| 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 | 63.3 | Low | 92.5 | Very high | 238 Ų | 238 | 95.5 Ų | 95.5 | 100% | 1.172 | 47% | 0.473 | S | S | * | . | 0 | 150.7 | 0 | -75.4 | 176.1 | -170.3 | 0 | 0 | 108.2 | |||||
| 2 | V | 84.9 | Confident | 93 | Very high | 89 Ų | 89 | 87.5 Ų | 87.5 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 133.7 | 168.2 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | Y69 T73 | V2-Y69 HydrophobicContact CG1-CE1 3.84Å; V2-T73 HydrophobicContact CG1-CG2 3.63Å; V2-T73 HydrophobicContact CG2-CG2 4.14Å |
| 3 | A | 92.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 86.3 Ų | 86.3 | 13% | 0.132 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 141 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q7 L35 Y69 | A3-Q7 VanDerWaalsContact CA-OE1 3.25Å; A3-Q7 HydrophobicContact CB-CB 3.96Å; A3-L35 HydrophobicContact CB-CD2 3.77Å; A3-Y69 WeakPolarHBondContact CB-OH 3.29Å; A3-Y69 PolarHBondContact N-OH 3.48Å |
| 4 | D | 95.3 | Very high | 93.7 | Very high | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 173.9 | 172.9 | 68.8 | 45.1 | 0 | 0 | 0 | 111.3 | E6 Q7 C8 | D4-E6 VanDerWaalsContact C-N 3.26Å; D4-E6 PolarHBondContact O-N 2.7Å; D4-E6 WeakPolarHBondContact OD1-CA 3.31Å; D4-E6 WeakPolarHBondContact OD1-CB 3.37Å; D4-E6 PolarHBondContact OD1-N 3.49Å; D4-Q7 PolarHBondContact O-N 2.76Å; D4-Q7 WeakPolarHBondContact OD1-CG 3.36Å; D4-Q7 PolarHBondContact OD1-N 3.26Å; D4-C8 WeakPolarHBondContact O-CB 3.19Å; D4-C8 PolarHBondContact O-N 3.27Å; D4-C8 PolarHBondContact O-SG 3.4Å |
| 5 | K | 96 | Very high | 94 | Very high | 140 Ų | 140 | 88.5 Ų | 88.5 | 61% | 0.609 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.8 | -31.3 | -176.6 | -172.2 | 175.8 | -179.5 | 177.1 | 0 | 113 | K9 F62 M66 | K5-K9 WeakPolarHBondContact O-CB 3.42Å; K5-K9 PolarHBondContact O-N 3.48Å; K5-F62 HydrophobicContact CG-CE1 4.09Å; K5-F62 HydrophobicContact CG-CZ 4.07Å; K5-M66 HydrophobicContact CG-CE 4.5Å |
| 6 | E | 97.2 | Very high | 94.3 | Very high | 142 Ų | 142 | 84.3 Ų | 84.3 | 66% | 0.664 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -73.3 | -47 | 179.9 | -172.3 | 166.8 | -164.6 | 0 | 0 | 109.9 | D4 C8 K9 D10 | D4-E6 VanDerWaalsContact C-N 3.26Å; D4-E6 PolarHBondContact O-N 2.7Å; D4-E6 WeakPolarHBondContact OD1-CA 3.31Å; D4-E6 WeakPolarHBondContact OD1-CB 3.37Å; D4-E6 PolarHBondContact OD1-N 3.49Å; E6-C8 VanDerWaalsContact C-N 3.3Å; E6-C8 PolarHBondContact O-N 3.35Å; E6-K9 WeakPolarHBondContact O-CB 3.22Å; E6-K9 PolarHBondContact O-N 3.1Å; E6-D10 PolarHBondContact O-N 2.75Å |
| 7 | Q | 97.3 | Very high | 94.4 | Very high | 101 Ų | 101 | 88.9 Ų | 88.9 | 47% | 0.472 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.3 | -42.2 | 172.1 | -67.2 | 176.7 | -36.6 | 0 | 0 | 112.3 | A3 D4 K9 M11 | A3-Q7 VanDerWaalsContact CA-OE1 3.25Å; A3-Q7 HydrophobicContact CB-CB 3.96Å; D4-Q7 PolarHBondContact O-N 2.76Å; D4-Q7 WeakPolarHBondContact OD1-CG 3.36Å; D4-Q7 PolarHBondContact OD1-N 3.26Å; Q7-K9 VanDerWaalsContact C-N 3.32Å; Q7-K9 PolarHBondContact O-N 2.63Å; Q7-M11 WeakPolarHBondContact O-CB 3.48Å; Q7-M11 PolarHBondContact O-N 3.45Å |
| 8 | C | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.5 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | D4 E6 F12 L35 F62 M66 Y69 | D4-C8 WeakPolarHBondContact O-CB 3.19Å; D4-C8 PolarHBondContact O-N 3.27Å; D4-C8 PolarHBondContact O-SG 3.4Å; E6-C8 VanDerWaalsContact C-N 3.3Å; E6-C8 PolarHBondContact O-N 3.35Å; C8-F12 VanDerWaalsContact O-CB 3.26Å; C8-F12 WeakPolarHBondContact O-CB 3.45Å; C8-F12 PolarHBondContact O-N 3.02Å; C8-L35 HydrophobicContact CB-CD1 4.29Å; C8-F62 HydrophobicContact CB-CE2 3.93Å; C8-F62 HydrophobicContact CB-CZ 4.07Å; C8-M66 HydrophobicContact CB-SD 3.78Å; C8-Y69 VanDerWaalsContact SG-CE1 3.53Å |
| 9 | K | 98.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 90 Ų | 90 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | -178.8 | -171.5 | 168.2 | -178.7 | 172.2 | 0 | 111.9 | K5 E6 Q7 M11 F12 N13 F62 | K5-K9 WeakPolarHBondContact O-CB 3.42Å; K5-K9 PolarHBondContact O-N 3.48Å; E6-K9 WeakPolarHBondContact O-CB 3.22Å; E6-K9 PolarHBondContact O-N 3.1Å; Q7-K9 VanDerWaalsContact C-N 3.32Å; Q7-K9 PolarHBondContact O-N 2.63Å; K9-M11 VanDerWaalsContact C-N 3.35Å; K9-F12 PolarHBondContact O-N 2.8Å; K9-N13 WeakPolarHBondContact O-CB 3.48Å; K9-N13 PolarHBondContact O-N 3.12Å; K9-N13 PolarHBondContact O-ND2 3.35Å; K9-F62 VanDerWaalsContact CA-CE2 3.44Å; K9-F62 HydrophobicContact CB-CD2 4.44Å; K9-F62 HydrophobicContact CB-CE1 4Å; K9-F62 HydrophobicContact CB-CE2 3.86Å; K9-F62 HydrophobicContact CB-CZ 3.61Å; K9-F62 HydrophobicContact CD-CD1 4.38Å; K9-F62 HydrophobicContact CD-CE1 4.25Å; K9-F62 HydrophobicContact CG-CD1 4.39Å; K9-F62 HydrophobicContact CG-CE1 4.25Å; K9-F62 HydrophobicContact CG-CE2 4.42Å; K9-F62 HydrophobicContact CG-CZ 4.27Å |
| 10 | D | 97.7 | Very high | 94.7 | Very high | 96 Ų | 96 | 89.3 Ų | 89.3 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.7 | -72.2 | -13 | 0 | 0 | 0 | 110.6 | E6 F12 N13 L14 | E6-D10 PolarHBondContact O-N 2.75Å; D10-F12 PolarHBondContact O-N 3.11Å; D10-N13 PolarHBondContact O-N 3.3Å; D10-L14 WeakPolarHBondContact O-CG 3.41Å; D10-L14 PolarHBondContact O-N 3.09Å |
| 11 | M | 98 | Very high | 94.9 | Very high | 46 Ų | 46 | 86.5 Ų | 86.5 | 23% | 0.227 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.4 | -167.8 | 58.2 | 66.5 | 0 | 0 | 112 | Q7 K9 N13 L14 Y15 V31 A34 L35 | Q7-M11 WeakPolarHBondContact O-CB 3.48Å; Q7-M11 PolarHBondContact O-N 3.45Å; K9-M11 VanDerWaalsContact C-N 3.35Å; M11-N13 VanDerWaalsContact C-N 3.31Å; M11-N13 PolarHBondContact O-N 3.25Å; M11-L14 HydrophobicContact CE-CD1 4.46Å; M11-L14 WeakPolarHBondContact O-CB 3.48Å; M11-L14 PolarHBondContact O-N 3.35Å; M11-L14 HydrophobicContact SD-CD1 3.92Å; M11-Y15 HydrophobicContact CG-CE2 4.4Å; M11-Y15 WeakPolarHBondContact O-CD2 3.42Å; M11-Y15 HydrophobicContact SD-CE2 4.02Å; M11-V31 HydrophobicContact CG-CG1 4.1Å; M11-A34 HydrophobicContact CE-CB 4.01Å; M11-A34 HydrophobicContact CG-CB 3.83Å; M11-A34 HydrophobicContact SD-CB 3.48Å; M11-A34 WeakPolarHBondContact SD-CB 3.48Å; M11-L35 HydrophobicContact CB-CD2 3.63Å; M11-L35 HydrophobicContact CB-CG 4.02Å; M11-L35 HydrophobicContact CG-CD2 4.04Å; M11-L35 HydrophobicContact CG-CG 3.97Å |
| 12 | F | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 177.2 | -174.8 | -83.2 | 0 | 0 | 0 | 111.8 | C8 K9 D10 L14 Y15 D16 I23 I60 F62 F65 | C8-F12 VanDerWaalsContact O-CB 3.26Å; C8-F12 WeakPolarHBondContact O-CB 3.45Å; C8-F12 PolarHBondContact O-N 3.02Å; K9-F12 PolarHBondContact O-N 2.8Å; D10-F12 PolarHBondContact O-N 3.11Å; F12-L14 VanDerWaalsContact C-N 3.28Å; F12-L14 PolarHBondContact O-N 2.77Å; F12-Y15 PolarHBondContact O-N 3.3Å; F12-Y15 VanDerWaalsContact O-N 3.09Å; F12-D16 PolarHBondContact O-N 3.18Å; F12-I23 HydrophobicContact CD1-CG2 4.12Å; F12-I23 HydrophobicContact CD2-CD1 3.81Å; F12-I23 HydrophobicContact CD2-CG1 4.32Å; F12-I23 HydrophobicContact CD2-CG2 4.36Å; F12-I23 HydrophobicContact CE1-CG2 3.8Å; F12-I23 HydrophobicContact CE2-CB 4.38Å; F12-I23 HydrophobicContact CE2-CD1 3.48Å; F12-I23 VanDerWaalsContact CE2-CD1 3.48Å; F12-I23 HydrophobicContact CE2-CG1 3.56Å; F12-I23 HydrophobicContact CE2-CG2 4.07Å; F12-I23 HydrophobicContact CG-CG2 4.39Å; F12-I23 HydrophobicContact CZ-CB 4.19Å; F12-I23 HydrophobicContact CZ-CD1 4.15Å; F12-I23 HydrophobicContact CZ-CG1 3.73Å; F12-I23 HydrophobicContact CZ-CG2 3.78Å; F12-I60 HydrophobicContact CE2-CG2 4.36Å; F12-I60 WeakPolarHBondContact CZ-O 3.41Å; F12-F62 HydrophobicContact CB-CD2 3.83Å; F12-F62 HydrophobicContact CB-CE2 4.28Å; F12-F62 HydrophobicContact CD1-CB 4.18Å; F12-F62 HydrophobicContact CD1-CD2 4.27Å; F12-F62 HydrophobicContact CD2-CD2 4.02Å; F12-F62 HydrophobicContact CE1-CB 4.13Å; F12-F62 HydrophobicContact CG-CB 4.44Å; F12-F62 AromaticContact CG-CD2 3.79Å; F12-F62 HydrophobicContact CG-CD2 3.79Å; F12-F62 HydrophobicContact CZ-CB 4.33Å; F12-F65 HydrophobicContact CD2-CB 4.1Å; F12-F65 AromaticContact CD2-CD1 3.97Å; F12-F65 HydrophobicContact CD2-CD1 3.97Å; F12-F65 HydrophobicContact CD2-CD2 4.39Å; F12-F65 AromaticContact CD2-CG 3.89Å; F12-F65 HydrophobicContact CD2-CG 3.89Å; F12-F65 HydrophobicContact CE2-CB 3.75Å; F12-F65 HydrophobicContact CE2-CD1 4.48Å; F12-F65 HydrophobicContact CE2-CD2 4.46Å; F12-F65 AromaticContact CE2-CG 3.99Å; F12-F65 HydrophobicContact CE2-CG 3.99Å |
| 13 | N | 98 | Very high | 97.2 | Very high | 72 Ų | 72 | 74.8 Ų | 74.8 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.1 | -25.8 | 179.6 | -67.7 | -22.4 | 0 | 0 | 0 | 113.1 | K9 D10 M11 Y15 D16 | K9-N13 WeakPolarHBondContact O-CB 3.48Å; K9-N13 PolarHBondContact O-N 3.12Å; K9-N13 PolarHBondContact O-ND2 3.35Å; D10-N13 PolarHBondContact O-N 3.3Å; M11-N13 VanDerWaalsContact C-N 3.31Å; M11-N13 PolarHBondContact O-N 3.25Å; N13-Y15 PolarHBondContact O-N 3.17Å; N13-D16 PolarHBondContact O-N 3.32Å |
| 14 | L | 98 | Very high | 97.5 | Very high | 135 Ų | 135 | 75 Ų | 75 | 71% | 0.707 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.5 | -24.7 | 173.1 | -70 | 175.1 | 0 | 0 | 0 | 112.7 | D10 M11 F12 | D10-L14 WeakPolarHBondContact O-CG 3.41Å; D10-L14 PolarHBondContact O-N 3.09Å; M11-L14 HydrophobicContact CE-CD1 4.46Å; M11-L14 WeakPolarHBondContact O-CB 3.48Å; M11-L14 PolarHBondContact O-N 3.35Å; M11-L14 HydrophobicContact SD-CD1 3.92Å; F12-L14 VanDerWaalsContact C-N 3.28Å; F12-L14 PolarHBondContact O-N 2.77Å |
| 15 | Y | 98 | Very high | 97.6 | Very high | 71 Ų | 71 | 71.2 Ų | 71.2 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -97.6 | -8.5 | 177.6 | -74.6 | -97 | 0 | 0 | 0 | 113.2 | M11 F12 N13 E17 Q27 V31 A34 | M11-Y15 HydrophobicContact CG-CE2 4.4Å; M11-Y15 WeakPolarHBondContact O-CD2 3.42Å; M11-Y15 HydrophobicContact SD-CE2 4.02Å; F12-Y15 PolarHBondContact O-N 3.3Å; F12-Y15 VanDerWaalsContact O-N 3.09Å; N13-Y15 PolarHBondContact O-N 3.17Å; Y15-E17 PolarHBondContact O-N 2.95Å; Y15-Q27 HydrophobicContact CD1-CB 4.38Å; Y15-Q27 PolarHBondContact O-NE2 2.86Å; Y15-Q27 VanDerWaalsContact O-NE2 3.15Å; Y15-V31 HydrophobicContact CD1-CG2 4.27Å; Y15-V31 HydrophobicContact CD2-CG2 3.67Å; Y15-V31 HydrophobicContact CE2-CG2 4.16Å; Y15-V31 HydrophobicContact CG-CG2 3.71Å; Y15-A34 HydrophobicContact CE2-CB 4.22Å |
| 16 | D | 98.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | trans | -75.1 | 91.1 | 174.1 | -178.6 | 3.9 | 0 | 0 | 0 | 109.9 | F12 N13 E18 G19 D20 G21 K22 I23 R59 | F12-D16 PolarHBondContact O-N 3.18Å; N13-D16 PolarHBondContact O-N 3.32Å; D16-E18 PolarHBondContact O-N 3.49Å; D16-E18 PolarHBondContact OD1-N 3.25Å; D16-E18 VanDerWaalsContact OD1-N 3.1Å; D16-G19 VanDerWaalsContact CG-N 3.3Å; D16-G19 PolarHBondContact OD1-N 3.34Å; D16-G19 VanDerWaalsContact OD2-CA 3.29Å; D16-G19 WeakPolarHBondContact OD2-CA 3.43Å; D16-G19 PolarHBondContact OD2-N 3.45Å; D16-D20 PolarHBondContact OD2-N 3.15Å; D16-D20 VanDerWaalsContact OD2-N 3.11Å; D16-G21 VanDerWaalsContact OD2-CA 3.31Å; D16-G21 WeakPolarHBondContact OD2-CA 3.27Å; D16-G21 PolarHBondContact OD2-N 2.9Å; D16-K22 PolarHBondContact OD2-N 3.39Å; D16-I23 HydrophobicContact CB-CG2 4.27Å; D16-R59 IonicContact OD1-NH2 2.7Å | ||
| 17 | E | 95.9 | Very high | 97.6 | Very high | 162 Ų | 162 | 61.6 Ų | 61.6 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -67.4 | -22.2 | -180 | -63.1 | 179.6 | 178.7 | 0 | 0 | 112.9 | Y15 | Y15-E17 PolarHBondContact O-N 2.95Š|
| 18 | E | 96 | Very high | 97.6 | Very high | 133 Ų | 133 | 56.8 Ų | 56.8 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -100.7 | -18 | -175.1 | -63.3 | -178.9 | -149.5 | 0 | 0 | 113.2 | D16 D20 R59 | D16-E18 PolarHBondContact O-N 3.49Å; D16-E18 PolarHBondContact OD1-N 3.25Å; D16-E18 VanDerWaalsContact OD1-N 3.1Å; E18-D20 VanDerWaalsContact C-N 3.3Å; E18-D20 PolarHBondContact O-N 3.31Å; E18-R59 IonicContact OE1-CZ 3.32Å; E18-R59 VanDerWaalsContact OE1-CZ 3.31Å; E18-R59 IonicContact OE1-NE 3.72Å; E18-R59 IonicContact OE1-NH1 2.96Å; E18-R59 PolarHBondContact OE1-NH1 2.88Å; E18-R59 IonicContact OE1-NH2 2.63Å; E18-R59 IonicContact OE2-CZ 3.26Å; E18-R59 VanDerWaalsContact OE2-CZ 3.28Å; E18-R59 IonicContact OE2-NH1 3.67Å; E18-R59 PolarHBondContact OE2-NH1 3.01Å; E18-R59 IonicContact OE2-NH2 3.61Å |
