| 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 | 73.6 | Confident | 89.5 | Confident | 242 Ų | 242 | 121.5 Ų | 121.5 | 100% | 1.192 | 65% | 0.647 | S | S | * | * | 0 | 98.8 | 0 | -70.1 | -64.5 | -165 | 0 | 0 | 109.1 | |||||
| 2 | T | 86.7 | Confident | 89.9 | Confident | 105 Ų | 105 | 122.5 Ų | 122.5 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | trans | -94.1 | 129.6 | -175 | -33.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | K | 88.7 | Confident | 90.3 | Very high | 200 Ų | 200 | 123.3 Ų | 123.3 | 87% | 0.87 | 65% | 0.65 | S | S | * | * | trans | -80.7 | 156 | 167.4 | -64.9 | 174.3 | -177.8 | 172.7 | 0 | 108.8 | ||||
| 4 | G | 88.2 | Confident | 90.6 | Very high | 27 Ų | 27 | 125.1 Ų | 125.1 | 28% | 0.278 | 65% | 0.65 | S | S | . | * | S | Bend | trans | 97.2 | -134.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T6 S7 F8 | G4-T6 PolarHBondContact O-N 3.38Å; G4-S7 PolarHBondContact N-OG 2.99Å; G4-S7 WeakPolarHBondContact O-CA 3.32Å; G4-S7 WeakPolarHBondContact O-CB 3.48Å; G4-S7 PolarHBondContact O-N 2.79Å; G4-S7 PolarHBondContact O-OG 2.93Å; G4-F8 PolarHBondContact O-N 3.14Å; G4-F8 VanDerWaalsContact O-N 3.14Å |
| 5 | T | 92.4 | Very high | 91.1 | Very high | 122 Ų | 122 | 121.1 Ų | 121.1 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51 | -51.1 | -167.1 | -51.7 | 0 | 0 | 0 | 0 | 113.9 | S7 F8 | T5-S7 PolarHBondContact O-N 3.13Å; T5-F8 PolarHBondContact O-N 3.48Å; T5-F8 VanDerWaalsContact O-N 3.08Å |
| 6 | T | 90.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 118.8 Ų | 118.8 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.7 | -29.7 | 179.7 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | G4 | G4-T6 PolarHBondContact O-N 3.38Å |
| 7 | S | 91.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 115.8 Ų | 115.8 | 25% | 0.252 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.1 | -24.2 | 176.9 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | G4 T5 K10 | G4-S7 PolarHBondContact N-OG 2.99Å; G4-S7 WeakPolarHBondContact O-CA 3.32Å; G4-S7 WeakPolarHBondContact O-CB 3.48Å; G4-S7 PolarHBondContact O-N 2.79Å; G4-S7 PolarHBondContact O-OG 2.93Å; T5-S7 PolarHBondContact O-N 3.13Å; S7-K10 PolarHBondContact O-N 2.99Å |
| 8 | F | 93.7 | Very high | 92.2 | Very high | 109 Ų | 109 | 116.3 Ų | 116.3 | 48% | 0.478 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69 | -33.1 | -179.7 | -65.2 | -34.2 | 0 | 0 | 0 | 112.8 | G4 T5 K10 R11 | G4-F8 PolarHBondContact O-N 3.14Å; G4-F8 VanDerWaalsContact O-N 3.14Å; T5-F8 PolarHBondContact O-N 3.48Å; T5-F8 VanDerWaalsContact O-N 3.08Å; F8-K10 PolarHBondContact O-N 3.49Å; F8-R11 VanDerWaalsContact CE1-CZ 3.42Å; F8-R11 VanDerWaalsContact CE1-NH1 3.33Å; F8-R11 WeakPolarHBondContact O-CB 3.4Å; F8-R11 PolarHBondContact O-N 3.44Å; F8-R11 VanDerWaalsContact O-N 3.12Å |
| 9 | G | 92.3 | Very high | 92.5 | Very high | 72 Ų | 72 | 110.2 Ų | 110.2 | 74% | 0.742 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -25.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R11 | G9-R11 VanDerWaalsContact C-N 3.29Å; G9-R11 PolarHBondContact O-N 3.45Å |
| 10 | K | 93.3 | Very high | 92.7 | Very high | 167 Ų | 167 | 115.4 Ų | 115.4 | 73% | 0.726 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -1.2 | 179.4 | -56.5 | -175.4 | -179.6 | -175 | 0 | 113.8 | S7 F8 H12 | S7-K10 PolarHBondContact O-N 2.99Å; F8-K10 PolarHBondContact O-N 3.49Å; K10-H12 PolarHBondContact O-CD2 3.13Å; K10-H12 PolarHBondContact O-N 3.28Å |
| 11 | R | 93.7 | Very high | 92.9 | Very high | 164 Ų | 164 | 114.3 Ų | 114.3 | 62% | 0.619 | 58% | 0.576 | S | S | * | * | trans | -90.6 | 59 | -171.4 | -62 | -176.6 | 175.8 | -174.7 | -1.2 | 114 | F8 G9 | F8-R11 VanDerWaalsContact CE1-CZ 3.42Å; F8-R11 VanDerWaalsContact CE1-NH1 3.33Å; F8-R11 WeakPolarHBondContact O-CB 3.4Å; F8-R11 PolarHBondContact O-N 3.44Å; F8-R11 VanDerWaalsContact O-N 3.12Å; G9-R11 VanDerWaalsContact C-N 3.29Å; G9-R11 PolarHBondContact O-N 3.45Å | ||
| 12 | H | 93.9 | Very high | 93.9 | Very high | 133 Ų | 133 | 104.5 Ų | 104.5 | 62% | 0.616 | 53% | 0.531 | S | S | * | . | trans | -89.6 | -26.9 | 178.7 | 53.3 | 83 | 0 | 0 | 0 | 114.1 | K10 | K10-H12 PolarHBondContact O-CD2 3.13Å; K10-H12 PolarHBondContact O-N 3.28Å | ||
| 13 | N | 94.9 | Very high | 94.4 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | trans | -72.1 | 134.9 | -179.4 | -64.3 | -31.9 | 0 | 0 | 0 | 112.2 | ||||
| 14 | K | 95.3 | Very high | 94.7 | Very high | 149 Ų | 149 | 96.6 Ų | 96.6 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | trans | -100.8 | 126.6 | 179.9 | -53.1 | -51.6 | 177.3 | -155.8 | 0 | 110.6 | I29 | K14-I29 WeakPolarHBondContact O-CD1 3.48Š| ||
