202-E206 WeakPolarHBondContact O-CB 3.45Å; E202-E206 VanDerWaalsContact O-CG 3.31Å; E202-E206 WeakPolarHBondContact O-CG 3.27Å; E202-E206 PolarHBondContact O-N 3.49Å |
| 203 | E | 53.8 | Low | 51.6 | Low | 117 Ų | 117 | 132.2 Ų | 132.2 | 55% | 0.547 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.9 | -37.1 | 175.4 | -79.3 | -178.9 | 171.3 | 0 | 0 | 112.3 | E199 E207 | E199-E203 WeakPolarHBondContact O-CG 3.33Å; E199-E203 PolarHBondContact O-N 3.19Å; E203-E207 PolarHBondContact O-N 3.5Å |
| 204 | E | 55.6 | Low | 52.6 | Low | 127 Ų | 127 | 128.2 Ų | 128.2 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -36.9 | 176.5 | -71.6 | 179.1 | -175.4 | 0 | 0 | 112.1 | Q200 E208 | Q200-E204 WeakPolarHBondContact O-CG 3.03Å; Q200-E204 PolarHBondContact O-N 2.83Å; E204-E208 PolarHBondContact O-N 3.29Å |
| 205 | E | 56.7 | Low | 53.1 | Low | 136 Ų | 136 | 125.2 Ų | 125.2 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.5 | -32.3 | 174.7 | -73.4 | -175.8 | 176.2 | 0 | 0 | 112.6 | E201 E209 | E201-E205 WeakPolarHBondContact O-CB 3.41Å; E201-E205 WeakPolarHBondContact O-CG 3.45Å; E201-E205 PolarHBondContact O-N 3.24Å; E201-E205 VanDerWaalsContact O-N 3.09Å; E205-E209 PolarHBondContact O-N 3.1Å |
| 206 | E | 58.5 | Low | 53.5 | Low | 51 Ų | 51 | 120.1 Ų | 120.1 | 24% | 0.238 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -72.5 | -32.6 | 175.4 | -76.7 | -172.5 | 161.3 | 0 | 0 | 112.6 | K18 R64 E202 E210 | K18-E206 IonicContact NZ-OE2 3.13Å; K18-E206 PolarHBondContact NZ-OE2 3.25Å; K18-E206 VanDerWaalsContact NZ-OE2 3.13Å; R64-E206 IonicContact CZ-OE1 2.9Å; R64-E206 IonicContact NH1-OE1 3.69Å; R64-E206 PolarHBondContact NH1-OE1 3.13Å; R64-E206 IonicContact NH2-OE1 2.7Å; R64-E206 PolarHBondContact NH2-OE1 2.7Å; E202-E206 WeakPolarHBondContact O-CB 3.45Å; E202-E206 VanDerWaalsContact O-CG 3.31Å; E202-E206 WeakPolarHBondContact O-CG 3.27Å; E202-E206 PolarHBondContact O-N 3.49Å; E206-E210 PolarHBondContact O-N 2.9Å |
| 207 | E | 57.1 | Low | 53.7 | Low | 140 Ų | 140 | 126.3 Ų | 126.3 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.7 | -36.4 | 175.6 | -75.2 | -172.8 | 172.5 | 0 | 0 | 112.2 | E203 E211 | E203-E207 PolarHBondContact O-N 3.5Å; E207-E211 PolarHBondContact O-N 3.26Å |
| 208 | E | 59.6 | Low | 54.1 | Low | 141 Ų | 141 | 130.1 Ų | 130.1 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.4 | -35.9 | 175.9 | -71.9 | -172 | 174.3 | 0 | 0 | 112.7 | E204 E212 | E204-E208 PolarHBondContact O-N 3.29Å; E208-E212 PolarHBondContact O-N 3.29Å |
| 209 | E | 59.8 | Low | 54.1 | Low | 132 Ų | 132 | 128 Ų | 128 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.6 | -33 | 175.6 | -74 | -172.8 | 171.6 | 0 | 0 | 112.7 | E205 E213 | E205-E209 PolarHBondContact O-N 3.1Å; E209-E213 PolarHBondContact O-N 3.46Å |
| 210 | E | 59.9 | Low | 54.2 | Low | 81 Ų | 81 | 131.2 Ų | 131.2 | 38% | 0.379 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.4 | -33.1 | 176 | -74.3 | -167.4 | 172.7 | 0 | 0 | 112.5 | E206 E214 | E206-E210 PolarHBondContact O-N 2.9Å; E210-E214 PolarHBondContact O-N 2.67Å |
| 211 | E | 58.3 | Low | 53.9 | Low | 149 Ų | 149 | 127.8 Ų | 127.8 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.7 | -35.2 | 174.8 | -72.9 | -169.6 | 172.4 | 0 | 0 | 112.7 | E207 E215 | E207-E211 PolarHBondContact O-N 3.26Å; E211-E215 PolarHBondContact O-N 2.96Å |
| 212 | E | 58.1 | Low | 53.9 | Low | 146 Ų | 146 | 128.5 Ų | 128.5 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.2 | -33.8 | 175.6 | -73.1 | -167.2 | 169.3 | 0 | 0 | 112.8 | E208 E216 | E208-E212 PolarHBondContact O-N 3.29Å; E212-E216 PolarHBondContact O-N 2.92Å |
| 213 | E | 57.4 | Low | 53.1 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -71.8 | -33.6 | 175.9 | -74.4 | -167.2 | 171.4 | 0 | 0 | 112.8 | E209 E216 E217 | E209-E213 PolarHBondContact O-N 3.46Å; E213-E216 PolarHBondContact O-N 2.8Å; E213-E217 PolarHBondContact O-N 2.9Å |
| 214 | E | 54.7 | Low | 52.3 | Low | 131 Ų | 131 | 135.6 Ų | 135.6 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68 | -36 | 175.3 | -75.5 | -168.5 | 174.5 | 0 | 0 | 112.2 | E210 E218 | E210-E214 PolarHBondContact O-N 2.67Å; E214-E218 PolarHBondContact O-N 3.11Å |
| 215 | E | 52.7 | Low | 51.4 | Low | 151 Ų | 151 | 138.2 Ų | 138.2 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.4 | -34.7 | 173.7 | -87.3 | -157.8 | 155.8 | 0 | 0 | 113.1 | E211 | E211-E215 PolarHBondContact O-N 2.96Å |
| 216 | E | 52.1 | Low | 50.2 | Low | 110 Ų | 110 | 137 Ų | 137 | 51% | 0.514 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -70.9 | -29.7 | 177.5 | -89.1 | -133.4 | -176.3 | 0 | 0 | 113.2 | E212 E213 T219 R220 | E212-E216 PolarHBondContact O-N 2.92Å; E213-E216 PolarHBondContact O-N 2.8Å; E216-T219 PolarHBondContact O-OG1 3.2Å; E216-R220 IonicContact OE2-CZ 3.13Å; E216-R220 IonicContact OE2-NH1 3.52Å; E216-R220 PolarHBondContact OE2-NH1 3.25Å; E216-R220 IonicContact OE2-NH2 3.05Å; E216-R220 PolarHBondContact OE2-NH2 2.62Å |
| 217 | E | 50.3 | Low | 49.5 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.8 | -30.9 | 177.7 | -134.7 | -170.7 | -177.2 | 0 | 0 | 112.4 | E213 T219 | E213-E217 PolarHBondContact O-N 2.9Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 2.92Å |
| 218 | E | 49.7 | Very low | 48.4 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.9 | -21.1 | 179.7 | -165.5 | 168.4 | -168 | 0 | 0 | 113.3 | E214 | E214-E218 PolarHBondContact O-N 3.11Å |