| 19 | G | 96.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 69.9 | 23.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | D16 | D16-G19 VanDerWaalsContact CG-N 3.3Å; D16-G19 PolarHBondContact OD1-N 3.34Å; D16-G19 VanDerWaalsContact OD2-CA 3.29Å; D16-G19 WeakPolarHBondContact OD2-CA 3.43Å; D16-G19 PolarHBondContact OD2-N 3.45Å |
| 20 | D | 97.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 54.7 Ų | 54.7 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -103.9 | 9.9 | -178.8 | 79.7 | -21.7 | 0 | 0 | 0 | 113.5 | D16 E18 K22 R59 | D16-D20 PolarHBondContact OD2-N 3.15Å; D16-D20 VanDerWaalsContact OD2-N 3.11Å; E18-D20 VanDerWaalsContact C-N 3.3Å; E18-D20 PolarHBondContact O-N 3.31Å; D20-K22 PolarHBondContact OD1-N 3.41Å; D20-R59 VanDerWaalsContact CG-NH1 3.34Å; D20-R59 IonicContact OD1-CZ 3.03Å; D20-R59 VanDerWaalsContact OD1-CZ 3.32Å; D20-R59 IonicContact OD1-NH1 3.6Å; D20-R59 PolarHBondContact OD1-NH1 3.03Å; D20-R59 IonicContact OD1-NH2 3.8Å; D20-R59 PolarHBondContact OD1-NH2 2.75Å; D20-R59 IonicContact OD2-CZ 3.26Å; D20-R59 IonicContact OD2-NH1 3.28Å; D20-R59 PolarHBondContact OD2-NH1 3.28Å; D20-R59 IonicContact OD2-NH2 2.72Å |
| 21 | G | 97.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 82.5 | 22.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D16 | D16-G21 VanDerWaalsContact OD2-CA 3.31Å; D16-G21 WeakPolarHBondContact OD2-CA 3.27Å; D16-G21 PolarHBondContact OD2-N 2.9Å |
| 22 | K | 98.5 | Very high | 97.5 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.8 | -179.1 | -58.2 | 175 | -172 | 167.1 | 0 | 112.9 | D16 D20 R59 I60 T61 | D16-K22 PolarHBondContact OD2-N 3.39Å; D20-K22 PolarHBondContact OD1-N 3.41Å; K22-R59 HydrophobicContact CB-CB 4.15Å; K22-R59 HydrophobicContact CD-CB 4.38Å; K22-R59 PolarHBondContact O-NH2 3.31Å; K22-I60 WeakPolarHBondContact CA-O 3.41Å; K22-I60 WeakPolarHBondContact CB-O 3.44Å; K22-T61 HydrophobicContact CD-CG2 4.39Å; K22-T61 HydrophobicContact CG-CG2 3.97Å |
| 23 | I | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 159 | 171.5 | 67.7 | 178.1 | 0 | 0 | 0 | 110.4 | F12 D16 Q27 V31 R59 I60 | F12-I23 HydrophobicContact CD1-CG2 4.12Å; F12-I23 HydrophobicContact CD2-CD1 3.81Å; F12-I23 HydrophobicContact CD2-CG1 4.32Å; F12-I23 HydrophobicContact CD2-CG2 4.36Å; F12-I23 HydrophobicContact CE1-CG2 3.8Å; F12-I23 HydrophobicContact CE2-CB 4.38Å; F12-I23 HydrophobicContact CE2-CD1 3.48Å; F12-I23 VanDerWaalsContact CE2-CD1 3.48Å; F12-I23 HydrophobicContact CE2-CG1 3.56Å; F12-I23 HydrophobicContact CE2-CG2 4.07Å; F12-I23 HydrophobicContact CG-CG2 4.39Å; F12-I23 HydrophobicContact CZ-CB 4.19Å; F12-I23 HydrophobicContact CZ-CD1 4.15Å; F12-I23 HydrophobicContact CZ-CG1 3.73Å; F12-I23 HydrophobicContact CZ-CG2 3.78Å; D16-I23 HydrophobicContact CB-CG2 4.27Å; I23-Q27 HydrophobicContact CB-CB 4.42Å; I23-Q27 HydrophobicContact CD1-CB 4.2Å; I23-V31 HydrophobicContact CD1-CG2 3.63Å; I23-R59 CarbonylContact O-C 3.49Å; I23-R59 WeakPolarHBondContact O-CA 3.42Å; I23-R59 WeakPolarHBondContact O-CB 3.22Å; I23-I60 HydrophobicContact CD1-CG2 4.19Å; I23-I60 HydrophobicContact CG1-CG2 3.5Å; I23-I60 PolarHBondContact N-O 2.85Å; I23-I60 VanDerWaalsContact N-O 3.12Å; I23-I60 PolarHBondContact O-N 2.57Å |
| 24 | D | 98.1 | Very high | 97.2 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 141.5 | 168.7 | -172.6 | -83.6 | 0 | 0 | 0 | 110.3 | T26 Q27 G56 | D24-T26 PolarHBondContact O-N 2.9Å; D24-T26 VanDerWaalsContact O-N 3.12Å; D24-T26 VanDerWaalsContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.26Å; D24-T26 PolarHBondContact OD1-N 3.18Å; D24-T26 PolarHBondContact OD1-OG1 3.15Å; D24-Q27 HydrophobicContact CB-CG 4.25Å; D24-Q27 WeakPolarHBondContact O-CB 3.34Å; D24-Q27 PolarHBondContact O-N 2.96Å; D24-G56 WeakPolarHBondContact OD2-CA 3.45Å; D24-G56 PolarHBondContact OD2-N 3.21Å |
| 25 | G | 96.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -53.3 | -33.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q27 I28 Y52 K58 | G25-Q27 PolarHBondContact O-N 2.89Å; G25-I28 WeakPolarHBondContact O-CB 3.15Å; G25-I28 WeakPolarHBondContact O-CD1 3.5Å; G25-I28 VanDerWaalsContact O-CG1 3.24Å; G25-I28 WeakPolarHBondContact O-CG1 3.37Å; G25-I28 PolarHBondContact O-N 2.72Å; G25-Y52 CarbonylContact C-O 3.3Å; G25-Y52 VanDerWaalsContact C-O 3.3Å; G25-K58 PolarHBondContact N-O 2.63Å |
| 26 | T | 96.1 | Very high | 96.8 | Very high | 53 Ų | 53 | 44.5 Ų | 44.5 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -68.7 | -17.4 | 178.7 | 62 | 0 | 0 | 0 | 0 | 113.1 | D24 Y52 R54 K55 | D24-T26 PolarHBondContact O-N 2.9Å; D24-T26 VanDerWaalsContact O-N 3.12Å; D24-T26 VanDerWaalsContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CB 3.3Å; D24-T26 WeakPolarHBondContact OD1-CG2 3.26Å; D24-T26 PolarHBondContact OD1-N 3.18Å; D24-T26 PolarHBondContact OD1-OG1 3.15Å; T26-Y52 PolarHBondContact N-O 3.01Å; T26-R54 VanDerWaalsContact CG2-C 3.41Å; T26-K55 HydrophobicContact CG2-CB 4.21Å; T26-K55 VanDerWaalsContact CG2-N 3.28Å |
| 27 | Q | 97.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 45 Ų | 45 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -81.9 | -12.6 | 177.5 | -63.7 | 172.6 | -66 | 0 | 0 | 113 | Y15 I23 D24 G25 G29 S30 V31 | Y15-Q27 HydrophobicContact CD1-CB 4.38Å; Y15-Q27 PolarHBondContact O-NE2 2.86Å; Y15-Q27 VanDerWaalsContact O-NE2 3.15Å; I23-Q27 HydrophobicContact CB-CB 4.42Å; I23-Q27 HydrophobicContact CD1-CB 4.2Å; D24-Q27 HydrophobicContact CB-CG 4.25Å; D24-Q27 WeakPolarHBondContact O-CB 3.34Å; D24-Q27 PolarHBondContact O-N 2.96Å; G25-Q27 PolarHBondContact O-N 2.89Å; Q27-G29 VanDerWaalsContact C-N 3.27Å; Q27-G29 PolarHBondContact O-N 2.97Å; Q27-S30 WeakPolarHBondContact O-CA 3.48Å; Q27-S30 WeakPolarHBondContact O-CB 3.46Å; Q27-S30 PolarHBondContact O-N 3.34Å; Q27-V31 WeakPolarHBondContact O-CG2 3.49Å; Q27-V31 PolarHBondContact O-N 3.05Å |
| 28 | I | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.8 | -46.6 | -178.6 | -65.6 | 169.9 | 0 | 0 | 0 | 110.9 | G25 S30 V31 V32 V44 A48 Y52 I60 F65 I68 | G25-I28 WeakPolarHBondContact O-CB 3.15Å; G25-I28 WeakPolarHBondContact O-CD1 3.5Å; G25-I28 VanDerWaalsContact O-CG1 3.24Å; G25-I28 WeakPolarHBondContact O-CG1 3.37Å; G25-I28 PolarHBondContact O-N 2.72Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.21Å; I28-V31 PolarHBondContact O-N 3.09Å; I28-V32 WeakPolarHBondContact O-CG1 3.46Å; I28-V32 WeakPolarHBondContact O-CG2 3.45Å; I28-V32 PolarHBondContact O-N 3.05Å; I28-V44 HydrophobicContact CB-CG1 4.19Å; I28-V44 HydrophobicContact CG2-CG1 3.78Å; I28-A48 HydrophobicContact CD1-CB 3.82Å; I28-Y52 HydrophobicContact CD1-CD1 4.31Å; I28-Y52 HydrophobicContact CD1-CD2 4.22Å; I28-Y52 HydrophobicContact CD1-CG 3.95Å; I28-I60 HydrophobicContact CD1-CD1 3.95Å; I28-I60 HydrophobicContact CD1-CG2 4.26Å; I28-I60 HydrophobicContact CG1-CG2 4.16Å; I28-F65 HydrophobicContact CG2-CD2 4.31Å; I28-F65 HydrophobicContact CG2-CE2 4.19Å; I28-I68 HydrophobicContact CD1-CD1 4.26Å; I28-I68 HydrophobicContact CG2-CG2 4.14Å |
| 29 | G | 96.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q27 V32 R33 | Q27-G29 VanDerWaalsContact C-N 3.27Å; Q27-G29 PolarHBondContact O-N 2.97Å; G29-V32 VanDerWaalsContact O-CG2 3.31Å; G29-V32 WeakPolarHBondContact O-CG2 3.18Å; G29-R33 WeakPolarHBondContact O-CB 3.44Å; G29-R33 VanDerWaalsContact O-CG 3.25Å; G29-R33 WeakPolarHBondContact O-CG 3.45Å; G29-R33 PolarHBondContact O-N 3.23Å; G29-R33 PolarHBondContact O-NH1 3.32Å |
| 30 | S | 97.1 | Very high | 96.4 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.9 | -46.6 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | Q27 I28 V32 R33 A34 | Q27-S30 WeakPolarHBondContact O-CA 3.48Å; Q27-S30 WeakPolarHBondContact O-CB 3.46Å; Q27-S30 PolarHBondContact O-N 3.34Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.21Å; S30-V32 PolarHBondContact O-N 2.91Å; S30-R33 PolarHBondContact O-N 3.44Å; S30-A34 WeakPolarHBondContact O-CB 3.26Å; S30-A34 PolarHBondContact O-N 2.92Å |
| 31 | V | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | M11 Y15 I23 Q27 I28 R33 A34 L35 F65 | M11-V31 HydrophobicContact CG-CG1 4.1Å; Y15-V31 HydrophobicContact CD1-CG2 4.27Å; Y15-V31 HydrophobicContact CD2-CG2 3.67Å; Y15-V31 HydrophobicContact CE2-CG2 4.16Å; Y15-V31 HydrophobicContact CG-CG2 3.71Å; I23-V31 HydrophobicContact CD1-CG2 3.63Å; Q27-V31 WeakPolarHBondContact O-CG2 3.49Å; Q27-V31 PolarHBondContact O-N 3.05Å; I28-V31 PolarHBondContact O-N 3.09Å; V31-R33 VanDerWaalsContact C-N 3.29Å; V31-R33 PolarHBondContact O-N 3.46Å; V31-A34 PolarHBondContact O-N 2.72Å; V31-L35 HydrophobicContact CG1-CD1 4.04Å; V31-L35 WeakPolarHBondContact O-CG 3.37Å; V31-L35 PolarHBondContact O-N 2.86Å; V31-F65 HydrophobicContact CB-CE2 4.13Å; V31-F65 HydrophobicContact CB-CZ 4.15Å; V31-F65 HydrophobicContact CG1-CE1 4.21Å; V31-F65 HydrophobicContact CG1-CE2 4.02Å; V31-F65 HydrophobicContact CG1-CZ 3.57Å |
| 32 | V | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.5 | -31.6 | -179.5 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | I28 G29 S30 L35 G36 L37 P39 V44 F65 Y69 L72 | I28-V32 WeakPolarHBondContact O-CG1 3.46Å; I28-V32 WeakPolarHBondContact O-CG2 3.45Å; I28-V32 PolarHBondContact O-N 3.05Å; G29-V32 VanDerWaalsContact O-CG2 3.31Å; G29-V32 WeakPolarHBondContact O-CG2 3.18Å; S30-V32 PolarHBondContact O-N 2.91Å; V32-L35 CarbonylContact O-C 3.59Å; V32-L35 PolarHBondContact O-N 3.26Å; V32-G36 PolarHBondContact O-N 3.41Å; V32-L37 HydrophobicContact CB-CD1 4.4Å; V32-L37 WeakPolarHBondContact O-CB 3.42Å; V32-L37 PolarHBondContact O-N 3.12Å; V32-P39 HydrophobicContact CG2-CG 3.55Å; V32-V44 HydrophobicContact CG2-CG2 4.32Å; V32-F65 HydrophobicContact CG1-CE2 3.73Å; V32-F65 HydrophobicContact CG1-CZ 3.81Å; V32-Y69 HydrophobicContact CG1-CD2 4.1Å; V32-L72 HydrophobicContact CB-CD1 4.42Å; V32-L72 HydrophobicContact CG1-CD1 3.93Å; V32-L72 HydrophobicContact CG2-CD1 4.27Å |
| 33 | R | 95.1 | Very high | 95.9 | Very high | 97 Ų | 97 | 34.4 Ų | 34.4 | 37% | 0.366 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.2 | -39.3 | 173.4 | -72.3 | 174.7 | -166.2 | 119.8 | 1.6 | 112.2 | G29 S30 V31 L35 G36 L37 P39 N41 | G29-R33 WeakPolarHBondContact O-CB 3.44Å; G29-R33 VanDerWaalsContact O-CG 3.25Å; G29-R33 WeakPolarHBondContact O-CG 3.45Å; G29-R33 PolarHBondContact O-N 3.23Å; G29-R33 PolarHBondContact O-NH1 3.32Å; S30-R33 PolarHBondContact O-N 3.44Å; V31-R33 VanDerWaalsContact C-N 3.29Å; V31-R33 PolarHBondContact O-N 3.46Å; R33-L35 PolarHBondContact O-N 3.4Å; R33-G36 WeakPolarHBondContact O-CA 3.48Å; R33-G36 PolarHBondContact O-N 2.85Å; R33-L37 WeakPolarHBondContact CA-O 3.24Å; R33-P39 PolarHBondContact NE-O 3.11Å; R33-P39 PolarHBondContact NH2-O 2.88Å; R33-N41 PolarHBondContact NH2-OD1 3.45Å |
| 34 | A | 95.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 36% | 0.364 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.6 | -28.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M11 Y15 S30 V31 G36 | M11-A34 HydrophobicContact CE-CB 4.01Å; M11-A34 HydrophobicContact CG-CB 3.83Å; M11-A34 HydrophobicContact SD-CB 3.48Å; M11-A34 WeakPolarHBondContact SD-CB 3.48Å; Y15-A34 HydrophobicContact CE2-CB 4.22Å; S30-A34 WeakPolarHBondContact O-CB 3.26Å; S30-A34 PolarHBondContact O-N 2.92Å; V31-A34 PolarHBondContact O-N 2.72Å; A34-G36 PolarHBondContact O-N 3.03Å |
| 35 | L | 95.4 | Very high | 95.6 | Very high | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 9.5 | 169.7 | -67.4 | 168.6 | 0 | 0 | 0 | 113.8 | A3 C8 M11 V31 V32 R33 F65 Y69 | A3-L35 HydrophobicContact CB-CD2 3.77Å; C8-L35 HydrophobicContact CB-CD1 4.29Å; M11-L35 HydrophobicContact CB-CD2 3.63Å; M11-L35 HydrophobicContact CB-CG 4.02Å; M11-L35 HydrophobicContact CG-CD2 4.04Å; M11-L35 HydrophobicContact CG-CG 3.97Å; V31-L35 HydrophobicContact CG1-CD1 4.04Å; V31-L35 WeakPolarHBondContact O-CG 3.37Å; V31-L35 PolarHBondContact O-N 2.86Å; V32-L35 CarbonylContact O-C 3.59Å; V32-L35 PolarHBondContact O-N 3.26Å; R33-L35 PolarHBondContact O-N 3.4Å; L35-F65 HydrophobicContact CD1-CE1 4.21Å; L35-F65 HydrophobicContact CD1-CZ 4.07Å; L35-Y69 HydrophobicContact CB-CE2 3.78Å; L35-Y69 HydrophobicContact CD1-CD2 3.87Å; L35-Y69 HydrophobicContact CD1-CE2 3.66Å; L35-Y69 HydrophobicContact CG-CE2 4.35Å |