| 15 | S | 97.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 104 Ų | 104 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -81.5 | -29.1 | 175.2 | -43.3 | 0 | 0 | 0 | 0 | 112.5 | H28 I29 | S15-H28 CarbonylContact O-C 3.45Å; S15-H28 WeakPolarHBondContact O-CA 3.34Å; S15-I29 PolarHBondContact O-N 2.81Å |
| 16 | H | 97.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 39% | 0.394 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.9 | -173.5 | -62.1 | 97.1 | 0 | 0 | 0 | 112.5 | Y27 H28 | H16-Y27 CarbonylContact C-O 3.56Å; H16-Y27 WeakPolarHBondContact CA-O 3.43Å; H16-H28 AromaticContact NE2-CD2 3.93Å |
| 17 | T | 97.4 | Very high | 95.8 | Very high | 67 Ų | 67 | 96.5 Ų | 96.5 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -179.6 | 168.6 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | K25 S26 Y27 I29 | T17-K25 CarbonylContact O-C 3.5Å; T17-K25 WeakPolarHBondContact O-CA 3.46Å; T17-S26 PolarHBondContact O-N 3.48Å; T17-Y27 HydrophobicContact CG2-CD1 3.63Å; T17-Y27 HydrophobicContact CG2-CG 4.36Å; T17-Y27 PolarHBondContact N-O 3.23Å; T17-Y27 WeakPolarHBondContact O-CB 3.4Å; T17-Y27 PolarHBondContact O-N 3.17Å; T17-I29 HydrophobicContact CG2-CD1 4.33Å; T17-I29 HydrophobicContact CG2-CG1 3.81Å |
| 18 | Q | 97.9 | Very high | 96.1 | Very high | 126 Ų | 126 | 96.2 Ų | 96.2 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129 | -179.9 | -166.3 | 169.4 | 23.9 | 0 | 0 | 111.4 | G23 | Q18-G23 WeakPolarHBondContact CG-O 3.43Å; Q18-G23 PolarHBondContact NE2-O 3.14Å |
| 19 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 94 Ų | 94 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -82.9 | 123.4 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | R21 C22 G23 R24 C34 | C19-R21 PolarHBondContact O-N 3.37Å; C19-R21 PolarHBondContact SG-N 3.16Å; C19-C22 PolarHBondContact O-N 3.32Å; C19-G23 WeakPolarHBondContact O-CA 3.24Å; C19-G23 PolarHBondContact O-N 2.88Å; C19-R24 PolarHBondContact N-O 2.89Å; C19-C34 HydrophobicContact CB-CB 4.3Å; C19-C34 VanDerWaalsContact CB-SG 3.55Å; C19-C34 PolarHBondContact SG-SG 2.96Å | ||
| 20 | R | 96.4 | Very high | 96.5 | Very high | 213 Ų | 213 | 98.3 Ų | 98.3 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34 | 177 | -63.4 | -168.1 | -71.8 | -165.5 | -2.7 | 114.5 | Y39 | R20-Y39 PolarHBondContact NH2-OH 3.14Š|
| 21 | R | 96.6 | Very high | 96.7 | Very high | 94 Ų | 94 | 97.4 Ų | 97.4 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -44.4 | -178 | -173.1 | -175.2 | -66.5 | 168.4 | -3.4 | 113.6 | C19 Y39 S41 | C19-R21 PolarHBondContact O-N 3.37Å; C19-R21 PolarHBondContact SG-N 3.16Å; R21-Y39 HydrophobicContact CB-CD2 4.41Å; R21-S41 PolarHBondContact NH1-O 3.05Å; R21-S41 PolarHBondContact NH2-O 3.08Å |
| 22 | C | 96 | Very high | 96.9 | Very high | 36 Ų | 36 | 95.2 Ų | 95.2 | 24% | 0.243 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -1.3 | -169.8 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | C19 R24 S36 C37 | C19-C22 PolarHBondContact O-N 3.32Å; C22-R24 PolarHBondContact O-N 3.29Å; C22-S36 PolarHBondContact SG-OG 3.5Å; C22-S36 VanDerWaalsContact SG-OG 3.38Å; C22-C37 HydrophobicContact CB-CB 3.89Å; C22-C37 VanDerWaalsContact SG-SG 3.68Å |
| 23 | G | 96.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 91.8 Ų | 91.8 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | trans | 70.4 | -7.8 | 178 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q18 C19 | Q18-G23 WeakPolarHBondContact CG-O 3.43Å; Q18-G23 PolarHBondContact NE2-O 3.14Å; C19-G23 WeakPolarHBondContact O-CA 3.24Å; C19-G23 PolarHBondContact O-N 2.88Å | ||
| 24 | R | 96.2 | Very high | 97.2 | Very high | 98 Ų | 98 | 85.6 Ų | 85.6 | 37% | 0.37 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -82.7 | 143.7 | -179 | -62.9 | -173.2 | 176.8 | 98.1 | -0 | 111.9 | C19 C22 S26 | C19-R24 PolarHBondContact N-O 2.89Å; C22-R24 PolarHBondContact O-N 3.29Å; R24-S26 PolarHBondContact O-N 2.97Å; R24-S26 PolarHBondContact O-OG 3.19Å |
| 25 | K | 97.7 | Very high | 97.3 | Very high | 184 Ų | 184 | 81.4 Ų | 81.4 | 80% | 0.8 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 77.4 | 170 | -69.2 | -175.4 | 179.8 | -179.8 | 0 | 111 | T17 | T17-K25 CarbonylContact O-C 3.5Å; T17-K25 WeakPolarHBondContact O-CA 3.46Å |
| 26 | S | 97.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 78.7 Ų | 78.7 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 4 | -168.8 | 53.4 | 0 | 0 | 0 | 0 | 113 | T17 R24 H28 C34 S35 S36 | T17-S26 PolarHBondContact O-N 3.48Å; R24-S26 PolarHBondContact O-N 2.97Å; R24-S26 PolarHBondContact O-OG 3.19Å; S26-H28 PolarHBondContact O-N 2.82Å; S26-C34 CarbonylContact O-C 3.6Å; S26-C34 WeakPolarHBondContact O-CA 3.39Å; S26-C34 PolarHBondContact OG-SG 2.94Å; S26-C34 VanDerWaalsContact OG-SG 3.33Å; S26-S35 WeakPolarHBondContact CB-OG 3.31Å; S26-S35 PolarHBondContact O-N 3.26Å; S26-S35 PolarHBondContact O-OG 3.07Å; S26-S35 VanDerWaalsContact O-OG 3.09Å; S26-S36 WeakPolarHBondContact OG-CB 3.46Å |