| 219 | T | 44.3 | Very low | 47.2 | Very low | 108 Ų | 108 | 149 Ų | 149 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -4.2 | -179.7 | 59.4 | 0 | 0 | 0 | 0 | 115.1 | E216 E217 | E216-T219 PolarHBondContact O-OG1 3.2Å; E217-T219 VanDerWaalsContact C-N 3.31Å; E217-T219 PolarHBondContact O-N 2.92Å |
| 220 | R | 50 | Low | 45.8 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 70% | 0.698 | 73% | 0.729 | S | S | * | * | trans | -107.2 | 62.1 | -177.8 | -63.9 | -172.9 | -178.3 | 118.4 | 8.1 | 112.9 | E216 | E216-R220 IonicContact OE2-CZ 3.13Å; E216-R220 IonicContact OE2-NH1 3.52Å; E216-R220 PolarHBondContact OE2-NH1 3.25Å; E216-R220 IonicContact OE2-NH2 3.05Å; E216-R220 PolarHBondContact OE2-NH2 2.62Å | ||
| 221 | G | 38.8 | Very low | 44.5 | Very low | 49 Ų | 49 | 149.5 Ų | 149.5 | 51% | 0.505 | 75% | 0.752 | S | S | . | * | P | Polyproline II helix | trans | -95.3 | 157.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 222 | P | 50.2 | Low | 43.4 | Very low | 133 Ų | 133 | 151.7 Ų | 151.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 132.4 | -147.7 | 33.9 | -34 | 0 | 0 | 0 | 114.7 | ||
| 223 | H | 37.8 | Very low | 42.6 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 89% | 0.889 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 142.2 | 169.3 | -75.8 | -84.5 | 0 | 0 | 0 | 112.9 | ||
| 224 | K | 37.9 | Very low | 41.7 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 143.8 | -165.2 | -63.9 | 171.8 | 177.8 | 175.4 | 0 | 114.5 | ||
| 225 | L | 34.8 | Very low | 40.9 | Very low | 182 Ų | 182 | 159.7 Ų | 159.7 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -51 | 128.3 | 161.6 | -83.7 | 143.7 | 0 | 0 | 0 | 112.1 | ||
| 226 | S | 32.2 | Very low | 40.3 | Very low | 110 Ų | 110 | 160.5 Ų | 160.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -128.7 | 143.7 | 154 | 72 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 227 | K | 44.2 | Very low | 39.6 | Very low | 186 Ų | 186 | 163.2 Ų | 163.2 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | trans | -95.5 | 127.9 | -158.7 | -154.8 | 170.3 | -173.7 | 174.3 | 0 | 108.3 | ||||
| 228 | F | 34.2 | Very low | 39 | Very low | 214 Ų | 214 | 164.1 Ų | 164.1 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -140.7 | 133.4 | 156.1 | -88.5 | -76.1 | 0 | 0 | 0 | 111 | ||||
| 229 | Q | 33.9 | Very low | 38.4 | Very low | 185 Ų | 185 | 163.2 Ų | 163.2 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -125.4 | 142.6 | -177 | 179.7 | 162.9 | 14.5 | 0 | 0 | 106.4 | ||||
| 230 | G | 30.1 | Very low | 38.1 | Very low | 61 Ų | 61 | 162.2 Ų | 162.2 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | trans | 134 | 96.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 231 | D | 33.6 | Very low | 37.5 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | 73.4 | 103.9 | 94.5 | -79.4 | -15 | 0 | 0 | 0 | 112.5 | |||||
| 232 | E | 34.4 | Very low | 37.5 | Very low | 196 Ų | 196 | 171.3 Ų | 171.3 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | 176.9 | 120.9 | 109.8 | -106.7 | -172.9 | 151.5 | 0 | 0 | 111.3 | |||||
| 233 | E | 40.7 | Very low | 36.9 | Very low | 182 Ų | 182 | 173 Ų | 173 | 85% | 0.85 | 84% | 0.84 | S | S | * | * | trans | -73.2 | 129.9 | 161.3 | -176.7 | -178.4 | -151.7 | 0 | 0 | 108.6 | ||||
| 234 | M | 38.8 | Very low | 37.1 | Very low | 176 Ų | 176 | 169 Ų | 169 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | 158.3 | 98.5 | 147.5 | -86.5 | -89.9 | -85 | 0 | 0 | 112 | ||||
| 235 | R | 39 | Very low | 37.2 | Very low | 228 Ų | 228 | 166.8 Ų | 166.8 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | -177.7 | 99.8 | 120.6 | -113 | 178.1 | 148.7 | 106.5 | -5.2 | 111.8 | |||||
| 236 | L | 40.5 | Very low | 37.5 | Very low | 167 Ų | 167 | 165.6 Ų | 165.6 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -62.1 | 129.9 | 148.1 | -88.5 | 154.6 | 0 | 0 | 0 | 109.9 | ||||
| 237 | Q | 36.6 | Very low | 38.3 | Very low | 167 Ų | 167 | 167.9 Ų | 167.9 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | trans | -177 | 102.1 | 134.2 | -98 | 161.8 | 42.1 | 0 | 0 | 107.9 | ||||
| 238 | K | 38.4 | Very low | 38.2 | Very low | 189 Ų | 189 | 168.2 Ų | 168.2 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | 79.6 | 108.4 | 87.6 | -164.2 | 179.4 | -167.4 | 179.2 | 0 | 111.4 | |||||
| 239 | L | 36.3 | Very low | 38.4 | Very low | 154 Ų | 154 | 168.7 Ų | 168.7 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | -179.3 | 115.1 | 125 | -94.7 | 155.3 | 0 | 0 | 0 | 109.9 | |||||
| 240 | A | 38.2 | Very low | 38.6 | Very low | 87 Ų | 87 | 168.1 Ų | 168.1 | 72% | 0.719 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 133 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 241 | H | 37.2 | Very low | 39.1 | Very low | 186 Ų | 186 | 173.4 Ų | 173.4 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -147.5 | 129.3 | 147 | -87 | -46.2 | 0 | 0 | 0 | 110.8 | ||||
| 242 | R | 38 | Very low | 39.4 | Very low | 239 Ų | 239 | 173.9 Ų | 173.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -64.5 | 146.9 | 178.2 | -63.6 | 170.4 | 169.2 | 179.6 | -4.7 | 111.4 | ||||
| 243 | H | 37.4 | Very low | 39.6 | Very low | 169 Ų | 169 | 172.9 Ų | 172.9 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | -169.6 | 128.5 | 114.9 | -132.3 | -98.3 | 0 | 0 | 0 | 111.2 | |||||
| 244 | S | 43.8 | Very low | 39.6 | Very low | 107 Ų | 107 | 172.4 Ų | 172.4 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -79.9 | 125.7 | 165.5 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 245 | E | 39.7 | Very low | 39.4 | Very low | 155 Ų | 155 | 174.4 Ų | 174.4 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | trans | -134 | 111.5 | 168.6 | -156.8 | 146.4 | -156.1 | 0 | 0 | 111.2 | H247 | E245-H247 PolarHBondContact O-N 3.47Š| ||
