| 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 | 49.1 | Very low | 47.2 | Very low | 235 Ų | 235 | 125.3 Ų | 125.3 | 100% | 1.158 | 83% | 0.828 | S | S | * | * | 0 | 96 | 0 | -53.4 | -173.6 | -177.6 | 0 | 0 | 104.5 | |||||
| 2 | A | 50.7 | Low | 47.8 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | 45.7 | 118.9 | 61.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 3 | E | 51.6 | Low | 48.2 | Very low | 198 Ų | 198 | 128.2 Ų | 128.2 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | cis | -158.2 | 168.7 | 41.5 | -45.2 | -162.4 | 99.3 | 0 | 0 | 107 | ||||
| 4 | G | 42.7 | Very low | 48.6 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | cis | 168.8 | 149.1 | 17.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 5 | G | 50.9 | Low | 49.5 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -92.6 | 163.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 6 | V | 57.7 | Low | 50 | Low | 154 Ų | 154 | 133.5 Ų | 133.5 | 93% | 0.933 | 82% | 0.817 | S | S | * | * | trans | -153.9 | 135.2 | 159.4 | -163.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 7 | G | 50.8 | Low | 50.1 | Low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | cis | 131.5 | 94.1 | 10.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 8 | K | 48.9 | Very low | 49.7 | Very low | 220 Ų | 220 | 127.2 Ų | 127.2 | 96% | 0.957 | 80% | 0.798 | S | S | * | * | trans | 60.1 | 146.1 | 145.4 | -58.7 | 177.6 | 87.7 | -179.9 | 0 | 122.9 | ||||
| 9 | G | 39.3 | Very low | 49.5 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 115.8 | 111.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 10 | G | 38.5 | Very low | 49.5 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | 100.3 | 107.2 | 67.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 11 | D | 38.6 | Very low | 49.3 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | 110.1 | 136.2 | 86.1 | 173.9 | -107.9 | 0 | 0 | 0 | 109.9 | |||||
| 12 | R | 54.5 | Low | 49.2 | Very low | 217 Ų | 217 | 120.5 Ų | 120.5 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | 57.1 | 111.1 | 163.5 | -66.4 | 165.3 | -144.3 | 161.8 | 21.3 | 116.5 | ||||
| 13 | G | 52.8 | Low | 49.6 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 77.9 | 103.1 | 64.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 14 | E | 54.7 | Low | 50.2 | Low | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -165.1 | 95.5 | 155 | -95.4 | -111.3 | 89.3 | 0 | 0 | 109.4 | P16 | E14-P16 WeakPolarHBondContact O-CD 3.28Š| ||
| 15 | E | 62.2 | Low | 51.9 | Low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -78.4 | 114.3 | 149.8 | -80.9 | -93.4 | 112.1 | 0 | 0 | 107.7 | G17 | E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 2.89Å; E15-G17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | P | 56.8 | Low | 53.6 | Low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -82.9 | 84.9 | 158.2 | 30.2 | -29.2 | 0 | 0 | 0 | 108.6 | E14 S18 | E14-P16 WeakPolarHBondContact O-CD 3.28Å; P16-S18 VanDerWaalsContact C-N 3.26Å; P16-S18 PolarHBondContact O-N 2.76Å | ||
| 17 | G | 51.8 | Low | 55.2 | Low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | -61.5 | 90.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | E15 L19 | E15-G17 VanDerWaalsContact C-N 3.28Å; E15-G17 PolarHBondContact O-N 2.89Å; E15-G17 VanDerWaalsContact O-N 3.12Å; G17-L19 PolarHBondContact O-N 3.24Å | ||
| 18 | S | 42.5 | Very low | 57.3 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | trans | -93.6 | 77.1 | 168.2 | -143.6 | 0 | 0 | 0 | 0 | 108.9 | P16 Q20 | P16-S18 VanDerWaalsContact C-N 3.26Å; P16-S18 PolarHBondContact O-N 2.76Å; S18-Q20 PolarHBondContact O-N 3.28Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å | ||
| 19 | L | 45.5 | Very low | 59.5 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | trans | -69.3 | 76.4 | 154.9 | -71.2 | 171.4 | 0 | 0 | 0 | 107.4 | G17 G21 | G17-L19 PolarHBondContact O-N 3.24Å; L19-G21 PolarHBondContact O-N 3.46Å | ||
| 20 | Q | 51.1 | Low | 62.2 | Low | 166 Ų | 166 | 113 Ų | 113 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | trans | -68.9 | 82.7 | 160.8 | -93 | 161.1 | 66.4 | 0 | 0 | 107.3 | S18 G22 | S18-Q20 PolarHBondContact O-N 3.28Å; S18-Q20 PolarHBondContact OG-NE2 2.81Å; Q20-G22 PolarHBondContact O-N 3.32Å | ||
| 21 | G | 44.6 | Very low | 64.9 | Low | 64 Ų | 64 | 109.8 Ų | 109.8 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | trans | -57.9 | 109.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | L19 Q23 | L19-G21 PolarHBondContact O-N 3.46Å; G21-Q23 PolarHBondContact O-N 3.09Å | ||
| 22 | G | 47.7 | Very low | 67.6 | Low | 71 Ų | 71 | 107.8 Ų | 107.8 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | -50.6 | 116.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q20 Q24 | Q20-G22 PolarHBondContact O-N 3.32Å; G22-Q24 PolarHBondContact O-N 2.73Å | ||
| 23 | Q | 57.8 | Low | 69.7 | Low | 191 Ų | 191 | 97.5 Ų | 97.5 | 89% | 0.893 | 57% | 0.571 | S | S | * | * | trans | -66.6 | 90.9 | 172.7 | -76.4 | 177.7 | -26.1 | 0 | 0 | 107.7 | G21 Q25 | G21-Q23 PolarHBondContact O-N 3.09Å; Q23-Q25 PolarHBondContact O-N 2.92Å | ||
| 24 | Q | 64.8 | Low | 71.7 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | trans | -62.9 | 122.2 | 174.2 | -166.3 | 144.4 | 33.9 | 0 | 0 | 107.9 | G22 S26 | G22-Q24 PolarHBondContact O-N 2.73Å; Q24-S26 PolarHBondContact O-N 3.37Å | ||
| 25 | Q | 77.6 | Confident | 73.7 | Confident | 178 Ų | 178 | 94.1 Ų | 94.1 | 83% | 0.832 | 53% | 0.531 | S | S | * | . | trans | -59.2 | 103.3 | -174 | -66.1 | 179.2 | -19.9 | 0 | 0 | 110.4 | Q23 | Q23-Q25 PolarHBondContact O-N 2.92Š| ||
| 26 | S | 87.2 | Confident | 75.3 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 128.2 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | Q24 | Q24-S26 PolarHBondContact O-N 3.37Š|
| 27 | M | 92.2 | Very high | 77.1 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 154 | 174.1 | -69.7 | -179.9 | -81.6 | 0 | 0 | 109.9 | T85 F86 | M27-T85 CarbonylContact O-C 3.45Å; M27-T85 WeakPolarHBondContact O-CA 3.03Å; M27-F86 HydrophobicContact CB-CD1 4.29Å; M27-F86 HydrophobicContact CB-CD2 4.42Å; M27-F86 HydrophobicContact CB-CE1 3.81Å; M27-F86 HydrophobicContact CB-CE2 3.97Å; M27-F86 HydrophobicContact CB-CZ 3.63Å; M27-F86 HydrophobicContact CE-CD2 4.14Å; M27-F86 HydrophobicContact CE-CE2 3.48Å; M27-F86 VanDerWaalsContact CE-CE2 3.48Å; M27-F86 HydrophobicContact CE-CZ 4.12Å; M27-F86 PolarHBondContact N-O 3.39Å; M27-F86 WeakPolarHBondContact O-CD1 3.29Å; M27-F86 PolarHBondContact O-N 3Å; M27-F86 HydrophobicContact SD-CE2 4.16Å; M27-F86 HydrophobicContact SD-CZ 4.19Å |
| 28 | H | 94.1 | Very high | 79.1 | Confident | 125 Ų | 125 | 83 Ų | 83 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.8 | 177.6 | -62.3 | 74.8 | 0 | 0 | 0 | 110.3 | G51 T85 | H28-G51 PolarHBondContact O-N 3.46Å; H28-T85 WeakPolarHBondContact CD2-CG2 3.39Å; H28-T85 WeakPolarHBondContact NE2-CG2 3.47Å |
| 29 | G | 94.6 | Very high | 81.4 | Confident | 10 Ų | 10 | 90 Ų | 90 | 10% | 0.103 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 161.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S49 F84 | G29-S49 CarbonylContact C-O 3.56Å; G29-S49 WeakPolarHBondContact CA-O 3.41Å; G29-F84 PolarHBondContact N-O 3.12Å; G29-F84 PolarHBondContact O-N 2.96Å; G29-F84 VanDerWaalsContact O-O 3.09Å |
| 30 | A | 95.6 | Very high | 83.8 | Confident | 31 Ų | 31 | 86 Ų | 86 | 26% | 0.256 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T48 S49 L82 E83 | A30-T48 PolarHBondContact O-N 2.89Å; A30-T48 PolarHBondContact O-OG1 3.42Å; A30-S49 PolarHBondContact N-O 2.99Å; A30-S49 PolarHBondContact O-N 3.43Å; A30-L82 WeakPolarHBondContact CA-O 3.44Å; A30-E83 HydrophobicContact CB-CG 4.42Å |
| 31 | G | 95.8 | Very high | 85.9 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -161.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S46 P81 L82 | G31-S46 WeakPolarHBondContact CA-O 3.31Å; G31-P81 WeakPolarHBondContact O-CA 3.13Å; G31-L82 PolarHBondContact N-O 3.38Å; G31-L82 PolarHBondContact O-N 3.12Å |
| 32 | H | 96.3 | Very high | 88.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.1 | 174.4 | 60.2 | -84 | 0 | 0 | 0 | 110.8 | K34 I45 S46 E80 | H32-K34 PolarHBondContact O-N 3.18Å; H32-I45 WeakPolarHBondContact O-CG2 3.43Å; H32-S46 PolarHBondContact N-O 3.29Å; H32-S46 PolarHBondContact O-N 3.07Å; H32-E80 CarbonylContact C-O 3.53Å; H32-E80 WeakPolarHBondContact CA-O 3.49Å; H32-E80 WeakPolarHBondContact CB-O 3.3Å |
| 33 | C | 96.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 119.4 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 110 | L76 R77 G79 E80 L82 | C33-L76 HydrophobicContact CB-CB 4.13Å; C33-L76 HydrophobicContact CB-CD1 4.26Å; C33-R77 WeakPolarHBondContact CB-O 3.18Å; C33-G79 PolarHBondContact O-N 2.96Å; C33-E80 PolarHBondContact N-O 3.42Å; C33-L82 HydrophobicContact CB-CD1 4.01Å |
| 34 | K | 96.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -47.2 | 177.3 | -170.1 | -177.2 | -174.1 | 164.6 | 0 | 110.5 | H32 F44 D60 | H32-K34 PolarHBondContact O-N 3.18Å; K34-F44 WeakPolarHBondContact CB-O 3.45Å; K34-F44 PolarHBondContact N-O 3.2Å; K34-D60 WeakPolarHBondContact CD-OD1 3.5Å; K34-D60 IonicContact NZ-OD1 3.54Å; K34-D60 PolarHBondContact NZ-OD1 3.26Å; K34-D60 IonicContact NZ-OD2 2.79Å; K34-D60 PolarHBondContact NZ-OD2 2.79Å |
| 35 | W | 95.7 | Very high | 94.1 | Very high | 95 Ų | 95 | 62.3 Ų | 62.3 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 153.5 | 172 | 56.3 | -96.3 | 0 | 0 | 0 | 109.8 | N37 F42 G43 F44 | W35-N37 HydrophobicContact CZ3-CB 4.42Å; W35-F42 HydrophobicContact CH2-CD2 4.15Å; W35-F42 AromaticContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CZ3-CD2 4.11Å; W35-F42 HydrophobicContact CZ3-CE2 4.11Å; W35-G43 CarbonylContact O-C 3.51Å; W35-G43 WeakPolarHBondContact O-CA 3.27Å; W35-F44 HydrophobicContact CD2-CD2 4.45Å; W35-F44 AromaticContact CE2-CD2 3.55Å; W35-F44 AromaticContact CH2-CD2 3.55Å; W35-F44 HydrophobicContact CH2-CD2 3.55Å; W35-F44 AromaticContact CH2-CE2 3.74Å; W35-F44 HydrophobicContact CH2-CE2 3.74Å; W35-F44 AromaticContact CZ2-CD2 3.08Å; W35-F44 HydrophobicContact CZ2-CD2 3.08Å; W35-F44 AromaticContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CE2 3.45Å; W35-F44 VanDerWaalsContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CG 4.18Å; W35-F44 HydrophobicContact CZ3-CD2 4.39Å; W35-F44 PolarHBondContact N-O 2.8Å; W35-F44 PolarHBondContact O-N 3.32Å |
| 36 | F | 96.6 | Very high | 95 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 123.4 | 176.2 | -170.2 | -91.8 | 0 | 0 | 0 | 110.9 | V38 V63 Q65 L68 L76 | F36-V38 HydrophobicContact CD1-CG2 4.04Å; F36-V38 HydrophobicContact CE1-CG2 4.49Å; F36-V38 PolarHBondContact O-N 3.4Å; F36-V63 HydrophobicContact CD2-CG1 4.4Å; F36-Q65 HydrophobicContact CZ-CB 4.11Å; F36-L68 HydrophobicContact CE2-CD1 4.01Å; F36-L68 HydrophobicContact CZ-CD1 4.01Å; F36-L76 HydrophobicContact CB-CB 4.01Å; F36-L76 HydrophobicContact CD2-CB 4.1Å; F36-L76 HydrophobicContact CD2-CD1 4.21Å; F36-L76 HydrophobicContact CD2-CG 4.23Å; F36-L76 HydrophobicContact CG-CB 4.04Å |
