| 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 | 68.2 | Low | 90.3 | Very high | 239 Ų | 239 | 121.8 Ų | 121.8 | 100% | 1.177 | 66% | 0.655 | S | S | * | * | 0 | 86.4 | 0 | -83.4 | -79.6 | -87.4 | 0 | 0 | 109.5 | |||||
| 2 | T | 87.1 | Confident | 90.7 | Very high | 102 Ų | 102 | 129.1 Ų | 129.1 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | trans | -88.2 | 132.5 | -179.9 | 38 | 0 | 0 | 0 | 0 | 111 | S6 S7 | T2-S6 WeakPolarHBondContact CB-OG 3.23Å; T2-S6 PolarHBondContact O-OG 3.09Å; T2-S6 PolarHBondContact OG1-OG 3.28Å; T2-S7 PolarHBondContact O-OG 3.48Å | ||
| 3 | K | 90.4 | Very high | 91.1 | Very high | 203 Ų | 203 | 129.9 Ų | 129.9 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -81.9 | 161.4 | 172.3 | -63.4 | 176.6 | -177.6 | 173 | 0 | 109.6 | ||||
| 4 | G | 91.3 | Very high | 91.4 | Very high | 32 Ų | 32 | 130 Ų | 130 | 33% | 0.33 | 67% | 0.665 | S | S | . | * | S | Bend | trans | 85.8 | -120 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S6 S7 F8 | G4-S6 PolarHBondContact O-N 3.1Å; G4-S7 WeakPolarHBondContact O-CA 3.37Å; G4-S7 WeakPolarHBondContact O-CB 3.48Å; G4-S7 PolarHBondContact O-N 3.26Å; G4-F8 WeakPolarHBondContact O-CD2 3.39Å; G4-F8 PolarHBondContact O-N 3.44Å |
| 5 | T | 93.7 | Very high | 91.8 | Very high | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -50.4 | -52.7 | -169 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | S7 F8 | T5-S7 PolarHBondContact O-N 3.09Å; T5-F8 PolarHBondContact O-N 3.12Å |
| 6 | S | 93.1 | Very high | 92.2 | Very high | 57 Ų | 57 | 123.2 Ų | 123.2 | 40% | 0.399 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.9 | -28.1 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | T2 G4 | T2-S6 WeakPolarHBondContact CB-OG 3.23Å; T2-S6 PolarHBondContact O-OG 3.09Å; T2-S6 PolarHBondContact OG1-OG 3.28Å; G4-S6 PolarHBondContact O-N 3.1Å |
| 7 | S | 92.3 | Very high | 92.5 | Very high | 50 Ų | 50 | 118.7 Ų | 118.7 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -81.2 | -31.6 | 177.2 | -48.7 | 0 | 0 | 0 | 0 | 112.7 | T2 G4 T5 G9 K10 | T2-S7 PolarHBondContact O-OG 3.48Å; G4-S7 WeakPolarHBondContact O-CA 3.37Å; G4-S7 WeakPolarHBondContact O-CB 3.48Å; G4-S7 PolarHBondContact O-N 3.26Å; T5-S7 PolarHBondContact O-N 3.09Å; S7-G9 VanDerWaalsContact C-N 3.33Å; S7-G9 PolarHBondContact O-N 3.37Å; S7-K10 PolarHBondContact O-N 3.49Å |
| 8 | F | 93.9 | Very high | 92.8 | Very high | 115 Ų | 115 | 119.1 Ų | 119.1 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.8 | -36.7 | -179.1 | -72.9 | -68.4 | 0 | 0 | 0 | 112.4 | G4 T5 K10 R11 | G4-F8 WeakPolarHBondContact O-CD2 3.39Å; G4-F8 PolarHBondContact O-N 3.44Å; T5-F8 PolarHBondContact O-N 3.12Å; F8-K10 PolarHBondContact O-N 3.02Å; F8-K10 VanDerWaalsContact O-N 3.13Å; F8-R11 WeakPolarHBondContact O-CB 3.49Å; F8-R11 WeakPolarHBondContact O-CG 3.46Å; F8-R11 PolarHBondContact O-N 3.46Å; F8-R11 VanDerWaalsContact O-N 3.14Å |
| 9 | G | 94.4 | Very high | 93.1 | Very high | 75 Ų | 75 | 113 Ų | 113 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -23.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S7 R11 | S7-G9 VanDerWaalsContact C-N 3.33Å; S7-G9 PolarHBondContact O-N 3.37Å; G9-R11 PolarHBondContact O-N 3.47Å |
| 10 | K | 94.1 | Very high | 93.3 | Very high | 172 Ų | 172 | 117.8 Ų | 117.8 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.8 | -179.4 | -57.3 | -173.1 | 179.5 | -175.7 | 0 | 113.9 | S7 F8 R12 | S7-K10 PolarHBondContact O-N 3.49Å; F8-K10 PolarHBondContact O-N 3.02Å; F8-K10 VanDerWaalsContact O-N 3.13Å; K10-R12 VanDerWaalsContact C-N 3.29Å; K10-R12 PolarHBondContact O-N 3.23Å |
| 11 | R | 94.7 | Very high | 93.5 | Very high | 165 Ų | 165 | 116.3 Ų | 116.3 | 62% | 0.623 | 58% | 0.581 | S | S | * | * | trans | -81.5 | 57.6 | -172.5 | -62.8 | -176.1 | 179.5 | -166.8 | 0.9 | 114.5 | F8 G9 K14 | F8-R11 WeakPolarHBondContact O-CB 3.49Å; F8-R11 WeakPolarHBondContact O-CG 3.46Å; F8-R11 PolarHBondContact O-N 3.46Å; F8-R11 VanDerWaalsContact O-N 3.14Å; G9-R11 PolarHBondContact O-N 3.47Å; R11-K14 PolarHBondContact O-NZ 2.88Å | ||
| 12 | R | 95.6 | Very high | 94.8 | Very high | 209 Ų | 209 | 107.4 Ų | 107.4 | 79% | 0.789 | 54% | 0.542 | S | S | * | . | trans | -87.3 | -30.1 | 179.2 | 57.4 | -177.7 | 170.7 | 163.4 | -1.4 | 114.9 | K10 K14 | K10-R12 VanDerWaalsContact C-N 3.29Å; K10-R12 PolarHBondContact O-N 3.23Å; R12-K14 WeakPolarHBondContact O-CE 3.14Å | ||
| 13 | N | 95.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 105.1 Ų | 105.1 | 75% | 0.749 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -79.4 | 138.7 | 180 | -61.4 | -26.2 | 0 | 0 | 0 | 111.2 | ||
| 14 | K | 95.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 96.5 Ų | 96.5 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | trans | -106.9 | 119.5 | -178.8 | -51.5 | -53.8 | 174.5 | -166 | 0 | 110.1 | R11 R12 L29 | R11-K14 PolarHBondContact O-NZ 2.88Å; R12-K14 WeakPolarHBondContact O-CE 3.14Å; K14-L29 WeakPolarHBondContact O-CD1 3.32Å | ||
| 15 | T | 97.6 | Very high | 95.9 | Very high | 68 Ų | 68 | 101.9 Ų | 101.9 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -80.6 | -36.6 | 175.8 | -47.1 | 0 | 0 | 0 | 0 | 112 | H28 L29 | T15-H28 WeakPolarHBondContact CG2-CE1 3.31Å; T15-H28 WeakPolarHBondContact CG2-NE2 3.31Å; T15-H28 WeakPolarHBondContact O-CA 3.48Å; T15-L29 PolarHBondContact O-N 3.35Å |