| 27 | Y | 98.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 74.7 Ų | 74.7 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.8 | 173.5 | -175.9 | -105.7 | 0 | 0 | 0 | 109.6 | H16 T17 I29 K32 C34 Y39 | H16-Y27 CarbonylContact C-O 3.56Å; H16-Y27 WeakPolarHBondContact CA-O 3.43Å; T17-Y27 HydrophobicContact CG2-CD1 3.63Å; T17-Y27 HydrophobicContact CG2-CG 4.36Å; T17-Y27 PolarHBondContact N-O 3.23Å; T17-Y27 WeakPolarHBondContact O-CB 3.4Å; T17-Y27 PolarHBondContact O-N 3.17Å; Y27-I29 PolarHBondContact O-N 3.16Å; Y27-K32 VanDerWaalsContact CE2-C 3.49Å; Y27-K32 WeakPolarHBondContact CE2-O 3.46Å; Y27-K32 WeakPolarHBondContact OH-CA 3.22Å; Y27-K32 PolarHBondContact OH-O 3.48Å; Y27-C34 HydrophobicContact CD2-CB 4.23Å; Y27-Y39 AromaticContact CD2-CD1 3.92Å; Y27-Y39 HydrophobicContact CD2-CD1 3.92Å; Y27-Y39 HydrophobicContact CD2-CE1 4.49Å; Y27-Y39 AromaticContact CE2-CD1 3.66Å; Y27-Y39 HydrophobicContact CE2-CD1 3.66Å; Y27-Y39 AromaticContact CE2-CE1 3.92Å; Y27-Y39 HydrophobicContact CE2-CE1 3.92Å |
| 28 | H | 98.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.4 | -179.9 | -166.8 | -56.2 | 0 | 0 | 0 | 109.9 | S15 H16 S26 Q30 K31 K32 T33 | S15-H28 CarbonylContact O-C 3.45Å; S15-H28 WeakPolarHBondContact O-CA 3.34Å; H16-H28 AromaticContact NE2-CD2 3.93Å; S26-H28 PolarHBondContact O-N 2.82Å; H28-Q30 PolarHBondContact ND1-N 3.25Å; H28-K31 HydrophobicContact CB-CB 4.19Å; H28-K31 PolarHBondContact ND1-N 3.21Å; H28-K32 WeakPolarHBondContact O-CA 3.38Å; H28-K32 PolarHBondContact O-N 3.36Å; H28-T33 VanDerWaalsContact CB-O 3.28Å; H28-T33 WeakPolarHBondContact CB-O 3.44Å; H28-T33 PolarHBondContact N-O 3.11Å; H28-T33 PolarHBondContact O-N 3.24Å |
| 29 | I | 97.2 | Very high | 97.2 | Very high | 64 Ų | 64 | 68.5 Ų | 68.5 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -42.8 | -169.6 | -67.7 | 160.5 | 0 | 0 | 0 | 112 | K14 S15 T17 Y27 K32 | K14-I29 WeakPolarHBondContact O-CD1 3.48Å; S15-I29 PolarHBondContact O-N 2.81Å; T17-I29 HydrophobicContact CG2-CD1 4.33Å; T17-I29 HydrophobicContact CG2-CG1 3.81Å; Y27-I29 PolarHBondContact O-N 3.16Å; I29-K32 VanDerWaalsContact O-CD 3.24Å; I29-K32 WeakPolarHBondContact O-CD 3.48Å; I29-K32 WeakPolarHBondContact O-CE 3.08Å; I29-K32 PolarHBondContact O-NZ 2.98Å |
| 30 | Q | 97.4 | Very high | 97.2 | Very high | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -53.1 | 179.7 | -60.5 | 169.8 | -3.5 | 0 | 0 | 111.8 | H28 K32 | H28-Q30 PolarHBondContact ND1-N 3.25Å; Q30-K32 PolarHBondContact O-N 3.49Å |
| 31 | K | 97.6 | Very high | 97.2 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8.8 | -179.6 | -60.5 | -174.6 | 180 | -171.8 | 0 | 114.6 | H28 T33 | H28-K31 HydrophobicContact CB-CB 4.19Å; H28-K31 PolarHBondContact ND1-N 3.21Å; K31-T33 WeakPolarHBondContact O-CG2 3.47Å; K31-T33 PolarHBondContact O-N 3.39Å; K31-T33 VanDerWaalsContact O-N 3.09Å |
| 32 | K | 97 | Very high | 97.2 | Very high | 119 Ų | 119 | 64.9 Ų | 64.9 | 52% | 0.517 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 30.8 | -176.5 | -53 | -62.7 | 175.8 | -165.6 | 0 | 113.6 | Y27 H28 I29 Q30 P40 | Y27-K32 VanDerWaalsContact CE2-C 3.49Å; Y27-K32 WeakPolarHBondContact CE2-O 3.46Å; Y27-K32 WeakPolarHBondContact OH-CA 3.22Å; Y27-K32 PolarHBondContact OH-O 3.48Å; H28-K32 WeakPolarHBondContact O-CA 3.38Å; H28-K32 PolarHBondContact O-N 3.36Å; I29-K32 VanDerWaalsContact O-CD 3.24Å; I29-K32 WeakPolarHBondContact O-CD 3.48Å; I29-K32 WeakPolarHBondContact O-CE 3.08Å; I29-K32 PolarHBondContact O-NZ 2.98Å; Q30-K32 PolarHBondContact O-N 3.49Å; K32-P40 WeakPolarHBondContact O-CD 3.49Å |
| 33 | T | 98 | Very high | 97.2 | Very high | 60 Ų | 60 | 73.7 Ų | 73.7 | 37% | 0.368 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 139 | -175.6 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | H28 K31 S35 Y39 | H28-T33 VanDerWaalsContact CB-O 3.28Å; H28-T33 WeakPolarHBondContact CB-O 3.44Å; H28-T33 PolarHBondContact N-O 3.11Å; H28-T33 PolarHBondContact O-N 3.24Å; K31-T33 WeakPolarHBondContact O-CG2 3.47Å; K31-T33 PolarHBondContact O-N 3.39Å; K31-T33 VanDerWaalsContact O-N 3.09Å; T33-S35 PolarHBondContact O-N 2.97Å; T33-Y39 CarbonylContact C-O 3.39Å; T33-Y39 WeakPolarHBondContact CA-O 3.17Å |
| 34 | C | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.9 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | C19 S26 Y27 S36 C37 G38 Y39 | C19-C34 HydrophobicContact CB-CB 4.3Å; C19-C34 VanDerWaalsContact CB-SG 3.55Å; C19-C34 PolarHBondContact SG-SG 2.96Å; S26-C34 CarbonylContact O-C 3.6Å; S26-C34 WeakPolarHBondContact O-CA 3.39Å; S26-C34 PolarHBondContact OG-SG 2.94Å; S26-C34 VanDerWaalsContact OG-SG 3.33Å; Y27-C34 HydrophobicContact CD2-CB 4.23Å; C34-S36 PolarHBondContact O-N 3.08Å; C34-S36 VanDerWaalsContact O-N 3.12Å; C34-C37 PolarHBondContact SG-N 3.24Å; C34-C37 VanDerWaalsContact SG-N 3.38Å; C34-C37 PolarHBondContact SG-SG 3.13Å; C34-G38 WeakPolarHBondContact O-CA 3.31Å; C34-G38 PolarHBondContact O-N 3.22Å; C34-Y39 WeakPolarHBondContact CB-O 3.33Å; C34-Y39 PolarHBondContact N-O 3.26Å |