| 37 | N | 95.2 | Very high | 95.5 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100.4 | 174.5 | -168.2 | -49.5 | 0 | 0 | 0 | 109.9 | W35 R39 M40 G41 F42 | W35-N37 HydrophobicContact CZ3-CB 4.42Å; N37-R39 PolarHBondContact O-N 3.14Å; N37-R39 WeakPolarHBondContact OD1-CB 3.11Å; N37-R39 PolarHBondContact OD1-N 3.49Å; N37-M40 HydrophobicContact CB-CB 4.21Å; N37-M40 HydrophobicContact CB-CE 3.96Å; N37-M40 HydrophobicContact CB-CG 4.48Å; N37-M40 WeakPolarHBondContact ND2-CE 3.33Å; N37-M40 PolarHBondContact O-N 3.46Å; N37-M40 PolarHBondContact OD1-N 3.42Å; N37-G41 PolarHBondContact O-N 3.14Å; N37-F42 PolarHBondContact N-O 2.83Å |
| 38 | V | 93.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.8 | -179.5 | -179 | 0 | 0 | 0 | 0 | 113.5 | F36 F73 S109 | F36-V38 HydrophobicContact CD1-CG2 4.04Å; F36-V38 HydrophobicContact CE1-CG2 4.49Å; F36-V38 PolarHBondContact O-N 3.4Å; V38-F73 HydrophobicContact CG1-CE1 3.31Å; V38-F73 HydrophobicContact CG1-CZ 3.34Å; V38-S109 WeakPolarHBondContact CG2-OG 3.3Å |
| 39 | R | 91.4 | Very high | 95.6 | Very high | 233 Ų | 233 | 46.1 Ų | 46.1 | 88% | 0.879 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -39.1 | 179.4 | -170.9 | 177.4 | 81.7 | 174.1 | 4.7 | 111.6 | N37 | N37-R39 PolarHBondContact O-N 3.14Å; N37-R39 WeakPolarHBondContact OD1-CB 3.11Å; N37-R39 PolarHBondContact OD1-N 3.49Å |
| 40 | M | 94.8 | Very high | 95.6 | Very high | 92 Ų | 92 | 52 Ų | 52 | 45% | 0.453 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -15.7 | -178.2 | -57.2 | -162.2 | -66.1 | 0 | 0 | 113.3 | N37 F42 | N37-M40 HydrophobicContact CB-CB 4.21Å; N37-M40 HydrophobicContact CB-CE 3.96Å; N37-M40 HydrophobicContact CB-CG 4.48Å; N37-M40 WeakPolarHBondContact ND2-CE 3.33Å; N37-M40 PolarHBondContact O-N 3.46Å; N37-M40 PolarHBondContact OD1-N 3.42Å; M40-F42 HydrophobicContact CB-CD1 3.53Å; M40-F42 HydrophobicContact CB-CE1 3.36Å; M40-F42 HydrophobicContact CB-CG 4.5Å; M40-F42 HydrophobicContact CB-CZ 4.22Å; M40-F42 HydrophobicContact CE-CD1 4.39Å; M40-F42 HydrophobicContact CE-CE1 3.43Å; M40-F42 VanDerWaalsContact CE-CE1 3.43Å; M40-F42 HydrophobicContact CE-CE2 3.73Å; M40-F42 HydrophobicContact CE-CZ 3.03Å; M40-F42 HydrophobicContact CG-CE1 4.1Å; M40-F42 HydrophobicContact SD-CE1 3.65Å; M40-F42 HydrophobicContact SD-CZ 3.8Å |
| 41 | G | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 25.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | N37 H64 Q65 | N37-G41 PolarHBondContact O-N 3.14Å; G41-H64 PolarHBondContact O-CD2 3.39Å; G41-Q65 VanDerWaalsContact CA-OE1 3.22Å; G41-Q65 VanDerWaalsContact O-CB 3.29Å; G41-Q65 WeakPolarHBondContact O-CB 3.45Å; G41-Q65 WeakPolarHBondContact O-CG 3.19Å; G41-Q65 PolarHBondContact O-N 2.72Å |
| 42 | F | 96.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 26% | 0.263 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 161.8 | 177.2 | 69.7 | -101.9 | 0 | 0 | 0 | 112.3 | W35 N37 M40 F62 V63 | W35-F42 HydrophobicContact CH2-CD2 4.15Å; W35-F42 AromaticContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CH2-CE2 3.92Å; W35-F42 HydrophobicContact CZ3-CD2 4.11Å; W35-F42 HydrophobicContact CZ3-CE2 4.11Å; N37-F42 PolarHBondContact N-O 2.83Å; M40-F42 HydrophobicContact CB-CD1 3.53Å; M40-F42 HydrophobicContact CB-CE1 3.36Å; M40-F42 HydrophobicContact CB-CG 4.5Å; M40-F42 HydrophobicContact CB-CZ 4.22Å; M40-F42 HydrophobicContact CE-CD1 4.39Å; M40-F42 HydrophobicContact CE-CE1 3.43Å; M40-F42 VanDerWaalsContact CE-CE1 3.43Å; M40-F42 HydrophobicContact CE-CE2 3.73Å; M40-F42 HydrophobicContact CE-CZ 3.03Å; M40-F42 HydrophobicContact CG-CE1 4.1Å; M40-F42 HydrophobicContact SD-CE1 3.65Å; M40-F42 HydrophobicContact SD-CZ 3.8Å; F42-F62 HydrophobicContact CB-CE2 3.94Å; F42-F62 HydrophobicContact CB-CZ 4.02Å; F42-F62 HydrophobicContact CD2-CE2 4Å; F42-F62 HydrophobicContact CG-CE2 4.2Å; F42-V63 CarbonylContact C-O 3.53Å; F42-V63 VanDerWaalsContact CA-O 3.26Å; F42-V63 WeakPolarHBondContact CA-O 3.38Å; F42-V63 WeakPolarHBondContact CB-O 3.3Å |
| 43 | G | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | -166.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | W35 V63 | W35-G43 CarbonylContact O-C 3.51Å; W35-G43 WeakPolarHBondContact O-CA 3.27Å; G43-V63 VanDerWaalsContact C-CG1 3.43Å; G43-V63 PolarHBondContact N-O 3.1Å; G43-V63 WeakPolarHBondContact O-CG1 3.06Å; G43-V63 PolarHBondContact O-N 2.71Å |
| 44 | F | 97.4 | Very high | 94 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 25% | 0.254 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.5 | 172.4 | -75 | -99.7 | 0 | 0 | 0 | 110.9 | K34 W35 D60 V61 F62 | K34-F44 WeakPolarHBondContact CB-O 3.45Å; K34-F44 PolarHBondContact N-O 3.2Å; W35-F44 HydrophobicContact CD2-CD2 4.45Å; W35-F44 AromaticContact CE2-CD2 3.55Å; W35-F44 AromaticContact CH2-CD2 3.55Å; W35-F44 HydrophobicContact CH2-CD2 3.55Å; W35-F44 AromaticContact CH2-CE2 3.74Å; W35-F44 HydrophobicContact CH2-CE2 3.74Å; W35-F44 AromaticContact CZ2-CD2 3.08Å; W35-F44 HydrophobicContact CZ2-CD2 3.08Å; W35-F44 AromaticContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CE2 3.45Å; W35-F44 VanDerWaalsContact CZ2-CE2 3.45Å; W35-F44 HydrophobicContact CZ2-CG 4.18Å; W35-F44 HydrophobicContact CZ3-CD2 4.39Å; W35-F44 PolarHBondContact N-O 2.8Å; W35-F44 PolarHBondContact O-N 3.32Å; F44-D60 HydrophobicContact CD1-CB 4Å; F44-V61 CarbonylContact C-O 3.55Å; F44-V61 VanDerWaalsContact CA-O 3.3Å; F44-V61 WeakPolarHBondContact CA-O 3.5Å; F44-F62 HydrophobicContact CD1-CB 4.47Å; F44-F62 HydrophobicContact CE1-CB 4.08Å; F44-F62 HydrophobicContact CE1-CD2 4.39Å; F44-F62 HydrophobicContact CE2-CD2 4.15Å; F44-F62 HydrophobicContact CZ-CB 4.49Å; F44-F62 AromaticContact CZ-CD2 4Å; F44-F62 HydrophobicContact CZ-CD2 4Å |
| 45 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 132.5 | 173.8 | -59.8 | 171.4 | 0 | 0 | 0 | 107.2 | H32 M47 V61 V63 L76 L82 F84 V98 | H32-I45 WeakPolarHBondContact O-CG2 3.43Å; I45-M47 PolarHBondContact O-N 2.87Å; I45-V61 HydrophobicContact CB-CB 4.46Å; I45-V61 PolarHBondContact N-O 3.16Å; I45-V61 PolarHBondContact O-N 3.43Å; I45-V63 HydrophobicContact CD1-CB 3.97Å; I45-V63 HydrophobicContact CD1-CG1 4.13Å; I45-V63 HydrophobicContact CD1-CG2 4.24Å; I45-V63 HydrophobicContact CG1-CB 4.22Å; I45-V63 HydrophobicContact CG1-CG1 3.87Å; I45-L76 HydrophobicContact CD1-CD1 4.39Å; I45-L76 HydrophobicContact CG1-CD1 4.39Å; I45-L82 HydrophobicContact CD1-CD1 4.26Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; I45-F84 HydrophobicContact CB-CE1 4.46Å; I45-F84 HydrophobicContact CD1-CD1 4.18Å; I45-F84 HydrophobicContact CD1-CG 4.42Å; I45-F84 HydrophobicContact CG2-CD1 3.99Å; I45-F84 HydrophobicContact CG2-CE1 3.45Å; I45-F84 VanDerWaalsContact CG2-CE1 3.45Å; I45-F84 HydrophobicContact CG2-CZ 3.99Å; I45-V98 HydrophobicContact CD1-CG1 3.91Å; I45-V98 HydrophobicContact CD1-CG2 3.89Å |
| 46 | S | 97 | Very high | 93.5 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 106.6 | 170.5 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | G31 H32 T48 P58 | G31-S46 WeakPolarHBondContact CA-O 3.31Å; H32-S46 PolarHBondContact N-O 3.29Å; H32-S46 PolarHBondContact O-N 3.07Å; S46-T48 PolarHBondContact O-N 2.98Å; S46-P58 WeakPolarHBondContact OG-CB 3.15Å |
| 47 | M | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 120.1 | 178.6 | -175.2 | 166.8 | 57.7 | 0 | 0 | 109.7 | I45 S49 R50 P58 M59 V61 F84 F86 L93 | I45-M47 PolarHBondContact O-N 2.87Å; M47-S49 WeakPolarHBondContact CG-O 3.3Å; M47-R50 HydrophobicContact SD-CB 4.29Å; M47-P58 WeakPolarHBondContact O-CA 2.93Å; M47-P58 VanDerWaalsContact O-CB 3.27Å; M47-P58 WeakPolarHBondContact O-CB 3.25Å; M47-M59 HydrophobicContact CB-CB 4.45Å; M47-M59 WeakPolarHBondContact CB-O 3.33Å; M47-M59 HydrophobicContact CE-CB 3.81Å; M47-M59 HydrophobicContact CE-CG 4.21Å; M47-M59 HydrophobicContact CE-SD 3.81Å; M47-M59 PolarHBondContact N-O 3.46Å; M47-M59 PolarHBondContact O-N 3.38Å; M47-V61 HydrophobicContact CB-CG2 4.04Å; M47-V61 HydrophobicContact CE-CG2 4.39Å; M47-V61 HydrophobicContact SD-CG2 4.43Å; M47-F84 HydrophobicContact CB-CZ 3.82Å; M47-F84 HydrophobicContact CG-CE2 4.4Å; M47-F84 HydrophobicContact CG-CZ 3.78Å; M47-F84 HydrophobicContact SD-CE2 4.04Å; M47-F84 HydrophobicContact SD-CZ 4.02Å; M47-F86 HydrophobicContact CE-CE1 4.23Å; M47-F86 HydrophobicContact CE-CE2 4.31Å; M47-F86 HydrophobicContact CE-CZ 3.83Å; M47-F86 HydrophobicContact SD-CD1 4.11Å; M47-F86 HydrophobicContact SD-CE1 3.41Å; M47-F86 WeakPolarHBondContact SD-CE1 3.16Å; M47-F86 HydrophobicContact SD-CE2 4.49Å; M47-F86 HydrophobicContact SD-CZ 3.63Å; M47-L93 HydrophobicContact CE-CD1 4Å |
| 48 | T | 95.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 67 Ų | 67 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -20.8 | 179.1 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | A30 S46 P54 V55 | A30-T48 PolarHBondContact O-N 2.89Å; A30-T48 PolarHBondContact O-OG1 3.42Å; S46-T48 PolarHBondContact O-N 2.98Å; T48-P54 WeakPolarHBondContact O-CA 3.33Å; T48-V55 PolarHBondContact O-N 3.34Å |
| 49 | S | 93.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 68.8 Ų | 68.8 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | G29 A30 M47 G52 T53 | G29-S49 CarbonylContact C-O 3.56Å; G29-S49 WeakPolarHBondContact CA-O 3.41Å; A30-S49 PolarHBondContact N-O 2.99Å; A30-S49 PolarHBondContact O-N 3.43Å; M47-S49 WeakPolarHBondContact CG-O 3.3Å; S49-G52 WeakPolarHBondContact OG-CA 3.4Å; S49-T53 CarbonylContact C-O 3.58Å; S49-T53 VanDerWaalsContact CA-O 3.29Å; S49-T53 WeakPolarHBondContact CA-O 3.5Å; S49-T53 PolarHBondContact OG-O 3Å |
| 50 | R | 93.3 | Very high | 93.3 | Very high | 132 Ų | 132 | 61.2 Ų | 61.2 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117.2 | 175.5 | -175.7 | -179 | 74.2 | -179.1 | 3.9 | 108.7 | M47 G52 T53 V55 F86 | M47-R50 HydrophobicContact SD-CB 4.29Å; R50-G52 PolarHBondContact O-N 3.4Å; R50-G52 VanDerWaalsContact O-N 3.16Å; R50-T53 PolarHBondContact N-O 2.85Å; R50-T53 PolarHBondContact O-N 3.41Å; R50-V55 HydrophobicContact CB-CG2 3.68Å; R50-F86 HydrophobicContact CG-CE1 4.41Å; R50-F86 HydrophobicContact CG-CZ 4.03Å |
| 51 | G | 86.7 | Confident | 93.4 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | H28 T53 | H28-G51 PolarHBondContact O-N 3.46Å; G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 2.94Å |
| 52 | G | 83.8 | Confident | 93.5 | Very high | 67 Ų | 67 | 58.6 Ų | 58.6 | 69% | 0.691 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S49 R50 | S49-G52 WeakPolarHBondContact OG-CA 3.4Å; R50-G52 PolarHBondContact O-N 3.4Å; R50-G52 VanDerWaalsContact O-N 3.16Å |
| 53 | T | 90.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.8 | 175.2 | -50.8 | 0 | 0 | 0 | 0 | 110.1 | S49 R50 G51 | S49-T53 CarbonylContact C-O 3.58Å; S49-T53 VanDerWaalsContact CA-O 3.29Å; S49-T53 WeakPolarHBondContact CA-O 3.5Å; S49-T53 PolarHBondContact OG-O 3Å; R50-T53 PolarHBondContact N-O 2.85Å; R50-T53 PolarHBondContact O-N 3.41Å; G51-T53 VanDerWaalsContact C-N 3.32Å; G51-T53 PolarHBondContact O-N 2.94Å |
| 54 | P | 91.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 141.6 | 175.1 | 26.4 | -33.1 | 0 | 0 | 0 | 110.8 | T48 | T48-P54 WeakPolarHBondContact O-CA 3.33Å |
| 55 | V | 91.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 22% | 0.218 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.7 | -179.3 | -174.1 | 0 | 0 | 0 | 0 | 109 | T48 R50 M59 | T48-V55 PolarHBondContact O-N 3.34Å; R50-V55 HydrophobicContact CB-CG2 3.68Å; V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 HydrophobicContact CG1-SD 4.33Å |
| 56 | D | 89.8 | Confident | 93.4 | Very high | 155 Ų | 155 | 63 Ų | 63 | 83% | 0.829 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 120.2 | 173.8 | -174.1 | 26.6 | 0 | 0 | 0 | 108.9 | ||