| 16 | H | 98 | Very high | 96.1 | Very high | 83 Ų | 83 | 96.4 Ų | 96.4 | 38% | 0.384 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.2 | -174.4 | -62.7 | 96.9 | 0 | 0 | 0 | 112.7 | K25 Y27 H28 | H16-K25 VanDerWaalsContact O-CE 3.3Å; H16-K25 WeakPolarHBondContact O-CE 3.42Å; H16-Y27 CarbonylContact C-O 3.49Å; H16-Y27 WeakPolarHBondContact CA-O 3.36Å; H16-H28 AromaticContact NE2-CD2 3.87Å |
| 17 | T | 97.7 | Very high | 96.3 | Very high | 47 Ų | 47 | 95.9 Ų | 95.9 | 29% | 0.288 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 179.9 | 175.9 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | K25 A26 Y27 L29 | T17-K25 CarbonylContact O-C 3.36Å; T17-K25 VanDerWaalsContact O-CA 3.28Å; T17-K25 WeakPolarHBondContact O-CA 3.45Å; T17-A26 PolarHBondContact O-N 3.19Å; T17-Y27 PolarHBondContact N-O 3.45Å; T17-Y27 WeakPolarHBondContact O-CB 3.41Å; T17-Y27 PolarHBondContact O-N 3.39Å; T17-L29 HydrophobicContact CG2-CD1 3.75Å; T17-L29 HydrophobicContact CG2-CD2 3.71Å; T17-L29 HydrophobicContact CG2-CG 3.79Å |
| 18 | L | 98.3 | Very high | 96.6 | Very high | 125 Ų | 125 | 94.9 Ų | 94.9 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.9 | 178.7 | -68.4 | 174.5 | 0 | 0 | 0 | 111.2 | G23 K25 | L18-G23 WeakPolarHBondContact CD2-O 3.02Å; L18-K25 HydrophobicContact CD2-CB 4.22Å |
| 19 | C | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 93.3 Ų | 93.3 | 3% | 0.027 | 46% | 0.463 | C | S | . | . | trans | -85.1 | 125.8 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | R21 C22 G23 A24 C34 | C19-R21 VanDerWaalsContact C-N 3.25Å; C19-R21 PolarHBondContact O-N 2.99Å; C19-R21 PolarHBondContact SG-N 3.44Å; C19-C22 PolarHBondContact O-N 3.36Å; C19-G23 WeakPolarHBondContact O-CA 3.35Å; C19-G23 PolarHBondContact O-N 3.19Å; C19-A24 WeakPolarHBondContact CB-O 3.25Å; C19-A24 PolarHBondContact N-O 3.22Å; C19-C34 HydrophobicContact CB-CB 4.39Å; C19-C34 VanDerWaalsContact SG-SG 3.62Å | ||
| 20 | R | 96.9 | Very high | 96.9 | Very high | 209 Ų | 209 | 98 Ų | 98 | 79% | 0.789 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.4 | 177.7 | -64.7 | -168.4 | -73.4 | -151.1 | -1 | 114.6 | Y39 | R20-Y39 PolarHBondContact NH2-OH 2.78Š|
| 21 | R | 97 | Very high | 97.1 | Very high | 86 Ų | 86 | 97 Ų | 97 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -45 | -177.7 | -174.5 | -173.8 | -67 | 165.7 | -2.1 | 113.5 | C19 Y39 P40 E41 | C19-R21 VanDerWaalsContact C-N 3.25Å; C19-R21 PolarHBondContact O-N 2.99Å; C19-R21 PolarHBondContact SG-N 3.44Å; R21-Y39 HydrophobicContact CB-CD2 4.17Å; R21-Y39 HydrophobicContact CB-CG 4.44Å; R21-P40 PolarHBondContact NH2-O 3.34Å; R21-E41 PolarHBondContact NH1-O 3.19Å; R21-E41 PolarHBondContact NH2-O 2.92Å |
| 22 | C | 96.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 92.2 Ų | 92.2 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -4.9 | -170.6 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | C19 A24 C37 | C19-C22 PolarHBondContact O-N 3.36Å; C22-A24 PolarHBondContact O-N 2.81Å; C22-A24 VanDerWaalsContact O-N 3.08Å; C22-C37 HydrophobicContact CB-CB 3.85Å |
| 23 | G | 96.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 84.5 Ų | 84.5 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | trans | 70.5 | -5.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L18 C19 | L18-G23 WeakPolarHBondContact CD2-O 3.02Å; C19-G23 WeakPolarHBondContact O-CA 3.35Å; C19-G23 PolarHBondContact O-N 3.19Å | ||
| 24 | A | 96.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 78 Ų | 78 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -79.5 | 146.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | C19 C22 A26 K36 | C19-A24 WeakPolarHBondContact CB-O 3.25Å; C19-A24 PolarHBondContact N-O 3.22Å; C22-A24 PolarHBondContact O-N 2.81Å; C22-A24 VanDerWaalsContact O-N 3.08Å; A24-A26 HydrophobicContact CB-CB 4.36Å; A24-A26 PolarHBondContact O-N 3.15Å; A24-K36 HydrophobicContact CB-CB 4.46Å; A24-K36 HydrophobicContact CB-CD 3.88Å; A24-K36 HydrophobicContact CB-CG 4.42Å |
| 25 | K | 98.1 | Very high | 97.6 | Very high | 145 Ų | 145 | 73.9 Ų | 73.9 | 63% | 0.63 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 67.7 | 170.7 | -168.1 | 179.3 | 179.9 | 172.6 | 0 | 111.4 | H16 T17 L18 | H16-K25 VanDerWaalsContact O-CE 3.3Å; H16-K25 WeakPolarHBondContact O-CE 3.42Å; T17-K25 CarbonylContact O-C 3.36Å; T17-K25 VanDerWaalsContact O-CA 3.28Å; T17-K25 WeakPolarHBondContact O-CA 3.45Å; L18-K25 HydrophobicContact CD2-CB 4.22Å |
| 26 | A | 97.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 10.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T17 A24 H28 C34 G35 K36 | T17-A26 PolarHBondContact O-N 3.19Å; A24-A26 HydrophobicContact CB-CB 4.36Å; A24-A26 PolarHBondContact O-N 3.15Å; A26-H28 PolarHBondContact O-N 3.02Å; A26-C34 CarbonylContact O-C 3.54Å; A26-C34 WeakPolarHBondContact O-CA 3.4Å; A26-G35 PolarHBondContact O-N 3.19Å; A26-K36 HydrophobicContact CB-CB 3.74Å |