| 36 | G | 91.9 | Very high | 95.6 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 49% | 0.485 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -0.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V32 R33 A34 | V32-G36 PolarHBondContact O-N 3.41Å; R33-G36 WeakPolarHBondContact O-CA 3.48Å; R33-G36 PolarHBondContact O-N 2.85Å; A34-G36 PolarHBondContact O-N 3.03Å |
| 37 | L | 94.2 | Very high | 95.6 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | trans | -75.7 | 158.3 | 173 | -54.2 | -172.3 | 0 | 0 | 0 | 110.6 | V32 R33 Y69 L72 T73 | V32-L37 HydrophobicContact CB-CD1 4.4Å; V32-L37 WeakPolarHBondContact O-CB 3.42Å; V32-L37 PolarHBondContact O-N 3.12Å; R33-L37 WeakPolarHBondContact CA-O 3.24Å; L37-Y69 HydrophobicContact CD1-CD2 3.84Å; L37-Y69 HydrophobicContact CD1-CE2 3.56Å; L37-Y69 HydrophobicContact CG-CE2 3.93Å; L37-L72 HydrophobicContact CD1-CB 3.9Å; L37-T73 HydrophobicContact CD1-CG2 3.97Å; L37-T73 HydrophobicContact CD2-CG2 4.29Å | ||
| 38 | K | 93.3 | Very high | 95.5 | Very high | 114 Ų | 114 | 40.9 Ų | 40.9 | 50% | 0.496 | 23% | 0.234 | S | C | . | . | trans | -126.2 | 48.6 | 179.2 | -60.3 | -178.9 | 175.1 | 67.9 | 0 | 112.6 | V78 | K38-V78 HydrophobicContact CB-CB 4.5Š| ||
| 39 | P | 95.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | trans | -74 | 151.6 | -178.9 | 33.8 | -35.4 | 0 | 0 | 0 | 111.3 | V32 R33 M43 V44 L72 | V32-P39 HydrophobicContact CG2-CG 3.55Å; R33-P39 PolarHBondContact NE-O 3.11Å; R33-P39 PolarHBondContact NH2-O 2.88Å; P39-M43 HydrophobicContact CB-CB 4.04Å; P39-M43 HydrophobicContact CB-SD 4.27Å; P39-V44 HydrophobicContact CB-CG2 4.03Å; P39-V44 HydrophobicContact CG-CG2 3.75Å; P39-L72 HydrophobicContact CB-CD2 4.05Å | ||
| 40 | T | 95.2 | Very high | 95.1 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 32% | 0.319 | 27% | 0.267 | S | S | . | . | trans | -71.2 | 158.5 | 164.8 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | A42 M43 V44 E113 | T40-A42 PolarHBondContact O-N 3.18Å; T40-M43 HydrophobicContact CG2-SD 4.47Å; T40-M43 WeakPolarHBondContact O-CB 3.48Å; T40-M43 PolarHBondContact O-N 3.39Å; T40-M43 VanDerWaalsContact O-N 3.15Å; T40-M43 VanDerWaalsContact OG1-CG 3.3Å; T40-M43 WeakPolarHBondContact OG1-CG 3.27Å; T40-M43 PolarHBondContact OG1-N 3.25Å; T40-M43 VanDerWaalsContact OG1-N 3.17Å; T40-V44 WeakPolarHBondContact O-CG2 3.19Å; T40-V44 PolarHBondContact O-N 3.24Å; T40-E113 WeakPolarHBondContact CA-OE2 3.44Å; T40-E113 WeakPolarHBondContact CB-OE1 3.35Å; T40-E113 WeakPolarHBondContact CB-OE2 2.95Å | ||
| 41 | N | 93.9 | Very high | 94.9 | Very high | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 173 | -63.1 | -32 | 0 | 0 | 0 | 110.8 | R33 M43 V44 H45 E113 | R33-N41 PolarHBondContact NH2-OD1 3.45Å; N41-M43 PolarHBondContact O-N 3.33Å; N41-V44 PolarHBondContact O-N 2.96Å; N41-H45 WeakPolarHBondContact O-CB 3.41Å; N41-H45 PolarHBondContact O-CD2 3.23Å; N41-H45 PolarHBondContact O-N 2.96Å; N41-E113 WeakPolarHBondContact CA-OE1 3.32Å; N41-E113 WeakPolarHBondContact CB-OE1 3.4Å; N41-E113 PolarHBondContact N-OE1 3.39Å; N41-E113 PolarHBondContact N-OE2 3.48Å |
| 42 | A | 94.2 | Very high | 94.7 | Very high | 59 Ų | 59 | 49 Ų | 49 | 49% | 0.488 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T40 H45 K46 E113 | T40-A42 PolarHBondContact O-N 3.18Å; A42-H45 PolarHBondContact O-N 3.21Å; A42-K46 VanDerWaalsContact O-CB 3.29Å; A42-K46 WeakPolarHBondContact O-CB 3.41Å; A42-K46 PolarHBondContact O-N 3.06Å; A42-E113 PolarHBondContact N-OE1 3.49Å |
| 43 | M | 95.6 | Very high | 94.4 | Very high | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.8 | -72.6 | 170.7 | 176 | 0 | 0 | 111.4 | P39 T40 N41 H45 K46 A47 L72 E75 E77 V78 | P39-M43 HydrophobicContact CB-CB 4.04Å; P39-M43 HydrophobicContact CB-SD 4.27Å; T40-M43 HydrophobicContact CG2-SD 4.47Å; T40-M43 WeakPolarHBondContact O-CB 3.48Å; T40-M43 PolarHBondContact O-N 3.39Å; T40-M43 VanDerWaalsContact O-N 3.15Å; T40-M43 VanDerWaalsContact OG1-CG 3.3Å; T40-M43 WeakPolarHBondContact OG1-CG 3.27Å; T40-M43 PolarHBondContact OG1-N 3.25Å; T40-M43 VanDerWaalsContact OG1-N 3.17Å; N41-M43 PolarHBondContact O-N 3.33Å; M43-H45 PolarHBondContact O-N 3.36Å; M43-K46 PolarHBondContact O-N 2.94Å; M43-A47 WeakPolarHBondContact O-CB 3.43Å; M43-A47 PolarHBondContact O-N 3.4Å; M43-L72 HydrophobicContact CB-CD2 4.06Å; M43-E75 HydrophobicContact SD-CB 4.48Å; M43-E77 HydrophobicContact CE-CB 4.09Å; M43-E77 VanDerWaalsContact CE-O 3.28Å; M43-E77 WeakPolarHBondContact CE-O 3.47Å; M43-V78 HydrophobicContact SD-CG1 4.4Å |
| 44 | V | 96.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -49.1 | 177 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | I28 V32 P39 T40 N41 K46 A47 A48 L72 | I28-V44 HydrophobicContact CB-CG1 4.19Å; I28-V44 HydrophobicContact CG2-CG1 3.78Å; V32-V44 HydrophobicContact CG2-CG2 4.32Å; P39-V44 HydrophobicContact CB-CG2 4.03Å; P39-V44 HydrophobicContact CG-CG2 3.75Å; T40-V44 WeakPolarHBondContact O-CG2 3.19Å; T40-V44 PolarHBondContact O-N 3.24Å; N41-V44 PolarHBondContact O-N 2.96Å; V44-K46 VanDerWaalsContact C-N 3.35Å; V44-K46 PolarHBondContact O-N 3.24Å; V44-A47 PolarHBondContact O-N 2.9Å; V44-A48 VanDerWaalsContact O-CB 3.22Å; V44-A48 WeakPolarHBondContact O-CB 3.48Å; V44-A48 PolarHBondContact O-N 3.4Å; V44-L72 HydrophobicContact CG2-CD1 4.32Å |
| 45 | H | 94.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 62 Ų | 62 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.9 | -36.4 | -180 | -64 | -40.5 | 0 | 0 | 0 | 113 | N41 A42 M43 A47 G49 K53 | N41-H45 WeakPolarHBondContact O-CB 3.41Å; N41-H45 PolarHBondContact O-CD2 3.23Å; N41-H45 PolarHBondContact O-N 2.96Å; A42-H45 PolarHBondContact O-N 3.21Å; M43-H45 PolarHBondContact O-N 3.36Å; H45-A47 VanDerWaalsContact C-N 3.31Å; H45-A47 PolarHBondContact O-N 3.37Å; H45-G49 CarbonylContact O-C 3.58Å; H45-G49 WeakPolarHBondContact O-CA 3.32Å; H45-G49 PolarHBondContact O-N 3.36Å; H45-K53 WeakPolarHBondContact ND1-CG 3.37Å |
| 46 | K | 95.1 | Very high | 94.1 | Very high | 155 Ų | 155 | 64.2 Ų | 64.2 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.7 | -38.2 | 174.5 | -178.9 | -174.8 | 173.9 | -165.2 | 0 | 111.9 | A42 M43 V44 | A42-K46 VanDerWaalsContact O-CB 3.29Å; A42-K46 WeakPolarHBondContact O-CB 3.41Å; A42-K46 PolarHBondContact O-N 3.06Å; M43-K46 PolarHBondContact O-N 2.94Å; V44-K46 VanDerWaalsContact C-N 3.35Å; V44-K46 PolarHBondContact O-N 3.24Å |
| 47 | A | 96.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -79.2 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M43 V44 H45 I68 Q71 L72 | M43-A47 WeakPolarHBondContact O-CB 3.43Å; M43-A47 PolarHBondContact O-N 3.4Å; V44-A47 PolarHBondContact O-N 2.9Å; H45-A47 VanDerWaalsContact C-N 3.31Å; H45-A47 PolarHBondContact O-N 3.37Å; A47-I68 HydrophobicContact CB-CG2 3.83Å; A47-Q71 HydrophobicContact CB-CG 4.35Å; A47-L72 HydrophobicContact CB-CD2 4Å; A47-L72 HydrophobicContact CB-CG 4.05Å |
| 48 | A | 96.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 68.3 Ų | 68.3 | 12% | 0.116 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -85.9 | -39.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I28 V44 Y52 I68 | I28-A48 HydrophobicContact CD1-CB 3.82Å; V44-A48 VanDerWaalsContact O-CB 3.22Å; V44-A48 WeakPolarHBondContact O-CB 3.48Å; V44-A48 PolarHBondContact O-N 3.4Å; A48-Y52 HydrophobicContact CB-CD2 3.84Å; A48-Y52 VanDerWaalsContact O-CD2 3.27Å; A48-Y52 WeakPolarHBondContact O-CD2 3.49Å; A48-Y52 WeakPolarHBondContact O-CE2 3.37Å; A48-I68 HydrophobicContact CB-CD1 3.81Å; A48-I68 HydrophobicContact CB-CG1 4.49Å; A48-I68 HydrophobicContact CB-CG2 4.17Å |
| 49 | G | 94.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 66 Ų | 66 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | trans | 111.3 | 157.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H45 E51 | H45-G49 CarbonylContact O-C 3.58Å; H45-G49 WeakPolarHBondContact O-CA 3.32Å; H45-G49 PolarHBondContact O-N 3.36Å; G49-E51 VanDerWaalsContact C-N 3.27Å; G49-E51 PolarHBondContact O-N 2.99Å | ||
| 50 | E | 91.6 | Very high | 94.6 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -68.8 | -25 | -176.4 | -68.3 | -70.6 | 132.7 | 0 | 0 | 112.8 | Y52 K53 | E50-Y52 PolarHBondContact O-N 3.32Å; E50-K53 WeakPolarHBondContact O-CB 3.4Å; E50-K53 WeakPolarHBondContact O-CG 3.44Å; E50-K53 PolarHBondContact O-N 2.89Å; E50-K53 WeakPolarHBondContact OE1-CE 3.1Å; E50-K53 IonicContact OE1-NZ 3.4Å; E50-K53 PolarHBondContact OE1-NZ 2.99Å; E50-K53 VanDerWaalsContact OE2-CD 3.26Å; E50-K53 WeakPolarHBondContact OE2-CD 3.17Å; E50-K53 WeakPolarHBondContact OE2-CE 3.26Å; E50-K53 IonicContact OE2-NZ 2.72Å; E50-K53 PolarHBondContact OE2-NZ 3.23Å |
| 51 | E | 92.9 | Very high | 94.8 | Very high | 76 Ų | 76 | 64.8 Ų | 64.8 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -70.3 | -9.1 | -177.8 | 68.3 | -94.2 | -142.8 | 0 | 0 | 114.3 | G49 K58 | G49-E51 VanDerWaalsContact C-N 3.27Å; G49-E51 PolarHBondContact O-N 2.99Å; E51-K58 HydrophobicContact CB-CD 4.16Å; E51-K58 HydrophobicContact CG-CD 3.44Å; E51-K58 VanDerWaalsContact CG-CD 3.44Å; E51-K58 IonicContact OE1-NZ 3.31Å; E51-K58 PolarHBondContact OE1-NZ 3.16Å |
| 52 | Y | 93.4 | Very high | 95 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -100.9 | 9.9 | 177.9 | -59.9 | -65.5 | 0 | 0 | 0 | 113.1 | G25 T26 I28 A48 E50 K58 I60 | G25-Y52 CarbonylContact C-O 3.3Å; G25-Y52 VanDerWaalsContact C-O 3.3Å; T26-Y52 PolarHBondContact N-O 3.01Å; I28-Y52 HydrophobicContact CD1-CD1 4.31Å; I28-Y52 HydrophobicContact CD1-CD2 4.22Å; I28-Y52 HydrophobicContact CD1-CG 3.95Å; A48-Y52 HydrophobicContact CB-CD2 3.84Å; A48-Y52 VanDerWaalsContact O-CD2 3.27Å; A48-Y52 WeakPolarHBondContact O-CD2 3.49Å; A48-Y52 WeakPolarHBondContact O-CE2 3.37Å; E50-Y52 PolarHBondContact O-N 3.32Å; Y52-K58 HydrophobicContact CD1-CB 4Å; Y52-K58 HydrophobicContact CD1-CD 4.15Å; Y52-K58 HydrophobicContact CD1-CG 4.21Å; Y52-K58 HydrophobicContact CE1-CB 3.98Å; Y52-K58 HydrophobicContact CE1-CD 3.49Å; Y52-K58 VanDerWaalsContact CE1-CD 3.49Å; Y52-K58 HydrophobicContact CE1-CG 3.66Å; Y52-K58 VanDerWaalsContact OH-CE 3.26Å; Y52-K58 WeakPolarHBondContact OH-CE 3.5Å; Y52-K58 PolarHBondContact OH-NZ 3.26Å; Y52-I60 HydrophobicContact CE1-CB 3.85Å; Y52-I60 HydrophobicContact CE1-CD1 4.38Å; Y52-I60 HydrophobicContact CE1-CG1 4.34Å; Y52-I60 HydrophobicContact CE2-CD1 4.4Å |
| 53 | K | 91.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 65.4 Ų | 65.4 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78 | -26 | -177 | -77.6 | -173.6 | 173.7 | -179.5 | 0 | 115 | H45 E50 | H45-K53 WeakPolarHBondContact ND1-CG 3.37Å; E50-K53 WeakPolarHBondContact O-CB 3.4Å; E50-K53 WeakPolarHBondContact O-CG 3.44Å; E50-K53 PolarHBondContact O-N 2.89Å; E50-K53 WeakPolarHBondContact OE1-CE 3.1Å; E50-K53 IonicContact OE1-NZ 3.4Å; E50-K53 PolarHBondContact OE1-NZ 2.99Å; E50-K53 VanDerWaalsContact OE2-CD 3.26Å; E50-K53 WeakPolarHBondContact OE2-CD 3.17Å; E50-K53 WeakPolarHBondContact OE2-CE 3.26Å; E50-K53 IonicContact OE2-NZ 2.72Å; E50-K53 PolarHBondContact OE2-NZ 3.23Å |
| 54 | R | 93 | Very high | 95.3 | Very high | 161 Ų | 161 | 68.5 Ų | 68.5 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -119.2 | 135 | -173.5 | -62.9 | 177.9 | -76.7 | -110.3 | -4.3 | 110.8 | T26 G56 E57 | T26-R54 VanDerWaalsContact CG2-C 3.41Å; R54-G56 PolarHBondContact O-N 3.32Å; R54-E57 HydrophobicContact CB-CB 4.29Å; R54-E57 WeakPolarHBondContact CB-OE2 3.41Å; R54-E57 IonicContact CZ-OE1 3.78Å; R54-E57 IonicContact CZ-OE2 3.86Å; R54-E57 VanDerWaalsContact CZ-OE2 3.26Å; R54-E57 IonicContact NE-OE1 3.53Å; R54-E57 IonicContact NE-OE2 2.86Å; R54-E57 PolarHBondContact NE-OE2 2.76Å; R54-E57 IonicContact NH2-OE1 3.78Å; R54-E57 PolarHBondContact NH2-OE1 3.43Å; R54-E57 IonicContact NH2-OE2 3.43Å; R54-E57 PolarHBondContact NH2-OE2 2.97Å; R54-E57 VanDerWaalsContact O-CB 3.27Å; R54-E57 WeakPolarHBondContact O-CB 3.45Å; R54-E57 PolarHBondContact O-N 2.92Å; R54-E57 VanDerWaalsContact O-N 3.15Å |