| 57 | P | 90.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -73.3 | 153.3 | 1.1 | 31 | -35.7 | 0 | 0 | 0 | 113.5 | M59 | P57-M59 PolarHBondContact O-N 2.85Å |
| 58 | P | 91.9 | Very high | 93.3 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 42% | 0.416 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 138.6 | 176.8 | 26.8 | -34.2 | 0 | 0 | 0 | 110.9 | S46 M47 | S46-P58 WeakPolarHBondContact OG-CB 3.15Å; M47-P58 WeakPolarHBondContact O-CA 2.93Å; M47-P58 VanDerWaalsContact O-CB 3.27Å; M47-P58 WeakPolarHBondContact O-CB 3.25Å |
| 59 | M | 94.1 | Very high | 93.2 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 39% | 0.389 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 141.6 | -176.6 | -59.2 | -178.3 | 78.9 | 0 | 0 | 111 | M47 V55 P57 L93 | M47-M59 HydrophobicContact CB-CB 4.45Å; M47-M59 WeakPolarHBondContact CB-O 3.33Å; M47-M59 HydrophobicContact CE-CB 3.81Å; M47-M59 HydrophobicContact CE-CG 4.21Å; M47-M59 HydrophobicContact CE-SD 3.81Å; M47-M59 PolarHBondContact N-O 3.46Å; M47-M59 PolarHBondContact O-N 3.38Å; V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 HydrophobicContact CG1-SD 4.33Å; P57-M59 PolarHBondContact O-N 2.85Å; M59-L93 HydrophobicContact CB-CD1 4.19Å; M59-L93 HydrophobicContact CE-CD1 3.73Å; M59-L93 HydrophobicContact SD-CD1 4.19Å |
| 60 | D | 95.6 | Very high | 93.2 | Very high | 73 Ų | 73 | 67.8 Ų | 67.8 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 125.4 | 176.3 | -74.2 | -22.4 | 0 | 0 | 0 | 110.6 | K34 F44 | K34-D60 WeakPolarHBondContact CD-OD1 3.5Å; K34-D60 IonicContact NZ-OD1 3.54Å; K34-D60 PolarHBondContact NZ-OD1 3.26Å; K34-D60 IonicContact NZ-OD2 2.79Å; K34-D60 PolarHBondContact NZ-OD2 2.79Å; F44-D60 HydrophobicContact CD1-CB 4Å |
| 61 | V | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.9 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | F44 I45 M47 F84 F86 L93 | F44-V61 CarbonylContact C-O 3.55Å; F44-V61 VanDerWaalsContact CA-O 3.3Å; F44-V61 WeakPolarHBondContact CA-O 3.5Å; I45-V61 HydrophobicContact CB-CB 4.46Å; I45-V61 PolarHBondContact N-O 3.16Å; I45-V61 PolarHBondContact O-N 3.43Å; M47-V61 HydrophobicContact CB-CG2 4.04Å; M47-V61 HydrophobicContact CE-CG2 4.39Å; M47-V61 HydrophobicContact SD-CG2 4.43Å; V61-F84 HydrophobicContact CB-CE2 4.24Å; V61-F84 HydrophobicContact CG1-CD2 4.38Å; V61-F84 HydrophobicContact CG1-CE2 4.11Å; V61-F84 HydrophobicContact CG2-CE2 3.88Å; V61-F84 HydrophobicContact CG2-CZ 4.21Å; V61-F86 HydrophobicContact CG1-CB 3.92Å; V61-L93 HydrophobicContact CB-CB 4.43Å; V61-L93 HydrophobicContact CG1-CB 4.32Å; V61-L93 HydrophobicContact CG2-CB 4.03Å; V61-L93 HydrophobicContact CG2-CD1 4.08Å |
| 62 | F | 97.3 | Very high | 93.1 | Very high | 37 Ų | 37 | 70.6 Ų | 70.6 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134 | 177.1 | 176.5 | -105.2 | 0 | 0 | 0 | 110.6 | F42 F44 H64 L93 E94 S95 | F42-F62 HydrophobicContact CB-CE2 3.94Å; F42-F62 HydrophobicContact CB-CZ 4.02Å; F42-F62 HydrophobicContact CD2-CE2 4Å; F42-F62 HydrophobicContact CG-CE2 4.2Å; F44-F62 HydrophobicContact CD1-CB 4.47Å; F44-F62 HydrophobicContact CE1-CB 4.08Å; F44-F62 HydrophobicContact CE1-CD2 4.39Å; F44-F62 HydrophobicContact CE2-CD2 4.15Å; F44-F62 HydrophobicContact CZ-CB 4.49Å; F44-F62 AromaticContact CZ-CD2 4Å; F44-F62 HydrophobicContact CZ-CD2 4Å; F62-H64 HydrophobicContact CE1-CB 4.28Å; F62-L93 WeakPolarHBondContact CB-O 3.47Å; F62-L93 PolarHBondContact N-O 2.68Å; F62-E94 HydrophobicContact CD1-CG 4.08Å; F62-S95 WeakPolarHBondContact O-CB 3.37Å; F62-S95 PolarHBondContact O-N 2.99Å; F62-S95 PolarHBondContact O-OG 2.82Å |
| 63 | V | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136 | 177 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | F36 F42 G43 I45 L68 L76 S95 V98 | F36-V63 HydrophobicContact CD2-CG1 4.4Å; F42-V63 CarbonylContact C-O 3.53Å; F42-V63 VanDerWaalsContact CA-O 3.26Å; F42-V63 WeakPolarHBondContact CA-O 3.38Å; F42-V63 WeakPolarHBondContact CB-O 3.3Å; G43-V63 VanDerWaalsContact C-CG1 3.43Å; G43-V63 PolarHBondContact N-O 3.1Å; G43-V63 WeakPolarHBondContact O-CG1 3.06Å; G43-V63 PolarHBondContact O-N 2.71Å; I45-V63 HydrophobicContact CD1-CB 3.97Å; I45-V63 HydrophobicContact CD1-CG1 4.13Å; I45-V63 HydrophobicContact CD1-CG2 4.24Å; I45-V63 HydrophobicContact CG1-CB 4.22Å; I45-V63 HydrophobicContact CG1-CG1 3.87Å; V63-L68 HydrophobicContact CG2-CD2 3.63Å; V63-L76 HydrophobicContact CG1-CD1 4.13Å; V63-L76 HydrophobicContact CG2-CD1 4.3Å; V63-S95 WeakPolarHBondContact CA-OG 3.2Å; V63-V98 HydrophobicContact CG2-CG2 3.74Å |
| 64 | H | 97.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 31% | 0.306 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 147.4 | 173.1 | -173.5 | -101.8 | 0 | 0 | 0 | 110.8 | G41 F62 S66 K67 | G41-H64 PolarHBondContact O-CD2 3.39Å; F62-H64 HydrophobicContact CE1-CB 4.28Å; H64-S66 WeakPolarHBondContact ND1-CB 3.44Å; H64-S66 PolarHBondContact ND1-N 2.69Å; H64-S66 PolarHBondContact ND1-OG 2.85Å; H64-S66 PolarHBondContact O-N 3.39Å; H64-S66 VanDerWaalsContact O-N 3.07Å; H64-K67 HydrophobicContact CB-CG 4.4Å; H64-K67 WeakPolarHBondContact O-CB 3.44Å; H64-K67 PolarHBondContact O-N 2.94Å |
| 65 | Q | 95.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.1 | -176.6 | 65.5 | 170.8 | 39.3 | 0 | 0 | 113.3 | F36 G41 K67 L68 R74 | F36-Q65 HydrophobicContact CZ-CB 4.11Å; G41-Q65 VanDerWaalsContact CA-OE1 3.22Å; G41-Q65 VanDerWaalsContact O-CB 3.29Å; G41-Q65 WeakPolarHBondContact O-CB 3.45Å; G41-Q65 WeakPolarHBondContact O-CG 3.19Å; G41-Q65 PolarHBondContact O-N 2.72Å; Q65-K67 PolarHBondContact O-N 2.83Å; Q65-L68 PolarHBondContact O-N 2.99Å; Q65-R74 HydrophobicContact CB-CB 4.22Å; Q65-R74 WeakPolarHBondContact O-CD 3.4Å |
| 66 | S | 95.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 64.8 Ų | 64.8 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -69 | -16.3 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | H64 | H64-S66 WeakPolarHBondContact ND1-CB 3.44Å; H64-S66 PolarHBondContact ND1-N 2.69Å; H64-S66 PolarHBondContact ND1-OG 2.85Å; H64-S66 PolarHBondContact O-N 3.39Å; H64-S66 VanDerWaalsContact O-N 3.07Å |
| 67 | K | 95.8 | Very high | 94 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 34% | 0.335 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -95.8 | -6.7 | -179 | -49.2 | -53.6 | -160.2 | 164.4 | 0 | 112.8 | H64 Q65 V96 V98 | H64-K67 HydrophobicContact CB-CG 4.4Å; H64-K67 WeakPolarHBondContact O-CB 3.44Å; H64-K67 PolarHBondContact O-N 2.94Å; Q65-K67 PolarHBondContact O-N 2.83Å; K67-V96 WeakPolarHBondContact CD-O 3.19Å; K67-V98 PolarHBondContact O-N 3.3Å |
| 68 | L | 96.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 124.6 | -179.7 | -59.2 | -177.7 | 0 | 0 | 0 | 110.8 | F36 V63 Q65 M70 R74 L76 V98 | F36-L68 HydrophobicContact CE2-CD1 4.01Å; F36-L68 HydrophobicContact CZ-CD1 4.01Å; V63-L68 HydrophobicContact CG2-CD2 3.63Å; Q65-L68 PolarHBondContact O-N 2.99Å; L68-M70 HydrophobicContact CB-CG 4.36Å; L68-M70 HydrophobicContact CB-SD 4.22Å; L68-M70 HydrophobicContact CD1-SD 4.29Å; L68-M70 PolarHBondContact O-N 2.83Å; L68-R74 HydrophobicContact CB-CB 4.28Å; L68-R74 HydrophobicContact CD1-CB 4.15Å; L68-R74 PolarHBondContact O-NH1 2.87Å; L68-L76 HydrophobicContact CD1-CD2 4.27Å; L68-L76 HydrophobicContact CD1-CG 3.9Å; L68-L76 HydrophobicContact CD2-CD1 3.73Å; L68-L76 HydrophobicContact CD2-CD2 3.73Å; L68-L76 HydrophobicContact CD2-CG 3.66Å; L68-L76 HydrophobicContact CG-CG 4.46Å; L68-V98 HydrophobicContact CD2-CB 3.8Å; L68-V98 HydrophobicContact CD2-CG1 3.97Å; L68-V98 HydrophobicContact CD2-CG2 4.22Å |
| 69 | H | 93.9 | Very high | 94.4 | Very high | 95 Ų | 95 | 64.4 Ų | 64.4 | 44% | 0.44 | 33% | 0.332 | S | S | . | . | trans | -80.3 | 94.4 | 173 | -168.4 | 76.2 | 0 | 0 | 0 | 109.7 | V98 T99 P105 C106 | H69-V98 WeakPolarHBondContact CB-O 3.43Å; H69-V98 PolarHBondContact N-O 3.43Å; H69-T99 HydrophobicContact CB-CG2 3.69Å; H69-P105 VanDerWaalsContact O-CA 3.27Å; H69-P105 WeakPolarHBondContact O-CA 3.46Å; H69-C106 PolarHBondContact O-N 3.02Å | ||
| 70 | M | 92.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | trans | -164.3 | 164.4 | 173.8 | 62.6 | -164.2 | -52.9 | 0 | 0 | 110.6 | L68 R74 S75 C106 | L68-M70 HydrophobicContact CB-CG 4.36Å; L68-M70 HydrophobicContact CB-SD 4.22Å; L68-M70 HydrophobicContact CD1-SD 4.29Å; L68-M70 PolarHBondContact O-N 2.83Å; M70-R74 HydrophobicContact CG-CB 4.06Å; M70-R74 HydrophobicContact CG-CG 3.78Å; M70-R74 PolarHBondContact O-NH1 3.13Å; M70-R74 PolarHBondContact O-NH2 2.89Å; M70-R74 WeakPolarHBondContact SD-CA 3.49Å; M70-R74 HydrophobicContact SD-CB 4.04Å; M70-R74 HydrophobicContact SD-CG 4.42Å; M70-S75 PolarHBondContact SD-N 2.87Å; M70-C106 HydrophobicContact CB-CB 4.46Å; M70-C106 HydrophobicContact CE-CB 4.39Å; M70-C106 HydrophobicContact SD-CB 3.99Å | ||
| 71 | E | 88.9 | Confident | 94.4 | Very high | 186 Ų | 186 | 60.4 Ų | 60.4 | 87% | 0.869 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -95.3 | 153.4 | 175.1 | -63.7 | -174.2 | 169.1 | 0 | 0 | 111.5 | ||
| 72 | G | 89.8 | Confident | 94.4 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 70.3 | -130.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R74 | G72-R74 PolarHBondContact O-N 3.08Š|
| 73 | F | 89.7 | Confident | 94.3 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -80.1 | 107.5 | -174 | -176.9 | -102.2 | 0 | 0 | 0 | 111.3 | V38 S75 | V38-F73 HydrophobicContact CG1-CE1 3.31Å; V38-F73 HydrophobicContact CG1-CZ 3.34Å; F73-S75 PolarHBondContact O-N 3.1Å |
| 74 | R | 93.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | trans | -79.3 | 116 | -171.6 | -56.8 | -178.4 | -168.2 | -88.4 | -13 | 112.1 | Q65 L68 M70 G72 | Q65-R74 HydrophobicContact CB-CB 4.22Å; Q65-R74 WeakPolarHBondContact O-CD 3.4Å; L68-R74 HydrophobicContact CB-CB 4.28Å; L68-R74 HydrophobicContact CD1-CB 4.15Å; L68-R74 PolarHBondContact O-NH1 2.87Å; M70-R74 HydrophobicContact CG-CB 4.06Å; M70-R74 HydrophobicContact CG-CG 3.78Å; M70-R74 PolarHBondContact O-NH1 3.13Å; M70-R74 PolarHBondContact O-NH2 2.89Å; M70-R74 WeakPolarHBondContact SD-CA 3.49Å; M70-R74 HydrophobicContact SD-CB 4.04Å; M70-R74 HydrophobicContact SD-CG 4.42Å; G72-R74 PolarHBondContact O-N 3.08Å | ||
| 75 | S | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | trans | -151.9 | 167.1 | 175.7 | 58.9 | 0 | 0 | 0 | 0 | 111 | M70 F73 G108 S109 | M70-S75 PolarHBondContact SD-N 2.87Å; F73-S75 PolarHBondContact O-N 3.1Å; S75-G108 WeakPolarHBondContact O-CA 3.45Å; S75-S109 PolarHBondContact OG-N 2.87Å; S75-S109 PolarHBondContact OG-OG 2.99Å | ||
| 76 | L | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | trans | -119.3 | 148.8 | 172.3 | -68.2 | 177.5 | 0 | 0 | 0 | 110.4 | C33 F36 I45 V63 L68 L82 C106 | C33-L76 HydrophobicContact CB-CB 4.13Å; C33-L76 HydrophobicContact CB-CD1 4.26Å; F36-L76 HydrophobicContact CB-CB 4.01Å; F36-L76 HydrophobicContact CD2-CB 4.1Å; F36-L76 HydrophobicContact CD2-CD1 4.21Å; F36-L76 HydrophobicContact CD2-CG 4.23Å; F36-L76 HydrophobicContact CG-CB 4.04Å; I45-L76 HydrophobicContact CD1-CD1 4.39Å; I45-L76 HydrophobicContact CG1-CD1 4.39Å; V63-L76 HydrophobicContact CG1-CD1 4.13Å; V63-L76 HydrophobicContact CG2-CD1 4.3Å; L68-L76 HydrophobicContact CD1-CD2 4.27Å; L68-L76 HydrophobicContact CD1-CG 3.9Å; L68-L76 HydrophobicContact CD2-CD1 3.73Å; L68-L76 HydrophobicContact CD2-CD2 3.73Å; L68-L76 HydrophobicContact CD2-CG 3.66Å; L68-L76 HydrophobicContact CG-CG 4.46Å; L76-L82 HydrophobicContact CD1-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD2 3.94Å; L76-L82 HydrophobicContact CD2-CG 4.48Å; L76-L82 HydrophobicContact CG-CD1 4.23Å; L76-C106 HydrophobicContact CD2-CB 3.81Å | ||