| 27 | Y | 98.4 | Very high | 97.5 | Very high | 46 Ų | 46 | 71.6 Ų | 71.6 | 18% | 0.18 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.3 | 175 | -174.4 | -108.6 | 0 | 0 | 0 | 110 | H16 T17 L29 S32 C34 Y39 | H16-Y27 CarbonylContact C-O 3.49Å; H16-Y27 WeakPolarHBondContact CA-O 3.36Å; T17-Y27 PolarHBondContact N-O 3.45Å; T17-Y27 WeakPolarHBondContact O-CB 3.41Å; T17-Y27 PolarHBondContact O-N 3.39Å; Y27-L29 HydrophobicContact CD1-CD2 4.35Å; Y27-L29 HydrophobicContact CE1-CD2 4.48Å; Y27-S32 VanDerWaalsContact CE2-C 3.47Å; Y27-S32 WeakPolarHBondContact CE2-O 3.3Å; Y27-S32 WeakPolarHBondContact OH-CA 3.47Å; Y27-S32 PolarHBondContact OH-O 3.41Å; Y27-C34 HydrophobicContact CD2-CB 4.19Å; Y27-Y39 AromaticContact CD2-CD1 3.96Å; Y27-Y39 HydrophobicContact CD2-CD1 3.96Å; Y27-Y39 AromaticContact CE2-CD1 3.65Å; Y27-Y39 HydrophobicContact CE2-CD1 3.65Å; Y27-Y39 AromaticContact CE2-CE1 3.99Å; Y27-Y39 HydrophobicContact CE2-CE1 3.99Å |
| 28 | H | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 13% | 0.13 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.1 | 179.2 | -168.4 | -50.5 | 0 | 0 | 0 | 109.5 | T15 H16 A26 Q30 K31 S32 S33 | T15-H28 WeakPolarHBondContact CG2-CE1 3.31Å; T15-H28 WeakPolarHBondContact CG2-NE2 3.31Å; T15-H28 WeakPolarHBondContact O-CA 3.48Å; H16-H28 AromaticContact NE2-CD2 3.87Å; A26-H28 PolarHBondContact O-N 3.02Å; H28-Q30 PolarHBondContact ND1-N 3.21Å; H28-K31 HydrophobicContact CB-CB 4.26Å; H28-K31 PolarHBondContact ND1-N 3.1Å; H28-S32 WeakPolarHBondContact O-CA 3.48Å; H28-S32 PolarHBondContact O-N 3.41Å; H28-S33 WeakPolarHBondContact CB-O 3.28Å; H28-S33 PolarHBondContact N-O 3.47Å; H28-S33 PolarHBondContact O-N 2.96Å |
| 29 | L | 97.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 66 Ų | 66 | 43% | 0.429 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -55.7 | -172.9 | -70.1 | 175.8 | 0 | 0 | 0 | 112.6 | K14 T15 T17 Y27 K31 S32 | K14-L29 WeakPolarHBondContact O-CD1 3.32Å; T15-L29 PolarHBondContact O-N 3.35Å; T17-L29 HydrophobicContact CG2-CD1 3.75Å; T17-L29 HydrophobicContact CG2-CD2 3.71Å; T17-L29 HydrophobicContact CG2-CG 3.79Å; Y27-L29 HydrophobicContact CD1-CD2 4.35Å; Y27-L29 HydrophobicContact CE1-CD2 4.48Å; L29-K31 PolarHBondContact O-N 2.58Å; L29-S32 PolarHBondContact O-N 3.01Å |
| 30 | Q | 97.5 | Very high | 97.4 | Very high | 175 Ų | 175 | 69.6 Ų | 69.6 | 82% | 0.818 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -38.2 | -175.9 | -65.2 | 170.7 | -14 | 0 | 0 | 113.4 | H28 S32 | H28-Q30 PolarHBondContact ND1-N 3.21Å; Q30-S32 PolarHBondContact O-N 3.18Å |
| 31 | K | 97.6 | Very high | 97.4 | Very high | 151 Ų | 151 | 65.3 Ų | 65.3 | 66% | 0.657 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.6 | 179 | -63.3 | -175.9 | 180 | -173.6 | 0 | 112.9 | H28 L29 S33 | H28-K31 HydrophobicContact CB-CB 4.26Å; H28-K31 PolarHBondContact ND1-N 3.1Å; L29-K31 PolarHBondContact O-N 2.58Å; K31-S33 WeakPolarHBondContact CB-OG 3.33Å; K31-S33 WeakPolarHBondContact O-CB 3.07Å; K31-S33 PolarHBondContact O-N 3.25Å; K31-S33 PolarHBondContact O-OG 2.95Å |
| 32 | S | 96.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 45% | 0.448 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44 | 34.5 | -178.3 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | Y27 H28 L29 Q30 P40 | Y27-S32 VanDerWaalsContact CE2-C 3.47Å; Y27-S32 WeakPolarHBondContact CE2-O 3.3Å; Y27-S32 WeakPolarHBondContact OH-CA 3.47Å; Y27-S32 PolarHBondContact OH-O 3.41Å; H28-S32 WeakPolarHBondContact O-CA 3.48Å; H28-S32 PolarHBondContact O-N 3.41Å; L29-S32 PolarHBondContact O-N 3.01Å; Q30-S32 PolarHBondContact O-N 3.18Å; S32-P40 WeakPolarHBondContact O-CD 3.17Å |
| 33 | S | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 79.2 Ų | 79.2 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 142.7 | -169.4 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | H28 K31 Y39 | H28-S33 WeakPolarHBondContact CB-O 3.28Å; H28-S33 PolarHBondContact N-O 3.47Å; H28-S33 PolarHBondContact O-N 2.96Å; K31-S33 WeakPolarHBondContact CB-OG 3.33Å; K31-S33 WeakPolarHBondContact O-CB 3.07Å; K31-S33 PolarHBondContact O-N 3.25Å; K31-S33 PolarHBondContact O-OG 2.95Å; S33-Y39 CarbonylContact C-O 3.43Å; S33-Y39 VanDerWaalsContact CA-O 3.29Å; S33-Y39 WeakPolarHBondContact CA-O 3.41Å |
| 34 | C | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 84.2 Ų | 84.2 | 3% | 0.034 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.4 | -179.7 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | C19 A26 Y27 K36 G38 Y39 | C19-C34 HydrophobicContact CB-CB 4.39Å; C19-C34 VanDerWaalsContact SG-SG 3.62Å; A26-C34 CarbonylContact O-C 3.54Å; A26-C34 WeakPolarHBondContact O-CA 3.4Å; Y27-C34 HydrophobicContact CD2-CB 4.19Å; C34-K36 PolarHBondContact O-N 3.41Å; C34-K36 PolarHBondContact SG-N 3.02Å; C34-K36 VanDerWaalsContact SG-N 3.4Å; C34-G38 WeakPolarHBondContact O-CA 3.43Å; C34-G38 PolarHBondContact O-N 3.24Å; C34-Y39 PolarHBondContact N-O 2.96Å |
| 35 | G | 97.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 87.8 Ų | 87.8 | 44% | 0.443 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 1.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115 | A26 R45 | A26-G35 PolarHBondContact O-N 3.19Å; G35-R45 PolarHBondContact O-NH1 3.4Å; G35-R45 PolarHBondContact O-NH2 3.24Å |