| 246 | N | 41.3 | Very low | 39.3 | Very low | 157 Ų | 157 | 174 Ų | 174 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -66 | 114 | 174.6 | -79.7 | -50.3 | 0 | 0 | 0 | 109.9 | ||||
| 247 | H | 47.7 | Very low | 39.2 | Very low | 159 Ų | 159 | 173.8 Ų | 173.8 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -102.7 | 97.2 | 161.1 | -75.2 | -53.4 | 0 | 0 | 0 | 110.6 | E245 R249 | E245-H247 PolarHBondContact O-N 3.47Å; H247-R249 PolarHBondContact O-N 3.05Å | ||
| 248 | K | 42.9 | Very low | 39.3 | Very low | 193 Ų | 193 | 174.5 Ų | 174.5 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -58.7 | 110.4 | 158.1 | -73.2 | 176.3 | 176.6 | 178.1 | 0 | 108.1 | ||||
| 249 | R | 38.3 | Very low | 39.2 | Very low | 224 Ų | 224 | 173.3 Ų | 173.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -91.9 | 117.3 | 167.5 | -71.8 | -171.9 | 177 | -174.2 | 0.5 | 108.7 | H247 H251 | H247-R249 PolarHBondContact O-N 3.05Å; R249-H251 PolarHBondContact O-N 3.35Å | ||
| 250 | H | 38 | Very low | 39.3 | Very low | 173 Ų | 173 | 174.9 Ų | 174.9 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | trans | -68.1 | 120.9 | 170.9 | -77.3 | -89.3 | 0 | 0 | 0 | 109.6 | ||||
| 251 | H | 39.5 | Very low | 39.2 | Very low | 171 Ų | 171 | 179.3 Ų | 179.3 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -80.9 | 111.6 | 167 | -72.8 | -76.7 | 0 | 0 | 0 | 109.1 | R249 H253 | R249-H251 PolarHBondContact O-N 3.35Å; H251-H253 PolarHBondContact O-N 3.29Å | ||
| 252 | H | 40 | Very low | 39.1 | Very low | 173 Ų | 173 | 177.7 Ų | 177.7 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | trans | -81 | 107.9 | 166.1 | -93 | -59.4 | 0 | 0 | 0 | 109.2 | H254 | H252-H254 PolarHBondContact O-N 3.44Š| ||
| 253 | H | 38.8 | Very low | 39.2 | Very low | 174 Ų | 174 | 172.7 Ų | 172.7 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | -72.1 | 114 | 166.2 | -81.6 | -83 | 0 | 0 | 0 | 109.5 | H251 | H251-H253 PolarHBondContact O-N 3.29Š| ||
| 254 | H | 41.4 | Very low | 39.1 | Very low | 173 Ų | 173 | 171.9 Ų | 171.9 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | -85.8 | 108.3 | 164.5 | -86.5 | -72.8 | 0 | 0 | 0 | 109.4 | H252 Y256 | H252-H254 PolarHBondContact O-N 3.44Å; H254-Y256 PolarHBondContact O-N 3.28Å | ||
| 255 | Y | 35.1 | Very low | 38.9 | Very low | 218 Ų | 218 | 176.9 Ų | 176.9 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 120.9 | 164.5 | -110.6 | -99.3 | 0 | 0 | 0 | 108.9 | H257 | Y255-H257 PolarHBondContact O-N 3.27Š| ||
| 256 | Y | 36.6 | Very low | 38.9 | Very low | 218 Ų | 218 | 175.6 Ų | 175.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -70.3 | 116.6 | 167.9 | -95.4 | -94.4 | 0 | 0 | 0 | 109.4 | H254 | H254-Y256 PolarHBondContact O-N 3.28Š| ||
| 257 | H | 38.8 | Very low | 38.4 | Very low | 163 Ų | 163 | 172.8 Ų | 172.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -85.7 | 114.7 | 166 | -99.2 | -3.6 | 0 | 0 | 0 | 109.6 | Y255 | Y255-H257 PolarHBondContact O-N 3.27Š| ||
| 258 | H | 38.8 | Very low | 37.8 | Very low | 182 Ų | 182 | 176.8 Ų | 176.8 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -79.6 | 116.4 | 166.1 | -96.4 | -62.4 | 0 | 0 | 0 | 109.8 | ||||
| 259 | H | 35.6 | Very low | 37.2 | Very low | 165 Ų | 165 | 171.4 Ų | 171.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -88.4 | 111.4 | 166.4 | -80.7 | -66.6 | 0 | 0 | 0 | 109.9 | ||||
| 260 | H | 38 | Very low | 36.8 | Very low | 187 Ų | 187 | 166.4 Ų | 166.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 121.4 | 165.1 | -105.4 | -63.3 | 0 | 0 | 0 | 109.5 | H262 | H260-H262 PolarHBondContact O-N 3.15Š|
| 261 | H | 36.4 | Very low | 36.7 | Very low | 179 Ų | 179 | 163 Ų | 163 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 118.6 | 168.6 | -79.5 | -81.8 | 0 | 0 | 0 | 110.2 | ||
| 262 | H | 34.9 | Very low | 36.3 | Very low | 152 Ų | 152 | 162 Ų | 162 | 70% | 0.704 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 117.5 | 171.4 | -176.6 | 65.5 | 0 | 0 | 0 | 108.9 | H260 | H260-H262 PolarHBondContact O-N 3.15Š|
| 263 | T | 40 | Very low | 36.2 | Very low | 135 Ų | 135 | 162.3 Ų | 162.3 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -99.4 | 104.8 | 168.1 | 47.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 264 | Q | 36.4 | Very low | 36.2 | Very low | 151 Ų | 151 | 161.2 Ų | 161.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -75.2 | 121.9 | 174.9 | -124.4 | 168.9 | 35.6 | 0 | 0 | 109.5 | ||||
| 265 | K | 39 | Very low | 36 | Very low | 212 Ų | 212 | 160.6 Ų | 160.6 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | -108.2 | 114.2 | 154.5 | -75.5 | -166.3 | 178.1 | -176.1 | 0 | 108 | ||||
| 266 | V | 38.8 | Very low | 35.9 | Very low | 129 Ų | 129 | 157.1 Ų | 157.1 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -83.8 | 134.4 | 171.1 | -94.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 267 | S | 31.9 | Very low | 35.7 | Very low | 98 Ų | 98 | 152.4 Ų | 152.4 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 176.5 | 112.7 | 127.8 | 172.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 268 | R | 34.6 | Very low | 35.6 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 66.2 | 124.1 | 133.1 | -58.6 | 170.3 | 77.4 | 163.5 | 2.8 | 120.6 | ||||