| 77 | R | 94 | Very high | 94.1 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | trans | -89.3 | 137.5 | 169.6 | 170.1 | 178.8 | 178.4 | 155.3 | 5.9 | 109.9 | C33 G79 E80 G108 E110 | C33-R77 WeakPolarHBondContact CB-O 3.18Å; R77-G79 PolarHBondContact O-N 3.12Å; R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.22Å; R77-E80 WeakPolarHBondContact O-CB 3.47Å; R77-E80 PolarHBondContact O-N 2.82Å; R77-G108 WeakPolarHBondContact CB-O 3.38Å; R77-E110 IonicContact CZ-OE1 3.93Å; R77-E110 IonicContact NH1-OE1 2.73Å; R77-E110 PolarHBondContact NH1-OE1 3.19Å; R77-E110 IonicContact NH2-OE1 2.82Å | ||
| 78 | E | 94.7 | Very high | 94 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 131.6 | 173.2 | -174.9 | 174.1 | 174.2 | 0 | 0 | 111.1 | E80 | E78-E80 VanDerWaalsContact C-N 3.26Å; E78-E80 PolarHBondContact O-N 3.41Å |
| 79 | G | 94.6 | Very high | 93.8 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 1.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C33 R77 | C33-G79 PolarHBondContact O-N 2.96Å; R77-G79 PolarHBondContact O-N 3.12Å |
| 80 | E | 94.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | trans | -65.4 | 127.6 | 176.6 | -179.6 | 177.9 | 167.4 | 0 | 0 | 111 | H32 C33 R77 E78 L82 C106 L107 G108 | H32-E80 CarbonylContact C-O 3.53Å; H32-E80 WeakPolarHBondContact CA-O 3.49Å; H32-E80 WeakPolarHBondContact CB-O 3.3Å; C33-E80 PolarHBondContact N-O 3.42Å; R77-E80 HydrophobicContact CB-CB 4.09Å; R77-E80 PolarHBondContact N-OE2 3.22Å; R77-E80 WeakPolarHBondContact O-CB 3.47Å; R77-E80 PolarHBondContact O-N 2.82Å; E78-E80 VanDerWaalsContact C-N 3.26Å; E78-E80 PolarHBondContact O-N 3.41Å; E80-L82 HydrophobicContact CG-CD2 3.9Å; E80-L82 HydrophobicContact CG-CG 4.17Å; E80-L82 WeakPolarHBondContact OE1-CD2 3.27Å; E80-C106 WeakPolarHBondContact OE1-CA 3.49Å; E80-L107 HydrophobicContact CG-CB 4.48Å; E80-L107 HydrophobicContact CG-CD1 4.01Å; E80-L107 HydrophobicContact CG-CG 4.37Å; E80-L107 WeakPolarHBondContact OE1-CB 3.22Å; E80-L107 PolarHBondContact OE1-N 2.99Å; E80-G108 PolarHBondContact OE2-N 3.43Å | ||
| 81 | P | 95.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 70 Ų | 70 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.8 | 175.8 | 32 | -34.7 | 0 | 0 | 0 | 110.7 | G31 L101 | G31-P81 WeakPolarHBondContact O-CA 3.13Å; P81-L101 HydrophobicContact CB-CD1 3.88Å; P81-L101 HydrophobicContact CB-CD2 4.01Å; P81-L101 HydrophobicContact CB-CG 3.97Å; P81-L101 HydrophobicContact CG-CD1 3.65Å; P81-L101 HydrophobicContact CG-CG 4.03Å |
| 82 | L | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.2 | -169.9 | -62 | 165.4 | 0 | 0 | 0 | 110.9 | A30 G31 C33 I45 L76 E80 V98 T99 | A30-L82 WeakPolarHBondContact CA-O 3.44Å; G31-L82 PolarHBondContact N-O 3.38Å; G31-L82 PolarHBondContact O-N 3.12Å; C33-L82 HydrophobicContact CB-CD1 4.01Å; I45-L82 HydrophobicContact CD1-CD1 4.26Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; L76-L82 HydrophobicContact CD1-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD1 3.68Å; L76-L82 HydrophobicContact CD2-CD2 3.94Å; L76-L82 HydrophobicContact CD2-CG 4.48Å; L76-L82 HydrophobicContact CG-CD1 4.23Å; E80-L82 HydrophobicContact CG-CD2 3.9Å; E80-L82 HydrophobicContact CG-CG 4.17Å; E80-L82 WeakPolarHBondContact OE1-CD2 3.27Å; L82-V98 HydrophobicContact CB-CG1 4.24Å; L82-V98 HydrophobicContact CD1-CG1 4.03Å; L82-V98 HydrophobicContact CD2-CG1 4.28Å; L82-V98 HydrophobicContact CG-CG1 4.41Å; L82-T99 WeakPolarHBondContact CA-O 3.46Å; L82-T99 WeakPolarHBondContact CD2-O 3.4Å |
| 83 | E | 96.1 | Very high | 94 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141 | 167.4 | -71.9 | 173.4 | -155.2 | 0 | 0 | 108.6 | A30 T99 G102 | A30-E83 HydrophobicContact CB-CG 4.42Å; E83-T99 PolarHBondContact N-O 3.02Å; E83-T99 PolarHBondContact O-N 3.43Å; E83-T99 PolarHBondContact O-OG1 3.45Å; E83-G102 PolarHBondContact OE1-N 2.95Å |
| 84 | F | 96.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 153.9 | -176.6 | 55.6 | -87.9 | 0 | 0 | 0 | 112.4 | G29 I45 M47 V61 F86 Q97 V98 | G29-F84 PolarHBondContact N-O 3.12Å; G29-F84 PolarHBondContact O-N 2.96Å; G29-F84 VanDerWaalsContact O-O 3.09Å; I45-F84 HydrophobicContact CB-CE1 4.46Å; I45-F84 HydrophobicContact CD1-CD1 4.18Å; I45-F84 HydrophobicContact CD1-CG 4.42Å; I45-F84 HydrophobicContact CG2-CD1 3.99Å; I45-F84 HydrophobicContact CG2-CE1 3.45Å; I45-F84 VanDerWaalsContact CG2-CE1 3.45Å; I45-F84 HydrophobicContact CG2-CZ 3.99Å; M47-F84 HydrophobicContact CB-CZ 3.82Å; M47-F84 HydrophobicContact CG-CE2 4.4Å; M47-F84 HydrophobicContact CG-CZ 3.78Å; M47-F84 HydrophobicContact SD-CE2 4.04Å; M47-F84 HydrophobicContact SD-CZ 4.02Å; V61-F84 HydrophobicContact CB-CE2 4.24Å; V61-F84 HydrophobicContact CG1-CD2 4.38Å; V61-F84 HydrophobicContact CG1-CE2 4.11Å; V61-F84 HydrophobicContact CG2-CE2 3.88Å; V61-F84 HydrophobicContact CG2-CZ 4.21Å; F84-F86 HydrophobicContact CD2-CB 4.17Å; F84-F86 AromaticContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CG 4.44Å; F84-F86 HydrophobicContact CE2-CB 4.35Å; F84-F86 AromaticContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CE1 4.29Å; F84-F86 HydrophobicContact CE2-CG 4.25Å; F84-Q97 CarbonylContact C-O 3.53Å; F84-Q97 WeakPolarHBondContact CA-O 3.43Å; F84-Q97 VanDerWaalsContact CB-O 3.26Å; F84-Q97 WeakPolarHBondContact CB-O 3.22Å; F84-V98 HydrophobicContact CB-CB 4.29Å; F84-V98 HydrophobicContact CB-CG1 4.36Å; F84-V98 HydrophobicContact CB-CG2 3.91Å |
| 85 | T | 95.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140.7 | 162.4 | 28.6 | 0 | 0 | 0 | 0 | 109.4 | M27 H28 S95 V96 Q97 | M27-T85 CarbonylContact O-C 3.45Å; M27-T85 WeakPolarHBondContact O-CA 3.03Å; H28-T85 WeakPolarHBondContact CD2-CG2 3.39Å; H28-T85 WeakPolarHBondContact NE2-CG2 3.47Å; T85-S95 CarbonylContact O-C 3.51Å; T85-S95 WeakPolarHBondContact O-CA 3.38Å; T85-V96 PolarHBondContact O-N 3.41Å; T85-Q97 PolarHBondContact N-O 3.06Å; T85-Q97 PolarHBondContact O-N 2.72Å; T85-Q97 WeakPolarHBondContact OG1-CB 3.46Å |
| 86 | F | 95.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.7 | 179.3 | 67.7 | -84.4 | 0 | 0 | 0 | 111.2 | M27 M47 R50 V61 F84 L93 E94 | M27-F86 HydrophobicContact CB-CD1 4.29Å; M27-F86 HydrophobicContact CB-CD2 4.42Å; M27-F86 HydrophobicContact CB-CE1 3.81Å; M27-F86 HydrophobicContact CB-CE2 3.97Å; M27-F86 HydrophobicContact CB-CZ 3.63Å; M27-F86 HydrophobicContact CE-CD2 4.14Å; M27-F86 HydrophobicContact CE-CE2 3.48Å; M27-F86 VanDerWaalsContact CE-CE2 3.48Å; M27-F86 HydrophobicContact CE-CZ 4.12Å; M27-F86 PolarHBondContact N-O 3.39Å; M27-F86 WeakPolarHBondContact O-CD1 3.29Å; M27-F86 PolarHBondContact O-N 3Å; M27-F86 HydrophobicContact SD-CE2 4.16Å; M27-F86 HydrophobicContact SD-CZ 4.19Å; M47-F86 HydrophobicContact CE-CE1 4.23Å; M47-F86 HydrophobicContact CE-CE2 4.31Å; M47-F86 HydrophobicContact CE-CZ 3.83Å; M47-F86 HydrophobicContact SD-CD1 4.11Å; M47-F86 HydrophobicContact SD-CE1 3.41Å; M47-F86 WeakPolarHBondContact SD-CE1 3.16Å; M47-F86 HydrophobicContact SD-CE2 4.49Å; M47-F86 HydrophobicContact SD-CZ 3.63Å; R50-F86 HydrophobicContact CG-CE1 4.41Å; R50-F86 HydrophobicContact CG-CZ 4.03Å; V61-F86 HydrophobicContact CG1-CB 3.92Å; F84-F86 HydrophobicContact CD2-CB 4.17Å; F84-F86 AromaticContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CD1 3.87Å; F84-F86 HydrophobicContact CD2-CG 4.44Å; F84-F86 HydrophobicContact CE2-CB 4.35Å; F84-F86 AromaticContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CD1 3.62Å; F84-F86 HydrophobicContact CE2-CE1 4.29Å; F84-F86 HydrophobicContact CE2-CG 4.25Å; F86-L93 HydrophobicContact CD2-CB 4.3Å; F86-L93 HydrophobicContact CD2-CD1 4.32Å; F86-L93 HydrophobicContact CD2-CD2 3.9Å; F86-L93 HydrophobicContact CD2-CG 4.41Å; F86-L93 HydrophobicContact CE2-CD1 4.11Å; F86-L93 HydrophobicContact CE2-CD2 3.9Å; F86-E94 CarbonylContact C-O 3.46Å; F86-E94 WeakPolarHBondContact CA-O 3.39Å; F86-E94 WeakPolarHBondContact CB-O 3.42Å |
| 87 | Q | 94.6 | Very high | 94.5 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 157.1 | 177 | 61.6 | 177.7 | 85.1 | 0 | 0 | 110 | E94 V96 | Q87-E94 PolarHBondContact N-O 3.16Å; Q87-E94 PolarHBondContact O-N 3.32Å; Q87-V96 HydrophobicContact CB-CG2 4.05Å; Q87-V96 HydrophobicContact CG-CG2 3.76Å; Q87-V96 VanDerWaalsContact OE1-CG2 3.25Å |
| 88 | M | 92.9 | Very high | 94.6 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 62% | 0.616 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 124.4 | 170.5 | -169.8 | 65.8 | 177.3 | 0 | 0 | 109.1 | L93 | M88-L93 HydrophobicContact SD-CD2 3.76Å |
| 89 | S | 91.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 12% | 0.119 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 166.7 | 173.6 | 84.6 | 0 | 0 | 0 | 0 | 110.4 | R91 G92 | S89-R91 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact OG-N 2.94Å; S89-G92 PolarHBondContact N-O 3.44Å; S89-G92 PolarHBondContact O-N 2.98Å; S89-G92 PolarHBondContact OG-O 3.48Å; S89-G92 VanDerWaalsContact OG-O 3.08Å |
| 90 | P | 91.6 | Very high | 94.7 | Very high | 145 Ų | 145 | 47.4 Ų | 47.4 | 94% | 0.942 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.6 | 176 | -24 | 34.2 | 0 | 0 | 0 | 113.8 | ||
| 91 | R | 90.1 | Very high | 94.6 | Very high | 216 Ų | 216 | 52.2 Ų | 52.2 | 82% | 0.815 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -0.2 | -179.7 | -60.8 | -179.5 | 65.9 | -167.3 | -0.5 | 113.2 | S89 | S89-R91 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact OG-N 2.94Å |
| 92 | G | 92.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 115.7 | -155.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S89 | S89-G92 PolarHBondContact N-O 3.44Å; S89-G92 PolarHBondContact O-N 2.98Å; S89-G92 PolarHBondContact OG-O 3.48Å; S89-G92 VanDerWaalsContact OG-O 3.08Å |
| 93 | L | 95.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.3 | 178.2 | -59.2 | -178.9 | 0 | 0 | 0 | 110.3 | M47 M59 V61 F62 F86 M88 | M47-L93 HydrophobicContact CE-CD1 4Å; M59-L93 HydrophobicContact CB-CD1 4.19Å; M59-L93 HydrophobicContact CE-CD1 3.73Å; M59-L93 HydrophobicContact SD-CD1 4.19Å; V61-L93 HydrophobicContact CB-CB 4.43Å; V61-L93 HydrophobicContact CG1-CB 4.32Å; V61-L93 HydrophobicContact CG2-CB 4.03Å; V61-L93 HydrophobicContact CG2-CD1 4.08Å; F62-L93 WeakPolarHBondContact CB-O 3.47Å; F62-L93 PolarHBondContact N-O 2.68Å; F86-L93 HydrophobicContact CD2-CB 4.3Å; F86-L93 HydrophobicContact CD2-CD1 4.32Å; F86-L93 HydrophobicContact CD2-CD2 3.9Å; F86-L93 HydrophobicContact CD2-CG 4.41Å; F86-L93 HydrophobicContact CE2-CD1 4.11Å; F86-L93 HydrophobicContact CE2-CD2 3.9Å; M88-L93 HydrophobicContact SD-CD2 3.76Å |
| 94 | E | 96 | Very high | 93.9 | Very high | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.3 | 179.4 | 172.3 | 170.9 | -169.7 | 0 | 0 | 111 | F62 F86 Q87 | F62-E94 HydrophobicContact CD1-CG 4.08Å; F86-E94 CarbonylContact C-O 3.46Å; F86-E94 WeakPolarHBondContact CA-O 3.39Å; F86-E94 WeakPolarHBondContact CB-O 3.42Å; Q87-E94 PolarHBondContact N-O 3.16Å; Q87-E94 PolarHBondContact O-N 3.32Å |
| 95 | S | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.5 | 176.1 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | F62 V63 T85 | F62-S95 WeakPolarHBondContact O-CB 3.37Å; F62-S95 PolarHBondContact O-N 2.99Å; F62-S95 PolarHBondContact O-OG 2.82Å; V63-S95 WeakPolarHBondContact CA-OG 3.2Å; T85-S95 CarbonylContact O-C 3.51Å; T85-S95 WeakPolarHBondContact O-CA 3.38Å |