| 36 | K | 97.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 87.8 Ų | 87.8 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -65.2 | 171.9 | -177.6 | 131.1 | 174.4 | -175.6 | 0 | 111.6 | A24 A26 C34 R45 | A24-K36 HydrophobicContact CB-CB 4.46Å; A24-K36 HydrophobicContact CB-CD 3.88Å; A24-K36 HydrophobicContact CB-CG 4.42Å; A26-K36 HydrophobicContact CB-CB 3.74Å; C34-K36 PolarHBondContact O-N 3.41Å; C34-K36 PolarHBondContact SG-N 3.02Å; C34-K36 VanDerWaalsContact SG-N 3.4Å; K36-R45 PolarHBondContact O-NE 2.87Å; K36-R45 VanDerWaalsContact O-NE 3.1Å; K36-R45 PolarHBondContact O-NH2 2.75Å |
| 37 | C | 97.3 | Very high | 97.3 | Very high | 12 Ų | 12 | 91.9 Ų | 91.9 | 8% | 0.081 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -2.9 | -171.4 | 73.9 | 0 | 0 | 0 | 0 | 115.2 | C22 R45 | C22-C37 HydrophobicContact CB-CB 3.85Å; C37-R45 PolarHBondContact O-N 3.12Å |
| 38 | G | 97.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 96 Ų | 96 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | trans | 81.1 | 7.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | C34 E41 | C34-G38 WeakPolarHBondContact O-CA 3.43Å; C34-G38 PolarHBondContact O-N 3.24Å; G38-E41 WeakPolarHBondContact O-CB 3.5Å; G38-E41 WeakPolarHBondContact O-CG 3.22Å; G38-E41 PolarHBondContact O-N 3.25Å | ||
| 39 | Y | 97.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 104.3 Ų | 104.3 | 20% | 0.2 | 49% | 0.488 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.4 | 174.7 | 177.4 | -97.5 | 0 | 0 | 0 | 110.2 | R20 R21 Y27 S33 C34 | R20-Y39 PolarHBondContact NH2-OH 2.78Å; R21-Y39 HydrophobicContact CB-CD2 4.17Å; R21-Y39 HydrophobicContact CB-CG 4.44Å; Y27-Y39 AromaticContact CD2-CD1 3.96Å; Y27-Y39 HydrophobicContact CD2-CD1 3.96Å; Y27-Y39 AromaticContact CE2-CD1 3.65Å; Y27-Y39 HydrophobicContact CE2-CD1 3.65Å; Y27-Y39 AromaticContact CE2-CE1 3.99Å; Y27-Y39 HydrophobicContact CE2-CE1 3.99Å; S33-Y39 CarbonylContact C-O 3.43Å; S33-Y39 VanDerWaalsContact CA-O 3.29Å; S33-Y39 WeakPolarHBondContact CA-O 3.41Å; C34-Y39 PolarHBondContact N-O 2.96Å |
| 40 | P | 97 | Very high | 97.1 | Very high | 79 Ų | 79 | 102 Ų | 102 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -89 | -3.6 | 17.5 | 34.3 | -38.4 | 0 | 0 | 0 | 116.8 | R21 S32 K42 | R21-P40 PolarHBondContact NH2-O 3.34Å; S32-P40 WeakPolarHBondContact O-CD 3.17Å; P40-K42 PolarHBondContact O-N 3.08Å |
| 41 | E | 97.3 | Very high | 97.1 | Very high | 119 Ų | 119 | 97.1 Ų | 97.1 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -49.6 | 140.7 | -177.5 | -63.9 | 170.5 | -168.4 | 0 | 0 | 112.2 | R21 G38 R43 | R21-E41 PolarHBondContact NH1-O 3.19Å; R21-E41 PolarHBondContact NH2-O 2.92Å; G38-E41 WeakPolarHBondContact O-CB 3.5Å; G38-E41 WeakPolarHBondContact O-CG 3.22Å; G38-E41 PolarHBondContact O-N 3.25Å; E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 3.44Å |
| 42 | K | 96.8 | Very high | 97.1 | Very high | 211 Ų | 211 | 96.8 Ų | 96.8 | 92% | 0.917 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -61.2 | -43.5 | -177.9 | -63.8 | -178.9 | -178.6 | 178.8 | 0 | 111.5 | P40 | P40-K42 PolarHBondContact O-N 3.08Š|
| 43 | R | 96.4 | Very high | 97.1 | Very high | 219 Ų | 219 | 95.5 Ų | 95.5 | 83% | 0.826 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -80 | 143.6 | 178 | -67.5 | -176.8 | 175.1 | -176.2 | -0.8 | 110.4 | E41 | E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 3.44Å |
| 44 | K | 95.8 | Very high | 97.1 | Very high | 158 Ų | 158 | 96.2 Ų | 96.2 | 69% | 0.687 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 129.8 | 172.4 | -73.5 | -177.1 | -179.9 | 175.9 | 0 | 109.3 | K46 | K44-K46 PolarHBondContact O-N 3.47Š|
| 45 | R | 96.9 | Very high | 97 | Very high | 98 Ų | 98 | 104.3 Ų | 104.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 123.5 | 175.4 | -166.3 | -174.5 | 73.6 | 138.7 | 8.1 | 111 | G35 K36 C37 Y47 | G35-R45 PolarHBondContact O-NH1 3.4Å; G35-R45 PolarHBondContact O-NH2 3.24Å; K36-R45 PolarHBondContact O-NE 2.87Å; K36-R45 VanDerWaalsContact O-NE 3.1Å; K36-R45 PolarHBondContact O-NH2 2.75Å; C37-R45 PolarHBondContact O-N 3.12Å; R45-Y47 WeakPolarHBondContact CD-OH 3.36Å; R45-Y47 HydrophobicContact CG-CE2 3.87Å |
| 46 | K | 96.4 | Very high | 97 | Very high | 145 Ų | 145 | 109.7 Ų | 109.7 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | trans | -142 | 131.7 | 177.1 | -175.7 | -177.8 | 177.5 | -175.8 | 0 | 108.6 | K44 K54 | K44-K46 PolarHBondContact O-N 3.47Å; K46-K54 HydrophobicContact CG-CG 4.15Å | ||
| 47 | Y | 97.1 | Very high | 96.8 | Very high | 102 Ų | 102 | 110.1 Ų | 110.1 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | trans | -116.7 | 141.1 | 176.5 | -64.7 | -59.7 | 0 | 0 | 0 | 111.3 | R45 W49 S50 K54 | R45-Y47 WeakPolarHBondContact CD-OH 3.36Å; R45-Y47 HydrophobicContact CG-CE2 3.87Å; Y47-W49 AromaticContact CD1-NE1 3.91Å; Y47-W49 AromaticContact CD2-CZ2 3.69Å; Y47-W49 HydrophobicContact CD2-CZ2 3.69Å; Y47-W49 HydrophobicContact CE2-CZ2 4.35Å; Y47-W49 AromaticContact CG-CE2 3.84Å; Y47-W49 AromaticContact CG-CZ2 3.95Å; Y47-W49 HydrophobicContact CG-CZ2 3.95Å; Y47-W49 AromaticContact CG-NE1 3.6Å; Y47-S50 PolarHBondContact O-N 3.23Å; Y47-K54 WeakPolarHBondContact O-CE 3.35Å | ||
| 48 | N | 97.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -33.6 | -174.9 | -77.2 | -27.6 | 0 | 0 | 0 | 114.1 | S50 K54 | N48-S50 PolarHBondContact O-N 3.49Å; N48-K54 VanDerWaalsContact CA-NZ 3.34Å; N48-K54 PolarHBondContact O-NZ 2.84Å; N48-K54 WeakPolarHBondContact OD1-CE 3.29Å; N48-K54 PolarHBondContact OD1-NZ 3.49Å |