| 35 | S | 96.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 77.5 Ų | 77.5 | 43% | 0.427 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | S26 T33 R45 | S26-S35 WeakPolarHBondContact CB-OG 3.31Å; S26-S35 PolarHBondContact O-N 3.26Å; S26-S35 PolarHBondContact O-OG 3.07Å; S26-S35 VanDerWaalsContact O-OG 3.09Å; T33-S35 PolarHBondContact O-N 2.97Å; S35-R45 PolarHBondContact O-NE 3.29Å; S35-R45 PolarHBondContact O-NH1 2.76Å; S35-R45 PolarHBondContact O-NH2 2.7Å |
| 36 | S | 96.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 75.7 Ų | 75.7 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -68.4 | 176.6 | 163.4 | 0 | 0 | 0 | 0 | 110.9 | C22 S26 C34 R45 R57 | C22-S36 PolarHBondContact SG-OG 3.5Å; C22-S36 VanDerWaalsContact SG-OG 3.38Å; S26-S36 WeakPolarHBondContact OG-CB 3.46Å; C34-S36 PolarHBondContact O-N 3.08Å; C34-S36 VanDerWaalsContact O-N 3.12Å; S36-R45 PolarHBondContact O-NE 3.03Å; S36-R45 PolarHBondContact O-NH2 3.28Å; S36-R57 PolarHBondContact O-NH1 3.09Å; S36-R57 PolarHBondContact OG-NH1 3.04Å; S36-R57 PolarHBondContact OG-NH2 3.33Å |
| 37 | C | 96.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.007 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -5.5 | -168.2 | 70.2 | 0 | 0 | 0 | 0 | 115.3 | C22 C34 L44 R45 | C22-C37 HydrophobicContact CB-CB 3.89Å; C22-C37 VanDerWaalsContact SG-SG 3.68Å; C34-C37 PolarHBondContact SG-N 3.24Å; C34-C37 VanDerWaalsContact SG-N 3.38Å; C34-C37 PolarHBondContact SG-SG 3.13Å; C37-L44 HydrophobicContact CB-CD2 4.08Å; C37-R45 PolarHBondContact O-N 2.73Å |
| 38 | G | 97.1 | Very high | 97 | Very high | 13 Ų | 13 | 83.7 Ų | 83.7 | 13% | 0.134 | 42% | 0.419 | C | S | . | . | trans | 91.1 | -10 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | C34 S41 | C34-G38 WeakPolarHBondContact O-CA 3.31Å; C34-G38 PolarHBondContact O-N 3.22Å; G38-S41 WeakPolarHBondContact CA-OG 3.34Å; G38-S41 VanDerWaalsContact O-CB 3.31Å; G38-S41 WeakPolarHBondContact O-CB 3.33Å; G38-S41 PolarHBondContact O-N 3.47Å; G38-S41 PolarHBondContact O-OG 2.9Å | ||
| 39 | Y | 97.6 | Very high | 97 | Very high | 51 Ų | 51 | 91.9 Ų | 91.9 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 126.4 | 178.5 | 178.5 | -97.7 | 0 | 0 | 0 | 111.7 | R20 R21 Y27 T33 C34 | R20-Y39 PolarHBondContact NH2-OH 3.14Å; R21-Y39 HydrophobicContact CB-CD2 4.41Å; Y27-Y39 AromaticContact CD2-CD1 3.92Å; Y27-Y39 HydrophobicContact CD2-CD1 3.92Å; Y27-Y39 HydrophobicContact CD2-CE1 4.49Å; Y27-Y39 AromaticContact CE2-CD1 3.66Å; Y27-Y39 HydrophobicContact CE2-CD1 3.66Å; Y27-Y39 AromaticContact CE2-CE1 3.92Å; Y27-Y39 HydrophobicContact CE2-CE1 3.92Å; T33-Y39 CarbonylContact C-O 3.39Å; T33-Y39 WeakPolarHBondContact CA-O 3.17Å; C34-Y39 WeakPolarHBondContact CB-O 3.33Å; C34-Y39 PolarHBondContact N-O 3.26Å |
| 40 | P | 97.2 | Very high | 96.9 | Very high | 78 Ų | 78 | 90.3 Ų | 90.3 | 51% | 0.506 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -85.5 | -3.3 | 19.3 | 33.4 | -38.8 | 0 | 0 | 0 | 116.7 | K32 A42 | K32-P40 WeakPolarHBondContact O-CD 3.49Å; P40-A42 PolarHBondContact O-N 2.9Å |
| 41 | S | 97.4 | Very high | 96.9 | Very high | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -48.9 | 135.2 | -177.3 | 69.1 | 0 | 0 | 0 | 0 | 112 | R21 G38 R43 | R21-S41 PolarHBondContact NH1-O 3.05Å; R21-S41 PolarHBondContact NH2-O 3.08Å; G38-S41 WeakPolarHBondContact CA-OG 3.34Å; G38-S41 VanDerWaalsContact O-CB 3.31Å; G38-S41 WeakPolarHBondContact O-CB 3.33Å; G38-S41 PolarHBondContact O-N 3.47Å; G38-S41 PolarHBondContact O-OG 2.9Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 PolarHBondContact OG-O 2.96Å |
| 42 | A | 96.9 | Very high | 96.9 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 82% | 0.818 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -59.2 | -46 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P40 | P40-A42 PolarHBondContact O-N 2.9Š|
| 43 | R | 96.1 | Very high | 96.8 | Very high | 221 Ų | 221 | 84.8 Ų | 84.8 | 83% | 0.834 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -78.5 | 145.7 | 177.2 | -56.9 | -175.5 | 85.8 | 178.6 | 6.5 | 111.3 | S41 | S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 2.85Å; S41-R43 PolarHBondContact OG-O 2.96Å |
| 44 | L | 95.7 | Very high | 96.7 | Very high | 123 Ų | 123 | 84.9 Ų | 84.9 | 64% | 0.644 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 127.7 | 170.9 | -74 | 168.5 | 0 | 0 | 0 | 110.1 | C37 K46 | C37-L44 HydrophobicContact CB-CD2 4.08Å; L44-K46 PolarHBondContact O-N 2.79Å |