| 269 | G | 30.2 | Very low | 35.3 | Very low | 79 Ų | 79 | 154.8 Ų | 154.8 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | trans | 165.2 | 82.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 270 | S | 30.8 | Very low | 35.3 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 32.5 | 119.1 | 141.5 | -150.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 271 | S | 34.4 | Very low | 35.1 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | 62.8 | 124.9 | 120.1 | -145.5 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 272 | H | 32.5 | Very low | 35.2 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | trans | 95.8 | 132.4 | 133.7 | -133.7 | -40.3 | 0 | 0 | 0 | 122.7 | ||||
| 273 | K | 38.3 | Very low | 36.3 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | 107 | 97.8 | 152.6 | -58.7 | -171.8 | -177.3 | -171.3 | 0 | 113.1 | ||||
| 274 | Q | 37.9 | Very low | 36 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 59.3 | 114.7 | 71.8 | -157.5 | 178.1 | 18.9 | 0 | 0 | 112.4 | |||||
| 275 | L | 37.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -177.1 | 117.4 | 133 | -91.9 | 166.5 | 0 | 0 | 0 | 111.4 | ||||
| 276 | H | 32.4 | Very low | 35.7 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 67% | 0.667 | 77% | 0.767 | S | S | * | * | trans | 2.8 | 137.7 | 149.8 | -55.5 | 77.8 | 0 | 0 | 0 | 121.2 | ||||
| 277 | S | 32.6 | Very low | 35.7 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | -169.9 | 129.1 | 102.5 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 278 | H | 35.9 | Very low | 35.9 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 150.9 | 167 | -80.6 | -115.6 | 0 | 0 | 0 | 112 | ||||
| 279 | R | 33.3 | Very low | 35.8 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | -179.2 | 123.1 | 100.8 | -161.5 | 168.4 | -167.9 | 171.8 | 3.1 | 111.1 | |||||
| 280 | S | 34.8 | Very low | 36.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -83.9 | 146 | 167.3 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 281 | M | 35.2 | Very low | 36.3 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | trans | -150 | 127.6 | 151.6 | -77.5 | -55.9 | -139.8 | 0 | 0 | 109.4 | ||||
| 282 | E | 36.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -132.2 | -178.6 | 165.1 | -146.8 | -150.2 | -171.5 | 0 | 0 | 106.7 | ||||
| 283 | P | 58.8 | Low | 37.1 | Very low | 79 Ų | 79 | 151.9 Ų | 151.9 | 51% | 0.513 | 79% | 0.785 | S | S | . | * | -105.7 | -163.5 | -92.6 | 34.8 | -17.5 | 0 | 0 | 0 | 113.3 | |||||
| 284 | H | 34.3 | Very low | 37 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | 146.9 | 108.2 | 149.9 | -62.8 | -34.7 | 0 | 0 | 0 | 110.5 | ||||
| 285 | R | 32.3 | Very low | 37 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | 87.3 | 118.1 | 80.6 | -148.5 | -161 | 173.9 | 141.6 | -1.5 | 115.4 | |||||
| 286 | T | 36.7 | Very low | 37.1 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 130.5 | 130.1 | 132.5 | 59.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 287 | K | 39.1 | Very low | 37.3 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | 92.9 | 116.5 | 140 | -83.9 | -171.5 | 169 | -176.2 | 0 | 124 | ||||
| 288 | D | 35.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 65.2 | 133.5 | 126.4 | -60.6 | -21.8 | 0 | 0 | 0 | 124.1 | |||||
| 289 | G | 33.2 | Very low | 37.9 | Very low | 72 Ų | 72 | 152.1 Ų | 152.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 120.3 | 89.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 290 | S | 37 | Very low | 38.7 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | 67 | 116.9 | 89.5 | -168.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 291 | G | 33.7 | Very low | 38.9 | Very low | 73 Ų | 73 | 150.5 Ų | 150.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 145.1 | 77.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 292 | Y | 39.3 | Very low | 39.2 | Very low | 218 Ų | 218 | 152.1 Ų | 152.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -86.5 | 135 | 164.4 | -75.2 | -89.4 | 0 | 0 | 0 | 110.3 | ||||
| 293 | L | 44.9 | Very low | 39.2 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -141.2 | 118.6 | 150.4 | -75 | -178.6 | 0 | 0 | 0 | 111.1 | ||||
| 294 | V | 35.6 | Very low | 38 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 70% | 0.697 | 80% | 0.802 | S | S | * | * | trans | -96.9 | 133.1 | 165.7 | 168.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 295 | A | 38.1 | Very low | 38.1 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -89.4 | 125.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 296 | H | 39.2 | Very low | 38 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -120.5 | 138.3 | 168.6 | -79.5 | -73.9 | 0 | 0 | 0 | 109.3 | ||||
| 297 | F | 36.2 | Very low | 38 | Very low | 213 Ų | 213 | 152.1 Ų | 152.1 | 93% | 0.934 | 82% | 0.818 | S | S | * | * | trans | -161.6 | 100.1 | 151.8 | -100.3 | -80.4 | 0 | 0 | 0 | 106.9 | ||||
| 298 | K | 41.1 | Very low | 38.6 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | 65.5 | 110.3 | 75.7 | -75.3 | -165.4 | 177.6 | -178 | 0 | 116.3 | |||||
| 299 | Q | 40.2 | Very low | 38.4 | Very low | 153 Ų | 153 | 146 Ų | 146 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 174.4 | 160.3 | -65.1 | -176.2 | -33.1 | 0 | 0 | 112.8 | H301 | Q299-H301 PolarHBondContact OE1-NE2 2.85Š| ||
| 300 | P | 51.1 | Low | 38.4 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | trans | -125.5 | 152.6 | 140 | 35.1 | -22 | 0 | 0 | 0 | 114.2 | ||||