| 55 | K | 93.9 | Very high | 95.3 | Very high | 170 Ų | 170 | 68.2 Ų | 68.2 | 74% | 0.739 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.9 | 179.6 | -173.1 | 171.1 | -175.3 | 169.1 | 0 | 110.1 | T26 E57 | T26-K55 HydrophobicContact CG2-CB 4.21Å; T26-K55 VanDerWaalsContact CG2-N 3.28Å; K55-E57 VanDerWaalsContact C-N 3.28Å; K55-E57 PolarHBondContact O-N 3.28Å |
| 56 | G | 93.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 67 Ų | 67 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 0.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D24 R54 | D24-G56 WeakPolarHBondContact OD2-CA 3.45Å; D24-G56 PolarHBondContact OD2-N 3.21Å; R54-G56 PolarHBondContact O-N 3.32Å |
| 57 | E | 92.7 | Very high | 95.6 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -43.3 | -179.8 | -171.8 | 166.7 | -170.3 | 0 | 0 | 111.9 | R54 K55 | R54-E57 HydrophobicContact CB-CB 4.29Å; R54-E57 WeakPolarHBondContact CB-OE2 3.41Å; R54-E57 IonicContact CZ-OE1 3.78Å; R54-E57 IonicContact CZ-OE2 3.86Å; R54-E57 VanDerWaalsContact CZ-OE2 3.26Å; R54-E57 IonicContact NE-OE1 3.53Å; R54-E57 IonicContact NE-OE2 2.86Å; R54-E57 PolarHBondContact NE-OE2 2.76Å; R54-E57 IonicContact NH2-OE1 3.78Å; R54-E57 PolarHBondContact NH2-OE1 3.43Å; R54-E57 IonicContact NH2-OE2 3.43Å; R54-E57 PolarHBondContact NH2-OE2 2.97Å; R54-E57 VanDerWaalsContact O-CB 3.27Å; R54-E57 WeakPolarHBondContact O-CB 3.45Å; R54-E57 PolarHBondContact O-N 2.92Å; R54-E57 VanDerWaalsContact O-N 3.15Å; K55-E57 VanDerWaalsContact C-N 3.28Å; K55-E57 PolarHBondContact O-N 3.28Å |
| 58 | K | 96.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 63 Ų | 63 | 32% | 0.317 | 31% | 0.314 | S | S | . | . | trans | -153 | 143.5 | 179.5 | -165.1 | 175.8 | 173.6 | -171.5 | 0 | 111.3 | G25 E51 Y52 | G25-K58 PolarHBondContact N-O 2.63Å; E51-K58 HydrophobicContact CB-CD 4.16Å; E51-K58 HydrophobicContact CG-CD 3.44Å; E51-K58 VanDerWaalsContact CG-CD 3.44Å; E51-K58 IonicContact OE1-NZ 3.31Å; E51-K58 PolarHBondContact OE1-NZ 3.16Å; Y52-K58 HydrophobicContact CD1-CB 4Å; Y52-K58 HydrophobicContact CD1-CD 4.15Å; Y52-K58 HydrophobicContact CD1-CG 4.21Å; Y52-K58 HydrophobicContact CE1-CB 3.98Å; Y52-K58 HydrophobicContact CE1-CD 3.49Å; Y52-K58 VanDerWaalsContact CE1-CD 3.49Å; Y52-K58 HydrophobicContact CE1-CG 3.66Å; Y52-K58 VanDerWaalsContact OH-CE 3.26Å; Y52-K58 WeakPolarHBondContact OH-CE 3.5Å; Y52-K58 PolarHBondContact OH-NZ 3.26Å | ||
| 59 | R | 97.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 25% | 0.249 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.2 | 171 | -61 | 179.7 | 68.7 | -146.6 | 1.6 | 109.7 | D16 E18 D20 K22 I23 | D16-R59 IonicContact OD1-NH2 2.7Å; E18-R59 IonicContact OE1-CZ 3.32Å; E18-R59 VanDerWaalsContact OE1-CZ 3.31Å; E18-R59 IonicContact OE1-NE 3.72Å; E18-R59 IonicContact OE1-NH1 2.96Å; E18-R59 PolarHBondContact OE1-NH1 2.88Å; E18-R59 IonicContact OE1-NH2 2.63Å; E18-R59 IonicContact OE2-CZ 3.26Å; E18-R59 VanDerWaalsContact OE2-CZ 3.28Å; E18-R59 IonicContact OE2-NH1 3.67Å; E18-R59 PolarHBondContact OE2-NH1 3.01Å; E18-R59 IonicContact OE2-NH2 3.61Å; D20-R59 VanDerWaalsContact CG-NH1 3.34Å; D20-R59 IonicContact OD1-CZ 3.03Å; D20-R59 VanDerWaalsContact OD1-CZ 3.32Å; D20-R59 IonicContact OD1-NH1 3.6Å; D20-R59 PolarHBondContact OD1-NH1 3.03Å; D20-R59 IonicContact OD1-NH2 3.8Å; D20-R59 PolarHBondContact OD1-NH2 2.75Å; D20-R59 IonicContact OD2-CZ 3.26Å; D20-R59 IonicContact OD2-NH1 3.28Å; D20-R59 PolarHBondContact OD2-NH1 3.28Å; D20-R59 IonicContact OD2-NH2 2.72Å; K22-R59 HydrophobicContact CB-CB 4.15Å; K22-R59 HydrophobicContact CD-CB 4.38Å; K22-R59 PolarHBondContact O-NH2 3.31Å; I23-R59 CarbonylContact O-C 3.49Å; I23-R59 WeakPolarHBondContact O-CA 3.42Å; I23-R59 WeakPolarHBondContact O-CB 3.22Å |
| 60 | I | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.7 | -175.9 | -167.8 | 171.4 | 0 | 0 | 0 | 109.9 | F12 K22 I23 I28 Y52 E64 F65 I68 | F12-I60 HydrophobicContact CE2-CG2 4.36Å; F12-I60 WeakPolarHBondContact CZ-O 3.41Å; K22-I60 WeakPolarHBondContact CA-O 3.41Å; K22-I60 WeakPolarHBondContact CB-O 3.44Å; I23-I60 HydrophobicContact CD1-CG2 4.19Å; I23-I60 HydrophobicContact CG1-CG2 3.5Å; I23-I60 PolarHBondContact N-O 2.85Å; I23-I60 VanDerWaalsContact N-O 3.12Å; I23-I60 PolarHBondContact O-N 2.57Å; I28-I60 HydrophobicContact CD1-CD1 3.95Å; I28-I60 HydrophobicContact CD1-CG2 4.26Å; I28-I60 HydrophobicContact CG1-CG2 4.16Å; Y52-I60 HydrophobicContact CE1-CB 3.85Å; Y52-I60 HydrophobicContact CE1-CD1 4.38Å; Y52-I60 HydrophobicContact CE1-CG1 4.34Å; Y52-I60 HydrophobicContact CE2-CD1 4.4Å; I60-E64 HydrophobicContact CD1-CB 3.86Å; I60-E64 HydrophobicContact CG1-CB 3.4Å; I60-F65 HydrophobicContact CD1-CB 4.28Å; I60-I68 HydrophobicContact CD1-CD1 3.44Å; I60-I68 VanDerWaalsContact CD1-CD1 3.44Å |
| 61 | T | 98.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 162.2 | 171.7 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | K22 E63 E64 F65 | K22-T61 HydrophobicContact CD-CG2 4.39Å; K22-T61 HydrophobicContact CG-CG2 3.97Å; T61-E63 VanDerWaalsContact C-N 3.25Å; T61-E63 PolarHBondContact O-N 3.48Å; T61-E64 WeakPolarHBondContact CB-OE2 3.49Å; T61-E64 PolarHBondContact N-OE2 3.49Å; T61-E64 PolarHBondContact O-N 2.84Å; T61-E64 WeakPolarHBondContact OG1-CB 3.25Å; T61-E64 VanDerWaalsContact OG1-CD 3.27Å; T61-E64 VanDerWaalsContact OG1-CG 3.22Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.46Å; T61-E64 PolarHBondContact OG1-OE2 3.44Å; T61-F65 WeakPolarHBondContact O-CB 3.48Å; T61-F65 PolarHBondContact O-N 2.81Å |
| 62 | F | 98.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -38.5 | 174.3 | -180 | -111 | 0 | 0 | 0 | 112.3 | K5 C8 K9 F12 E64 F65 M66 | K5-F62 HydrophobicContact CG-CE1 4.09Å; K5-F62 HydrophobicContact CG-CZ 4.07Å; C8-F62 HydrophobicContact CB-CE2 3.93Å; C8-F62 HydrophobicContact CB-CZ 4.07Å; K9-F62 VanDerWaalsContact CA-CE2 3.44Å; K9-F62 HydrophobicContact CB-CD2 4.44Å; K9-F62 HydrophobicContact CB-CE1 4Å; K9-F62 HydrophobicContact CB-CE2 3.86Å; K9-F62 HydrophobicContact CB-CZ 3.61Å; K9-F62 HydrophobicContact CD-CD1 4.38Å; K9-F62 HydrophobicContact CD-CE1 4.25Å; K9-F62 HydrophobicContact CG-CD1 4.39Å; K9-F62 HydrophobicContact CG-CE1 4.25Å; K9-F62 HydrophobicContact CG-CE2 4.42Å; K9-F62 HydrophobicContact CG-CZ 4.27Å; F12-F62 HydrophobicContact CB-CD2 3.83Å; F12-F62 HydrophobicContact CB-CE2 4.28Å; F12-F62 HydrophobicContact CD1-CB 4.18Å; F12-F62 HydrophobicContact CD1-CD2 4.27Å; F12-F62 HydrophobicContact CD2-CD2 4.02Å; F12-F62 HydrophobicContact CE1-CB 4.13Å; F12-F62 HydrophobicContact CG-CB 4.44Å; F12-F62 AromaticContact CG-CD2 3.79Å; F12-F62 HydrophobicContact CG-CD2 3.79Å; F12-F62 HydrophobicContact CZ-CB 4.33Å; F62-E64 VanDerWaalsContact C-N 3.33Å; F62-E64 PolarHBondContact O-N 2.86Å; F62-F65 HydrophobicContact CD2-CD1 4.31Å; F62-F65 HydrophobicContact CE2-CD1 4.35Å; F62-F65 PolarHBondContact O-N 3.22Å; F62-M66 HydrophobicContact CD1-CG 4.39Å; F62-M66 HydrophobicContact CD2-CG 4.5Å; F62-M66 HydrophobicContact CE1-CG 3.88Å; F62-M66 HydrophobicContact CE1-SD 4.28Å; F62-M66 HydrophobicContact CE2-CG 3.99Å; F62-M66 HydrophobicContact CE2-SD 3.74Å; F62-M66 HydrophobicContact CZ-CG 3.66Å; F62-M66 HydrophobicContact CZ-SD 3.48Å; F62-M66 WeakPolarHBondContact CZ-SD 3.35Å; F62-M66 WeakPolarHBondContact O-CG 3.33Å; F62-M66 PolarHBondContact O-N 3.47Å; F62-M66 VanDerWaalsContact O-N 3.09Å |
| 63 | E | 98.1 | Very high | 96.4 | Very high | 129 Ų | 129 | 62.5 Ų | 62.5 | 60% | 0.603 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.5 | -35.3 | 178.3 | -69.7 | 69.4 | -154.1 | 0 | 0 | 112.7 | T61 P67 | T61-E63 VanDerWaalsContact C-N 3.25Å; T61-E63 PolarHBondContact O-N 3.48Å; E63-P67 WeakPolarHBondContact O-CD 3.31Å |
| 64 | E | 97.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 65.7 Ų | 65.7 | 42% | 0.416 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77 | -30.2 | 174.7 | -71 | 166.1 | 134.9 | 0 | 0 | 112.3 | I60 T61 F62 P67 | I60-E64 HydrophobicContact CD1-CB 3.86Å; I60-E64 HydrophobicContact CG1-CB 3.4Å; T61-E64 WeakPolarHBondContact CB-OE2 3.49Å; T61-E64 PolarHBondContact N-OE2 3.49Å; T61-E64 PolarHBondContact O-N 2.84Å; T61-E64 WeakPolarHBondContact OG1-CB 3.25Å; T61-E64 VanDerWaalsContact OG1-CD 3.27Å; T61-E64 VanDerWaalsContact OG1-CG 3.22Å; T61-E64 WeakPolarHBondContact OG1-CG 3.48Å; T61-E64 PolarHBondContact OG1-N 3.46Å; T61-E64 PolarHBondContact OG1-OE2 3.44Å; F62-E64 VanDerWaalsContact C-N 3.33Å; F62-E64 PolarHBondContact O-N 2.86Å; E64-P67 WeakPolarHBondContact O-CD 3.34Å |
| 65 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 177.3 | 168.9 | -97.2 | 0 | 0 | 0 | 112.9 | F12 I28 V31 V32 L35 I60 T61 F62 I68 Y69 | F12-F65 HydrophobicContact CD2-CB 4.1Å; F12-F65 AromaticContact CD2-CD1 3.97Å; F12-F65 HydrophobicContact CD2-CD1 3.97Å; F12-F65 HydrophobicContact CD2-CD2 4.39Å; F12-F65 AromaticContact CD2-CG 3.89Å; F12-F65 HydrophobicContact CD2-CG 3.89Å; F12-F65 HydrophobicContact CE2-CB 3.75Å; F12-F65 HydrophobicContact CE2-CD1 4.48Å; F12-F65 HydrophobicContact CE2-CD2 4.46Å; F12-F65 AromaticContact CE2-CG 3.99Å; F12-F65 HydrophobicContact CE2-CG 3.99Å; I28-F65 HydrophobicContact CG2-CD2 4.31Å; I28-F65 HydrophobicContact CG2-CE2 4.19Å; V31-F65 HydrophobicContact CB-CE2 4.13Å; V31-F65 HydrophobicContact CB-CZ 4.15Å; V31-F65 HydrophobicContact CG1-CE1 4.21Å; V31-F65 HydrophobicContact CG1-CE2 4.02Å; V31-F65 HydrophobicContact CG1-CZ 3.57Å; V32-F65 HydrophobicContact CG1-CE2 3.73Å; V32-F65 HydrophobicContact CG1-CZ 3.81Å; L35-F65 HydrophobicContact CD1-CE1 4.21Å; L35-F65 HydrophobicContact CD1-CZ 4.07Å; I60-F65 HydrophobicContact CD1-CB 4.28Å; T61-F65 WeakPolarHBondContact O-CB 3.48Å; T61-F65 PolarHBondContact O-N 2.81Å; F62-F65 HydrophobicContact CD2-CD1 4.31Å; F62-F65 HydrophobicContact CE2-CD1 4.35Å; F62-F65 PolarHBondContact O-N 3.22Å; F65-I68 WeakPolarHBondContact O-CA 3.45Å; F65-I68 WeakPolarHBondContact O-CB 3.33Å; F65-I68 PolarHBondContact O-N 3.49Å; F65-Y69 HydrophobicContact CE1-CG 4.4Å; F65-Y69 HydrophobicContact CZ-CD2 4.33Å; F65-Y69 PolarHBondContact O-N 3.28Å |
| 66 | M | 98.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.3 | -45.6 | -173.5 | -79.7 | -58.6 | -55.1 | 0 | 0 | 114.4 | K5 C8 F62 I68 Y69 E70 | K5-M66 HydrophobicContact CG-CE 4.5Å; C8-M66 HydrophobicContact CB-SD 3.78Å; F62-M66 HydrophobicContact CD1-CG 4.39Å; F62-M66 HydrophobicContact CD2-CG 4.5Å; F62-M66 HydrophobicContact CE1-CG 3.88Å; F62-M66 HydrophobicContact CE1-SD 4.28Å; F62-M66 HydrophobicContact CE2-CG 3.99Å; F62-M66 HydrophobicContact CE2-SD 3.74Å; F62-M66 HydrophobicContact CZ-CG 3.66Å; F62-M66 HydrophobicContact CZ-SD 3.48Å; F62-M66 WeakPolarHBondContact CZ-SD 3.35Å; F62-M66 WeakPolarHBondContact O-CG 3.33Å; F62-M66 PolarHBondContact O-N 3.47Å; F62-M66 VanDerWaalsContact O-N 3.09Å; M66-I68 VanDerWaalsContact C-N 3.27Å; M66-I68 PolarHBondContact O-N 3Å; M66-Y69 HydrophobicContact CE-CD1 4.39Å; M66-Y69 PolarHBondContact O-N 3.34Å; M66-E70 WeakPolarHBondContact O-CG 3.46Å; M66-E70 PolarHBondContact O-N 2.86Å |
| 67 | P | 97.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 66.3 Ų | 66.3 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 174.4 | -26.2 | 34.8 | 0 | 0 | 0 | 113.9 | E63 E64 Q71 | E63-P67 WeakPolarHBondContact O-CD 3.31Å; E64-P67 WeakPolarHBondContact O-CD 3.34Å; P67-Q71 WeakPolarHBondContact O-CB 3.26Å; P67-Q71 PolarHBondContact O-N 3Å |