| 45 | R | 96.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 93 Ų | 93 | 36% | 0.362 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63 | 117.4 | 174.5 | -168.4 | -172.5 | 71.6 | 118 | 12.9 | 110.3 | S35 S36 C37 Y47 | S35-R45 PolarHBondContact O-NE 3.29Å; S35-R45 PolarHBondContact O-NH1 2.76Å; S35-R45 PolarHBondContact O-NH2 2.7Å; S36-R45 PolarHBondContact O-NE 3.03Å; S36-R45 PolarHBondContact O-NH2 3.28Å; C37-R45 PolarHBondContact O-N 2.73Å; R45-Y47 HydrophobicContact CG-CD2 4.4Å; R45-Y47 HydrophobicContact CG-CE2 3.56Å; R45-Y47 VanDerWaalsContact NH1-CE2 3.31Å |
| 46 | K | 95.7 | Very high | 96.6 | Very high | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | trans | -136.4 | 134.7 | 177.1 | 176.2 | 178.8 | 172.8 | -175.5 | 0 | 108.3 | L44 K54 | L44-K46 PolarHBondContact O-N 2.79Å; K46-K54 HydrophobicContact CD-CG 4.45Å; K46-K54 HydrophobicContact CG-CG 4.17Å | ||
| 47 | Y | 96.8 | Very high | 96.4 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | trans | -120.5 | 144.1 | 172.5 | -63.1 | -75.6 | 0 | 0 | 0 | 110.5 | R45 W49 S50 K54 | R45-Y47 HydrophobicContact CG-CD2 4.4Å; R45-Y47 HydrophobicContact CG-CE2 3.56Å; R45-Y47 VanDerWaalsContact NH1-CE2 3.31Å; Y47-W49 VanDerWaalsContact CB-CE2 3.45Å; Y47-W49 VanDerWaalsContact CB-NE1 3.3Å; Y47-W49 HydrophobicContact CD1-CZ2 4.49Å; Y47-W49 AromaticContact CD1-NE1 3.7Å; Y47-W49 AromaticContact CD2-CZ2 3.81Å; Y47-W49 HydrophobicContact CD2-CZ2 3.81Å; Y47-W49 AromaticContact CG-CE2 3.74Å; Y47-W49 AromaticContact CG-CZ2 3.8Å; Y47-W49 HydrophobicContact CG-CZ2 3.8Å; Y47-W49 AromaticContact CG-NE1 3.55Å; Y47-S50 PolarHBondContact O-N 3.03Å; Y47-K54 WeakPolarHBondContact O-CE 3.08Å | ||
| 48 | N | 96.6 | Very high | 96.3 | Very high | 122 Ų | 122 | 104.3 Ų | 104.3 | 65% | 0.652 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -32.5 | -174.6 | -77.5 | -26.2 | 0 | 0 | 0 | 114 | S50 K54 | N48-S50 PolarHBondContact O-N 2.74Å; N48-K54 VanDerWaalsContact CA-NZ 3.32Å; N48-K54 WeakPolarHBondContact O-CE 3.35Å; N48-K54 PolarHBondContact O-NZ 3.28Å; N48-K54 PolarHBondContact OD1-NZ 3.38Å; N48-K54 VanDerWaalsContact OD1-NZ 3.17Å |
| 49 | W | 97.3 | Very high | 96.2 | Very high | 201 Ų | 201 | 108.9 Ų | 108.9 | 76% | 0.761 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.8 | 177.4 | 55.9 | -105.3 | 0 | 0 | 0 | 114.8 | Y47 | Y47-W49 VanDerWaalsContact CB-CE2 3.45Å; Y47-W49 VanDerWaalsContact CB-NE1 3.3Å; Y47-W49 HydrophobicContact CD1-CZ2 4.49Å; Y47-W49 AromaticContact CD1-NE1 3.7Å; Y47-W49 AromaticContact CD2-CZ2 3.81Å; Y47-W49 HydrophobicContact CD2-CZ2 3.81Å; Y47-W49 AromaticContact CG-CE2 3.74Å; Y47-W49 AromaticContact CG-CZ2 3.8Å; Y47-W49 HydrophobicContact CG-CZ2 3.8Å; Y47-W49 AromaticContact CG-NE1 3.55Å |
| 50 | S | 96.1 | Very high | 96 | Very high | 31 Ų | 31 | 108.3 Ų | 108.3 | 22% | 0.217 | 53% | 0.528 | C | S | . | . | trans | -115.6 | 77 | -177.6 | -159.3 | 0 | 0 | 0 | 0 | 113.1 | Y47 N48 K52 A53 K54 | Y47-S50 PolarHBondContact O-N 3.03Å; N48-S50 PolarHBondContact O-N 2.74Å; S50-K52 PolarHBondContact O-N 3.38Å; S50-A53 PolarHBondContact O-N 3.29Å; S50-A53 WeakPolarHBondContact OG-CB 3.36Å; S50-K54 WeakPolarHBondContact O-CG 3.36Å; S50-K54 PolarHBondContact O-N 3.38Å; S50-K54 VanDerWaalsContact O-N 3.11Å | ||
| 51 | E | 96.7 | Very high | 95.9 | Very high | 155 Ų | 155 | 108.9 Ų | 108.9 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.8 | -46 | -179.6 | -63.5 | -174.9 | 174 | 0 | 0 | 113 | A53 K54 R55 | E51-A53 PolarHBondContact O-N 3.12Å; E51-K54 WeakPolarHBondContact O-CB 3.09Å; E51-K54 PolarHBondContact O-N 2.92Å; E51-K54 VanDerWaalsContact O-N 3.08Å; E51-R55 PolarHBondContact O-N 3.18Å |
| 52 | K | 97.4 | Very high | 95.8 | Very high | 124 Ų | 124 | 108.7 Ų | 108.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.6 | -34.4 | 178.3 | -160.8 | 178.8 | -171.3 | 172.1 | 0 | 111.8 | S50 R56 | S50-K52 PolarHBondContact O-N 3.38Å; K52-R56 WeakPolarHBondContact O-CG 3.5Å; K52-R56 PolarHBondContact O-N 3.42Å |
| 53 | A | 96 | Very high | 95.7 | Very high | 33 Ų | 33 | 114.1 Ų | 114.1 | 27% | 0.273 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S50 E51 R56 | S50-A53 PolarHBondContact O-N 3.29Å; S50-A53 WeakPolarHBondContact OG-CB 3.36Å; E51-A53 PolarHBondContact O-N 3.12Å; A53-R56 PolarHBondContact O-N 2.72Å |
| 54 | K | 96 | Very high | 95.7 | Very high | 63 Ų | 63 | 107.6 Ų | 107.6 | 27% | 0.274 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.2 | -51.2 | 172.5 | -64.9 | 171.8 | -172.7 | 171.3 | 0 | 110.4 | K46 Y47 N48 S50 E51 R56 R57 T58 | K46-K54 HydrophobicContact CD-CG 4.45Å; K46-K54 HydrophobicContact CG-CG 4.17Å; Y47-K54 WeakPolarHBondContact O-CE 3.08Å; N48-K54 VanDerWaalsContact CA-NZ 3.32Å; N48-K54 WeakPolarHBondContact O-CE 3.35Å; N48-K54 PolarHBondContact O-NZ 3.28Å; N48-K54 PolarHBondContact OD1-NZ 3.38Å; N48-K54 VanDerWaalsContact OD1-NZ 3.17Å; S50-K54 WeakPolarHBondContact O-CG 3.36Å; S50-K54 PolarHBondContact O-N 3.38Å; S50-K54 VanDerWaalsContact O-N 3.11Å; E51-K54 WeakPolarHBondContact O-CB 3.09Å; E51-K54 PolarHBondContact O-N 2.92Å; E51-K54 VanDerWaalsContact O-N 3.08Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 3.45Å; K54-R57 PolarHBondContact O-N 3.45Å; K54-R57 VanDerWaalsContact O-N 3.07Å; K54-T58 PolarHBondContact O-N 3.5Å |