| 96 | V | 96 | Very high | 93.7 | Very high | 47 Ų | 47 | 55.6 Ų | 55.6 | 29% | 0.285 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -43.6 | 170.5 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | K67 T85 Q87 | K67-V96 WeakPolarHBondContact CD-O 3.19Å; T85-V96 PolarHBondContact O-N 3.41Å; Q87-V96 HydrophobicContact CB-CG2 4.05Å; Q87-V96 HydrophobicContact CG-CG2 3.76Å; Q87-V96 VanDerWaalsContact OE1-CG2 3.25Å |
| 97 | Q | 95.1 | Very high | 93.5 | Very high | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 139.1 | 177.8 | -177.5 | 174.9 | -69.5 | 0 | 0 | 109.2 | F84 T85 T99 | F84-Q97 CarbonylContact C-O 3.53Å; F84-Q97 WeakPolarHBondContact CA-O 3.43Å; F84-Q97 VanDerWaalsContact CB-O 3.26Å; F84-Q97 WeakPolarHBondContact CB-O 3.22Å; T85-Q97 PolarHBondContact N-O 3.06Å; T85-Q97 PolarHBondContact O-N 2.72Å; T85-Q97 WeakPolarHBondContact OG1-CB 3.46Å; Q97-T99 HydrophobicContact CG-CG2 4.47Å |
| 98 | V | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.2 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | I45 V63 K67 L68 H69 L82 F84 | I45-V98 HydrophobicContact CD1-CG1 3.91Å; I45-V98 HydrophobicContact CD1-CG2 3.89Å; V63-V98 HydrophobicContact CG2-CG2 3.74Å; K67-V98 PolarHBondContact O-N 3.3Å; L68-V98 HydrophobicContact CD2-CB 3.8Å; L68-V98 HydrophobicContact CD2-CG1 3.97Å; L68-V98 HydrophobicContact CD2-CG2 4.22Å; H69-V98 WeakPolarHBondContact CB-O 3.43Å; H69-V98 PolarHBondContact N-O 3.43Å; L82-V98 HydrophobicContact CB-CG1 4.24Å; L82-V98 HydrophobicContact CD1-CG1 4.03Å; L82-V98 HydrophobicContact CD2-CG1 4.28Å; L82-V98 HydrophobicContact CG-CG1 4.41Å; F84-V98 HydrophobicContact CB-CB 4.29Å; F84-V98 HydrophobicContact CB-CG1 4.36Å; F84-V98 HydrophobicContact CB-CG2 3.91Å |
| 99 | T | 96.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.098 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 162.5 | 178.2 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | H69 L82 E83 Q97 | H69-T99 HydrophobicContact CB-CG2 3.69Å; L82-T99 WeakPolarHBondContact CA-O 3.46Å; L82-T99 WeakPolarHBondContact CD2-O 3.4Å; E83-T99 PolarHBondContact N-O 3.02Å; E83-T99 PolarHBondContact O-N 3.43Å; E83-T99 PolarHBondContact O-OG1 3.45Å; Q97-T99 HydrophobicContact CG-CG2 4.47Å |
| 100 | G | 95 | Very high | 92.1 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 175.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G102 G103 G104 | G100-G102 PolarHBondContact O-N 3.03Å; G100-G103 PolarHBondContact O-N 3.38Å; G100-G103 VanDerWaalsContact O-N 3.16Å; G100-G104 PolarHBondContact N-O 2.72Å |
| 101 | L | 91.4 | Very high | 90.9 | Very high | 107 Ų | 107 | 65 Ų | 65 | 56% | 0.56 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -52.7 | 135.7 | 171.7 | -67.1 | 179.1 | 0 | 0 | 0 | 111.1 | P81 G103 G104 | P81-L101 HydrophobicContact CB-CD1 3.88Å; P81-L101 HydrophobicContact CB-CD2 4.01Å; P81-L101 HydrophobicContact CB-CG 3.97Å; P81-L101 HydrophobicContact CG-CD1 3.65Å; P81-L101 HydrophobicContact CG-CG 4.03Å; L101-G103 PolarHBondContact O-N 3.19Å; L101-G104 PolarHBondContact O-N 3.3Å |
| 102 | G | 89.7 | Confident | 89.5 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 74% | 0.742 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 65.7 | 22.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E83 G100 G104 | E83-G102 PolarHBondContact OE1-N 2.95Å; G100-G102 PolarHBondContact O-N 3.03Å; G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 2.83Å |
| 103 | G | 91.3 | Very high | 87.8 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 38% | 0.381 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | 79.1 | 9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | G100 L101 | G100-G103 PolarHBondContact O-N 3.38Å; G100-G103 VanDerWaalsContact O-N 3.16Å; L101-G103 PolarHBondContact O-N 3.19Å |
| 104 | G | 93 | Very high | 85.9 | Confident | 24 Ų | 24 | 77.3 Ų | 77.3 | 25% | 0.247 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G100 L101 G102 | G100-G104 PolarHBondContact N-O 2.72Å; L101-G104 PolarHBondContact O-N 3.3Å; G102-G104 VanDerWaalsContact C-N 3.32Å; G102-G104 PolarHBondContact O-N 2.83Å |
| 105 | P | 93.8 | Very high | 84.1 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 149.4 | 172 | 29.9 | -34.4 | 0 | 0 | 0 | 111.2 | H69 | H69-P105 VanDerWaalsContact O-CA 3.27Å; H69-P105 WeakPolarHBondContact O-CA 3.46Å |
| 106 | C | 93.8 | Very high | 82.3 | Confident | 8 Ų | 8 | 88.3 Ų | 88.3 | 5% | 0.054 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 143.4 | 173.2 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | H69 M70 L76 E80 | H69-C106 PolarHBondContact O-N 3.02Å; M70-C106 HydrophobicContact CB-CB 4.46Å; M70-C106 HydrophobicContact CE-CB 4.39Å; M70-C106 HydrophobicContact SD-CB 3.99Å; L76-C106 HydrophobicContact CD2-CB 3.81Å; E80-C106 WeakPolarHBondContact OE1-CA 3.49Å |
| 107 | L | 90.4 | Very high | 80.6 | Confident | 128 Ų | 128 | 90 Ų | 90 | 67% | 0.67 | 47% | 0.471 | S | S | * | . | trans | -64.2 | -44.6 | 177.4 | -63.6 | 173.4 | 0 | 0 | 0 | 111.3 | E80 | E80-L107 HydrophobicContact CG-CB 4.48Å; E80-L107 HydrophobicContact CG-CD1 4.01Å; E80-L107 HydrophobicContact CG-CG 4.37Å; E80-L107 WeakPolarHBondContact OE1-CB 3.22Å; E80-L107 PolarHBondContact OE1-N 2.99Å | ||
| 108 | G | 88.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 90.8 Ų | 90.8 | 6% | 0.062 | 49% | 0.485 | C | S | . | . | trans | 78.4 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S75 R77 E80 E110 | S75-G108 WeakPolarHBondContact O-CA 3.45Å; R77-G108 WeakPolarHBondContact CB-O 3.38Å; E80-G108 PolarHBondContact OE2-N 3.43Å; G108-E110 PolarHBondContact O-N 3.22Å | ||
| 109 | S | 85.3 | Confident | 77.3 | Confident | 20 Ų | 20 | 94.1 Ų | 94.1 | 14% | 0.14 | 51% | 0.513 | C | S | . | . | trans | -71.1 | 126.2 | -173.1 | 66.3 | 0 | 0 | 0 | 0 | 112.3 | V38 S75 R111 | V38-S109 WeakPolarHBondContact CG2-OG 3.3Å; S75-S109 PolarHBondContact OG-N 2.87Å; S75-S109 PolarHBondContact OG-OG 2.99Å; S109-R111 PolarHBondContact O-N 3.32Å | ||
| 110 | E | 74.9 | Confident | 75.5 | Confident | 141 Ų | 141 | 98.1 Ų | 98.1 | 66% | 0.659 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -54.5 | -24 | 174.2 | -143 | 93.3 | 86.5 | 0 | 0 | 112.2 | R77 G108 R112 | R77-E110 IonicContact CZ-OE1 3.93Å; R77-E110 IonicContact NH1-OE1 2.73Å; R77-E110 PolarHBondContact NH1-OE1 3.19Å; R77-E110 IonicContact NH2-OE1 2.82Å; G108-E110 PolarHBondContact O-N 3.22Å; E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 2.81Å |
| 111 | R | 66.6 | Low | 73.8 | Confident | 232 Ų | 232 | 107 Ų | 107 | 88% | 0.875 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -74.4 | -8.5 | -167.2 | -164.9 | 173.9 | -71.9 | -115.8 | 3.2 | 114.4 | S109 | S109-R111 PolarHBondContact O-N 3.32Š|
| 112 | R | 61.4 | Low | 72.2 | Confident | 172 Ų | 172 | 109.5 Ų | 109.5 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -134.8 | 45.1 | 176.7 | -153.4 | 169 | 178.8 | -138 | -0 | 114.1 | E110 | E110-R112 VanDerWaalsContact C-N 3.28Å; E110-R112 PolarHBondContact O-N 2.81Å |
| 113 | Q | 55.9 | Low | 70.5 | Confident | 167 Ų | 167 | 116 Ų | 116 | 78% | 0.78 | 59% | 0.59 | S | S | * | * | trans | -128.3 | 55.4 | 151.8 | -59.3 | -171.8 | 21.5 | 0 | 0 | 109.4 | P115 | Q113-P115 VanDerWaalsContact C-CD 3.43Å; Q113-P115 WeakPolarHBondContact O-CD 3.26Å | ||
| 114 | K | 55.2 | Low | 68.5 | Low | 188 Ų | 188 | 125 Ų | 125 | 82% | 0.817 | 61% | 0.612 | S | S | * | * | trans | -81 | 99 | 149.1 | -137.6 | 165.1 | -172.6 | 172.8 | 0 | 103.7 | K116 | K114-K116 PolarHBondContact O-N 2.96Å; K114-K116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | P | 59.6 | Low | 66.8 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | trans | -46.8 | 129.1 | 156.9 | 21.2 | -30.1 | 0 | 0 | 0 | 104.6 | Q113 P117 | Q113-P115 VanDerWaalsContact C-CD 3.43Å; Q113-P115 WeakPolarHBondContact O-CD 3.26Å; P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.26Å | ||
| 116 | K | 56.6 | Low | 64.9 | Low | 183 Ų | 183 | 131.2 Ų | 131.2 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | trans | -44.5 | 114 | 169.7 | -177 | 176.3 | -175.8 | 175.2 | 0 | 103.8 | K114 P118 | K114-K116 PolarHBondContact O-N 2.96Å; K114-K116 VanDerWaalsContact O-N 3.1Å; K116-P118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | P | 61.9 | Low | 63.3 | Low | 83 Ų | 83 | 140.4 Ų | 140.4 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | trans | -50.3 | 133.3 | 177.9 | 19.1 | -29.5 | 0 | 0 | 0 | 104.4 | P115 A119 | P115-P117 VanDerWaalsContact O-CD 3.25Å; P115-P117 WeakPolarHBondContact O-CD 3.26Å; P117-A119 PolarHBondContact O-N 2.79Å | ||
| 118 | P | 59.7 | Low | 61.9 | Low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -44.7 | 121.4 | 176.4 | 18.8 | -30.5 | 0 | 0 | 0 | 104.9 | K116 | K116-P118 VanDerWaalsContact O-N 3.11Š| ||
| 119 | A | 62.8 | Low | 61.1 | Low | 70 Ų | 70 | 139.5 Ų | 139.5 | 58% | 0.579 | 68% | 0.676 | S | S | * | * | trans | -43 | 124.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 105.6 | P117 Q121 | P117-A119 PolarHBondContact O-N 2.79Å; A119-Q121 PolarHBondContact O-N 2.71Å | ||
| 120 | P | 57.6 | Low | 61.1 | Low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -50.2 | 120 | -170.7 | 17 | -29 | 0 | 0 | 0 | 106 | Q122 | P120-Q122 HydrophobicContact CB-CB 4.23Å; P120-Q122 HydrophobicContact CB-CG 4Å; P120-Q122 PolarHBondContact O-N 2.88Å | ||
| 121 | Q | 59.6 | Low | 61.7 | Low | 193 Ų | 193 | 136.3 Ų | 136.3 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | trans | -66.7 | 37.6 | 165.8 | -74.8 | 176.7 | -57.2 | 0 | 0 | 108.9 | A119 R123 | A119-Q121 PolarHBondContact O-N 2.71Å; Q121-R123 PolarHBondContact O-N 2.98Å | ||
| 122 | Q | 57.3 | Low | 62.6 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -73.3 | 80.6 | 157.7 | -68.4 | -58.5 | -39.7 | 0 | 0 | 104.9 | P120 W124 | P120-Q122 HydrophobicContact CB-CB 4.23Å; P120-Q122 HydrophobicContact CB-CG 4Å; P120-Q122 PolarHBondContact O-N 2.88Å; Q122-W124 VanDerWaalsContact C-N 3.33Å; Q122-W124 PolarHBondContact O-N 3.49Å | ||
| 123 | R | 55.6 | Low | 63.8 | Low | 209 Ų | 209 | 124.1 Ų | 124.1 | 79% | 0.789 | 61% | 0.612 | S | S | * | * | trans | 2.4 | 89.2 | 149.1 | -70.8 | 172.6 | 165.2 | -114.8 | 4.3 | 109.2 | Q121 K125 | Q121-R123 PolarHBondContact O-N 2.98Å; R123-K125 PolarHBondContact O-N 3.38Å | ||
| 124 | W | 48.7 | Very low | 65.3 | Low | 225 Ų | 225 | 118.1 Ų | 118.1 | 85% | 0.852 | 59% | 0.588 | S | S | * | * | trans | -64.6 | 90.7 | 159.1 | -144.7 | 61.8 | 0 | 0 | 0 | 102.6 | Q122 P126 | Q122-W124 VanDerWaalsContact C-N 3.33Å; Q122-W124 PolarHBondContact O-N 3.49Å; W124-P126 WeakPolarHBondContact O-CD 3.17Å | ||
| 125 | K | 57.3 | Low | 66.6 | Low | 142 Ų | 142 | 110.4 Ų | 110.4 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | trans | -45.2 | 119 | 167.4 | -121.4 | 93 | 160.8 | -170.6 | 0 | 101.8 | R123 K127 | R123-K125 PolarHBondContact O-N 3.38Å; K125-K127 PolarHBondContact O-N 2.95Å | ||
| 126 | P | 54.3 | Low | 67.8 | Low | 106 Ų | 106 | 106.6 Ų | 106.6 | 69% | 0.688 | 54% | 0.541 | S | S | * | . | trans | -50.9 | 127.5 | 172.1 | 20.5 | -28.9 | 0 | 0 | 0 | 104.7 | W124 G128 | W124-P126 WeakPolarHBondContact O-CD 3.17Å; P126-G128 PolarHBondContact O-N 3.2Å | ||