| 301 | H | 39.2 | Very low | 38.8 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -116.2 | 150.1 | 174 | -80.6 | -86 | 0 | 0 | 0 | 111.4 | Q299 | Q299-H301 PolarHBondContact OE1-NE2 2.85Š| ||
| 302 | K | 41.4 | Very low | 39.4 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | 173.3 | 117.3 | 126.7 | -97.2 | 176.4 | 178.8 | -176.7 | 0 | 110 | |||||
| 303 | A | 35.4 | Very low | 39.9 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | 75.2 | 136.6 | 96 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 304 | S | 34.7 | Very low | 39.3 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | cis | -175 | 163.5 | -1.5 | 62.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 305 | R | 36.4 | Very low | 39.3 | Very low | 250 Ų | 250 | 148.3 Ų | 148.3 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | trans | 87.3 | 124.2 | 153.6 | -64.6 | 174.5 | 172.6 | -166.7 | -3.3 | 120.5 | ||||
| 306 | G | 30.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 153.3 Ų | 153.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | 136.2 | 98.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 307 | R | 36.5 | Very low | 40.2 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | trans | -78.1 | 172.3 | 154 | -135.6 | -163.7 | 172.5 | -141.8 | -0.4 | 108 | ||||
| 308 | P | 51.2 | Low | 40.3 | Very low | 88 Ų | 88 | 149.3 Ų | 149.3 | 57% | 0.571 | 77% | 0.766 | S | S | * | * | cis | -137.1 | -162.4 | -1.5 | 32.2 | -7 | 0 | 0 | 0 | 114.1 | ||||
| 309 | T | 31.4 | Very low | 40.5 | Very low | 112 Ų | 112 | 149.7 Ų | 149.7 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | 88.1 | 130.8 | 157.2 | -40.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 310 | E | 32.8 | Very low | 40.9 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | cis | -165.7 | 145 | 15.3 | -131.7 | 164.1 | 173.1 | 0 | 0 | 106.2 | ||||
| 311 | L | 45.5 | Very low | 40.7 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | -89.9 | 138.7 | 153.8 | -73.9 | 170.3 | 0 | 0 | 0 | 106.6 | ||||
| 312 | P | 46.4 | Very low | 40.8 | Very low | 109 Ų | 109 | 154.5 Ų | 154.5 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -150.1 | -167.1 | 115.9 | 43.5 | -25.4 | 0 | 0 | 0 | 111.9 | |||||
| 313 | P | 50.8 | Low | 40.6 | Very low | 105 Ų | 105 | 155.4 Ų | 155.4 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | -132.2 | -164.3 | -90.1 | 38.9 | -18.1 | 0 | 0 | 0 | 112.6 | |||||
| 314 | M | 31.7 | Very low | 40.8 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 79 | 141.1 | 160.4 | -80.3 | 156.8 | 62.9 | 0 | 0 | 116.4 | ||||
| 315 | E | 34.5 | Very low | 41.6 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | cis | -165.8 | 131.7 | 30.3 | -132.4 | 163.3 | -166.4 | 0 | 0 | 110.9 | ||||
| 316 | K | 45.7 | Very low | 41.8 | Very low | 208 Ų | 208 | 151.3 Ų | 151.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -115.9 | 134.4 | 139.8 | -77.3 | 179 | 179.4 | 176.5 | 0 | 103.6 | ||||
| 317 | P | 51.3 | Low | 42.4 | Very low | 78 Ų | 78 | 158.4 Ų | 158.4 | 51% | 0.506 | 77% | 0.774 | S | S | . | * | -139.9 | 175.2 | 72.4 | 21 | 5.1 | 0 | 0 | 0 | 110.9 | |||||
| 318 | Y | 38.2 | Very low | 42.7 | Very low | 207 Ų | 207 | 155 Ų | 155 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | -171 | 137.5 | 84 | -78 | -74.9 | 0 | 0 | 0 | 111.6 | |||||
| 319 | F | 45.7 | Very low | 42.4 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -42.2 | 130 | 150.5 | -84.3 | -111 | 0 | 0 | 0 | 111.9 | ||||
| 320 | L | 47.6 | Very low | 43 | Very low | 174 Ų | 174 | 160.2 Ų | 160.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -135 | 108.4 | 143.8 | -82.8 | 176 | 0 | 0 | 0 | 110 | ||||
| 321 | D | 47.5 | Very low | 43.8 | Very low | 129 Ų | 129 | 157 Ų | 157 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | trans | -44.2 | 126.2 | 156.3 | -177.4 | 12.2 | 0 | 0 | 0 | 111.2 | ||||
| 322 | R | 40.8 | Very low | 43.7 | Very low | 241 Ų | 241 | 157.7 Ų | 157.7 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -137.9 | 101.4 | 162.2 | -152.3 | 176.8 | -170.9 | -144.4 | 1.7 | 109.7 | ||||
| 323 | R | 38.3 | Very low | 44.1 | Very low | 217 Ų | 217 | 160.4 Ų | 160.4 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -56.2 | 144.1 | 164.8 | -72.2 | 176 | 171.5 | 162.1 | -2.7 | 111.8 | ||||
| 324 | S | 39 | Very low | 43.9 | Very low | 113 Ų | 113 | 164 Ų | 164 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -60.3 | 166.5 | 177.9 | -38.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 325 | P | 51.8 | Low | 45 | Very low | 116 Ų | 116 | 163.5 Ų | 163.5 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | -142.2 | 134 | 114.4 | 20.4 | 1.9 | 0 | 0 | 0 | 116.4 | |||||
| 326 | T | 39.6 | Very low | 46.1 | Very low | 123 Ų | 123 | 159.6 Ų | 159.6 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | 82.9 | 111.6 | 128.6 | -38.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 327 | R | 45.2 | Very low | 46.9 | Very low | 230 Ų | 230 | 160.1 Ų | 160.1 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | 25.6 | 120.2 | 139.8 | -78.5 | -175.3 | 154.2 | 160.1 | -5.3 | 120.4 | ||||
| 328 | L | 41.3 | Very low | 47.3 | Very low | 172 Ų | 172 | 166.5 Ų | 166.5 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | -141.9 | 99.5 | 124.5 | -67.8 | 177.8 | 0 | 0 | 0 | 105.2 | |||||
| 329 | D | 45.8 | Very low | 48 | Very low | 156 Ų | 156 | 160.1 Ų | 160.1 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | 31.4 | 88.4 | 103.7 | -148.8 | 44.7 | 0 | 0 | 0 | 113.8 | |||||