| 55 | R | 96.2 | Very high | 95.7 | Very high | 173 Ų | 173 | 108 Ų | 108 | 65% | 0.653 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.1 | -39.2 | -178.3 | -171.9 | 178.8 | 67.2 | 158.8 | 1.5 | 113.4 | E51 R57 T61 | E51-R55 PolarHBondContact O-N 3.18Å; R55-R57 PolarHBondContact O-N 2.81Å; R55-R57 VanDerWaalsContact O-N 3.13Å; R55-T61 VanDerWaalsContact O-CG2 3.31Å; R55-T61 WeakPolarHBondContact O-CG2 3.38Å |
| 56 | R | 94.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 109.9 Ų | 109.9 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -4.8 | 179.7 | -72 | 175.1 | -178.8 | 132.6 | -16.3 | 114.9 | K52 A53 K54 | K52-R56 WeakPolarHBondContact O-CG 3.5Å; K52-R56 PolarHBondContact O-N 3.42Å; A53-R56 PolarHBondContact O-N 2.72Å; K54-R56 VanDerWaalsContact C-N 3.31Å; K54-R56 PolarHBondContact O-N 3.45Å |
| 57 | R | 93 | Very high | 95.7 | Very high | 91 Ų | 91 | 107.3 Ų | 107.3 | 34% | 0.343 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | -5.5 | -172.8 | -56 | -179.4 | -171.5 | -165 | -0.9 | 114.2 | S36 K54 R55 | S36-R57 PolarHBondContact O-NH1 3.09Å; S36-R57 PolarHBondContact OG-NH1 3.04Å; S36-R57 PolarHBondContact OG-NH2 3.33Å; K54-R57 PolarHBondContact O-N 3.45Å; K54-R57 VanDerWaalsContact O-N 3.07Å; R55-R57 PolarHBondContact O-N 2.81Å; R55-R57 VanDerWaalsContact O-N 3.13Å |
| 58 | T | 94.6 | Very high | 95.6 | Very high | 80 Ų | 80 | 110.1 Ų | 110.1 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -62.7 | 155.6 | -176.4 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | K54 G60 T61 | K54-T58 PolarHBondContact O-N 3.5Å; T58-G60 PolarHBondContact O-N 2.84Å; T58-T61 HydrophobicContact CG2-CG2 4.2Å; T58-T61 PolarHBondContact O-N 3.01Å; T58-T61 PolarHBondContact O-OG1 3.06Å |
| 59 | T | 94.7 | Very high | 95.5 | Very high | 108 Ų | 108 | 111.7 Ų | 111.7 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 128.3 | 168.1 | -52.9 | 0 | 0 | 0 | 0 | 108.4 | L67 | T59-L67 HydrophobicContact CG2-CD1 3.59Š|
| 60 | G | 94.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 104.4 Ų | 104.4 | 41% | 0.412 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 123.8 | -35.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T58 G62 M64 | T58-G60 PolarHBondContact O-N 2.84Å; G60-G62 PolarHBondContact O-N 2.95Å; G60-M64 WeakPolarHBondContact CA-SD 3.28Å |
| 61 | T | 95.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 108.2 Ų | 108.2 | 55% | 0.546 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -81.5 | -14.7 | -173.1 | 63.1 | 0 | 0 | 0 | 0 | 114.2 | R55 T58 | R55-T61 VanDerWaalsContact O-CG2 3.31Å; R55-T61 WeakPolarHBondContact O-CG2 3.38Å; T58-T61 HydrophobicContact CG2-CG2 4.2Å; T58-T61 PolarHBondContact O-N 3.01Å; T58-T61 PolarHBondContact O-OG1 3.06Å |
| 62 | G | 94.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 107.8 Ų | 107.8 | 52% | 0.515 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -108.1 | -170.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G60 M64 | G60-G62 PolarHBondContact O-N 2.95Å; G62-M64 PolarHBondContact O-N 2.85Å; G62-M64 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 95.6 | Very high | 95 | Very high | 213 Ų | 213 | 107.2 Ų | 107.2 | 80% | 0.804 | 51% | 0.512 | S | S | * | . | trans | -61.4 | -21.7 | -175.9 | -65.4 | -179.3 | 176 | 173.6 | -4.3 | 115 | L65 | R63-L65 HydrophobicContact CB-CD2 4.02Å; R63-L65 HydrophobicContact CB-CG 3.85Å; R63-L65 PolarHBondContact O-N 2.85Å | ||
| 64 | M | 96.2 | Very high | 95 | Very high | 83 Ų | 83 | 111.8 Ų | 111.8 | 41% | 0.409 | 53% | 0.526 | S | S | . | . | trans | 45.6 | 39.7 | -177.5 | -67.2 | -168.2 | -74.1 | 0 | 0 | 113.3 | G60 G62 H66 L67 K68 | G60-M64 WeakPolarHBondContact CA-SD 3.28Å; G62-M64 PolarHBondContact O-N 2.85Å; G62-M64 VanDerWaalsContact O-N 3.08Å; M64-H66 VanDerWaalsContact C-N 3.3Å; M64-H66 PolarHBondContact O-N 3.47Å; M64-H66 VanDerWaalsContact O-N 3.16Å; M64-L67 HydrophobicContact CB-CB 4.41Å; M64-L67 PolarHBondContact O-N 3.41Å; M64-K68 VanDerWaalsContact O-CB 3.22Å; M64-K68 WeakPolarHBondContact O-CB 3.39Å; M64-K68 PolarHBondContact O-N 2.87Å | ||
| 65 | L | 95.4 | Very high | 94.9 | Very high | 131 Ų | 131 | 116.4 Ų | 116.4 | 69% | 0.686 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -51.8 | -46.6 | -168.4 | -68.7 | 173.6 | 0 | 0 | 0 | 112.9 | R63 | R63-L65 HydrophobicContact CB-CD2 4.02Å; R63-L65 HydrophobicContact CB-CG 3.85Å; R63-L65 PolarHBondContact O-N 2.85Å |