| 49 | W | 97.5 | Very high | 96.7 | Very high | 203 Ų | 203 | 118 Ų | 118 | 77% | 0.769 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.1 | 177 | 56.3 | -103.9 | 0 | 0 | 0 | 114 | Y47 | Y47-W49 AromaticContact CD1-NE1 3.91Å; Y47-W49 AromaticContact CD2-CZ2 3.69Å; Y47-W49 HydrophobicContact CD2-CZ2 3.69Å; Y47-W49 HydrophobicContact CE2-CZ2 4.35Å; Y47-W49 AromaticContact CG-CE2 3.84Å; Y47-W49 AromaticContact CG-CZ2 3.95Å; Y47-W49 HydrophobicContact CG-CZ2 3.95Å; Y47-W49 AromaticContact CG-NE1 3.6Å |
| 50 | S | 96.6 | Very high | 96.5 | Very high | 33 Ų | 33 | 117.7 Ų | 117.7 | 23% | 0.231 | 56% | 0.561 | C | S | . | * | trans | -105.5 | 74.1 | -178.2 | -159.3 | 0 | 0 | 0 | 0 | 113.2 | Y47 N48 K52 A53 K54 | Y47-S50 PolarHBondContact O-N 3.23Å; N48-S50 PolarHBondContact O-N 3.49Å; S50-K52 PolarHBondContact O-N 3.22Å; S50-A53 PolarHBondContact O-N 3.4Å; S50-A53 WeakPolarHBondContact OG-CB 3.48Å; S50-K54 PolarHBondContact O-N 3.46Å; S50-K54 VanDerWaalsContact O-N 3.12Å | ||
| 51 | A | 97.5 | Very high | 96.5 | Very high | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.8 | -45 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A53 K54 R55 | A51-A53 VanDerWaalsContact C-N 3.32Å; A51-A53 PolarHBondContact O-N 2.94Å; A51-K54 WeakPolarHBondContact O-CB 3.44Å; A51-K54 PolarHBondContact O-N 3.06Å; A51-R55 PolarHBondContact O-N 3.19Å |
| 52 | K | 97.8 | Very high | 96.4 | Very high | 144 Ų | 144 | 114.6 Ų | 114.6 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.2 | -36.2 | 178 | -68.4 | -177.9 | -179.2 | 175.6 | 0 | 112.3 | S50 R55 R56 | S50-K52 PolarHBondContact O-N 3.22Å; K52-R55 PolarHBondContact O-N 3.03Å; K52-R56 WeakPolarHBondContact O-CG 3.04Å; K52-R56 PolarHBondContact O-N 2.87Å; K52-R56 PolarHBondContact O-NH1 3.2Å |
| 53 | A | 96.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 113.2 Ų | 113.2 | 31% | 0.314 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S50 A51 R56 N57 | S50-A53 PolarHBondContact O-N 3.4Å; S50-A53 WeakPolarHBondContact OG-CB 3.48Å; A51-A53 VanDerWaalsContact C-N 3.32Å; A51-A53 PolarHBondContact O-N 2.94Å; A53-R56 PolarHBondContact O-N 3.5Å; A53-N57 PolarHBondContact O-ND2 3.12Å |
| 54 | K | 96.5 | Very high | 96.4 | Very high | 61 Ų | 61 | 105.2 Ų | 105.2 | 27% | 0.265 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.3 | -52.1 | 171.4 | -65.5 | 176.3 | -178.1 | 175.6 | 0 | 110.5 | K46 Y47 N48 S50 A51 R56 N57 T58 | K46-K54 HydrophobicContact CG-CG 4.15Å; Y47-K54 WeakPolarHBondContact O-CE 3.35Å; N48-K54 VanDerWaalsContact CA-NZ 3.34Å; N48-K54 PolarHBondContact O-NZ 2.84Å; N48-K54 WeakPolarHBondContact OD1-CE 3.29Å; N48-K54 PolarHBondContact OD1-NZ 3.49Å; S50-K54 PolarHBondContact O-N 3.46Å; S50-K54 VanDerWaalsContact O-N 3.12Å; A51-K54 WeakPolarHBondContact O-CB 3.44Å; A51-K54 PolarHBondContact O-N 3.06Å; K54-R56 VanDerWaalsContact C-N 3.27Å; K54-R56 PolarHBondContact O-N 2.86Å; K54-N57 PolarHBondContact O-N 3.38Å; K54-N57 VanDerWaalsContact O-N 3.12Å; K54-T58 WeakPolarHBondContact O-CB 3.41Å; K54-T58 PolarHBondContact O-N 3.24Å |
| 55 | R | 96.9 | Very high | 96.4 | Very high | 174 Ų | 174 | 106.2 Ų | 106.2 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -55.4 | -39.2 | -178.1 | -171.2 | 179.2 | 70.3 | 178.4 | 4.2 | 113 | A51 K52 N57 T61 | A51-R55 PolarHBondContact O-N 3.19Å; K52-R55 PolarHBondContact O-N 3.03Å; R55-N57 VanDerWaalsContact C-N 3.35Å; R55-N57 PolarHBondContact O-N 3.4Å; R55-T61 VanDerWaalsContact O-CG2 3.25Å; R55-T61 WeakPolarHBondContact O-CG2 3.34Å |
| 56 | R | 96.4 | Very high | 96.4 | Very high | 156 Ų | 156 | 108.3 Ų | 108.3 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.6 | -23.2 | -178.7 | -69.4 | -178 | -167.3 | 107 | -9.3 | 114.9 | K52 A53 K54 | K52-R56 WeakPolarHBondContact O-CG 3.04Å; K52-R56 PolarHBondContact O-N 2.87Å; K52-R56 PolarHBondContact O-NH1 3.2Å; A53-R56 PolarHBondContact O-N 3.5Å; K54-R56 VanDerWaalsContact C-N 3.27Å; K54-R56 PolarHBondContact O-N 2.86Å |
| 57 | N | 94.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 104.2 Ų | 104.2 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -126.4 | 5.8 | -173.6 | -55.9 | -68.5 | 0 | 0 | 0 | 113.8 | A53 K54 R55 | A53-N57 PolarHBondContact O-ND2 3.12Å; K54-N57 PolarHBondContact O-N 3.38Å; K54-N57 VanDerWaalsContact O-N 3.12Å; R55-N57 VanDerWaalsContact C-N 3.35Å; R55-N57 PolarHBondContact O-N 3.4Å |
| 58 | T | 95.7 | Very high | 96.4 | Very high | 73 Ų | 73 | 105.2 Ų | 105.2 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -68.8 | 156.4 | 179.7 | -166.7 | 0 | 0 | 0 | 0 | 111 | K54 G60 T61 | K54-T58 WeakPolarHBondContact O-CB 3.41Å; K54-T58 PolarHBondContact O-N 3.24Å; T58-G60 PolarHBondContact O-N 3.29Å; T58-T61 HydrophobicContact CG2-CG2 4.22Å; T58-T61 PolarHBondContact O-N 2.9Å; T58-T61 PolarHBondContact O-OG1 3.22Å |
| 59 | T | 95.2 | Very high | 96.4 | Very high | 111 Ų | 111 | 101.7 Ų | 101.7 | 68% | 0.681 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 131.3 | 169.6 | -52.7 | 0 | 0 | 0 | 0 | 109 | L64 L67 | T59-L64 HydrophobicContact CG2-CD2 3.96Å; T59-L67 HydrophobicContact CG2-CD1 3.96Å |