| 330 | D | 43.4 | Very low | 48.2 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -143.8 | 123.5 | 142.5 | -155.5 | 12 | 0 | 0 | 0 | 108.9 | Q332 | D330-Q332 PolarHBondContact O-N 2.92Š| ||
| 331 | S | 50 | Low | 48.6 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -83 | 109 | -172.1 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 332 | Q | 44.2 | Very low | 48.9 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -148.4 | 124.3 | 152.1 | -133.8 | 170.3 | 18.1 | 0 | 0 | 109.7 | D330 Q334 | D330-Q332 PolarHBondContact O-N 2.92Å; Q332-Q334 PolarHBondContact O-N 2.88Å | ||
| 333 | D | 52.8 | Low | 49.6 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -43.1 | 92.7 | -178 | -71.1 | -50.9 | 0 | 0 | 0 | 113.2 | ||||
| 334 | Q | 47.1 | Very low | 50.5 | Low | 179 Ų | 179 | 143.1 Ų | 143.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -90.8 | 108.9 | 154.4 | -73.3 | -173.2 | 58.4 | 0 | 0 | 106.2 | Q332 A336 | Q332-Q334 PolarHBondContact O-N 2.88Å; Q334-A336 PolarHBondContact O-N 3.39Å | ||
| 335 | T | 54.7 | Low | 51.6 | Low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | -59.7 | 69.5 | 163.1 | -47.1 | 0 | 0 | 0 | 0 | 108.8 | W337 | T335-W337 VanDerWaalsContact C-N 3.32Å; T335-W337 PolarHBondContact O-N 3.17Å | ||
| 336 | A | 57.7 | Low | 52.3 | Low | 65 Ų | 65 | 142.1 Ų | 142.1 | 54% | 0.537 | 74% | 0.738 | S | S | . | * | trans | -71.2 | 96.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | Q334 R338 | Q334-A336 PolarHBondContact O-N 3.39Å; A336-R338 PolarHBondContact O-N 3.41Å | ||
| 337 | W | 62.2 | Low | 54 | Low | 218 Ų | 218 | 139.3 Ų | 139.3 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -51.8 | 110 | 171.2 | -178.5 | 86.3 | 0 | 0 | 0 | 108.3 | T335 P339 | T335-W337 VanDerWaalsContact C-N 3.32Å; T335-W337 PolarHBondContact O-N 3.17Å; W337-P339 HydrophobicContact CE3-CG 4.35Å; W337-P339 HydrophobicContact CH2-CB 3.62Å; W337-P339 HydrophobicContact CH2-CG 3.94Å; W337-P339 HydrophobicContact CZ2-CB 4.08Å; W337-P339 HydrophobicContact CZ3-CB 3.92Å; W337-P339 HydrophobicContact CZ3-CG 3.71Å | ||
| 338 | R | 59.6 | Low | 55.6 | Low | 213 Ų | 213 | 131.8 Ų | 131.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -107 | 112.7 | 174.1 | -74.3 | 179.8 | 177.3 | -108.5 | -0.2 | 106.5 | A336 C340 | A336-R338 PolarHBondContact O-N 3.41Å; R338-C340 PolarHBondContact O-N 3.11Å; R338-C340 VanDerWaalsContact O-N 3.15Å | ||
| 339 | P | 53.3 | Low | 57.8 | Low | 73 Ų | 73 | 127.9 Ų | 127.9 | 47% | 0.474 | 68% | 0.681 | S | S | . | * | trans | -61.6 | 122.8 | 174.1 | 21.5 | -26.2 | 0 | 0 | 0 | 108.6 | W337 L341 | W337-P339 HydrophobicContact CE3-CG 4.35Å; W337-P339 HydrophobicContact CH2-CB 3.62Å; W337-P339 HydrophobicContact CH2-CG 3.94Å; W337-P339 HydrophobicContact CZ2-CB 4.08Å; W337-P339 HydrophobicContact CZ3-CB 3.92Å; W337-P339 HydrophobicContact CZ3-CG 3.71Å; P339-L341 PolarHBondContact O-N 3.33Å; P339-L341 VanDerWaalsContact O-N 3.13Å | ||
| 340 | C | 50 | Low | 60 | Low | 113 Ų | 113 | 123.6 Ų | 123.6 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | trans | -66.6 | 107.1 | 173.4 | 18.6 | 0 | 0 | 0 | 0 | 109 | R338 S342 | R338-C340 PolarHBondContact O-N 3.11Å; R338-C340 VanDerWaalsContact O-N 3.15Å; C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 VanDerWaalsContact O-N 3.11Å | ||
| 341 | L | 56.1 | Low | 62.5 | Low | 138 Ų | 138 | 121 Ų | 121 | 72% | 0.723 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -75.6 | 14.7 | 177.9 | -61.9 | 175.3 | 0 | 0 | 0 | 113.5 | P339 N343 V344 | P339-L341 PolarHBondContact O-N 3.33Å; P339-L341 VanDerWaalsContact O-N 3.13Å; L341-N343 PolarHBondContact O-N 2.95Å; L341-V344 HydrophobicContact CB-CG2 4.14Å; L341-V344 HydrophobicContact CD2-CG2 4.29Å; L341-V344 WeakPolarHBondContact O-CG2 3.41Å |
| 342 | S | 53.8 | Low | 64.5 | Low | 100 Ų | 100 | 119.8 Ų | 119.8 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -75.1 | -7.8 | -174.2 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | C340 | C340-S342 PolarHBondContact O-N 3.43Å; C340-S342 VanDerWaalsContact O-N 3.11Å |
| 343 | N | 55.6 | Low | 66.8 | Low | 135 Ų | 135 | 115.5 Ų | 115.5 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -139.9 | 73.7 | 168.5 | -67.6 | -63.1 | 0 | 0 | 0 | 108 | L341 E345 | L341-N343 PolarHBondContact O-N 2.95Å; N343-E345 HydrophobicContact CB-CG 4.41Å; N343-E345 PolarHBondContact O-N 3.13Å |
| 344 | V | 56.3 | Low | 68.7 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | trans | -71 | 68.8 | 166.2 | -164.2 | 0 | 0 | 0 | 0 | 107.6 | L341 K346 | L341-V344 HydrophobicContact CB-CG2 4.14Å; L341-V344 HydrophobicContact CD2-CG2 4.29Å; L341-V344 WeakPolarHBondContact O-CG2 3.41Å; V344-K346 PolarHBondContact O-N 2.87Å | ||
| 345 | E | 62.8 | Low | 70.3 | Confident | 52 Ų | 52 | 109.2 Ų | 109.2 | 24% | 0.243 | 60% | 0.602 | C | S | . | * | trans | -63.1 | 130.3 | 164 | -69.1 | -151.6 | 105.7 | 0 | 0 | 107.5 | N343 V347 S365 T366 | N343-E345 HydrophobicContact CB-CG 4.41Å; N343-E345 PolarHBondContact O-N 3.13Å; E345-V347 PolarHBondContact O-N 3.05Å; E345-S365 PolarHBondContact OE1-OG 2.79Å; E345-T366 WeakPolarHBondContact OE1-CB 3.35Å; E345-T366 PolarHBondContact OE1-N 3.11Å; E345-T366 PolarHBondContact OE1-OG1 2.88Å; E345-T366 WeakPolarHBondContact OE2-CB 3.45Å | ||
| 346 | K | 66.6 | Low | 71.8 | Confident | 156 Ų | 156 | 112.6 Ų | 112.6 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | trans | -68 | 84.5 | 178.9 | -171.1 | 178.1 | 176.8 | -178.6 | 0 | 107.7 | V344 L348 | V344-K346 PolarHBondContact O-N 2.87Å; K346-L348 HydrophobicContact CG-CD2 4.17Å; K346-L348 HydrophobicContact CG-CG 4.21Å; K346-L348 PolarHBondContact O-N 3.07Å | ||