| 66 | H | 96.4 | Very high | 94.7 | Very high | 137 Ų | 137 | 113.5 Ų | 113.5 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.5 | -54.3 | 177.9 | -178.4 | 71.5 | 0 | 0 | 0 | 112 | M64 K68 R69 V70 | M64-H66 VanDerWaalsContact C-N 3.3Å; M64-H66 PolarHBondContact O-N 3.47Å; M64-H66 VanDerWaalsContact O-N 3.16Å; H66-K68 VanDerWaalsContact C-N 3.29Å; H66-K68 PolarHBondContact O-N 3.18Å; H66-R69 WeakPolarHBondContact O-CA 3.37Å; H66-R69 WeakPolarHBondContact O-CB 3.46Å; H66-R69 PolarHBondContact O-N 2.95Å; H66-V70 VanDerWaalsContact NE2-CG2 3.34Å; H66-V70 WeakPolarHBondContact NE2-CG2 3.39Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 3.22Å |
| 67 | L | 95.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 109.8 Ų | 109.8 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -34.8 | -175.7 | -66.6 | 176.4 | 0 | 0 | 0 | 113.3 | T59 M64 R69 V70 H71 | T59-L67 HydrophobicContact CG2-CD1 3.59Å; M64-L67 HydrophobicContact CB-CB 4.41Å; M64-L67 PolarHBondContact O-N 3.41Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.93Å; L67-V70 PolarHBondContact O-N 3.49Å; L67-H71 PolarHBondContact O-N 2.89Å |
| 68 | K | 94.6 | Very high | 94.5 | Very high | 160 Ų | 160 | 110 Ų | 110 | 70% | 0.696 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 173.4 | -176.6 | 177.9 | 179.4 | 178.7 | 0 | 111.4 | M64 H66 R72 | M64-K68 VanDerWaalsContact O-CB 3.22Å; M64-K68 WeakPolarHBondContact O-CB 3.39Å; M64-K68 PolarHBondContact O-N 2.87Å; H66-K68 VanDerWaalsContact C-N 3.29Å; H66-K68 PolarHBondContact O-N 3.18Å; K68-R72 PolarHBondContact O-N 2.84Å; K68-R72 VanDerWaalsContact O-N 3.16Å |
| 69 | R | 94.6 | Very high | 94.2 | Very high | 156 Ų | 156 | 116.3 Ų | 116.3 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68 | -40.9 | 175.7 | -175.1 | -178.1 | -67 | -178.2 | -2.2 | 111.3 | H66 L67 R72 R73 | H66-R69 WeakPolarHBondContact O-CA 3.37Å; H66-R69 WeakPolarHBondContact O-CB 3.46Å; H66-R69 PolarHBondContact O-N 2.95Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-R69 PolarHBondContact O-N 2.93Å; R69-R72 PolarHBondContact O-N 3.41Å; R69-R73 WeakPolarHBondContact O-CG 3.34Å; R69-R73 PolarHBondContact O-N 3.09Å |
| 70 | V | 95.3 | Very high | 93.8 | Very high | 48 Ų | 48 | 116.5 Ų | 116.5 | 29% | 0.291 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.1 | -48 | 175.4 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | H66 L67 R72 R73 F74 F78 | H66-V70 VanDerWaalsContact NE2-CG2 3.34Å; H66-V70 WeakPolarHBondContact NE2-CG2 3.39Å; H66-V70 WeakPolarHBondContact O-CG2 3.4Å; H66-V70 PolarHBondContact O-N 3.22Å; L67-V70 PolarHBondContact O-N 3.49Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 3.31Å; V70-R73 PolarHBondContact O-N 2.98Å; V70-R73 VanDerWaalsContact O-N 3.14Å; V70-F74 WeakPolarHBondContact O-CB 3.21Å; V70-F74 PolarHBondContact O-N 2.92Å; V70-F78 HydrophobicContact CG1-CE1 4.13Å; V70-F78 HydrophobicContact CG1-CZ 4.44Å |
| 71 | H | 95 | Very high | 93.4 | Very high | 110 Ų | 110 | 117.8 Ų | 117.8 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.8 | -41.1 | 177.7 | -170.6 | 59.2 | 0 | 0 | 0 | 112.7 | L67 F74 K75 | L67-H71 PolarHBondContact O-N 2.89Å; H71-F74 WeakPolarHBondContact O-CB 3.36Å; H71-F74 PolarHBondContact O-N 3.17Å; H71-K75 WeakPolarHBondContact NE2-CE 3.18Å; H71-K75 PolarHBondContact O-N 3.29Å; H71-K75 VanDerWaalsContact O-N 3.13Å |
| 72 | R | 93.4 | Very high | 92.9 | Very high | 147 Ų | 147 | 119.3 Ų | 119.3 | 56% | 0.555 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62 | -45 | 174.7 | -175.3 | -177.6 | 68.3 | -168.8 | 5.4 | 111.9 | K68 R69 V70 K75 Q76 | K68-R72 PolarHBondContact O-N 2.84Å; K68-R72 VanDerWaalsContact O-N 3.16Å; R69-R72 PolarHBondContact O-N 3.41Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 3.31Å; R72-K75 PolarHBondContact O-N 2.6Å; R72-Q76 PolarHBondContact O-N 3.14Å |
| 73 | R | 93.9 | Very high | 92.4 | Very high | 112 Ų | 112 | 122.7 Ų | 122.7 | 42% | 0.423 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -39.3 | 177 | -71.2 | -179.1 | 68.4 | -167.6 | -1.6 | 111.5 | R69 V70 K75 Q76 G77 F78 | R69-R73 WeakPolarHBondContact O-CG 3.34Å; R69-R73 PolarHBondContact O-N 3.09Å; V70-R73 PolarHBondContact O-N 2.98Å; V70-R73 VanDerWaalsContact O-N 3.14Å; R73-K75 PolarHBondContact O-N 2.93Å; R73-Q76 CarbonylContact O-C 3.45Å; R73-Q76 WeakPolarHBondContact O-CA 3.24Å; R73-Q76 PolarHBondContact O-N 3.25Å; R73-G77 PolarHBondContact O-N 3.24Å; R73-G77 VanDerWaalsContact O-N 3.14Å; R73-F78 HydrophobicContact CB-CD1 3.66Å; R73-F78 HydrophobicContact CB-CE1 4.06Å; R73-F78 WeakPolarHBondContact O-CA 3.39Å; R73-F78 PolarHBondContact O-N 3.17Å |