| 127 | K | 59.3 | Low | 69.2 | Low | 200 Ų | 200 | 103.6 Ų | 103.6 | 87% | 0.87 | 53% | 0.533 | S | S | * | . | trans | -70.6 | 58.4 | 173 | -163.3 | 176.7 | -177.2 | -173.9 | 0 | 106.5 | K125 | K125-K127 PolarHBondContact O-N 2.95Š| ||
| 128 | G | 61.9 | Low | 70.3 | Confident | 36 Ų | 36 | 107.1 Ų | 107.1 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | trans | -79.7 | 118.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | P126 R130 | P126-G128 PolarHBondContact O-N 3.2Å; G128-R130 VanDerWaalsContact O-CG 3.3Å; G128-R130 WeakPolarHBondContact O-CG 3.45Å; G128-R130 PolarHBondContact O-N 2.82Å | ||
| 129 | D | 72.6 | Confident | 71.6 | Confident | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | trans | -65 | 82.4 | -179.9 | -149.4 | -3.1 | 0 | 0 | 0 | 107.9 | Y132 H140 | D129-Y132 PolarHBondContact OD1-OH 3.18Å; D129-H140 WeakPolarHBondContact CB-NE2 3.25Å; D129-H140 IonicContact OD2-CD2 3.39Å; D129-H140 PolarHBondContact OD2-CD2 3.2Å; D129-H140 IonicContact OD2-CE1 3.87Å; D129-H140 IonicContact OD2-NE2 2.71Å; D129-H140 PolarHBondContact OD2-NE2 2.8Å | ||
| 130 | R | 84.4 | Confident | 72.8 | Confident | 91 Ų | 91 | 103.5 Ų | 103.5 | 34% | 0.343 | 51% | 0.508 | S | S | . | . | trans | -65.9 | 142.3 | -177.2 | -44.4 | -166.8 | -155.9 | 148.6 | 14.9 | 108.2 | G128 Y132 G136 L137 | G128-R130 VanDerWaalsContact O-CG 3.3Å; G128-R130 WeakPolarHBondContact O-CG 3.45Å; G128-R130 PolarHBondContact O-N 2.82Å; R130-Y132 PolarHBondContact O-N 2.86Å; R130-G136 WeakPolarHBondContact CA-O 3.29Å; R130-L137 HydrophobicContact CB-CD2 4.37Å; R130-L137 HydrophobicContact CG-CD2 3.65Å | ||
| 131 | C | 86.7 | Confident | 74.3 | Confident | 2 Ų | 2 | 100.8 Ų | 100.8 | 1% | 0.014 | 49% | 0.494 | C | S | . | . | trans | -50.2 | 118.9 | 172.2 | 177 | 0 | 0 | 0 | 0 | 110.9 | N133 C134 G135 G136 H139 C144 | C131-N133 PolarHBondContact O-N 2.82Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.31Å; C131-N133 VanDerWaalsContact SG-N 3.43Å; C131-C134 PolarHBondContact SG-N 2.95Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C131-G135 WeakPolarHBondContact O-CA 3.41Å; C131-G135 PolarHBondContact O-N 2.85Å; C131-G136 PolarHBondContact N-O 2.91Å; C131-H139 WeakPolarHBondContact CA-O 3.48Å; C131-H139 VanDerWaalsContact CB-O 3.3Å; C131-H139 WeakPolarHBondContact CB-O 3.24Å; C131-H139 PolarHBondContact N-O 3.47Å; C131-H139 VanDerWaalsContact SG-CD2 3.55Å; C131-H139 PolarHBondContact SG-NE2 2.85Å; C131-C144 VanDerWaalsContact SG-SG 3.63Å | ||
| 132 | Y | 86.5 | Confident | 75.7 | Confident | 125 Ų | 125 | 99.8 Ų | 99.8 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.3 | 179 | -60.9 | -67.1 | 0 | 0 | 0 | 113.5 | D129 R130 H154 | D129-Y132 PolarHBondContact OD1-OH 3.18Å; R130-Y132 PolarHBondContact O-N 2.86Å; Y132-H154 AromaticContact CD1-CE1 3.33Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.36Å; Y132-H154 AromaticContact CD1-ND1 3.5Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.21Å; Y132-H154 AromaticContact CE1-CE1 3.79Å; Y132-H154 AromaticContact CE1-ND1 3.72Å |
| 133 | N | 86.4 | Confident | 77.2 | Confident | 23 Ų | 23 | 97.9 Ų | 97.9 | 12% | 0.123 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -62.4 | 176.5 | -162.6 | 35.8 | 0 | 0 | 0 | 111.5 | C131 A141 C144 L146 P147 Q149 | C131-N133 PolarHBondContact O-N 2.82Å; C131-N133 VanDerWaalsContact O-N 3.16Å; C131-N133 PolarHBondContact SG-N 3.31Å; C131-N133 VanDerWaalsContact SG-N 3.43Å; N133-A141 HydrophobicContact CB-CB 4.22Å; N133-C144 HydrophobicContact CB-CB 4.07Å; N133-L146 PolarHBondContact ND2-O 2.88Å; N133-P147 PolarHBondContact ND2-O 3.44Å; N133-P147 VanDerWaalsContact ND2-O 3.12Å; N133-Q149 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q149 PolarHBondContact OD1-N 2.9Å |
| 134 | C | 87.5 | Confident | 78.8 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 28% | 0.284 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -23.4 | -173.5 | 75.2 | 0 | 0 | 0 | 0 | 114.7 | C131 G136 H139 C144 L146 K152 | C131-C134 PolarHBondContact SG-N 2.95Å; C131-C134 VanDerWaalsContact SG-N 3.37Å; C134-G136 PolarHBondContact SG-N 3.47Å; C134-H139 PolarHBondContact SG-CE1 2.94Å; C134-H139 PolarHBondContact SG-NE2 3.16Å; C134-C144 VanDerWaalsContact SG-SG 3.68Å; C134-L146 HydrophobicContact CB-CD1 3.65Å; C134-K152 PolarHBondContact O-NZ 3.5Å |
| 135 | G | 82.4 | Confident | 80.8 | Confident | 26 Ų | 26 | 83.8 Ų | 83.8 | 27% | 0.268 | 45% | 0.445 | S | S | . | . | trans | 88.5 | 5.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C131 | C131-G135 WeakPolarHBondContact O-CA 3.41Å; C131-G135 PolarHBondContact O-N 2.85Å | ||
| 136 | G | 85.8 | Confident | 82.2 | Confident | 24 Ų | 24 | 81.3 Ų | 81.3 | 25% | 0.247 | 44% | 0.439 | C | S | . | . | trans | -60.4 | 155.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R130 C131 C134 | R130-G136 WeakPolarHBondContact CA-O 3.29Å; C131-G136 PolarHBondContact N-O 2.91Å; C134-G136 PolarHBondContact SG-N 3.47Å | ||
| 137 | L | 85.3 | Confident | 83.9 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 62% | 0.623 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -95.7 | -14.7 | -175.6 | -60.4 | -179 | 0 | 0 | 0 | 113.5 | R130 | R130-L137 HydrophobicContact CB-CD2 4.37Å; R130-L137 HydrophobicContact CG-CD2 3.65Å |
| 138 | D | 84.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 76.8 Ų | 76.8 | 84% | 0.84 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -102.4 | 5.3 | -169 | -51.9 | -69.6 | 0 | 0 | 0 | 114.1 | ||
| 139 | H | 86.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 79.5 Ų | 79.5 | 21% | 0.213 | 43% | 0.433 | C | S | . | . | trans | -156.8 | 159.2 | 177.6 | 62.6 | -86.4 | 0 | 0 | 0 | 112.2 | C131 C134 E143 C144 | C131-H139 WeakPolarHBondContact CA-O 3.48Å; C131-H139 VanDerWaalsContact CB-O 3.3Å; C131-H139 WeakPolarHBondContact CB-O 3.24Å; C131-H139 PolarHBondContact N-O 3.47Å; C131-H139 VanDerWaalsContact SG-CD2 3.55Å; C131-H139 PolarHBondContact SG-NE2 2.85Å; C134-H139 PolarHBondContact SG-CE1 2.94Å; C134-H139 PolarHBondContact SG-NE2 3.16Å; H139-E143 HydrophobicContact CB-CB 4.13Å; H139-C144 PolarHBondContact NE2-SG 2.95Å | ||
| 140 | H | 88.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 80.3 Ų | 80.3 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | trans | -91 | 163.4 | 168.8 | -68.4 | 90.8 | 0 | 0 | 0 | 111.3 | D129 K142 E143 C144 | D129-H140 WeakPolarHBondContact CB-NE2 3.25Å; D129-H140 IonicContact OD2-CD2 3.39Å; D129-H140 PolarHBondContact OD2-CD2 3.2Å; D129-H140 IonicContact OD2-CE1 3.87Å; D129-H140 IonicContact OD2-NE2 2.71Å; D129-H140 PolarHBondContact OD2-NE2 2.8Å; H140-K142 HydrophobicContact CB-CG 4.29Å; H140-K142 PolarHBondContact O-N 2.88Å; H140-E143 PolarHBondContact O-N 2.83Å; H140-C144 PolarHBondContact O-N 2.98Å | ||
| 141 | A | 88.3 | Confident | 87.2 | Confident | 43 Ų | 43 | 83.8 Ų | 83.8 | 36% | 0.355 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -55.5 | -25.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N133 E143 C144 | N133-A141 HydrophobicContact CB-CB 4.22Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 2.83Å; A141-C144 WeakPolarHBondContact O-CB 3.5Å; A141-C144 PolarHBondContact O-N 2.89Å |
| 142 | K | 89 | Confident | 87.3 | Confident | 172 Ų | 172 | 86.2 Ų | 86.2 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -69.2 | -21.6 | 176.3 | 72.6 | -166.9 | -174.8 | -164.7 | 0 | 113.9 | H140 | H140-K142 HydrophobicContact CB-CG 4.29Å; H140-K142 PolarHBondContact O-N 2.88Å |
| 143 | E | 88.4 | Confident | 87.4 | Confident | 119 Ų | 119 | 80.2 Ų | 80.2 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -111.2 | 8.2 | -178.9 | -73.8 | 154.1 | -137.8 | 0 | 0 | 111.4 | H139 H140 A141 S145 | H139-E143 HydrophobicContact CB-CB 4.13Å; H140-E143 PolarHBondContact O-N 2.83Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 2.83Å; E143-S145 PolarHBondContact O-N 3.07Å |
| 144 | C | 90.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 84.4 Ų | 84.4 | 14% | 0.135 | 47% | 0.465 | C | S | . | . | trans | -75.5 | 122.7 | -178.8 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | C131 N133 C134 H139 H140 A141 L146 | C131-C144 VanDerWaalsContact SG-SG 3.63Å; N133-C144 HydrophobicContact CB-CB 4.07Å; C134-C144 VanDerWaalsContact SG-SG 3.68Å; H139-C144 PolarHBondContact NE2-SG 2.95Å; H140-C144 PolarHBondContact O-N 2.98Å; A141-C144 WeakPolarHBondContact O-CB 3.5Å; A141-C144 PolarHBondContact O-N 2.89Å; C144-L146 PolarHBondContact O-N 2.77Å | ||
| 145 | S | 89.9 | Confident | 87.1 | Confident | 118 Ų | 118 | 88.1 Ų | 88.1 | 83% | 0.825 | 47% | 0.474 | S | S | * | . | trans | -72.3 | -10.3 | 177.1 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | E143 | E143-S145 PolarHBondContact O-N 3.07Š| ||
| 146 | L | 86.8 | Confident | 87.3 | Confident | 91 Ų | 91 | 88.8 Ų | 88.8 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -83.8 | 146.3 | 176.7 | -66.5 | 180 | 0 | 0 | 0 | 111.1 | N133 C134 C144 | N133-L146 PolarHBondContact ND2-O 2.88Å; C134-L146 HydrophobicContact CB-CD1 3.65Å; C144-L146 PolarHBondContact O-N 2.77Å |
| 147 | P | 88.7 | Confident | 87.2 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 56% | 0.558 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 158 | 172.9 | 25.3 | -32.7 | 0 | 0 | 0 | 110.7 | N133 Q149 | N133-P147 PolarHBondContact ND2-O 3.44Å; N133-P147 VanDerWaalsContact ND2-O 3.12Å; P147-Q149 WeakPolarHBondContact O-CG 3.48Å; P147-Q149 PolarHBondContact O-N 3.32Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 3.27Å |
| 148 | P | 89.3 | Confident | 87.3 | Confident | 125 Ų | 125 | 88.5 Ų | 88.5 | 81% | 0.812 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 117.5 | 179.2 | -25.5 | 34.2 | 0 | 0 | 0 | 111.9 | ||
| 149 | Q | 87.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 84.5 Ų | 84.5 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 153.5 | 179.4 | -61.7 | -55.7 | -58.9 | 0 | 0 | 110.3 | N133 P147 K151 | N133-Q149 WeakPolarHBondContact OD1-CB 3.39Å; N133-Q149 PolarHBondContact OD1-N 2.9Å; P147-Q149 WeakPolarHBondContact O-CG 3.48Å; P147-Q149 PolarHBondContact O-N 3.32Å; P147-Q149 VanDerWaalsContact O-N 3.09Å; P147-Q149 PolarHBondContact O-NE2 3.27Å; Q149-K151 PolarHBondContact O-N 3.27Å |
| 150 | P | 87.2 | Confident | 87.6 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 138.8 | 173.6 | 24 | -33.7 | 0 | 0 | 0 | 110.9 | K152 | P150-K152 PolarHBondContact O-N 2.82Š|
| 151 | K | 84.1 | Confident | 87.5 | Confident | 165 Ų | 165 | 86.7 Ų | 86.7 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 129.4 | -177.8 | -68.4 | -176.5 | -179.1 | 173.7 | 0 | 110.2 | Q149 | Q149-K151 PolarHBondContact O-N 3.27Š|
| 152 | K | 89.9 | Confident | 87.5 | Confident | 52 Ų | 52 | 90 Ų | 90 | 23% | 0.226 | 48% | 0.484 | C | S | . | . | trans | -106.2 | 152.4 | 177.4 | 62.6 | -169.9 | 175 | -168.5 | 0 | 111.8 | C134 P150 H154 Q157 S158 | C134-K152 PolarHBondContact O-NZ 3.5Å; P150-K152 PolarHBondContact O-N 2.82Å; K152-H154 PolarHBondContact O-N 2.84Å; K152-Q157 HydrophobicContact CD-CB 4.3Å; K152-S158 CarbonylContact C-O 3.51Å; K152-S158 VanDerWaalsContact CA-O 3.28Å; K152-S158 WeakPolarHBondContact CA-O 3.44Å | ||
| 153 | C | 87.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 84.3 Ų | 84.3 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | -54.5 | 121.8 | 170.3 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | Y155 C156 Q157 S158 H161 C166 | C153-Y155 PolarHBondContact O-N 2.73Å; C153-Y155 VanDerWaalsContact O-N 3.1Å; C153-Y155 PolarHBondContact SG-N 2.79Å; C153-C156 VanDerWaalsContact CB-SG 3.58Å; C153-C156 PolarHBondContact SG-SG 3.37Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 2.9Å; C153-S158 PolarHBondContact N-O 2.8Å; C153-H161 WeakPolarHBondContact CB-O 3.27Å; C153-H161 PolarHBondContact N-O 2.82Å; C153-C166 VanDerWaalsContact SG-SG 3.61Å | ||