| 68 | I | 97.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.067 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.3 | -47.2 | 177.4 | -58.3 | 167.5 | 0 | 0 | 0 | 109.3 | I28 A47 A48 I60 F65 M66 Q71 L72 | I28-I68 HydrophobicContact CD1-CD1 4.26Å; I28-I68 HydrophobicContact CG2-CG2 4.14Å; A47-I68 HydrophobicContact CB-CG2 3.83Å; A48-I68 HydrophobicContact CB-CD1 3.81Å; A48-I68 HydrophobicContact CB-CG1 4.49Å; A48-I68 HydrophobicContact CB-CG2 4.17Å; I60-I68 HydrophobicContact CD1-CD1 3.44Å; I60-I68 VanDerWaalsContact CD1-CD1 3.44Å; F65-I68 WeakPolarHBondContact O-CA 3.45Å; F65-I68 WeakPolarHBondContact O-CB 3.33Å; F65-I68 PolarHBondContact O-N 3.49Å; M66-I68 VanDerWaalsContact C-N 3.27Å; M66-I68 PolarHBondContact O-N 3Å; I68-Q71 PolarHBondContact O-N 3.26Å; I68-L72 HydrophobicContact CG2-CD1 4Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 3.46Å |
| 69 | Y | 97.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.3 | -51.3 | 175 | 178.4 | -104.3 | 0 | 0 | 0 | 111.1 | V2 A3 C8 V32 L35 L37 F65 M66 Q71 L72 T73 | V2-Y69 HydrophobicContact CG1-CE1 3.84Å; A3-Y69 WeakPolarHBondContact CB-OH 3.29Å; A3-Y69 PolarHBondContact N-OH 3.48Å; C8-Y69 VanDerWaalsContact SG-CE1 3.53Å; V32-Y69 HydrophobicContact CG1-CD2 4.1Å; L35-Y69 HydrophobicContact CB-CE2 3.78Å; L35-Y69 HydrophobicContact CD1-CD2 3.87Å; L35-Y69 HydrophobicContact CD1-CE2 3.66Å; L35-Y69 HydrophobicContact CG-CE2 4.35Å; L37-Y69 HydrophobicContact CD1-CD2 3.84Å; L37-Y69 HydrophobicContact CD1-CE2 3.56Å; L37-Y69 HydrophobicContact CG-CE2 3.93Å; F65-Y69 HydrophobicContact CE1-CG 4.4Å; F65-Y69 HydrophobicContact CZ-CD2 4.33Å; F65-Y69 PolarHBondContact O-N 3.28Å; M66-Y69 HydrophobicContact CE-CD1 4.39Å; M66-Y69 PolarHBondContact O-N 3.34Å; Y69-Q71 VanDerWaalsContact C-N 3.27Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Y69-L72 PolarHBondContact O-N 3.36Å; Y69-T73 HydrophobicContact CD1-CG2 4.09Å; Y69-T73 HydrophobicContact CE1-CG2 3.7Å; Y69-T73 HydrophobicContact CE2-CG2 4.25Å; Y69-T73 WeakPolarHBondContact O-CG2 3.49Å; Y69-T73 PolarHBondContact O-N 3.05Å |
| 70 | E | 96.7 | Very high | 94.2 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.5 | -37 | 178.8 | -73.9 | 178.4 | -170.6 | 0 | 0 | 112.8 | M66 T73 K74 | M66-E70 WeakPolarHBondContact O-CG 3.46Å; M66-E70 PolarHBondContact O-N 2.86Å; E70-T73 PolarHBondContact O-OG1 3.27Å; E70-K74 WeakPolarHBondContact O-CE 3.49Å |
| 71 | Q | 96.1 | Very high | 94 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 173.6 | -179 | 176.8 | -25.6 | 0 | 0 | 111.3 | A47 P67 I68 Y69 T73 K74 | A47-Q71 HydrophobicContact CB-CG 4.35Å; P67-Q71 WeakPolarHBondContact O-CB 3.26Å; P67-Q71 PolarHBondContact O-N 3Å; I68-Q71 PolarHBondContact O-N 3.26Å; Y69-Q71 VanDerWaalsContact C-N 3.27Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 2.99Å; Q71-K74 WeakPolarHBondContact O-CB 3.27Å; Q71-K74 PolarHBondContact O-N 3.02Å; Q71-K74 VanDerWaalsContact O-N 3.07Å |
| 72 | L | 96.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 68.6 Ų | 68.6 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -28.6 | -178.8 | -69.1 | 169.9 | 0 | 0 | 0 | 112.9 | V32 L37 P39 M43 V44 A47 I68 Y69 K74 E75 | V32-L72 HydrophobicContact CB-CD1 4.42Å; V32-L72 HydrophobicContact CG1-CD1 3.93Å; V32-L72 HydrophobicContact CG2-CD1 4.27Å; L37-L72 HydrophobicContact CD1-CB 3.9Å; P39-L72 HydrophobicContact CB-CD2 4.05Å; M43-L72 HydrophobicContact CB-CD2 4.06Å; V44-L72 HydrophobicContact CG2-CD1 4.32Å; A47-L72 HydrophobicContact CB-CD2 4Å; A47-L72 HydrophobicContact CB-CG 4.05Å; I68-L72 HydrophobicContact CG2-CD1 4Å; I68-L72 WeakPolarHBondContact O-CG 3.45Å; I68-L72 PolarHBondContact O-N 3.46Å; Y69-L72 PolarHBondContact O-N 3.36Å; L72-K74 PolarHBondContact O-N 2.95Å; L72-E75 HydrophobicContact CD2-CG 4.43Å; L72-E75 PolarHBondContact O-N 3.28Å |
| 73 | T | 95.6 | Very high | 93.7 | Very high | 44 Ų | 44 | 72.3 Ų | 72.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.6 | 173.7 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | V2 L37 Y69 E70 Q71 | V2-T73 HydrophobicContact CG1-CG2 3.63Å; V2-T73 HydrophobicContact CG2-CG2 4.14Å; L37-T73 HydrophobicContact CD1-CG2 3.97Å; L37-T73 HydrophobicContact CD2-CG2 4.29Å; Y69-T73 HydrophobicContact CD1-CG2 4.09Å; Y69-T73 HydrophobicContact CE1-CG2 3.7Å; Y69-T73 HydrophobicContact CE2-CG2 4.25Å; Y69-T73 WeakPolarHBondContact O-CG2 3.49Å; Y69-T73 PolarHBondContact O-N 3.05Å; E70-T73 PolarHBondContact O-OG1 3.27Å; Q71-T73 VanDerWaalsContact C-N 3.29Å; Q71-T73 PolarHBondContact O-N 2.99Å |
| 74 | K | 93.8 | Very high | 93.6 | Very high | 148 Ų | 148 | 70.7 Ų | 70.7 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.7 | -179.4 | -61.3 | 166.4 | -172 | 163.2 | 0 | 112.6 | E70 Q71 L72 K76 | E70-K74 WeakPolarHBondContact O-CE 3.49Å; Q71-K74 WeakPolarHBondContact O-CB 3.27Å; Q71-K74 PolarHBondContact O-N 3.02Å; Q71-K74 VanDerWaalsContact O-N 3.07Å; L72-K74 PolarHBondContact O-N 2.95Å; K74-K76 PolarHBondContact O-N 2.99Å |
| 75 | E | 91.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 68 Ų | 68 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | trans | -70.9 | 123.5 | 178.2 | -67.4 | -66.3 | 179 | 0 | 0 | 110.2 | M43 L72 | M43-E75 HydrophobicContact SD-CB 4.48Å; L72-E75 HydrophobicContact CD2-CG 4.43Å; L72-E75 PolarHBondContact O-N 3.28Å | ||
| 76 | K | 81.3 | Confident | 93.5 | Very high | 196 Ų | 196 | 73.5 Ų | 73.5 | 85% | 0.852 | 36% | 0.364 | S | S | * | . | trans | -98.8 | -14.6 | -177.4 | -62.5 | -174.9 | -179.3 | -178.6 | 0 | 113.1 | K74 V78 | K74-K76 PolarHBondContact O-N 2.99Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 3.38Å | ||
| 77 | E | 82.2 | Confident | 93.3 | Very high | 161 Ų | 161 | 74.2 Ų | 74.2 | 75% | 0.752 | 38% | 0.378 | S | S | * | . | trans | -95.3 | 42.1 | -170.8 | -61.4 | -173.2 | 169 | 0 | 0 | 112.6 | M43 G79 | M43-E77 HydrophobicContact CE-CB 4.09Å; M43-E77 VanDerWaalsContact CE-O 3.28Å; M43-E77 WeakPolarHBondContact CE-O 3.47Å; E77-G79 VanDerWaalsContact C-N 3.3Å; E77-G79 PolarHBondContact O-N 2.75Å | ||
| 78 | V | 82.3 | Confident | 93.3 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 30% | 0.297 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -88.2 | 7 | -178.9 | -64.7 | 0 | 0 | 0 | 0 | 114 | K38 M43 K76 Y84 | K38-V78 HydrophobicContact CB-CB 4.5Å; M43-V78 HydrophobicContact SD-CG1 4.4Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-V78 PolarHBondContact O-N 3.38Å; V78-Y84 PolarHBondContact O-OH 2.78Å |
| 79 | G | 89.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 77.9 Ų | 77.9 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | trans | 74.2 | 139.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E77 | E77-G79 VanDerWaalsContact C-N 3.3Å; E77-G79 PolarHBondContact O-N 2.75Å | ||
| 80 | S | 92.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | trans | -106.7 | 165.3 | 177.2 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | H82 D83 Y84 | S80-H82 PolarHBondContact O-N 3.32Å; S80-H82 VanDerWaalsContact O-N 3.14Å; S80-H82 PolarHBondContact OG-N 2.72Å; S80-D83 WeakPolarHBondContact CA-OD2 3.41Å; S80-D83 VanDerWaalsContact CB-OD2 3.28Å; S80-D83 WeakPolarHBondContact CB-OD2 3.38Å; S80-D83 PolarHBondContact N-OD2 3.3Å; S80-D83 PolarHBondContact O-N 2.67Å; S80-D83 VanDerWaalsContact O-N 3.07Å; S80-D83 PolarHBondContact OG-N 3.13Å; S80-D83 PolarHBondContact OG-OD2 3.01Å; S80-Y84 WeakPolarHBondContact O-CD2 3.46Å; S80-Y84 WeakPolarHBondContact O-CE2 3.46Å; S80-Y84 PolarHBondContact O-N 3.27Å | ||
| 81 | Y | 95 | Very high | 93 | Very high | 73 Ų | 73 | 80.9 Ų | 80.9 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -48.4 | -40.8 | 171.6 | 174.2 | -97.4 | 0 | 0 | 0 | 112.3 | Y84 L85 I140 K141 L144 | Y81-Y84 PolarHBondContact O-N 2.94Å; Y81-L85 HydrophobicContact CE1-CD2 4.11Å; Y81-L85 WeakPolarHBondContact O-CB 3.34Å; Y81-L85 PolarHBondContact O-N 2.94Å; Y81-I140 HydrophobicContact CD2-CB 4.28Å; Y81-I140 HydrophobicContact CD2-CG2 3.49Å; Y81-I140 VanDerWaalsContact CD2-CG2 3.49Å; Y81-I140 HydrophobicContact CE2-CB 4.09Å; Y81-I140 HydrophobicContact CE2-CG2 3.81Å; Y81-I140 HydrophobicContact CG-CG2 4.5Å; Y81-K141 HydrophobicContact CD2-CG 4.4Å; Y81-K141 HydrophobicContact CE2-CG 3.78Å; Y81-L144 HydrophobicContact CD2-CD1 4.16Å |
| 82 | H | 95.5 | Very high | 93.1 | Very high | 104 Ų | 104 | 77.7 Ų | 77.7 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.9 | -40.1 | -178.3 | -168.1 | 47 | 0 | 0 | 0 | 112.1 | S80 Y84 L85 E86 | S80-H82 PolarHBondContact O-N 3.32Å; S80-H82 VanDerWaalsContact O-N 3.14Å; S80-H82 PolarHBondContact OG-N 2.72Å; H82-Y84 VanDerWaalsContact C-N 3.32Å; H82-Y84 PolarHBondContact O-N 2.66Å; H82-L85 WeakPolarHBondContact O-CB 3.39Å; H82-L85 PolarHBondContact O-N 2.81Å; H82-E86 IonicContact CE1-OE1 3.52Å; H82-E86 IonicContact NE2-OE1 3.35Å; H82-E86 PolarHBondContact NE2-OE1 3.05Å; H82-E86 WeakPolarHBondContact O-CG 3.43Å; H82-E86 PolarHBondContact O-N 3.17Å |
| 83 | D | 95.3 | Very high | 93 | Very high | 86 Ų | 86 | 84.8 Ų | 84.8 | 46% | 0.46 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.3 | -56 | -49.1 | 0 | 0 | 0 | 111.1 | S80 G87 | S80-D83 WeakPolarHBondContact CA-OD2 3.41Å; S80-D83 VanDerWaalsContact CB-OD2 3.28Å; S80-D83 WeakPolarHBondContact CB-OD2 3.38Å; S80-D83 PolarHBondContact N-OD2 3.3Å; S80-D83 PolarHBondContact O-N 2.67Å; S80-D83 VanDerWaalsContact O-N 3.07Å; S80-D83 PolarHBondContact OG-N 3.13Å; S80-D83 PolarHBondContact OG-OD2 3.01Å; D83-G87 PolarHBondContact O-N 3.15Å |
| 84 | Y | 96 | Very high | 92.9 | Very high | 96 Ų | 96 | 90 Ų | 90 | 38% | 0.376 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 176.6 | -58.7 | -57.3 | 0 | 0 | 0 | 112.3 | V78 S80 Y81 H82 G87 L88 I140 L144 | V78-Y84 PolarHBondContact O-OH 2.78Å; S80-Y84 WeakPolarHBondContact O-CD2 3.46Å; S80-Y84 WeakPolarHBondContact O-CE2 3.46Å; S80-Y84 PolarHBondContact O-N 3.27Å; Y81-Y84 PolarHBondContact O-N 2.94Å; H82-Y84 VanDerWaalsContact C-N 3.32Å; H82-Y84 PolarHBondContact O-N 2.66Å; Y84-G87 PolarHBondContact O-N 3.46Å; Y84-L88 WeakPolarHBondContact O-CG 3.38Å; Y84-L88 PolarHBondContact O-N 3.03Å; Y84-I140 HydrophobicContact CD2-CG2 4.32Å; Y84-L144 HydrophobicContact CD2-CD1 4.35Å; Y84-L144 HydrophobicContact CD2-CD2 4.35Å; Y84-L144 HydrophobicContact CE2-CD2 3.97Å |
| 85 | L | 96.7 | Very high | 93 | Very high | 33 Ų | 33 | 89.7 Ų | 89.7 | 17% | 0.173 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62 | -49.4 | 178.1 | -173.4 | 74.5 | 0 | 0 | 0 | 111.4 | Y81 H82 G87 L88 R89 Y136 E137 I140 | Y81-L85 HydrophobicContact CE1-CD2 4.11Å; Y81-L85 WeakPolarHBondContact O-CB 3.34Å; Y81-L85 PolarHBondContact O-N 2.94Å; H82-L85 WeakPolarHBondContact O-CB 3.39Å; H82-L85 PolarHBondContact O-N 2.81Å; L85-G87 VanDerWaalsContact C-N 3.31Å; L85-G87 PolarHBondContact O-N 3.34Å; L85-L88 PolarHBondContact O-N 3.23Å; L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 PolarHBondContact O-N 2.94Å; L85-Y136 HydrophobicContact CD1-CD2 3.9Å; L85-Y136 HydrophobicContact CD1-CE2 3.54Å; L85-Y136 HydrophobicContact CG-CE2 4.44Å; L85-E137 HydrophobicContact CD1-CG 3.6Å; L85-I140 HydrophobicContact CB-CD1 4.32Å; L85-I140 HydrophobicContact CD1-CD1 4.33Å |
| 86 | E | 96.2 | Very high | 93.2 | Very high | 114 Ų | 114 | 91.6 Ų | 91.6 | 53% | 0.533 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177 | -68.8 | -164.2 | 147.4 | 0 | 0 | 111.3 | H82 L88 R89 | H82-E86 IonicContact CE1-OE1 3.52Å; H82-E86 IonicContact NE2-OE1 3.35Å; H82-E86 PolarHBondContact NE2-OE1 3.05Å; H82-E86 WeakPolarHBondContact O-CG 3.43Å; H82-E86 PolarHBondContact O-N 3.17Å; E86-L88 PolarHBondContact O-N 3.44Å; E86-R89 PolarHBondContact O-N 3.33Å |
| 87 | G | 95.1 | Very high | 94 | Very high | 39 Ų | 39 | 82.9 Ų | 82.9 | 40% | 0.402 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D83 Y84 L85 V90 | D83-G87 PolarHBondContact O-N 3.15Å; Y84-G87 PolarHBondContact O-N 3.46Å; L85-G87 VanDerWaalsContact C-N 3.31Å; L85-G87 PolarHBondContact O-N 3.34Å; G87-V90 WeakPolarHBondContact O-CG2 3.48Å |