| 74 | F | 95.6 | Very high | 91.8 | Very high | 129 Ų | 129 | 121.9 Ų | 121.9 | 57% | 0.566 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.4 | -47.7 | 176.6 | 174 | -103.1 | 0 | 0 | 0 | 111.4 | V70 H71 Q76 G77 F78 | V70-F74 WeakPolarHBondContact O-CB 3.21Å; V70-F74 PolarHBondContact O-N 2.92Å; H71-F74 WeakPolarHBondContact O-CB 3.36Å; H71-F74 PolarHBondContact O-N 3.17Å; F74-Q76 PolarHBondContact O-N 3.08Å; F74-Q76 VanDerWaalsContact O-N 3.13Å; F74-G77 PolarHBondContact O-N 3.36Å; F74-F78 HydrophobicContact CB-CE1 4.06Å; F74-F78 HydrophobicContact CB-CE2 4.1Å; F74-F78 HydrophobicContact CB-CZ 3.63Å; F74-F78 AromaticContact CD2-CE2 3.58Å; F74-F78 HydrophobicContact CD2-CE2 3.58Å; F74-F78 AromaticContact CD2-CZ 3.79Å; F74-F78 HydrophobicContact CD2-CZ 3.79Å; F74-F78 HydrophobicContact CG-CE2 4.34Å; F74-F78 HydrophobicContact CG-CZ 4.21Å |
| 75 | K | 94.1 | Very high | 91.4 | Very high | 160 Ų | 160 | 123.6 Ų | 123.6 | 70% | 0.696 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.7 | -23.9 | 175 | -69.5 | -171.8 | 177.8 | -166.3 | 0 | 114.1 | H71 R72 R73 | H71-K75 WeakPolarHBondContact NE2-CE 3.18Å; H71-K75 PolarHBondContact O-N 3.29Å; H71-K75 VanDerWaalsContact O-N 3.13Å; R72-K75 PolarHBondContact O-N 2.6Å; R73-K75 PolarHBondContact O-N 2.93Å |
| 76 | Q | 90.5 | Very high | 91 | Very high | 111 Ų | 111 | 124.2 Ų | 124.2 | 52% | 0.519 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | 7.3 | 177.3 | -64.4 | 174.8 | -16.3 | 0 | 0 | 112.5 | R72 R73 F74 R79 | R72-Q76 PolarHBondContact O-N 3.14Å; R73-Q76 CarbonylContact O-C 3.45Å; R73-Q76 WeakPolarHBondContact O-CA 3.24Å; R73-Q76 PolarHBondContact O-N 3.25Å; F74-Q76 PolarHBondContact O-N 3.08Å; F74-Q76 VanDerWaalsContact O-N 3.13Å; Q76-R79 WeakPolarHBondContact O-CD 3.43Å; Q76-R79 VanDerWaalsContact O-CG 3.24Å; Q76-R79 WeakPolarHBondContact O-CG 3.39Å |
| 77 | G | 92 | Very high | 90.4 | Very high | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72 | 27.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R73 F74 R79 | R73-G77 PolarHBondContact O-N 3.24Å; R73-G77 VanDerWaalsContact O-N 3.14Å; F74-G77 PolarHBondContact O-N 3.36Å; G77-R79 PolarHBondContact O-N 3.12Å |
| 78 | F | 92.6 | Very high | 89.4 | Confident | 95 Ų | 95 | 131 Ų | 131 | 42% | 0.417 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 54 | 19.4 | -177.3 | -62.1 | -73.1 | 0 | 0 | 0 | 116 | V70 R73 F74 S80 | V70-F78 HydrophobicContact CG1-CE1 4.13Å; V70-F78 HydrophobicContact CG1-CZ 4.44Å; R73-F78 HydrophobicContact CB-CD1 3.66Å; R73-F78 HydrophobicContact CB-CE1 4.06Å; R73-F78 WeakPolarHBondContact O-CA 3.39Å; R73-F78 PolarHBondContact O-N 3.17Å; F74-F78 HydrophobicContact CB-CE1 4.06Å; F74-F78 HydrophobicContact CB-CE2 4.1Å; F74-F78 HydrophobicContact CB-CZ 3.63Å; F74-F78 AromaticContact CD2-CE2 3.58Å; F74-F78 HydrophobicContact CD2-CE2 3.58Å; F74-F78 AromaticContact CD2-CZ 3.79Å; F74-F78 HydrophobicContact CD2-CZ 3.79Å; F74-F78 HydrophobicContact CG-CE2 4.34Å; F74-F78 HydrophobicContact CG-CZ 4.21Å; F78-S80 PolarHBondContact O-N 3.4Å |
| 79 | R | 87.4 | Confident | 89.1 | Confident | 213 Ų | 213 | 129.6 Ų | 129.6 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -42.1 | 127.9 | 176.8 | -71.7 | 172 | -175.7 | -177.3 | 2.7 | 111.2 | Q76 G77 | Q76-R79 WeakPolarHBondContact O-CD 3.43Å; Q76-R79 VanDerWaalsContact O-CG 3.24Å; Q76-R79 WeakPolarHBondContact O-CG 3.39Å; G77-R79 PolarHBondContact O-N 3.12Å | ||
| 80 | S | 87.2 | Confident | 88.8 | Confident | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | trans | -112.8 | 159.2 | 172.9 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | F78 | F78-S80 PolarHBondContact O-N 3.4Š| ||
| 81 | G | 86 | Confident | 88.5 | Confident | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 100.4 | 168.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 82 | P | 84.6 | Confident | 88.1 | Confident | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -64.8 | 157.4 | 178.8 | 28.4 | -34.4 | 0 | 0 | 0 | 111.4 | ||
| 83 | P | 84 | Confident | 87.7 | Confident | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58 | 149.9 | 171.3 | 27.3 | -34.3 | 0 | 0 | 0 | 110.2 | ||
| 84 | K | 83.8 | Confident | 87.3 | Confident | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58 | 133.4 | 172.5 | -66.5 | -175 | 177.9 | -173.7 | 0 | 108.5 | ||
| 85 | P | 87.2 | Confident | 86.7 | Confident | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.4 | 177.7 | 25.6 | -33.6 | 0 | 0 | 0 | 110.3 | K87 | P85-K87 PolarHBondContact O-N 3.38Š|
| 86 | V | 88.1 | Confident | 86.2 | Confident | 145 Ų | 145 | 133.1 Ų | 133.1 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 126.6 | 172 | -172 | 0 | 0 | 0 | 0 | 107 | ||
| 87 | K | 82.4 | Confident | 85.8 | Confident | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 132.2 | 172.2 | -66.3 | -176.1 | 177.6 | -174.6 | 0 | 107.8 | P85 | P85-K87 PolarHBondContact O-N 3.38Š|
| 88 | A | 74.6 | Confident | 85.3 | Confident | 175 Ų | 175 | 141.9 Ų | 141.9 | 100% | 1.446 | 83% | 0.825 | S | S | * | * | trans | -58.3 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 88 of 88 residues in 51.5 ms
(Link to these results)