| 60 | G | 94.9 | Very high | 96.3 | Very high | 44 Ų | 44 | 94 Ų | 94 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.8 | -39.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T58 G62 | T58-G60 PolarHBondContact O-N 3.29Å; G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 2.81Å |
| 61 | T | 95.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -72.2 | -24.6 | -176 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | R55 T58 | R55-T61 VanDerWaalsContact O-CG2 3.25Å; R55-T61 WeakPolarHBondContact O-CG2 3.34Å; T58-T61 HydrophobicContact CG2-CG2 4.22Å; T58-T61 PolarHBondContact O-N 2.9Å; T58-T61 PolarHBondContact O-OG1 3.22Å |
| 62 | G | 95.1 | Very high | 96.3 | Very high | 48 Ų | 48 | 102.4 Ų | 102.4 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -89.5 | -166.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G60 L64 | G60-G62 VanDerWaalsContact C-N 3.33Å; G60-G62 PolarHBondContact O-N 2.81Å; G62-L64 PolarHBondContact O-N 2.94Å |
| 63 | R | 96.3 | Very high | 96.2 | Very high | 182 Ų | 182 | 99.7 Ų | 99.7 | 69% | 0.687 | 48% | 0.481 | S | S | * | . | trans | -64.9 | -25 | -176.3 | -65.7 | 180 | 175.3 | 173.5 | -3.1 | 114.3 | R65 K68 | R63-R65 HydrophobicContact CB-CG 3.97Å; R63-R65 PolarHBondContact O-N 3.13Å; R63-K68 WeakPolarHBondContact O-CE 3.48Å; R63-K68 PolarHBondContact O-NZ 3.48Å; R63-K68 VanDerWaalsContact O-NZ 3.1Å | ||
| 64 | L | 96.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 104.3 Ų | 104.3 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | trans | 48.9 | 37.3 | -176.7 | -69.1 | 176 | 0 | 0 | 0 | 113.6 | T59 G62 H66 L67 K68 | T59-L64 HydrophobicContact CG2-CD2 3.96Å; G62-L64 PolarHBondContact O-N 2.94Å; L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 2.82Å; L64-L67 HydrophobicContact CD2-CB 4.29Å; L64-L67 HydrophobicContact CD2-CD1 3.86Å; L64-L67 PolarHBondContact O-N 3.33Å; L64-K68 HydrophobicContact CB-CD 4.06Å; L64-K68 HydrophobicContact CB-CG 3.86Å; L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.4Å; L64-K68 VanDerWaalsContact O-CG 3.31Å; L64-K68 WeakPolarHBondContact O-CG 3.13Å; L64-K68 PolarHBondContact O-N 3.14Å | ||
| 65 | R | 96.6 | Very high | 96.2 | Very high | 180 Ų | 180 | 111.2 Ų | 111.2 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -51.4 | -49.6 | -172.3 | -70.7 | -177.5 | 173.9 | 172.8 | -6.5 | 112.9 | R63 | R63-R65 HydrophobicContact CB-CG 3.97Å; R63-R65 PolarHBondContact O-N 3.13Å |
| 66 | H | 97 | Very high | 96.1 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.1 | -53.9 | -179.5 | -178.2 | 68.4 | 0 | 0 | 0 | 112.1 | L64 K68 V69 V70 | L64-H66 VanDerWaalsContact C-N 3.34Å; L64-H66 PolarHBondContact O-N 2.82Å; H66-K68 VanDerWaalsContact C-N 3.31Å; H66-K68 PolarHBondContact O-N 2.97Å; H66-V69 WeakPolarHBondContact O-CB 3.34Å; H66-V69 PolarHBondContact O-N 3.44Å; H66-V70 WeakPolarHBondContact NE2-CG2 3.43Å; H66-V70 WeakPolarHBondContact O-CG2 3.37Å; H66-V70 PolarHBondContact O-N 2.81Å |
| 67 | L | 96.9 | Very high | 96 | Very high | 59 Ų | 59 | 103.1 Ų | 103.1 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | -175.4 | -70.6 | 177.3 | 0 | 0 | 0 | 113.4 | T59 L64 V69 V70 Y71 | T59-L67 HydrophobicContact CG2-CD1 3.96Å; L64-L67 HydrophobicContact CD2-CB 4.29Å; L64-L67 HydrophobicContact CD2-CD1 3.86Å; L64-L67 PolarHBondContact O-N 3.33Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.18Å; L67-V70 PolarHBondContact O-N 2.85Å; L67-Y71 HydrophobicContact CB-CD2 4.42Å; L67-Y71 HydrophobicContact CB-CE2 3.98Å; L67-Y71 WeakPolarHBondContact O-CD2 3.35Å; L67-Y71 PolarHBondContact O-N 3.4Å |
| 68 | K | 96.3 | Very high | 96.1 | Very high | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 174.6 | -77.6 | 173.1 | 174.1 | 171.8 | 0 | 112.2 | R63 L64 H66 R72 | R63-K68 WeakPolarHBondContact O-CE 3.48Å; R63-K68 PolarHBondContact O-NZ 3.48Å; R63-K68 VanDerWaalsContact O-NZ 3.1Å; L64-K68 HydrophobicContact CB-CD 4.06Å; L64-K68 HydrophobicContact CB-CG 3.86Å; L64-K68 VanDerWaalsContact O-CB 3.31Å; L64-K68 WeakPolarHBondContact O-CB 3.4Å; L64-K68 VanDerWaalsContact O-CG 3.31Å; L64-K68 WeakPolarHBondContact O-CG 3.13Å; L64-K68 PolarHBondContact O-N 3.14Å; H66-K68 VanDerWaalsContact C-N 3.31Å; H66-K68 PolarHBondContact O-N 2.97Å; K68-R72 PolarHBondContact O-N 2.73Å |
| 69 | V | 96.5 | Very high | 95.9 | Very high | 56 Ų | 56 | 108.7 Ų | 108.7 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 176.8 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | H66 L67 Y71 R72 R73 | H66-V69 WeakPolarHBondContact O-CB 3.34Å; H66-V69 PolarHBondContact O-N 3.44Å; L67-V69 VanDerWaalsContact C-N 3.31Å; L67-V69 PolarHBondContact O-N 3.18Å; V69-Y71 PolarHBondContact O-N 3.02Å; V69-R72 PolarHBondContact O-N 3.24Å; V69-R73 HydrophobicContact CG1-CG 4.28Å; V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.5Å |
| 70 | V | 96.8 | Very high | 95.8 | Very high | 41 Ų | 41 | 109.8 Ų | 109.8 | 25% | 0.248 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | H66 L67 R72 R73 F74 F78 | H66-V70 WeakPolarHBondContact NE2-CG2 3.43Å; H66-V70 WeakPolarHBondContact O-CG2 3.37Å; H66-V70 PolarHBondContact O-N 2.81Å; L67-V70 PolarHBondContact O-N 2.85Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 2.72Å; V70-R73 PolarHBondContact O-N 3.32Å; V70-F74 WeakPolarHBondContact O-CB 3.33Å; V70-F74 PolarHBondContact O-N 3.03Å; V70-F78 HydrophobicContact CG1-CE1 4.22Å |