| 88 | L | 96.7 | Very high | 94.7 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 13% | 0.131 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -83.7 | -25.6 | 178.2 | -68.5 | -173.8 | 0 | 0 | 0 | 113.3 | Y84 L85 E86 V90 F91 I99 L104 Y136 I140 | Y84-L88 WeakPolarHBondContact O-CG 3.38Å; Y84-L88 PolarHBondContact O-N 3.03Å; L85-L88 PolarHBondContact O-N 3.23Å; E86-L88 PolarHBondContact O-N 3.44Å; L88-V90 PolarHBondContact O-N 2.97Å; L88-V90 VanDerWaalsContact O-N 3.14Å; L88-F91 HydrophobicContact CD2-CD2 4.37Å; L88-F91 HydrophobicContact CD2-CE2 4.47Å; L88-F91 WeakPolarHBondContact O-CB 3.46Å; L88-F91 PolarHBondContact O-N 3.16Å; L88-I99 HydrophobicContact CB-CD1 4.48Å; L88-I99 HydrophobicContact CD1-CD1 4.39Å; L88-I99 HydrophobicContact CD2-CD1 4.16Å; L88-L104 HydrophobicContact CD2-CD1 3.62Å; L88-Y136 HydrophobicContact CB-CD2 4.01Å; L88-Y136 HydrophobicContact CB-CG 4.17Å; L88-I140 HydrophobicContact CD1-CD1 3.93Å; L88-I140 HydrophobicContact CD1-CG1 3.9Å |
| 89 | R | 96.4 | Very high | 95.5 | Very high | 140 Ų | 140 | 76.7 Ų | 76.7 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.4 | -27.5 | 178.1 | -172.3 | 175.5 | 180 | 171.7 | 1.7 | 113 | L85 E86 F91 D92 E95 | L85-R89 WeakPolarHBondContact O-CB 3.3Å; L85-R89 PolarHBondContact O-N 2.94Å; E86-R89 PolarHBondContact O-N 3.33Å; R89-F91 PolarHBondContact O-N 3.3Å; R89-F91 VanDerWaalsContact O-N 3.15Å; R89-D92 PolarHBondContact O-N 3.14Å; R89-E95 IonicContact NH2-OE1 2.76Å; R89-E95 PolarHBondContact NH2-OE1 3.29Å |
| 90 | V | 95.3 | Very high | 95.9 | Very high | 110 Ų | 110 | 78.3 Ų | 78.3 | 67% | 0.667 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.8 | 177.1 | -51.3 | 0 | 0 | 0 | 0 | 113.5 | G87 L88 | G87-V90 WeakPolarHBondContact O-CG2 3.48Å; L88-V90 PolarHBondContact O-N 2.97Å; L88-V90 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 95.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 75.7 Ų | 75.7 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -21.6 | 175.8 | -64 | -89.2 | 0 | 0 | 0 | 112.6 | L88 R89 K93 I99 E103 S107 | L88-F91 HydrophobicContact CD2-CD2 4.37Å; L88-F91 HydrophobicContact CD2-CE2 4.47Å; L88-F91 WeakPolarHBondContact O-CB 3.46Å; L88-F91 PolarHBondContact O-N 3.16Å; R89-F91 PolarHBondContact O-N 3.3Å; R89-F91 VanDerWaalsContact O-N 3.15Å; F91-K93 PolarHBondContact O-N 2.77Å; F91-I99 HydrophobicContact CB-CB 4.11Å; F91-I99 HydrophobicContact CB-CG2 3.6Å; F91-E103 HydrophobicContact CD1-CB 4.17Å; F91-S107 VanDerWaalsContact CZ-OG 3.29Å; F91-S107 WeakPolarHBondContact CZ-OG 3.25Å |
| 92 | D | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 75.1 Ų | 75.1 | 6% | 0.059 | 38% | 0.378 | C | S | . | . | trans | -82.8 | 81.2 | -178.8 | -177 | 9 | 0 | 0 | 0 | 111.2 | R89 E94 E95 N96 G97 I99 Y136 | R89-D92 PolarHBondContact O-N 3.14Å; D92-E94 PolarHBondContact O-N 3.4Å; D92-E94 PolarHBondContact OD1-N 3.48Å; D92-E95 PolarHBondContact O-N 3.41Å; D92-E95 WeakPolarHBondContact OD1-CA 3.29Å; D92-E95 PolarHBondContact OD1-N 3.4Å; D92-E95 WeakPolarHBondContact OD2-CA 3.49Å; D92-N96 PolarHBondContact OD1-N 2.94Å; D92-N96 PolarHBondContact OD2-N 2.92Å; D92-G97 WeakPolarHBondContact OD2-CA 3.36Å; D92-G97 PolarHBondContact OD2-N 3.33Å; D92-I99 HydrophobicContact CB-CG2 3.98Å; D92-Y136 HydrophobicContact CB-CE1 3.75Å; D92-Y136 PolarHBondContact OD2-OH 3.16Å | ||
| 93 | K | 93.7 | Very high | 96.2 | Very high | 156 Ų | 156 | 73.2 Ų | 73.2 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.9 | -178.6 | -63.5 | 173.6 | -172.1 | 155.6 | 0 | 113.4 | F91 E103 | F91-K93 PolarHBondContact O-N 2.77Å; K93-E103 IonicContact NZ-OE1 3.05Å |
| 94 | E | 94.8 | Very high | 96.3 | Very high | 153 Ų | 153 | 69.5 Ų | 69.5 | 72% | 0.715 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -1.9 | -175.1 | -57.2 | -61.5 | 139 | 0 | 0 | 112.4 | D92 N96 | D92-E94 PolarHBondContact O-N 3.4Å; D92-E94 PolarHBondContact OD1-N 3.48Å; E94-N96 PolarHBondContact O-N 2.89Å |
| 95 | E | 95.6 | Very high | 96.4 | Very high | 143 Ų | 143 | 68 Ų | 68 | 67% | 0.668 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 50 | 39.9 | -176.2 | -57.7 | -161.3 | 125.2 | 0 | 0 | 113.6 | R89 D92 | R89-E95 IonicContact NH2-OE1 2.76Å; R89-E95 PolarHBondContact NH2-OE1 3.29Å; D92-E95 PolarHBondContact O-N 3.41Å; D92-E95 WeakPolarHBondContact OD1-CA 3.29Å; D92-E95 PolarHBondContact OD1-N 3.4Å; D92-E95 WeakPolarHBondContact OD2-CA 3.49Å |
| 96 | N | 96.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -107.9 | 5.6 | -176.5 | 70.8 | 19.3 | 0 | 0 | 0 | 113.9 | D92 E94 K98 | D92-N96 PolarHBondContact OD1-N 2.94Å; D92-N96 PolarHBondContact OD2-N 2.92Å; E94-N96 PolarHBondContact O-N 2.89Å; N96-K98 VanDerWaalsContact C-N 3.33Å; N96-K98 WeakPolarHBondContact OD1-CA 3.32Å; N96-K98 VanDerWaalsContact OD1-CB 3.29Å; N96-K98 WeakPolarHBondContact OD1-CB 3.43Å; N96-K98 PolarHBondContact OD1-N 3.21Å |
| 97 | G | 97.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 68.2 Ų | 68.2 | 13% | 0.134 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 80.6 | 10.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D92 N135 Y136 | D92-G97 WeakPolarHBondContact OD2-CA 3.36Å; D92-G97 PolarHBondContact OD2-N 3.33Å; G97-N135 WeakPolarHBondContact O-CA 3.28Å; G97-Y136 VanDerWaalsContact C-CD1 3.44Å; G97-Y136 WeakPolarHBondContact O-CD1 3.21Å; G97-Y136 WeakPolarHBondContact O-CE1 3.35Å; G97-Y136 PolarHBondContact O-N 2.72Å |
| 98 | K | 98 | Very high | 96.5 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 34% | 0.335 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.9 | -179.6 | -57.5 | -174.8 | 174.4 | -167.1 | 0 | 113 | N96 D129 M133 I134 | N96-K98 VanDerWaalsContact C-N 3.33Å; N96-K98 WeakPolarHBondContact OD1-CA 3.32Å; N96-K98 VanDerWaalsContact OD1-CB 3.29Å; N96-K98 WeakPolarHBondContact OD1-CB 3.43Å; N96-K98 PolarHBondContact OD1-N 3.21Å; K98-D129 IonicContact NZ-OD2 3.65Å; K98-D129 PolarHBondContact NZ-OD2 3.28Å; K98-M133 HydrophobicContact CB-CB 4.33Å; K98-M133 HydrophobicContact CB-CE 3.96Å; K98-M133 HydrophobicContact CD-CB 4.13Å; K98-I134 CarbonylContact C-O 3.59Å; K98-I134 WeakPolarHBondContact CA-O 3.33Å |
| 99 | I | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155.1 | 175.3 | 61.3 | 177.9 | 0 | 0 | 0 | 110.1 | L88 F91 D92 G101 L104 M133 I134 Y136 | L88-I99 HydrophobicContact CB-CD1 4.48Å; L88-I99 HydrophobicContact CD1-CD1 4.39Å; L88-I99 HydrophobicContact CD2-CD1 4.16Å; F91-I99 HydrophobicContact CB-CB 4.11Å; F91-I99 HydrophobicContact CB-CG2 3.6Å; D92-I99 HydrophobicContact CB-CG2 3.98Å; I99-G101 PolarHBondContact O-N 2.95Å; I99-L104 HydrophobicContact CD1-CB 4.06Å; I99-L104 HydrophobicContact CD1-CD1 4.49Å; I99-L104 HydrophobicContact CD1-CD2 4.15Å; I99-L104 HydrophobicContact CD1-CG 4.45Å; I99-M133 CarbonylContact O-C 3.58Å; I99-M133 WeakPolarHBondContact O-CA 3.43Å; I99-I134 HydrophobicContact CG1-CB 4.28Å; I99-I134 PolarHBondContact N-O 3.41Å; I99-I134 PolarHBondContact O-N 3.19Å; I99-Y136 HydrophobicContact CG2-CD1 3.78Å; I99-Y136 HydrophobicContact CG2-CE1 4.25Å |
| 100 | L | 97.4 | Very high | 96.6 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.3 | 176.9 | -170.1 | 68.7 | 0 | 0 | 0 | 109.2 | A102 E103 L104 M133 | L100-A102 HydrophobicContact CD2-CB 4.07Å; L100-A102 HydrophobicContact CG-CB 4.13Å; L100-A102 PolarHBondContact O-N 3.39Å; L100-A102 VanDerWaalsContact O-N 3.12Å; L100-E103 HydrophobicContact CB-CB 4.44Å; L100-E103 HydrophobicContact CB-CG 4.12Å; L100-E103 HydrophobicContact CD2-CG 4.3Å; L100-E103 WeakPolarHBondContact O-CB 3.21Å; L100-E103 PolarHBondContact O-N 3.01Å; L100-L104 PolarHBondContact O-N 3.07Å; L100-M133 HydrophobicContact CB-SD 4.32Å; L100-M133 HydrophobicContact CD1-SD 3.74Å |
| 101 | G | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -32.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I99 E103 L104 R105 F124 G132 | I99-G101 PolarHBondContact O-N 2.95Å; G101-E103 VanDerWaalsContact C-N 3.34Å; G101-E103 PolarHBondContact O-N 3.35Å; G101-L104 PolarHBondContact O-N 3.13Å; G101-R105 VanDerWaalsContact O-CB 3.31Å; G101-R105 WeakPolarHBondContact O-CB 3.48Å; G101-R105 PolarHBondContact O-N 3.44Å; G101-F124 VanDerWaalsContact O-CE2 3.25Å; G101-F124 WeakPolarHBondContact O-CE2 3.22Å; G101-G132 PolarHBondContact N-O 3.47Å |
| 102 | A | 96.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 66 Ų | 66 | 50% | 0.496 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L100 H106 | L100-A102 HydrophobicContact CD2-CB 4.07Å; L100-A102 HydrophobicContact CG-CB 4.13Å; L100-A102 PolarHBondContact O-N 3.39Å; L100-A102 VanDerWaalsContact O-N 3.12Å; A102-H106 WeakPolarHBondContact O-CB 3.29Å; A102-H106 PolarHBondContact O-N 3.02Å |
| 103 | E | 96 | Very high | 96.3 | Very high | 65 Ų | 65 | 69.5 Ų | 69.5 | 30% | 0.304 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70 | -42 | 177.2 | -70.1 | 178.6 | 140.3 | 0 | 0 | 111 | F91 K93 L100 G101 H106 S107 | F91-E103 HydrophobicContact CD1-CB 4.17Å; K93-E103 IonicContact NZ-OE1 3.05Å; L100-E103 HydrophobicContact CB-CB 4.44Å; L100-E103 HydrophobicContact CB-CG 4.12Å; L100-E103 HydrophobicContact CD2-CG 4.3Å; L100-E103 WeakPolarHBondContact O-CB 3.21Å; L100-E103 PolarHBondContact O-N 3.01Å; G101-E103 VanDerWaalsContact C-N 3.34Å; G101-E103 PolarHBondContact O-N 3.35Å; E103-H106 PolarHBondContact O-N 3.36Å; E103-S107 PolarHBondContact O-N 2.95Å; E103-S107 VanDerWaalsContact O-N 3.08Å; E103-S107 PolarHBondContact O-OG 3.07Å |
| 104 | L | 97 | Very high | 96.4 | Very high | 7 Ų | 7 | 70.7 Ų | 70.7 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 175.3 | -179.8 | 59.3 | 0 | 0 | 0 | 111.2 | L88 I99 L100 G101 H106 S107 L108 F124 I134 F139 | L88-L104 HydrophobicContact CD2-CD1 3.62Å; I99-L104 HydrophobicContact CD1-CB 4.06Å; I99-L104 HydrophobicContact CD1-CD1 4.49Å; I99-L104 HydrophobicContact CD1-CD2 4.15Å; I99-L104 HydrophobicContact CD1-CG 4.45Å; L100-L104 PolarHBondContact O-N 3.07Å; G101-L104 PolarHBondContact O-N 3.13Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.38Å; L104-S107 WeakPolarHBondContact O-CB 3.31Å; L104-S107 PolarHBondContact O-N 3.03Å; L104-S107 VanDerWaalsContact O-N 3.09Å; L104-L108 HydrophobicContact CD1-CD1 4.24Å; L104-L108 HydrophobicContact CD1-CG 4.15Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 HydrophobicContact CG-CG 4.36Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.33Å; L104-F124 HydrophobicContact CB-CZ 3.95Å; L104-F124 HydrophobicContact CD2-CE1 3.8Å; L104-F124 HydrophobicContact CD2-CZ 3.8Å; L104-F124 HydrophobicContact CG-CE1 4.09Å; L104-F124 HydrophobicContact CG-CZ 3.77Å; L104-I134 HydrophobicContact CD2-CD1 3.96Å; L104-F139 HydrophobicContact CD2-CD1 4.15Å; L104-F139 HydrophobicContact CD2-CE1 3.73Å; L104-F139 HydrophobicContact CD2-CZ 4.1Å |
| 105 | R | 97.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 65.8 Ų | 65.8 | 25% | 0.249 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.4 | -48.6 | 176.5 | 173.4 | -177.7 | -65 | -86.1 | 6.1 | 110.9 | G101 S107 L108 L109 V120 D121 F124 | G101-R105 VanDerWaalsContact O-CB 3.31Å; G101-R105 WeakPolarHBondContact O-CB 3.48Å; G101-R105 PolarHBondContact O-N 3.44Å; R105-S107 VanDerWaalsContact C-N 3.26Å; R105-S107 PolarHBondContact O-N 3.29Å; R105-L108 PolarHBondContact O-N 2.92Å; R105-L109 HydrophobicContact CG-CD1 3.82Å; R105-L109 HydrophobicContact CG-CG 4.42Å; R105-L109 VanDerWaalsContact O-CG 3.27Å; R105-L109 WeakPolarHBondContact O-CG 3.28Å; R105-L109 PolarHBondContact O-N 3.31Å; R105-V120 HydrophobicContact CB-CG1 4.22Å; R105-V120 HydrophobicContact CG-CG1 3.99Å; R105-D121 IonicContact CZ-OD1 2.67Å; R105-D121 IonicContact NH1-OD1 2.75Å; R105-D121 PolarHBondContact NH1-OD1 2.83Å; R105-D121 IonicContact NH2-OD1 2.66Å; R105-D121 PolarHBondContact NH2-OD1 2.93Å; R105-F124 HydrophobicContact CB-CE2 3.81Å; R105-F124 HydrophobicContact CB-CZ 4.02Å |
| 106 | H | 97.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 65 Ų | 65 | 61% | 0.611 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.8 | -43.1 | 178.1 | -178.5 | 69.4 | 0 | 0 | 0 | 111.6 | A102 E103 L104 L109 A110 | A102-H106 WeakPolarHBondContact O-CB 3.29Å; A102-H106 PolarHBondContact O-N 3.02Å; E103-H106 PolarHBondContact O-N 3.36Å; L104-H106 VanDerWaalsContact C-N 3.32Å; L104-H106 PolarHBondContact O-N 3.38Å; H106-L109 PolarHBondContact O-N 2.84Å; H106-A110 WeakPolarHBondContact O-CB 3.5Å; H106-A110 PolarHBondContact O-N 2.91Å |