| 154 | H | 85.1 | Confident | 87.3 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -13.1 | 179.1 | -57.4 | -77.8 | 0 | 0 | 0 | 113.7 | Y132 K152 V163 | Y132-H154 AromaticContact CD1-CE1 3.33Å; Y132-H154 WeakPolarHBondContact CD1-CE1 3.36Å; Y132-H154 AromaticContact CD1-ND1 3.5Å; Y132-H154 WeakPolarHBondContact CD1-ND1 3.21Å; Y132-H154 AromaticContact CE1-CE1 3.79Å; Y132-H154 AromaticContact CE1-ND1 3.72Å; K152-H154 PolarHBondContact O-N 2.84Å; H154-V163 HydrophobicContact CB-CG2 4.27Å |
| 155 | Y | 83.6 | Confident | 87.3 | Confident | 120 Ų | 120 | 88.6 Ų | 88.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -62.8 | 178.6 | -169 | -93 | 0 | 0 | 0 | 111.5 | C153 Q157 H168 | C153-Y155 PolarHBondContact O-N 2.73Å; C153-Y155 VanDerWaalsContact O-N 3.1Å; C153-Y155 PolarHBondContact SG-N 2.79Å; Y155-Q157 PolarHBondContact O-NE2 2.96Å; Y155-H168 HydrophobicContact CD1-CB 4.07Å; Y155-H168 HydrophobicContact CE1-CB 3.82Å; Y155-H168 WeakPolarHBondContact CE1-O 3.49Å |
| 156 | C | 86.1 | Confident | 87.1 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 26% | 0.264 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -1.9 | -174.7 | 68.2 | 0 | 0 | 0 | 0 | 114.8 | C153 S158 H161 C166 | C153-C156 VanDerWaalsContact CB-SG 3.58Å; C153-C156 PolarHBondContact SG-SG 3.37Å; C156-S158 PolarHBondContact O-N 2.83Å; C156-H161 VanDerWaalsContact SG-CE1 3.59Å; C156-H161 PolarHBondContact SG-NE2 2.74Å; C156-C166 VanDerWaalsContact SG-SG 3.61Å |
| 157 | Q | 84.4 | Confident | 87.1 | Confident | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | trans | 63.8 | 14.1 | -176.4 | -58.6 | 120.7 | 74.5 | 0 | 0 | 116.1 | K152 C153 Y155 | K152-Q157 HydrophobicContact CD-CB 4.3Å; C153-Q157 WeakPolarHBondContact O-CA 3.41Å; C153-Q157 PolarHBondContact O-N 2.9Å; Y155-Q157 PolarHBondContact O-NE2 2.96Å | ||
| 158 | S | 87.2 | Confident | 86.8 | Confident | 33 Ų | 33 | 85.9 Ų | 85.9 | 23% | 0.231 | 47% | 0.469 | C | S | . | . | trans | -66 | 139.6 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | K152 C153 C156 T160 H161 | K152-S158 CarbonylContact C-O 3.51Å; K152-S158 VanDerWaalsContact CA-O 3.28Å; K152-S158 WeakPolarHBondContact CA-O 3.44Å; C153-S158 PolarHBondContact N-O 2.8Å; C156-S158 PolarHBondContact O-N 2.83Å; S158-T160 VanDerWaalsContact C-N 3.32Å; S158-T160 PolarHBondContact OG-N 2.8Å; S158-T160 PolarHBondContact OG-OG1 2.82Å; S158-H161 WeakPolarHBondContact CB-CE1 3.44Å | ||
| 159 | A | 86.7 | Confident | 86.4 | Confident | 73 Ų | 73 | 86.4 Ų | 86.4 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -82.9 | -7.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 160 | T | 89.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 86 Ų | 86 | 76% | 0.755 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -86.8 | -21 | -173.7 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | S158 | S158-T160 VanDerWaalsContact C-N 3.32Å; S158-T160 PolarHBondContact OG-N 2.8Å; S158-T160 PolarHBondContact OG-OG1 2.82Å |
| 161 | H | 87.1 | Confident | 84.9 | Confident | 36 Ų | 36 | 87.6 Ų | 87.6 | 17% | 0.167 | 47% | 0.47 | C | S | . | . | trans | -149.4 | 158 | -175.2 | 61 | -92.2 | 0 | 0 | 0 | 111.3 | C153 C156 S158 H165 C166 | C153-H161 WeakPolarHBondContact CB-O 3.27Å; C153-H161 PolarHBondContact N-O 2.82Å; C156-H161 VanDerWaalsContact SG-CE1 3.59Å; C156-H161 PolarHBondContact SG-NE2 2.74Å; S158-H161 WeakPolarHBondContact CB-CE1 3.44Å; H161-H165 HydrophobicContact CB-CB 4.37Å; H161-C166 VanDerWaalsContact CD2-CA 3.43Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 WeakPolarHBondContact NE2-CA 3.34Å | ||
| 162 | M | 88.4 | Confident | 83.7 | Confident | 113 Ų | 113 | 81.6 Ų | 81.6 | 56% | 0.557 | 46% | 0.455 | S | S | * | . | trans | -91.4 | 167.6 | 171.4 | -65.6 | -177 | 66.7 | 0 | 0 | 111.1 | A164 H165 C166 | M162-A164 PolarHBondContact O-N 3.44Å; M162-H165 PolarHBondContact O-N 3.29Å; M162-C166 PolarHBondContact O-N 3.08Å | ||
| 163 | V | 87.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 85.1 Ų | 85.1 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -55.1 | -27.4 | -176.2 | 108.5 | 0 | 0 | 0 | 0 | 113.7 | H154 H165 C166 | H154-V163 HydrophobicContact CB-CG2 4.27Å; V163-H165 VanDerWaalsContact C-N 3.27Å; V163-H165 PolarHBondContact O-N 2.85Å; V163-C166 PolarHBondContact O-N 2.97Å |
| 164 | A | 86.4 | Confident | 79.9 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 65% | 0.653 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -65.2 | -27.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M162 | M162-A164 PolarHBondContact O-N 3.44Š|
| 165 | H | 89.6 | Confident | 77.8 | Confident | 151 Ų | 151 | 93.2 Ų | 93.2 | 70% | 0.699 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -116.6 | 20.7 | -178.3 | -55.9 | -65.4 | 0 | 0 | 0 | 112 | H161 M162 V163 P167 | H161-H165 HydrophobicContact CB-CB 4.37Å; M162-H165 PolarHBondContact O-N 3.29Å; V163-H165 VanDerWaalsContact C-N 3.27Å; V163-H165 PolarHBondContact O-N 2.85Å; H165-P167 VanDerWaalsContact O-CD 3.3Å; H165-P167 WeakPolarHBondContact O-CD 3.17Å |
| 166 | C | 86.5 | Confident | 76 | Confident | 9 Ų | 9 | 93.6 Ų | 93.6 | 6% | 0.061 | 56% | 0.555 | C | S | . | * | trans | -74.4 | 114.7 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 111 | C153 C156 H161 M162 V163 H168 R169 | C153-C166 VanDerWaalsContact SG-SG 3.61Å; C156-C166 VanDerWaalsContact SG-SG 3.61Å; H161-C166 VanDerWaalsContact CD2-CA 3.43Å; H161-C166 WeakPolarHBondContact CD2-CA 3.49Å; H161-C166 WeakPolarHBondContact NE2-CA 3.34Å; M162-C166 PolarHBondContact O-N 3.08Å; V163-C166 PolarHBondContact O-N 2.97Å; C166-H168 PolarHBondContact O-N 3.26Å; C166-H168 VanDerWaalsContact O-N 3.14Å; C166-R169 HydrophobicContact CB-CB 4.04Å; C166-R169 WeakPolarHBondContact O-CB 3.14Å; C166-R169 PolarHBondContact O-N 2.92Å | ||
| 167 | P | 86.2 | Confident | 73.9 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 66% | 0.662 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -19.3 | -178 | 28.8 | -35.3 | 0 | 0 | 0 | 112.5 | H165 | H165-P167 VanDerWaalsContact O-CD 3.3Å; H165-P167 WeakPolarHBondContact O-CD 3.17Å |
| 168 | H | 82.7 | Confident | 72 | Confident | 127 Ų | 127 | 95.5 Ų | 95.5 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -9 | 176.1 | -57 | -67.7 | 0 | 0 | 0 | 113.6 | Y155 C166 P170 | Y155-H168 HydrophobicContact CD1-CB 4.07Å; Y155-H168 HydrophobicContact CE1-CB 3.82Å; Y155-H168 WeakPolarHBondContact CE1-O 3.49Å; C166-H168 PolarHBondContact O-N 3.26Å; C166-H168 VanDerWaalsContact O-N 3.14Å; H168-P170 VanDerWaalsContact O-CD 3.31Å; H168-P170 WeakPolarHBondContact O-CD 3.37Å |
| 169 | R | 80.8 | Confident | 69.8 | Low | 136 Ų | 136 | 98.6 Ų | 98.6 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -79.3 | 117 | 178.8 | -175.9 | 175.4 | 180 | -107.6 | -0.1 | 107.4 | C166 | C166-R169 HydrophobicContact CB-CB 4.04Å; C166-R169 WeakPolarHBondContact O-CB 3.14Å; C166-R169 PolarHBondContact O-N 2.92Å |
| 170 | P | 74.8 | Confident | 67.6 | Low | 82 Ų | 82 | 101.1 Ų | 101.1 | 53% | 0.532 | 62% | 0.622 | S | S | . | * | trans | -60.3 | 140.5 | 174.6 | 24.7 | -31.9 | 0 | 0 | 0 | 108.9 | H168 G172 | H168-P170 VanDerWaalsContact O-CD 3.31Å; H168-P170 WeakPolarHBondContact O-CD 3.37Å; P170-G172 PolarHBondContact O-N 2.82Å | ||
| 171 | P | 68.7 | Low | 65.6 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 85% | 0.851 | 62% | 0.624 | S | S | * | * | trans | -57.9 | 112.2 | 172.3 | 22.8 | -29.8 | 0 | 0 | 0 | 107.3 | ||||
| 172 | G | 58.8 | Low | 63.5 | Low | 39 Ų | 39 | 104 Ų | 104 | 40% | 0.402 | 65% | 0.652 | S | S | . | * | trans | -63 | 155.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P170 L174 | P170-G172 PolarHBondContact O-N 2.82Å; G172-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact O-N 3.13Å | ||
| 173 | P | 51 | Low | 61.8 | Low | 126 Ų | 126 | 107.7 Ų | 107.7 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | trans | -54.4 | 125.4 | 167.5 | 23.5 | -30.4 | 0 | 0 | 0 | 107.7 | S175 | P173-S175 PolarHBondContact O-N 3.01Š| ||
| 174 | L | 45.3 | Very low | 59.4 | Low | 170 Ų | 170 | 108.8 Ų | 108.8 | 89% | 0.89 | 69% | 0.69 | S | S | * | * | trans | -56.4 | 103.1 | 173.7 | -68.9 | 161.9 | 0 | 0 | 0 | 107.3 | G172 P176 | G172-L174 PolarHBondContact O-N 3.34Å; G172-L174 VanDerWaalsContact O-N 3.13Å; L174-P176 WeakPolarHBondContact O-CD 3.38Å | ||
| 175 | S | 42 | Very low | 57.3 | Low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 120.3 | 159.3 | -63.6 | 0 | 0 | 0 | 0 | 106.3 | P173 G177 | P173-S175 PolarHBondContact O-N 3.01Å; S175-G177 PolarHBondContact O-N 3.01Å; S175-G177 VanDerWaalsContact O-N 3.08Å | ||
| 176 | P | 46.8 | Very low | 54.9 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | trans | -63.4 | 115.3 | 168.8 | 25.4 | -29.4 | 0 | 0 | 0 | 107 | L174 | L174-P176 WeakPolarHBondContact O-CD 3.38Š| ||
| 177 | G | 40.3 | Very low | 52.6 | Low | 57 Ų | 57 | 125.8 Ų | 125.8 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | trans | -61 | 156.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S175 A179 | S175-G177 PolarHBondContact O-N 3.01Å; S175-G177 VanDerWaalsContact O-N 3.08Å; G177-A179 PolarHBondContact O-N 3.05Å; G177-A179 VanDerWaalsContact O-N 3.12Å | ||
| 178 | P | 45.3 | Very low | 50.4 | Low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -63 | 120.5 | 177.3 | 27.6 | -31.4 | 0 | 0 | 0 | 108.3 | T180 | P178-T180 PolarHBondContact O-N 3.05Š| ||
| 179 | A | 40.8 | Very low | 48.5 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -60.5 | 105.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | G177 A181 | G177-A179 PolarHBondContact O-N 3.05Å; G177-A179 VanDerWaalsContact O-N 3.12Å; A179-A181 PolarHBondContact O-N 2.96Å | ||
| 180 | T | 41.4 | Very low | 46.5 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | trans | -65.8 | 101.1 | 164.2 | 33.5 | 0 | 0 | 0 | 0 | 107.2 | P178 T182 | P178-T180 PolarHBondContact O-N 3.05Å; T180-T182 PolarHBondContact O-N 2.86Å | ||
| 181 | A | 46.7 | Very low | 44.6 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -68.2 | 80.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A179 Q183 | A179-A181 PolarHBondContact O-N 2.96Å; A181-Q183 PolarHBondContact O-N 2.91Å | ||
| 182 | T | 44.3 | Very low | 43 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -79.4 | 108.4 | 164.8 | -64.5 | 0 | 0 | 0 | 0 | 107.9 | T180 G184 | T180-T182 PolarHBondContact O-N 2.86Å; T182-G184 PolarHBondContact O-N 3.36Å; T182-G184 VanDerWaalsContact O-N 3.12Å | ||
| 183 | Q | 52.4 | Low | 42.5 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -56.6 | 110.8 | 168.5 | -66.6 | 170.4 | 21.9 | 0 | 0 | 109.4 | A181 | A181-Q183 PolarHBondContact O-N 2.91Š| ||
| 184 | G | 36 | Very low | 42.2 | Very low | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -112.2 | 85.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | T182 R186 | T182-G184 PolarHBondContact O-N 3.36Å; T182-G184 VanDerWaalsContact O-N 3.12Å; G184-R186 PolarHBondContact O-N 2.9Å | ||
| 185 | R | 43.8 | Very low | 41.8 | Very low | 242 Ų | 242 | 138.4 Ų | 138.4 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -65.8 | 114.3 | 172.2 | -166.6 | -178.7 | -161.7 | -108.3 | 4.5 | 110 | ||||