| 71 | Y | 96.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 112 Ų | 112 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 178.3 | -66.5 | -49.1 | 0 | 0 | 0 | 113 | L67 V69 R75 | L67-Y71 HydrophobicContact CB-CD2 4.42Å; L67-Y71 HydrophobicContact CB-CE2 3.98Å; L67-Y71 WeakPolarHBondContact O-CD2 3.35Å; L67-Y71 PolarHBondContact O-N 3.4Å; V69-Y71 PolarHBondContact O-N 3.02Å; Y71-R75 WeakPolarHBondContact O-CG 3.17Å; Y71-R75 PolarHBondContact O-N 2.74Å |
| 72 | R | 96 | Very high | 95.2 | Very high | 152 Ų | 152 | 112.6 Ų | 112.6 | 57% | 0.574 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 173.1 | -178 | -178.3 | 65.2 | -160 | 1.6 | 111.3 | K68 V69 V70 R75 N76 | K68-R72 PolarHBondContact O-N 2.73Å; V69-R72 PolarHBondContact O-N 3.24Å; V70-R72 VanDerWaalsContact C-N 3.33Å; V70-R72 PolarHBondContact O-N 2.72Å; R72-R75 PolarHBondContact O-N 3.42Å; R72-N76 PolarHBondContact O-N 2.65Å |
| 73 | R | 95.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 116.5 Ų | 116.5 | 33% | 0.332 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -41.7 | 177.1 | -73 | -178.6 | 58.6 | -178.6 | -11.1 | 111.8 | V69 V70 R75 N76 G77 F78 E80 | V69-R73 HydrophobicContact CG1-CG 4.28Å; V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.5Å; V70-R73 PolarHBondContact O-N 3.32Å; R73-R75 PolarHBondContact O-N 3.47Å; R73-N76 CarbonylContact O-C 3.28Å; R73-N76 VanDerWaalsContact O-C 3.28Å; R73-N76 WeakPolarHBondContact O-CA 3.34Å; R73-N76 PolarHBondContact O-N 3.31Å; R73-G77 PolarHBondContact O-N 3.2Å; R73-G77 VanDerWaalsContact O-N 3.15Å; R73-F78 HydrophobicContact CB-CD1 3.88Å; R73-F78 HydrophobicContact CB-CE1 4.32Å; R73-F78 WeakPolarHBondContact O-CA 3.46Å; R73-F78 PolarHBondContact O-N 3.1Å; R73-E80 IonicContact CZ-OE1 3.1Å; R73-E80 IonicContact NH1-OE1 3.01Å; R73-E80 PolarHBondContact NH1-OE1 3.48Å; R73-E80 IonicContact NH2-OE1 2.58Å; R73-E80 PolarHBondContact NH2-OE1 3.24Å |
| 74 | F | 97.2 | Very high | 94.5 | Very high | 134 Ų | 134 | 113.7 Ų | 113.7 | 59% | 0.588 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -55.9 | -47.8 | 176.7 | 174.9 | -96.4 | 0 | 0 | 0 | 111.6 | V70 N76 G77 F78 | V70-F74 WeakPolarHBondContact O-CB 3.33Å; V70-F74 PolarHBondContact O-N 3.03Å; F74-N76 PolarHBondContact O-N 2.95Å; F74-G77 PolarHBondContact O-N 2.99Å; F74-F78 HydrophobicContact CB-CE1 4.09Å; F74-F78 HydrophobicContact CB-CE2 4.18Å; F74-F78 HydrophobicContact CB-CZ 3.71Å; F74-F78 AromaticContact CD2-CE2 3.52Å; F74-F78 HydrophobicContact CD2-CE2 3.52Å; F74-F78 AromaticContact CD2-CZ 3.63Å; F74-F78 HydrophobicContact CD2-CZ 3.63Å; F74-F78 HydrophobicContact CE2-CE2 4.39Å; F74-F78 HydrophobicContact CG-CE2 4.32Å; F74-F78 HydrophobicContact CG-CZ 4.17Å |
| 75 | R | 96.7 | Very high | 94.1 | Very high | 206 Ų | 206 | 119.8 Ų | 119.8 | 78% | 0.777 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.6 | -25.8 | 175.8 | -69.8 | 177.8 | -171.2 | 144.8 | 1.2 | 113.5 | Y71 R72 R73 | Y71-R75 WeakPolarHBondContact O-CG 3.17Å; Y71-R75 PolarHBondContact O-N 2.74Å; R72-R75 PolarHBondContact O-N 3.42Å; R73-R75 PolarHBondContact O-N 3.47Å |
| 76 | N | 94 | Very high | 93.7 | Very high | 103 Ų | 103 | 116.5 Ų | 116.5 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 15.6 | 176.7 | -63.2 | -14.4 | 0 | 0 | 0 | 112.3 | R72 R73 F74 F78 R79 | R72-N76 PolarHBondContact O-N 2.65Å; R73-N76 CarbonylContact O-C 3.28Å; R73-N76 VanDerWaalsContact O-C 3.28Å; R73-N76 WeakPolarHBondContact O-CA 3.34Å; R73-N76 PolarHBondContact O-N 3.31Å; F74-N76 PolarHBondContact O-N 2.95Å; N76-F78 VanDerWaalsContact C-N 3.33Å; N76-F78 PolarHBondContact O-N 3.3Å; N76-R79 VanDerWaalsContact O-CD 3.23Å; N76-R79 WeakPolarHBondContact O-CD 3.19Å; N76-R79 WeakPolarHBondContact O-CG 3.34Å; N76-R79 PolarHBondContact O-N 3.48Å |
| 77 | G | 95.3 | Very high | 93 | Very high | 57 Ų | 57 | 121.5 Ų | 121.5 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.2 | 27.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R73 F74 R79 | R73-G77 PolarHBondContact O-N 3.2Å; R73-G77 VanDerWaalsContact O-N 3.15Å; F74-G77 PolarHBondContact O-N 2.99Å; G77-R79 PolarHBondContact O-N 3.25Å |
| 78 | F | 95.4 | Very high | 92.2 | Very high | 98 Ų | 98 | 129.5 Ų | 129.5 | 43% | 0.43 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 52.3 | 23.5 | -175 | -61.1 | -75.7 | 0 | 0 | 0 | 115.2 | V70 R73 F74 N76 E80 | V70-F78 HydrophobicContact CG1-CE1 4.22Å; R73-F78 HydrophobicContact CB-CD1 3.88Å; R73-F78 HydrophobicContact CB-CE1 4.32Å; R73-F78 WeakPolarHBondContact O-CA 3.46Å; R73-F78 PolarHBondContact O-N 3.1Å; F74-F78 HydrophobicContact CB-CE1 4.09Å; F74-F78 HydrophobicContact CB-CE2 4.18Å; F74-F78 HydrophobicContact CB-CZ 3.71Å; F74-F78 AromaticContact CD2-CE2 3.52Å; F74-F78 HydrophobicContact CD2-CE2 3.52Å; F74-F78 AromaticContact CD2-CZ 3.63Å; F74-F78 HydrophobicContact CD2-CZ 3.63Å; F74-F78 HydrophobicContact CE2-CE2 4.39Å; F74-F78 HydrophobicContact CG-CE2 4.32Å; F74-F78 HydrophobicContact CG-CZ 4.17Å; N76-F78 VanDerWaalsContact C-N 3.33Å; N76-F78 PolarHBondContact O-N 3.3Å; F78-E80 PolarHBondContact O-N 3.42Å |