| 107 | S | 96.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | F91 E103 L104 R105 L109 A110 L111 | F91-S107 VanDerWaalsContact CZ-OG 3.29Å; F91-S107 WeakPolarHBondContact CZ-OG 3.25Å; E103-S107 PolarHBondContact O-N 2.95Å; E103-S107 VanDerWaalsContact O-N 3.08Å; E103-S107 PolarHBondContact O-OG 3.07Å; L104-S107 WeakPolarHBondContact O-CB 3.31Å; L104-S107 PolarHBondContact O-N 3.03Å; L104-S107 VanDerWaalsContact O-N 3.09Å; R105-S107 VanDerWaalsContact C-N 3.26Å; R105-S107 PolarHBondContact O-N 3.29Å; S107-L109 VanDerWaalsContact C-N 3.29Å; S107-L109 PolarHBondContact O-N 2.97Å; S107-A110 PolarHBondContact O-N 3.46Å; S107-L111 WeakPolarHBondContact O-CB 3.36Å; S107-L111 PolarHBondContact O-N 3.23Å |
| 108 | L | 97 | Very high | 96.6 | Very high | 45 Ų | 45 | 69.1 Ų | 69.1 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -30 | -179.9 | -65.9 | 172.8 | 0 | 0 | 0 | 113.3 | L104 R105 M115 V120 I123 F124 | L104-L108 HydrophobicContact CD1-CD1 4.24Å; L104-L108 HydrophobicContact CD1-CG 4.15Å; L104-L108 HydrophobicContact CG-CD1 4Å; L104-L108 HydrophobicContact CG-CG 4.36Å; L104-L108 WeakPolarHBondContact O-CG 3.49Å; L104-L108 PolarHBondContact O-N 3.33Å; R105-L108 PolarHBondContact O-N 2.92Å; L108-M115 HydrophobicContact CB-SD 4.19Å; L108-M115 HydrophobicContact CD1-SD 4.36Å; L108-M115 HydrophobicContact CD2-SD 4.1Å; L108-M115 HydrophobicContact CG-SD 4.45Å; L108-M115 PolarHBondContact O-N 3.38Å; L108-V120 HydrophobicContact CB-CG2 3.94Å; L108-V120 HydrophobicContact CD1-CG1 4.22Å; L108-V120 HydrophobicContact CD1-CG2 4.38Å; L108-I123 HydrophobicContact CD1-CD1 3.98Å; L108-F124 HydrophobicContact CD1-CE1 3.87Å; L108-F124 HydrophobicContact CD1-CZ 4.33Å |
| 109 | L | 97.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 69.6 Ų | 69.6 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -83.7 | -26.5 | 177.8 | -64.9 | 176.9 | 0 | 0 | 0 | 113.4 | R105 H106 S107 R114 M115 V120 | R105-L109 HydrophobicContact CG-CD1 3.82Å; R105-L109 HydrophobicContact CG-CG 4.42Å; R105-L109 VanDerWaalsContact O-CG 3.27Å; R105-L109 WeakPolarHBondContact O-CG 3.28Å; R105-L109 PolarHBondContact O-N 3.31Å; H106-L109 PolarHBondContact O-N 2.84Å; S107-L109 VanDerWaalsContact C-N 3.29Å; S107-L109 PolarHBondContact O-N 2.97Å; L109-R114 WeakPolarHBondContact O-CD 3.38Å; L109-R114 WeakPolarHBondContact O-CG 3.41Å; L109-M115 VanDerWaalsContact CD2-O 3.26Å; L109-M115 WeakPolarHBondContact CD2-O 3.33Å; L109-V120 HydrophobicContact CD2-CG2 3.74Å; L109-V120 HydrophobicContact CG-CG2 4.23Å |
| 110 | A | 96.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -106.3 | -35.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H106 S107 R114 | H106-A110 WeakPolarHBondContact O-CB 3.5Å; H106-A110 PolarHBondContact O-N 2.91Å; S107-A110 PolarHBondContact O-N 3.46Å; A110-R114 PolarHBondContact O-NE 2.92Å; A110-R114 VanDerWaalsContact O-NE 3.13Å |
| 111 | L | 94.8 | Very high | 96.5 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 61% | 0.607 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -106.4 | 154.9 | -167.5 | -54.1 | 179.6 | 0 | 0 | 0 | 111.9 | S107 | S107-L111 WeakPolarHBondContact O-CB 3.36Å; S107-L111 PolarHBondContact O-N 3.23Å |
| 112 | G | 93.8 | Very high | 96.4 | Very high | 77 Ų | 77 | 76.9 Ų | 76.9 | 79% | 0.794 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 60.7 | -139.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R114 | G112-R114 PolarHBondContact O-N 2.95Š|
| 113 | E | 93.7 | Very high | 96.2 | Very high | 83 Ų | 83 | 76.5 Ų | 76.5 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -79.7 | 97.9 | 168.4 | -64.7 | -170.1 | 163.9 | 0 | 0 | 108.6 | T40 N41 A42 | T40-E113 WeakPolarHBondContact CA-OE2 3.44Å; T40-E113 WeakPolarHBondContact CB-OE1 3.35Å; T40-E113 WeakPolarHBondContact CB-OE2 2.95Å; N41-E113 WeakPolarHBondContact CA-OE1 3.32Å; N41-E113 WeakPolarHBondContact CB-OE1 3.4Å; N41-E113 PolarHBondContact N-OE1 3.39Å; N41-E113 PolarHBondContact N-OE2 3.48Å; A42-E113 PolarHBondContact N-OE1 3.49Å |
| 114 | R | 95.7 | Very high | 96.2 | Very high | 181 Ų | 181 | 73.7 Ų | 73.7 | 68% | 0.683 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -64 | 136.1 | -171.2 | -59.8 | 176.6 | -174.8 | 160.7 | 4.5 | 111.3 | L109 A110 G112 | L109-R114 WeakPolarHBondContact O-CD 3.38Å; L109-R114 WeakPolarHBondContact O-CG 3.41Å; A110-R114 PolarHBondContact O-NE 2.92Å; A110-R114 VanDerWaalsContact O-NE 3.13Å; G112-R114 PolarHBondContact O-N 2.95Å |
| 115 | M | 96.9 | Very high | 96.1 | Very high | 50 Ų | 50 | 80.4 Ų | 80.4 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 157.1 | 170.7 | -63.4 | -178.9 | 65.7 | 0 | 0 | 111.2 | L108 L109 E119 V120 I123 | L108-M115 HydrophobicContact CB-SD 4.19Å; L108-M115 HydrophobicContact CD1-SD 4.36Å; L108-M115 HydrophobicContact CD2-SD 4.1Å; L108-M115 HydrophobicContact CG-SD 4.45Å; L108-M115 PolarHBondContact O-N 3.38Å; L109-M115 VanDerWaalsContact CD2-O 3.26Å; L109-M115 WeakPolarHBondContact CD2-O 3.33Å; M115-E119 WeakPolarHBondContact CA-OE2 3.34Å; M115-E119 HydrophobicContact CB-CB 4.44Å; M115-E119 HydrophobicContact CE-CB 3.5Å; M115-E119 VanDerWaalsContact CE-CB 3.5Å; M115-V120 HydrophobicContact CB-CG2 3.71Å; M115-V120 HydrophobicContact CE-CG2 4.16Å; M115-V120 HydrophobicContact SD-CG2 4.16Å; M115-I123 HydrophobicContact CE-CD1 3.87Å; M115-I123 HydrophobicContact CE-CG1 4.43Å; M115-I123 HydrophobicContact SD-CD1 4.19Å |
| 116 | H | 96.6 | Very high | 95.9 | Very high | 126 Ų | 126 | 80.9 Ų | 80.9 | 58% | 0.583 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 156.3 | 165.1 | -62.3 | -66.4 | 0 | 0 | 0 | 110.6 | E118 E119 V120 | H116-E118 PolarHBondContact O-N 3.3Å; H116-E119 HydrophobicContact CB-CG 4.13Å; H116-E119 IonicContact CD2-OE2 2.63Å; H116-E119 PolarHBondContact CD2-OE2 3.08Å; H116-E119 IonicContact CG-OE2 3.14Å; H116-E119 PolarHBondContact N-OE2 3.12Å; H116-E119 PolarHBondContact O-N 2.94Å; H116-V120 WeakPolarHBondContact O-CG2 3.44Å; H116-V120 PolarHBondContact O-N 3.45Å; H116-V120 VanDerWaalsContact O-N 3.13Å |
| 117 | S | 97.3 | Very high | 95.8 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -36.3 | -176.3 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | V120 D121 | S117-V120 PolarHBondContact O-N 2.86Å; S117-D121 VanDerWaalsContact O-CG 3.24Å; S117-D121 PolarHBondContact O-N 3.49Å |
| 118 | E | 97.7 | Very high | 95.8 | Very high | 136 Ų | 136 | 79 Ų | 79 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 177.1 | -59.8 | 77.2 | -172.1 | 0 | 0 | 111.6 | H116 V120 D121 E122 | H116-E118 PolarHBondContact O-N 3.3Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.41Å; E118-D121 PolarHBondContact O-N 3.05Å; E118-E122 PolarHBondContact O-N 3.23Å |
| 119 | E | 96.2 | Very high | 95.7 | Very high | 87 Ų | 87 | 79.2 Ų | 79.2 | 41% | 0.407 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 177 | -61.4 | 173.9 | 132.4 | 0 | 0 | 111.2 | M115 H116 I123 | M115-E119 WeakPolarHBondContact CA-OE2 3.34Å; M115-E119 HydrophobicContact CB-CB 4.44Å; M115-E119 HydrophobicContact CE-CB 3.5Å; M115-E119 VanDerWaalsContact CE-CB 3.5Å; H116-E119 HydrophobicContact CB-CG 4.13Å; H116-E119 IonicContact CD2-OE2 2.63Å; H116-E119 PolarHBondContact CD2-OE2 3.08Å; H116-E119 IonicContact CG-OE2 3.14Å; H116-E119 PolarHBondContact N-OE2 3.12Å; H116-E119 PolarHBondContact O-N 2.94Å; E119-I123 PolarHBondContact O-N 3.41Å |
| 120 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | R105 L108 L109 M115 H116 S117 E118 E122 I123 F124 | R105-V120 HydrophobicContact CB-CG1 4.22Å; R105-V120 HydrophobicContact CG-CG1 3.99Å; L108-V120 HydrophobicContact CB-CG2 3.94Å; L108-V120 HydrophobicContact CD1-CG1 4.22Å; L108-V120 HydrophobicContact CD1-CG2 4.38Å; L109-V120 HydrophobicContact CD2-CG2 3.74Å; L109-V120 HydrophobicContact CG-CG2 4.23Å; M115-V120 HydrophobicContact CB-CG2 3.71Å; M115-V120 HydrophobicContact CE-CG2 4.16Å; M115-V120 HydrophobicContact SD-CG2 4.16Å; H116-V120 WeakPolarHBondContact O-CG2 3.44Å; H116-V120 PolarHBondContact O-N 3.45Å; H116-V120 VanDerWaalsContact O-N 3.13Å; S117-V120 PolarHBondContact O-N 2.86Å; E118-V120 VanDerWaalsContact C-N 3.32Å; E118-V120 PolarHBondContact O-N 3.41Å; V120-E122 VanDerWaalsContact C-N 3.34Å; V120-I123 WeakPolarHBondContact O-CG1 3.5Å; V120-I123 PolarHBondContact O-N 3.09Å; V120-F124 HydrophobicContact CG1-CD1 4.07Å; V120-F124 HydrophobicContact CG1-CD2 4.46Å; V120-F124 HydrophobicContact CG1-CE1 3.9Å; V120-F124 HydrophobicContact CG1-CE2 4.32Å; V120-F124 HydrophobicContact CG1-CG 4.33Å; V120-F124 HydrophobicContact CG1-CZ 4.02Å; V120-F124 WeakPolarHBondContact O-CB 3.39Å; V120-F124 WeakPolarHBondContact O-CD1 3.46Å; V120-F124 WeakPolarHBondContact O-CG 3.31Å; V120-F124 PolarHBondContact O-N 2.94Å |
| 121 | D | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 86.6 Ų | 86.6 | 43% | 0.433 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 176.6 | -72.5 | -24.5 | 0 | 0 | 0 | 111.6 | R105 S117 E118 F124 E125 | R105-D121 IonicContact CZ-OD1 2.67Å; R105-D121 IonicContact NH1-OD1 2.75Å; R105-D121 PolarHBondContact NH1-OD1 2.83Å; R105-D121 IonicContact NH2-OD1 2.66Å; R105-D121 PolarHBondContact NH2-OD1 2.93Å; S117-D121 VanDerWaalsContact O-CG 3.24Å; S117-D121 PolarHBondContact O-N 3.49Å; E118-D121 PolarHBondContact O-N 3.05Å; D121-F124 PolarHBondContact O-N 3.19Å; D121-E125 PolarHBondContact O-N 3.18Å; D121-E125 VanDerWaalsContact O-N 3.16Å |
| 122 | E | 95.1 | Very high | 95.6 | Very high | 143 Ų | 143 | 82 Ų | 82 | 67% | 0.668 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.8 | -50.6 | 177.7 | -174.7 | 178.2 | 175.3 | 0 | 0 | 111.7 | E118 V120 F124 E125 | E118-E122 PolarHBondContact O-N 3.23Å; V120-E122 VanDerWaalsContact C-N 3.34Å; E122-F124 VanDerWaalsContact C-N 3.27Å; E122-F124 PolarHBondContact O-N 2.95Å; E122-E125 WeakPolarHBondContact O-CB 3.5Å; E122-E125 PolarHBondContact O-N 3.32Å |
| 123 | I | 94.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 80.6 Ų | 80.6 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72 | -22.6 | -178.9 | 63.5 | 168.6 | 0 | 0 | 0 | 112.6 | L108 M115 E119 V120 E125 N127 F139 | L108-I123 HydrophobicContact CD1-CD1 3.98Å; M115-I123 HydrophobicContact CE-CD1 3.87Å; M115-I123 HydrophobicContact CE-CG1 4.43Å; M115-I123 HydrophobicContact SD-CD1 4.19Å; E119-I123 PolarHBondContact O-N 3.41Å; V120-I123 WeakPolarHBondContact O-CG1 3.5Å; V120-I123 PolarHBondContact O-N 3.09Å; I123-E125 VanDerWaalsContact C-N 3.33Å; I123-N127 PolarHBondContact O-ND2 3.19Å; I123-F139 HydrophobicContact CD1-CZ 3.94Å; I123-F139 HydrophobicContact CG1-CZ 4.28Å; I123-F139 WeakPolarHBondContact O-CE2 3.29Å |
| 124 | F | 95.6 | Very high | 96 | Very high | 6 Ų | 6 | 76.6 Ų | 76.6 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -81 | -14.2 | 177.2 | -84.6 | 29.7 | 0 | 0 | 0 | 113.2 | G101 L104 R105 L108 V120 D121 E122 G126 N127 Q128 I134 F139 | G101-F124 VanDerWaalsContact O-CE2 3.25Å; G101-F124 WeakPolarHBondContact O-CE2 3.22Å; L104-F124 HydrophobicContact CB-CZ 3.95Å; L104-F124 HydrophobicContact CD2-CE1 3.8Å; L104-F124 HydrophobicContact CD2-CZ 3.8Å; L104-F124 HydrophobicContact CG-CE1 4.09Å; L104-F124 HydrophobicContact CG-CZ 3.77Å; R105-F124 HydrophobicContact CB-CE2 3.81Å; R105-F124 HydrophobicContact CB-CZ 4.02Å; L108-F124 HydrophobicContact CD1-CE1 3.87Å; L108-F124 HydrophobicContact CD1-CZ 4.33Å; V120-F124 HydrophobicContact CG1-CD1 4.07Å; V120-F124 HydrophobicContact CG1-CD2 4.46Å; V120-F124 HydrophobicContact CG1-CE1 3.9Å; V120-F124 HydrophobicContact CG1-CE2 4.32Å; V120-F124 HydrophobicContact CG1-CG 4.33Å; V120-F124 HydrophobicContact CG1-CZ 4.02Å; V120-F124 WeakPolarHBondContact O-CB 3.39Å; V120-F124 WeakPolarHBondContact O-CD1 3.46Å; V120-F124 WeakPolarHBondContact O-CG 3.31Å; V120-F124 PolarHBondContact O-N 2.94Å; D121-F124 PolarHBondContact O-N 3.19Å; E122-F124 VanDerWaalsContact C-N 3.27Å; E122-F124 PolarHBondContact O-N 2.95Å; F124-G126 PolarHBondContact O-N 2.83Å; F124-G126 VanDerWaalsContact O-N 3.16Å; F124-N127 WeakPolarHBondContact O-CB 3.4Å; F124-N127 PolarHBondContact O-N 2.75Å; F124-Q128 HydrophobicContact CD2-CG 4.44Å; F124-I134 HydrophobicContact CD1-CD1 4.33Å; F124-I134 HydrophobicContact CD2-CD1 4.06Å; F124-I134 HydrophobicContact CE1-CD1 4.05Å; F124-I134 HydrophobicContact CE2-CD1 3.73Å; F124-I134 HydrophobicContact CG-CD1 4.37Å; F124-I134 HydrophobicContact CZ-CD1 3.74Å; F124-F139 AromaticContact CD1-CE2 3.99Å; F124-F139 HydrophobicContact CD1-CE2 3.99Å; F124-F139 HydrophobicContact CD1-CZ 4.02Å; F124-F139 HydrophobicContact CE1-CE2 4.26Å; F124-F139 AromaticContact CE1-CZ 3.91Å; F124-F139 HydrophobicContact CE1-CZ 3.91Å |