| 347 | V | 75.7 | Confident | 73 | Confident | 65 Ų | 65 | 115.5 Ų | 115.5 | 39% | 0.394 | 61% | 0.611 | S | S | . | * | trans | -72.2 | 114.7 | 168.5 | 176 | 0 | 0 | 0 | 0 | 106.4 | E345 V349 K362 E363 | E345-V347 PolarHBondContact O-N 3.05Å; V347-V349 HydrophobicContact CG1-CG2 4.15Å; V347-K362 HydrophobicContact CG1-CD 4.04Å; V347-K362 HydrophobicContact CG1-CG 3.55Å; V347-E363 WeakPolarHBondContact CA-O 3.27Å | ||
| 348 | L | 78.9 | Confident | 74.5 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 38% | 0.377 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.6 | 171.4 | -63.3 | 167.6 | 0 | 0 | 0 | 107.7 | K346 K362 E363 | K346-L348 HydrophobicContact CG-CD2 4.17Å; K346-L348 HydrophobicContact CG-CG 4.21Å; K346-L348 PolarHBondContact O-N 3.07Å; L348-K362 WeakPolarHBondContact O-CA 3.23Å; L348-E363 HydrophobicContact CB-CG 3.52Å; L348-E363 WeakPolarHBondContact CB-OE1 3.26Å; L348-E363 HydrophobicContact CD1-CG 4.36Å; L348-E363 WeakPolarHBondContact CD1-OE1 3.42Å; L348-E363 HydrophobicContact CG-CG 4.41Å; L348-E363 PolarHBondContact N-O 3.48Å; L348-E363 PolarHBondContact O-N 2.95Å |
| 349 | V | 87 | Confident | 76.1 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.4 | 176 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | V347 T360 I361 K362 | V347-V349 HydrophobicContact CG1-CG2 4.15Å; V349-T360 HydrophobicContact CG1-CG2 3.52Å; V349-I361 WeakPolarHBondContact CA-O 3.15Å; V349-K362 HydrophobicContact CG2-CG 4.28Å |
| 350 | T | 92.6 | Very high | 77.9 | Confident | 66 Ų | 66 | 103.9 Ų | 103.9 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123 | 118.9 | -177.6 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | V352 I361 | T350-V352 HydrophobicContact CG2-CG2 4.23Å; T350-I361 PolarHBondContact N-O 3.24Å; T350-I361 PolarHBondContact O-N 3.09Å |
| 351 | D | 94.7 | Very high | 79.7 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.5 | 172 | -67.9 | -35.6 | 0 | 0 | 0 | 109.3 | T358 T360 | D351-T358 HydrophobicContact CB-CG2 3.9Å; D351-T360 WeakPolarHBondContact OD1-CA 3.32Å; D351-T360 VanDerWaalsContact OD1-CB 3.23Å; D351-T360 WeakPolarHBondContact OD1-CB 3.35Å; D351-T360 VanDerWaalsContact OD1-CG2 3.26Å; D351-T360 WeakPolarHBondContact OD1-CG2 3.18Å; D351-T360 PolarHBondContact OD1-OG1 3.2Å |
| 352 | V | 91.9 | Very high | 81.2 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 45% | 0.448 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.5 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 108 | T350 T358 V359 I361 | T350-V352 HydrophobicContact CG2-CG2 4.23Å; V352-T358 WeakPolarHBondContact O-CA 3.33Å; V352-V359 PolarHBondContact N-O 3.21Å; V352-V359 PolarHBondContact O-N 3.18Å; V352-I361 HydrophobicContact CG2-CD1 4.09Å |
| 353 | T | 93.4 | Very high | 82.6 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.6 | 178.2 | -51.5 | 0 | 0 | 0 | 0 | 110.6 | L357 T358 | T353-L357 CarbonylContact C-O 3.56Å; T353-L357 VanDerWaalsContact CA-O 3.27Å; T353-L357 WeakPolarHBondContact CA-O 3.46Å; T353-T358 WeakPolarHBondContact CG2-OG1 3.42Å; T353-T358 WeakPolarHBondContact OG1-CG2 3.19Å; T353-T358 PolarHBondContact OG1-OG1 3.38Å |
| 354 | A | 91.9 | Very high | 83.8 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.4 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | F356 L357 | A354-F356 VanDerWaalsContact C-N 3.27Å; A354-F356 PolarHBondContact O-N 2.74Å; A354-L357 PolarHBondContact N-O 3.45Å; A354-L357 PolarHBondContact O-N 2.74Å; A354-L357 VanDerWaalsContact O-O 3.09Å |
| 355 | N | 81.6 | Confident | 84.7 | Confident | 152 Ų | 152 | 96.1 Ų | 96.1 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 45 | 178.6 | -59 | -23.8 | 0 | 0 | 0 | 113.7 | L357 | N355-L357 PolarHBondContact O-N 2.92Å; N355-L357 VanDerWaalsContact O-N 3.11Å |
| 356 | F | 86.4 | Confident | 85.2 | Confident | 210 Ų | 210 | 96.4 Ų | 96.4 | 92% | 0.921 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 7.4 | -177.3 | -54.3 | -83.4 | 0 | 0 | 0 | 116.1 | A354 | A354-F356 VanDerWaalsContact C-N 3.27Å; A354-F356 PolarHBondContact O-N 2.74Å |
| 357 | L | 83 | Confident | 85.3 | Confident | 127 Ų | 127 | 93.1 Ų | 93.1 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.7 | 172 | -64.3 | 174.3 | 0 | 0 | 0 | 109.3 | T353 A354 N355 | T353-L357 CarbonylContact C-O 3.56Å; T353-L357 VanDerWaalsContact CA-O 3.27Å; T353-L357 WeakPolarHBondContact CA-O 3.46Å; A354-L357 PolarHBondContact N-O 3.45Å; A354-L357 PolarHBondContact O-N 2.74Å; A354-L357 VanDerWaalsContact O-O 3.09Å; N355-L357 PolarHBondContact O-N 2.92Å; N355-L357 VanDerWaalsContact O-N 3.11Å |
| 358 | T | 93.4 | Very high | 85 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.3 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | D351 V352 T353 | D351-T358 HydrophobicContact CB-CG2 3.9Å; V352-T358 WeakPolarHBondContact O-CA 3.33Å; T353-T358 WeakPolarHBondContact CG2-OG1 3.42Å; T353-T358 WeakPolarHBondContact OG1-CG2 3.19Å; T353-T358 PolarHBondContact OG1-OG1 3.38Å |
| 359 | V | 92.5 | Very high | 84.4 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.3 | 172.6 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | V352 I361 | V352-V359 PolarHBondContact N-O 3.21Å; V352-V359 PolarHBondContact O-N 3.18Å; V359-I361 HydrophobicContact CG1-CG1 4.28Å |