| 79 | R | 92.1 | Very high | 91.3 | Very high | 192 Ų | 192 | 127.9 Ų | 127.9 | 73% | 0.725 | 64% | 0.64 | S | S | * | * | trans | -52.1 | 132 | 178.5 | -66.6 | 169.9 | 89.5 | -179 | 8.2 | 111 | N76 G77 | N76-R79 VanDerWaalsContact O-CD 3.23Å; N76-R79 WeakPolarHBondContact O-CD 3.19Å; N76-R79 WeakPolarHBondContact O-CG 3.34Å; N76-R79 PolarHBondContact O-N 3.48Å; G77-R79 PolarHBondContact O-N 3.25Å | ||
| 80 | E | 92.9 | Very high | 90.1 | Very high | 135 Ų | 135 | 130.1 Ų | 130.1 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | trans | -130.6 | 164 | 177.9 | -74.9 | -174.6 | 158.5 | 0 | 0 | 109.6 | R73 F78 T82 | R73-E80 IonicContact CZ-OE1 3.1Å; R73-E80 IonicContact NH1-OE1 3.01Å; R73-E80 PolarHBondContact NH1-OE1 3.48Å; R73-E80 IonicContact NH2-OE1 2.58Å; R73-E80 PolarHBondContact NH2-OE1 3.24Å; F78-E80 PolarHBondContact O-N 3.42Å; E80-T82 PolarHBondContact O-N 3.31Å | ||
| 81 | G | 90.3 | Very high | 88.6 | Confident | 91 Ų | 91 | 134.8 Ų | 134.8 | 94% | 0.938 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 68.2 | 3.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 82 | T | 89.5 | Confident | 87.2 | Confident | 97 Ų | 97 | 132.8 Ų | 132.8 | 60% | 0.595 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -104 | 139.7 | 178.8 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | E80 | E80-T82 PolarHBondContact O-N 3.31Š|
| 83 | T | 87.9 | Confident | 85.7 | Confident | 129 Ų | 129 | 130.3 Ų | 130.3 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 143.8 | 170.4 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | K85 | T83-K85 PolarHBondContact O-N 3.02Š|
| 84 | P | 87 | Confident | 84.1 | Confident | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140.2 | 172.7 | -21.7 | 32.6 | 0 | 0 | 0 | 111.1 | ||
| 85 | K | 88.5 | Confident | 82.5 | Confident | 179 Ų | 179 | 130.9 Ų | 130.9 | 78% | 0.778 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.8 | 173.1 | -174.9 | 177 | 180 | 175.3 | 0 | 109 | T83 R87 | T83-K85 PolarHBondContact O-N 3.02Å; K85-R87 PolarHBondContact O-N 3.36Å |
| 86 | P | 88.5 | Confident | 81 | Confident | 110 Ų | 110 | 126.4 Ų | 126.4 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.1 | 178.2 | 24.8 | -33.9 | 0 | 0 | 0 | 110.2 | R88 | P86-R88 PolarHBondContact O-N 3.45Š|
| 87 | R | 83 | Confident | 79.2 | Confident | 248 Ų | 248 | 130.9 Ų | 130.9 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.2 | 175.7 | -62 | -179.3 | 87.9 | -172.4 | 5.2 | 108 | K85 | K85-R87 PolarHBondContact O-N 3.36Š|
| 88 | R | 80.5 | Confident | 78.4 | Confident | 226 Ų | 226 | 134.6 Ų | 134.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 136.2 | 168.4 | -66.9 | -173.3 | 174.8 | -157.7 | -2.4 | 108.2 | P86 A90 | P86-R88 PolarHBondContact O-N 3.45Å; R88-A90 PolarHBondContact O-N 2.98Å |
| 89 | A | 75.9 | Confident | 77.5 | Confident | 90 Ų | 90 | 136.5 Ų | 136.5 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 135.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V91 | A89-V91 PolarHBondContact O-N 2.77Å; A89-V91 VanDerWaalsContact O-N 3.12Å |
| 90 | A | 71.4 | Confident | 76.7 | Confident | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.7 | 173 | 0 | 0 | 0 | 0 | 0 | 107.5 | R88 A92 | R88-A90 PolarHBondContact O-N 2.98Å; A90-A92 PolarHBondContact O-N 3.29Å |
| 91 | V | 66.3 | Low | 75.7 | Confident | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -67 | 119.2 | 169.1 | -172.3 | 0 | 0 | 0 | 0 | 105.4 | A89 A93 | A89-V91 PolarHBondContact O-N 2.77Å; A89-V91 VanDerWaalsContact O-N 3.12Å; V91-A93 PolarHBondContact O-N 2.92Å |
| 92 | A | 66 | Low | 74.8 | Confident | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 129.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | A90 S94 | A90-A92 PolarHBondContact O-N 3.29Å; A92-S94 PolarHBondContact O-N 2.95Å; A92-S94 VanDerWaalsContact O-N 3.09Å |
| 93 | A | 65 | Low | 73.8 | Confident | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V91 S95 | V91-A93 PolarHBondContact O-N 2.92Å; A93-S95 PolarHBondContact O-N 2.91Å; A93-S95 VanDerWaalsContact O-N 3.1Å |
| 94 | S | 63.5 | Low | 72.8 | Confident | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | trans | -60.7 | 112.8 | 172.8 | 41.4 | 0 | 0 | 0 | 0 | 108 | A92 S96 | A92-S94 PolarHBondContact O-N 2.95Å; A92-S94 VanDerWaalsContact O-N 3.09Å; S94-S96 PolarHBondContact O-N 2.88Å; S94-S96 VanDerWaalsContact O-N 3.09Å | ||
| 95 | S | 62.6 | Low | 71.7 | Confident | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 85% | 0.852 | S | S | * | * | trans | -60.4 | 109.5 | 168.8 | 41.8 | 0 | 0 | 0 | 0 | 108 | A93 S97 | A93-S95 PolarHBondContact O-N 2.91Å; A93-S95 VanDerWaalsContact O-N 3.1Å; S95-S97 PolarHBondContact O-N 3.31Å | ||
| 96 | S | 66.1 | Low | 70.3 | Confident | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 86% | 0.858 | S | S | * | * | trans | -71.6 | 120.9 | 168.6 | 45.1 | 0 | 0 | 0 | 0 | 109 | S94 | S94-S96 PolarHBondContact O-N 2.88Å; S94-S96 VanDerWaalsContact O-N 3.09Å | ||
| 97 | S | 54.9 | Low | 68.7 | Low | 198 Ų | 198 | 139.8 Ų | 139.8 | 100% | 1.385 | 87% | 0.871 | S | S | * | * | trans | 27.1 | 0 | 162.9 | -50 | 0 | 0 | 0 | 0 | 119.3 | S95 | S95-S97 PolarHBondContact O-N 3.31Š|
Retrieved 97 of 97 residues in 81.4 ms
(Link to these results)