| 186 | R | 38.9 | Very low | 41.6 | Very low | 229 Ų | 229 | 142.3 Ų | 142.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -146.7 | 91.9 | 158.8 | -67 | -168.2 | -171.5 | -95 | -0.6 | 108.6 | G184 | G184-R186 PolarHBondContact O-N 2.9Š| ||
| 187 | T | 37.2 | Very low | 41.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | 70.4 | 92 | 110.8 | 53.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 188 | T | 40.8 | Very low | 41.1 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -60.3 | 124.5 | 155.3 | 41.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | V | 41.8 | Very low | 40.6 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -90.4 | 105.7 | 153.9 | -97.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 190 | D | 39.9 | Very low | 41.3 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -108.6 | 122.6 | 163 | -156.5 | -75.8 | 0 | 0 | 0 | 107.2 | ||||
| 191 | Q | 33.6 | Very low | 40.9 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | trans | -110.7 | 99 | 177.1 | 179.5 | 147.3 | 78 | 0 | 0 | 107.1 | ||||
| 192 | Y | 35.3 | Very low | 40.7 | Very low | 211 Ų | 211 | 149 Ų | 149 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -142.1 | 143.4 | 158.2 | -150.3 | -105.9 | 0 | 0 | 0 | 110.7 | ||||
| 193 | P | 49.9 | Very low | 41.1 | Very low | 91 Ų | 91 | 148.2 Ų | 148.2 | 59% | 0.591 | 79% | 0.793 | S | S | * | * | trans | -93.6 | 159.1 | -157.5 | 34.5 | -29.8 | 0 | 0 | 0 | 114.8 | ||||
| 194 | S | 44.2 | Very low | 40.5 | Very low | 109 Ų | 109 | 144.4 Ų | 144.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 53.9 | 111.8 | 150.3 | -63.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 195 | T | 36.2 | Very low | 41.7 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | 179.9 | 125.9 | 102.3 | 30.9 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 196 | F | 39.2 | Very low | 41.4 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | 46.7 | 134.5 | 146 | -93.4 | -97.2 | 0 | 0 | 0 | 124.8 | ||||
| 197 | T | 35.1 | Very low | 42 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 87.5 | 106.1 | 144.4 | 21.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 198 | T | 40.3 | Very low | 41.9 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 54.4 | 110.9 | 120.6 | -68.4 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 199 | T | 34.8 | Very low | 41.8 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 168.1 | 138.7 | 108.2 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 200 | S | 55 | Low | 41.7 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -49.7 | 150.9 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 201 | Y | 33.6 | Very low | 41.8 | Very low | 214 Ų | 214 | 144 Ų | 144 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | 174.4 | 135.7 | 109.2 | -162 | -110.7 | 0 | 0 | 0 | 111 | P203 | Y201-P203 HydrophobicContact CE1-CG 4.12Š| |||
| 202 | S | 43.7 | Very low | 41.9 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -102.2 | 149.5 | 169.9 | -145.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 203 | P | 51.4 | Low | 42.1 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | -155.4 | 171.8 | 98.5 | 35.6 | -14.2 | 0 | 0 | 0 | 118.2 | Y201 | Y201-P203 HydrophobicContact CE1-CG 4.12Š| |||
| 204 | S | 41 | Very low | 42.1 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -56.6 | 173.9 | -174.9 | -59.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 205 | P | 59.3 | Low | 41.9 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -101.2 | 169.6 | -172.4 | 39.1 | -30.6 | 0 | 0 | 0 | 114.3 | ||||
| 206 | R | 39.3 | Very low | 42.1 | Very low | 243 Ų | 243 | 141.2 Ų | 141.2 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | trans | -136.6 | 140.5 | 173.1 | -107.5 | -176.4 | 155 | -91.6 | -0.8 | 114.4 | ||||
| 207 | Q | 50.2 | Low | 41.9 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -92.5 | 171.6 | -179.6 | -58.7 | 176 | 50.6 | 0 | 0 | 113.2 | ||||
| 208 | G | 35.3 | Very low | 42.1 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | 142.7 | 110.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 209 | N | 39.3 | Very low | 42 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | cis | 96.4 | 121.9 | 40.2 | -154.4 | 44.7 | 0 | 0 | 0 | 114.1 | ||||
| 210 | R | 39.3 | Very low | 42.3 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | trans | 80.6 | 125.5 | 145.7 | -80.7 | 178.1 | 98.6 | -144.5 | 6 | 124.8 | ||||
| 211 | H | 41.9 | Very low | 42.5 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | 72.4 | 130.3 | 123 | -78.2 | 30.8 | 0 | 0 | 0 | 121.8 | |||||
| 212 | S | 35.7 | Very low | 42.9 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 142.8 | 127.4 | 114.9 | -73.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 213 | Q | 39.3 | Very low | 43 | Very low | 183 Ų | 183 | 135 Ų | 135 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -74.2 | 175.8 | 151.5 | -79.2 | -149.8 | -57.6 | 0 | 0 | 109.9 | ||||
| 214 | P | 49.3 | Very low | 42.4 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -157.6 | -179.4 | 35.5 | 41.7 | -17 | 0 | 0 | 0 | 120.9 | ||||
| 215 | S | 41.1 | Very low | 42.3 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 81.6 | 149.5 | 137.1 | 66.5 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 216 | Q | 41 | Very low | 41.3 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 95.7 | 144.8 | 152.9 | -51.3 | -147.5 | 12.4 | 0 | 0 | 118.3 | ||||
| 217 | D | 33.3 | Very low | 41.3 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | cis | -166 | 156.2 | -10.4 | 172 | -111.9 | 0 | 0 | 0 | 108.7 | ||||
| 218 | S | 39.8 | Very low | 41.3 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -7 | 148.3 | 162.6 | -48.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 219 | S | 37.6 | Very low | 42.3 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | 179.8 | 125.4 | 128.1 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 220 | S | 42 | Very low | 42.7 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -111.6 | -173.3 | 158.7 | -60.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 221 | P | 59.2 | Low | 42.9 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -135.7 | -178.6 | -6.5 | 37.2 | -17.3 | 0 | 0 | 0 | 113.6 | ||||
| 222 | L | 42.2 | Very low | 43.6 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -175.6 | 151.5 | 134.6 | -97.2 | 151 | 0 | 0 | 0 | 112.8 | ||||
| 223 | S | 45.2 | Very low | 43.9 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | -84.3 | 162.4 | -158.7 | 45.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 224 | K | 39.1 | Very low | 44.1 | Very low | 189 Ų | 189 | 125.6 Ų | 125.6 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 170 | 104.5 | 134.3 | -93.6 | 163.5 | 179.4 | -173.8 | 0 | 109.5 | ||||
| 225 | S | 38.4 | Very low | 44.1 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | 75.3 | 108.7 | 94.2 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 226 | S | 38.2 | Very low | 44.9 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 72.1 | 139.5 | 110.8 | 65.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 227 | S | 40.6 | Very low | 45.3 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -168.8 | 160.6 | 0.1 | -82.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 228 | S | 49.6 | Very low | 46.3 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 17.1 | 144.4 | 159.1 | -59 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 229 | P | 56.6 | Low | 46.8 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -110.5 | 133.3 | 144.6 | 33.2 | -24.3 | 0 | 0 | 0 | 112.7 | ||||
| 230 | E | 47.8 | Very low | 47.2 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -103.4 | 142.9 | 164.2 | -66.5 | -171.2 | 93.5 | 0 | 0 | 110.2 | ||||
| 231 | D | 44.2 | Very low | 47.5 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -73.4 | 156.5 | 170.7 | -145.4 | -75.4 | 0 | 0 | 0 | 109.9 | A233 | D231-A233 PolarHBondContact OD1-N 3.12Š| ||
| 232 | P | 54.5 | Low | 47.3 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | -151.3 | 135.8 | 94.2 | 32.3 | -11.3 | 0 | 0 | 0 | 116.5 | |||||
| 233 | A | 42.8 | Very low | 47.8 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | 37.2 | 131.5 | 125.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | D231 | D231-A233 PolarHBondContact OD1-N 3.12Š| |||
| 234 | Q | 44.8 | Very low | 48.3 | Very low | 148 Ų | 148 | 146.1 Ų | 146.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | 161.2 | 102 | 119.8 | -82 | -90.6 | -42.5 | 0 | 0 | 110.8 | Q236 | Q234-Q236 VanDerWaalsContact OE1-NE2 3.12Š| |||
| 235 | I | 49.2 | Very low | 49 | Very low | 177 Ų | 177 | 143.3 Ų | 143.3 | 91% | 0.908 | 79% | 0.785 | S | S | * | * | trans | -121.3 | 105.3 | 154.5 | -68 | 178.2 | 0 | 0 | 0 | 107.3 | ||||
| 236 | Q | 56 | Low | 49.7 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 137.8 | 179.6 | -72.7 | 178.8 | -14 | 0 | 0 | 111.4 | Q234 | Q234-Q236 VanDerWaalsContact OE1-NE2 3.12Š| ||
| 237 | R | 49.6 | Very low | 50.8 | Low | 233 Ų | 233 | 149.5 Ų | 149.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -62 | 137.4 | 167.1 | -62.8 | 165 | 164.1 | -112.3 | -2.7 | 110.2 | ||||
| 238 | R | 54.1 | Low | 51.6 | Low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | trans | -132.5 | 96.7 | 150.5 | -83.8 | -173.1 | 172.8 | -112.2 | 0.2 | 110 | ||||
| 239 | S | 51.4 | Low | 51.7 | Low | 119 Ų | 119 | 155.8 Ų | 155.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -74.9 | 137.7 | 151.8 | 35.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 240 | G | 45.9 | Very low | 51.4 | Low | 79 Ų | 79 | 157.1 Ų | 157.1 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -174.6 | 92.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 241 | G | 48.5 | Very low | 51.6 | Low | 69 Ų | 69 | 155.1 Ų | 155.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -91.1 | 151.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 242 | H | 54.9 | Low | 52 | Low | 183 Ų | 183 | 155.8 Ų | 155.8 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -147.4 | 111 | 159.1 | -80.1 | -88.9 | 0 | 0 | 0 | 107 | ||||
| 243 | H | 51.6 | Low | 51.9 | Low | 172 Ų | 172 | 158 Ų | 158 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | 73.4 | 92.6 | 91.8 | -119.1 | -82.6 | 0 | 0 | 0 | 115.5 | |||||
| 244 | R | 57.5 | Low | 52.5 | Low | 213 Ų | 213 | 163.7 Ų | 163.7 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | 25.5 | 121.9 | 126.6 | -143.4 | -174.6 | -165.2 | -141.2 | 3.8 | 118 | |||||
| 245 | L | 53.1 | Low | 53.1 | Low | 130 Ų | 130 | 164.8 Ų | 164.8 | 68% | 0.681 | 84% | 0.843 | S | S | * | * | 174.1 | 136.8 | 122.8 | -120.3 | 64.3 | 0 | 0 | 0 | 115.1 | |||||
| 246 | K | 52.8 | Low | 53.3 | Low | 160 Ų | 160 | 163.8 Ų | 163.8 | 70% | 0.696 | 84% | 0.838 | S | S | * | * | trans | 65.3 | 116.5 | 141.7 | -81.1 | 171.3 | 175.6 | -174.7 | 0 | 120.2 | ||||
| 247 | Q | 61.4 | Low | 53.1 | Low | 171 Ų | 171 | 164.4 Ų | 164.4 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | 66.5 | 106.6 | 92.8 | -73.2 | -179.8 | 5.8 | 0 | 0 | 113.5 | |||||
| 248 | S | 56.7 | Low | 53.4 | Low | 196 Ų | 196 | 158.2 Ų | 158.2 | 100% | 1.371 | 84% | 0.844 | S | S | * | * | 178.3 | 0 | 98.5 | -90.7 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 248 of 248 residues in 140.2 ms
(Link to these results)