| 360 | T | 91.7 | Very high | 83.4 | Confident | 88 Ų | 88 | 99.9 Ų | 99.9 | 54% | 0.54 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.7 | 173.9 | -57.6 | 0 | 0 | 0 | 0 | 109.3 | V349 D351 | V349-T360 HydrophobicContact CG1-CG2 3.52Å; D351-T360 WeakPolarHBondContact OD1-CA 3.32Å; D351-T360 VanDerWaalsContact OD1-CB 3.23Å; D351-T360 WeakPolarHBondContact OD1-CB 3.35Å; D351-T360 VanDerWaalsContact OD1-CG2 3.26Å; D351-T360 WeakPolarHBondContact OD1-CG2 3.18Å; D351-T360 PolarHBondContact OD1-OG1 3.2Å |
| 361 | I | 88.4 | Confident | 82.2 | Confident | 86 Ų | 86 | 103.6 Ų | 103.6 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.1 | 176 | -55.8 | 174.5 | 0 | 0 | 0 | 107.9 | V349 T350 V352 V359 | V349-I361 WeakPolarHBondContact CA-O 3.15Å; T350-I361 PolarHBondContact N-O 3.24Å; T350-I361 PolarHBondContact O-N 3.09Å; V352-I361 HydrophobicContact CG2-CD1 4.09Å; V359-I361 HydrophobicContact CG1-CG1 4.28Å |
| 362 | K | 86.3 | Confident | 81.1 | Confident | 118 Ų | 118 | 108.5 Ų | 108.5 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 110.8 | 172.7 | -173.9 | -177.3 | -175.3 | -173 | 0 | 108.4 | V347 L348 V349 F370 | V347-K362 HydrophobicContact CG1-CD 4.04Å; V347-K362 HydrophobicContact CG1-CG 3.55Å; L348-K362 WeakPolarHBondContact O-CA 3.23Å; V349-K362 HydrophobicContact CG2-CG 4.28Å; K362-F370 VanDerWaalsContact O-CE2 3.32Å; K362-F370 WeakPolarHBondContact O-CE2 2.96Å |
| 363 | E | 84.1 | Confident | 80.1 | Confident | 100 Ų | 100 | 112.7 Ų | 112.7 | 47% | 0.467 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.1 | 176.2 | 64.8 | -175.5 | 165.9 | 0 | 0 | 110.3 | V347 L348 | V347-E363 WeakPolarHBondContact CA-O 3.27Å; L348-E363 HydrophobicContact CB-CG 3.52Å; L348-E363 WeakPolarHBondContact CB-OE1 3.26Å; L348-E363 HydrophobicContact CD1-CG 4.36Å; L348-E363 WeakPolarHBondContact CD1-OE1 3.42Å; L348-E363 HydrophobicContact CG-CG 4.41Å; L348-E363 PolarHBondContact N-O 3.48Å; L348-E363 PolarHBondContact O-N 2.95Å |
| 364 | S | 81.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 118.6 Ų | 118.6 | 29% | 0.294 | 63% | 0.631 | S | S | . | * | trans | -136.7 | 148.1 | 174.5 | 60 | 0 | 0 | 0 | 0 | 110.3 | T366 | S364-T366 VanDerWaalsContact C-N 3.31Å; S364-T366 PolarHBondContact O-N 3.2Å; S364-T366 PolarHBondContact OG-O 2.46Å | ||
| 365 | S | 73.7 | Confident | 76.9 | Confident | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -70.1 | -22.1 | 179.3 | 45.7 | 0 | 0 | 0 | 0 | 114.4 | E345 | E345-S365 PolarHBondContact OE1-OG 2.79Š|
| 366 | T | 73.6 | Confident | 76.7 | Confident | 58 Ų | 58 | 129.5 Ų | 129.5 | 36% | 0.356 | 66% | 0.655 | S | S | . | * | trans | -115.8 | 145.6 | 174.3 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | E345 S364 K368 | E345-T366 WeakPolarHBondContact OE1-CB 3.35Å; E345-T366 PolarHBondContact OE1-N 3.11Å; E345-T366 PolarHBondContact OE1-OG1 2.88Å; E345-T366 WeakPolarHBondContact OE2-CB 3.45Å; S364-T366 VanDerWaalsContact C-N 3.31Å; S364-T366 PolarHBondContact O-N 3.2Å; S364-T366 PolarHBondContact OG-O 2.46Å; T366-K368 HydrophobicContact CG2-CB 3.6Å | ||
| 367 | S | 70.3 | Confident | 76.2 | Confident | 87 Ų | 87 | 125.3 Ų | 125.3 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | trans | -80.6 | -16.6 | 178 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | G369 F370 | S367-G369 PolarHBondContact O-N 2.99Å; S367-F370 PolarHBondContact O-N 3.09Å | ||
| 368 | K | 67.8 | Low | 75.8 | Confident | 186 Ų | 186 | 125.2 Ų | 125.2 | 81% | 0.809 | 64% | 0.64 | S | S | * | * | B | Isolated β-bridge | trans | -63.5 | 112.6 | -178.7 | -167.5 | 177.5 | -177 | 177.6 | 0 | 110.7 | T366 | T366-K368 HydrophobicContact CG2-CB 3.6Å |
| 369 | G | 66.7 | Low | 74.7 | Confident | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | -4.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S367 | S367-G369 PolarHBondContact O-N 2.99Š|
| 370 | F | 66.2 | Low | 73.6 | Confident | 102 Ų | 102 | 130.1 Ų | 130.1 | 45% | 0.447 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -37.5 | 173.2 | -163.2 | -87.6 | 0 | 0 | 0 | 111.9 | K362 S367 | K362-F370 VanDerWaalsContact O-CE2 3.32Å; K362-F370 WeakPolarHBondContact O-CE2 2.96Å; S367-F370 PolarHBondContact O-N 3.09Å |
| 371 | F | 67.6 | Low | 72.4 | Confident | 145 Ų | 145 | 132.9 Ų | 132.9 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | B | Isolated β-bridge | trans | -112.4 | 129.7 | 176.6 | -56.3 | -76 | 0 | 0 | 0 | 109.6 | ||
| 372 | K | 71.7 | Confident | 71.3 | Confident | 203 Ų | 203 | 136.3 Ų | 136.3 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -77.1 | 128.7 | 166.5 | -65.3 | 179.8 | -179.6 | 178.9 | 0 | 106.9 | K374 | K372-K374 PolarHBondContact O-N 3.09Š| ||
| 373 | D | 70.4 | Confident | 70.1 | Confident | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 69% | 0.691 | S | S | * | * | trans | -54.6 | 126.1 | 172.8 | -72.1 | -37.3 | 0 | 0 | 0 | 108.8 | R375 | D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.09Å | ||
| 374 | K | 63.5 | Low | 69 | Low | 216 Ų | 216 | 140.8 Ų | 140.8 | 94% | 0.939 | 71% | 0.71 | S | S | * | * | trans | -66.6 | 110.8 | 174.7 | -69.6 | -174.4 | 177.9 | -177.5 | 0 | 106.9 | K372 | K372-K374 PolarHBondContact O-N 3.09Š| ||
| 375 | R | 55 | Low | 67.9 | Low | 313 Ų | 313 | 149.8 Ų | 149.8 | 100% | 1.181 | 75% | 0.748 | S | S | * | * | trans | -79.7 | 0 | 175.8 | -172.5 | -178.2 | -113.8 | -174.4 | -2.7 | 110.8 | D373 | D373-R375 PolarHBondContact O-N 3.19Å; D373-R375 VanDerWaalsContact O-N 3.09Å |
Retrieved 375 of 375 residues in 694.1 ms
(Link to these results)