| 125 | E | 93.6 | Very high | 96.1 | Very high | 148 Ų | 148 | 71.3 Ų | 71.3 | 69% | 0.692 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 121.6 | -177.8 | -167.7 | 173.3 | -169.7 | 0 | 0 | 111.8 | D121 E122 I123 N127 K142 | D121-E125 PolarHBondContact O-N 3.18Å; D121-E125 VanDerWaalsContact O-N 3.16Å; E122-E125 WeakPolarHBondContact O-CB 3.5Å; E122-E125 PolarHBondContact O-N 3.32Å; I123-E125 VanDerWaalsContact C-N 3.33Å; E125-N127 PolarHBondContact O-N 2.96Å; E125-N127 PolarHBondContact O-ND2 2.93Å; E125-K142 PolarHBondContact O-NZ 3.27Å |
| 126 | G | 93.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 69.6 Ų | 69.6 | 78% | 0.784 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 10.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F124 | F124-G126 PolarHBondContact O-N 2.83Å; F124-G126 VanDerWaalsContact O-N 3.16Å |
| 127 | N | 95.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.15 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -5.6 | -179 | -73.2 | -64.5 | 0 | 0 | 0 | 114.3 | I123 F124 E125 F139 K142 | I123-N127 PolarHBondContact O-ND2 3.19Å; F124-N127 WeakPolarHBondContact O-CB 3.4Å; F124-N127 PolarHBondContact O-N 2.75Å; E125-N127 PolarHBondContact O-N 2.96Å; E125-N127 PolarHBondContact O-ND2 2.93Å; N127-F139 HydrophobicContact CB-CD2 3.82Å; N127-F139 HydrophobicContact CB-CE2 4.27Å; N127-K142 PolarHBondContact ND2-NZ 3.37Å; N127-K142 VanDerWaalsContact ND2-NZ 3.14Å; N127-K142 VanDerWaalsContact OD1-CD 3.32Å; N127-K142 WeakPolarHBondContact OD1-CD 3.37Å |
| 128 | Q | 95.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 38% | 0.383 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -102.1 | 135.6 | 176.7 | -62.4 | -169.9 | -93.5 | 0 | 0 | 110.8 | F124 G132 M133 I134 | F124-Q128 HydrophobicContact CD2-CG 4.44Å; Q128-G132 PolarHBondContact NE2-O 2.9Å; Q128-M133 WeakPolarHBondContact CA-O 3.38Å; Q128-I134 HydrophobicContact CG-CD1 4.15Å; Q128-I134 HydrophobicContact CG-CG1 3.8Å |
| 129 | D | 95.5 | Very high | 96 | Very high | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | trans | -77.5 | -178.3 | 167.8 | 64.9 | 18.8 | 0 | 0 | 0 | 111.9 | K98 E131 G132 M133 | K98-D129 IonicContact NZ-OD2 3.65Å; K98-D129 PolarHBondContact NZ-OD2 3.28Å; D129-E131 PolarHBondContact O-N 3.36Å; D129-E131 PolarHBondContact OD1-N 3.41Å; D129-G132 PolarHBondContact O-N 2.96Å; D129-G132 PolarHBondContact OD1-N 3.2Å; D129-M133 PolarHBondContact N-O 3.39Å; D129-M133 WeakPolarHBondContact OD1-CA 3.38Å; D129-M133 VanDerWaalsContact OD1-CB 3.31Å; D129-M133 WeakPolarHBondContact OD1-CB 3.16Å; D129-M133 PolarHBondContact OD1-N 3.18Å | ||
| 130 | A | 94.8 | Very high | 96.1 | Very high | 101 Ų | 101 | 57.2 Ų | 57.2 | 84% | 0.835 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G132 | A130-G132 VanDerWaalsContact C-N 3.34Š|
| 131 | E | 95.3 | Very high | 95.9 | Very high | 139 Ų | 139 | 62.7 Ų | 62.7 | 65% | 0.65 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.6 | 176.5 | -61.6 | 75.1 | -159.7 | 0 | 0 | 112.7 | D129 M133 | D129-E131 PolarHBondContact O-N 3.36Å; D129-E131 PolarHBondContact OD1-N 3.41Å; E131-M133 VanDerWaalsContact C-N 3.31Å; E131-M133 HydrophobicContact CB-CG 4.06Å |
| 132 | G | 96.1 | Very high | 95.9 | Very high | 19 Ų | 19 | 63.6 Ų | 63.6 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 78.4 | 14.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G101 Q128 D129 A130 | G101-G132 PolarHBondContact N-O 3.47Å; Q128-G132 PolarHBondContact NE2-O 2.9Å; D129-G132 PolarHBondContact O-N 2.96Å; D129-G132 PolarHBondContact OD1-N 3.2Å; A130-G132 VanDerWaalsContact C-N 3.34Å |
| 133 | M | 97.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 23% | 0.232 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 147.8 | 178.9 | -53.7 | -69.9 | -70.3 | 0 | 0 | 110.7 | K98 I99 L100 Q128 D129 E131 | K98-M133 HydrophobicContact CB-CB 4.33Å; K98-M133 HydrophobicContact CB-CE 3.96Å; K98-M133 HydrophobicContact CD-CB 4.13Å; I99-M133 CarbonylContact O-C 3.58Å; I99-M133 WeakPolarHBondContact O-CA 3.43Å; L100-M133 HydrophobicContact CB-SD 4.32Å; L100-M133 HydrophobicContact CD1-SD 3.74Å; Q128-M133 WeakPolarHBondContact CA-O 3.38Å; D129-M133 PolarHBondContact N-O 3.39Å; D129-M133 WeakPolarHBondContact OD1-CA 3.38Å; D129-M133 VanDerWaalsContact OD1-CB 3.31Å; D129-M133 WeakPolarHBondContact OD1-CB 3.16Å; D129-M133 PolarHBondContact OD1-N 3.18Å; E131-M133 VanDerWaalsContact C-N 3.31Å; E131-M133 HydrophobicContact CB-CG 4.06Å |
| 134 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.6 | 177.9 | -63.9 | 178.1 | 0 | 0 | 0 | 108.4 | K98 I99 L104 F124 Q128 Y136 F139 | K98-I134 CarbonylContact C-O 3.59Å; K98-I134 WeakPolarHBondContact CA-O 3.33Å; I99-I134 HydrophobicContact CG1-CB 4.28Å; I99-I134 PolarHBondContact N-O 3.41Å; I99-I134 PolarHBondContact O-N 3.19Å; L104-I134 HydrophobicContact CD2-CD1 3.96Å; F124-I134 HydrophobicContact CD1-CD1 4.33Å; F124-I134 HydrophobicContact CD2-CD1 4.06Å; F124-I134 HydrophobicContact CE1-CD1 4.05Å; F124-I134 HydrophobicContact CE2-CD1 3.73Å; F124-I134 HydrophobicContact CG-CD1 4.37Å; F124-I134 HydrophobicContact CZ-CD1 3.74Å; Q128-I134 HydrophobicContact CG-CD1 4.15Å; Q128-I134 HydrophobicContact CG-CG1 3.8Å; I134-Y136 PolarHBondContact O-N 3.07Å; I134-F139 HydrophobicContact CG2-CB 3.63Å; I134-F139 HydrophobicContact CG2-CD2 4.06Å; I134-F139 HydrophobicContact CG2-CG 3.85Å |
| 135 | N | 97.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 104.8 | 163.2 | -179.5 | -67.4 | 0 | 0 | 0 | 108.2 | G97 E137 A138 F139 | G97-N135 WeakPolarHBondContact O-CA 3.28Å; N135-E137 VanDerWaalsContact C-N 3.33Å; N135-E137 PolarHBondContact O-N 3.33Å; N135-E137 PolarHBondContact OD1-N 3.14Å; N135-A138 HydrophobicContact CB-CB 4.21Å; N135-A138 PolarHBondContact O-N 2.65Å; N135-A138 WeakPolarHBondContact OD1-CB 3.29Å; N135-A138 PolarHBondContact OD1-N 3.43Å; N135-F139 WeakPolarHBondContact O-CB 3.49Å; N135-F139 PolarHBondContact O-N 3.02Å |
| 136 | Y | 97.5 | Very high | 95.2 | Very high | 13 Ų | 13 | 57.2 Ų | 57.2 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.2 | -26.2 | -168 | 60.8 | -94.1 | 0 | 0 | 0 | 112.9 | L85 L88 D92 G97 I99 I134 F139 I140 | L85-Y136 HydrophobicContact CD1-CD2 3.9Å; L85-Y136 HydrophobicContact CD1-CE2 3.54Å; L85-Y136 HydrophobicContact CG-CE2 4.44Å; L88-Y136 HydrophobicContact CB-CD2 4.01Å; L88-Y136 HydrophobicContact CB-CG 4.17Å; D92-Y136 HydrophobicContact CB-CE1 3.75Å; D92-Y136 PolarHBondContact OD2-OH 3.16Å; G97-Y136 VanDerWaalsContact C-CD1 3.44Å; G97-Y136 WeakPolarHBondContact O-CD1 3.21Å; G97-Y136 WeakPolarHBondContact O-CE1 3.35Å; G97-Y136 PolarHBondContact O-N 2.72Å; I99-Y136 HydrophobicContact CG2-CD1 3.78Å; I99-Y136 HydrophobicContact CG2-CE1 4.25Å; I134-Y136 PolarHBondContact O-N 3.07Å; Y136-F139 PolarHBondContact O-N 2.93Å; Y136-I140 HydrophobicContact CD2-CD1 4.46Å; Y136-I140 WeakPolarHBondContact O-CB 3.36Å; Y136-I140 WeakPolarHBondContact O-CD1 3.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.47Å; Y136-I140 PolarHBondContact O-N 3.06Å |
| 137 | E | 97.4 | Very high | 94.9 | Very high | 75 Ų | 75 | 59 Ų | 59 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -49.8 | 172.5 | -67.2 | -163.8 | -167.5 | 0 | 0 | 111.9 | L85 N135 F139 I140 K141 | L85-E137 HydrophobicContact CD1-CG 3.6Å; N135-E137 VanDerWaalsContact C-N 3.33Å; N135-E137 PolarHBondContact O-N 3.33Å; N135-E137 PolarHBondContact OD1-N 3.14Å; E137-F139 VanDerWaalsContact C-N 3.29Å; E137-F139 PolarHBondContact O-N 3.02Å; E137-I140 PolarHBondContact O-N 3.14Å; E137-K141 WeakPolarHBondContact O-CG 3.19Å; E137-K141 PolarHBondContact O-N 3.42Å |
| 138 | A | 96.2 | Very high | 94.4 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | N135 K141 K142 | N135-A138 HydrophobicContact CB-CB 4.21Å; N135-A138 PolarHBondContact O-N 2.65Å; N135-A138 WeakPolarHBondContact OD1-CB 3.29Å; N135-A138 PolarHBondContact OD1-N 3.43Å; A138-K141 PolarHBondContact O-N 3.04Å; A138-K142 WeakPolarHBondContact O-CB 3.37Å; A138-K142 PolarHBondContact O-N 3.15Å |
| 139 | F | 97.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 6% | 0.057 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.3 | -51.4 | 176.4 | -177.2 | -103.7 | 0 | 0 | 0 | 112.3 | L104 I123 F124 N127 I134 N135 Y136 E137 K141 K142 V143 | L104-F139 HydrophobicContact CD2-CD1 4.15Å; L104-F139 HydrophobicContact CD2-CE1 3.73Å; L104-F139 HydrophobicContact CD2-CZ 4.1Å; I123-F139 HydrophobicContact CD1-CZ 3.94Å; I123-F139 HydrophobicContact CG1-CZ 4.28Å; I123-F139 WeakPolarHBondContact O-CE2 3.29Å; F124-F139 AromaticContact CD1-CE2 3.99Å; F124-F139 HydrophobicContact CD1-CE2 3.99Å; F124-F139 HydrophobicContact CD1-CZ 4.02Å; F124-F139 HydrophobicContact CE1-CE2 4.26Å; F124-F139 AromaticContact CE1-CZ 3.91Å; F124-F139 HydrophobicContact CE1-CZ 3.91Å; N127-F139 HydrophobicContact CB-CD2 3.82Å; N127-F139 HydrophobicContact CB-CE2 4.27Å; I134-F139 HydrophobicContact CG2-CB 3.63Å; I134-F139 HydrophobicContact CG2-CD2 4.06Å; I134-F139 HydrophobicContact CG2-CG 3.85Å; N135-F139 WeakPolarHBondContact O-CB 3.49Å; N135-F139 PolarHBondContact O-N 3.02Å; Y136-F139 PolarHBondContact O-N 2.93Å; E137-F139 VanDerWaalsContact C-N 3.29Å; E137-F139 PolarHBondContact O-N 3.02Å; F139-K141 VanDerWaalsContact C-N 3.31Å; F139-K141 PolarHBondContact O-N 2.76Å; F139-K142 PolarHBondContact O-N 3.45Å; F139-V143 HydrophobicContact CD1-CG2 4.34Å; F139-V143 HydrophobicContact CD2-CG2 4.49Å; F139-V143 HydrophobicContact CE1-CG2 4.02Å; F139-V143 HydrophobicContact CE2-CG2 4.2Å; F139-V143 HydrophobicContact CZ-CG2 3.96Å; F139-V143 WeakPolarHBondContact O-CG2 3.46Å; F139-V143 PolarHBondContact O-N 2.92Å |
| 140 | I | 96.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.041 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 177.8 | -65.2 | 160.3 | 0 | 0 | 0 | 110.1 | Y81 Y84 L85 L88 Y136 E137 K142 V143 L144 | Y81-I140 HydrophobicContact CD2-CB 4.28Å; Y81-I140 HydrophobicContact CD2-CG2 3.49Å; Y81-I140 VanDerWaalsContact CD2-CG2 3.49Å; Y81-I140 HydrophobicContact CE2-CB 4.09Å; Y81-I140 HydrophobicContact CE2-CG2 3.81Å; Y81-I140 HydrophobicContact CG-CG2 4.5Å; Y84-I140 HydrophobicContact CD2-CG2 4.32Å; L85-I140 HydrophobicContact CB-CD1 4.32Å; L85-I140 HydrophobicContact CD1-CD1 4.33Å; L88-I140 HydrophobicContact CD1-CD1 3.93Å; L88-I140 HydrophobicContact CD1-CG1 3.9Å; Y136-I140 HydrophobicContact CD2-CD1 4.46Å; Y136-I140 WeakPolarHBondContact O-CB 3.36Å; Y136-I140 WeakPolarHBondContact O-CD1 3.47Å; Y136-I140 WeakPolarHBondContact O-CG1 3.47Å; Y136-I140 PolarHBondContact O-N 3.06Å; E137-I140 PolarHBondContact O-N 3.14Å; I140-K142 PolarHBondContact O-N 2.96Å; I140-V143 PolarHBondContact O-N 2.95Å; I140-L144 HydrophobicContact CG2-CD1 3.68Å; I140-L144 HydrophobicContact CG2-CG 4.11Å; I140-L144 WeakPolarHBondContact O-CB 3.41Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 3.25Å |
| 141 | K | 95 | Very high | 91 | Very high | 115 Ų | 115 | 76.8 Ų | 76.8 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 178.3 | -74.1 | 172 | -176.3 | 167.5 | 0 | 111.5 | Y81 E137 A138 F139 L144 A145 | Y81-K141 HydrophobicContact CD2-CG 4.4Å; Y81-K141 HydrophobicContact CE2-CG 3.78Å; E137-K141 WeakPolarHBondContact O-CG 3.19Å; E137-K141 PolarHBondContact O-N 3.42Å; A138-K141 PolarHBondContact O-N 3.04Å; F139-K141 VanDerWaalsContact C-N 3.31Å; F139-K141 PolarHBondContact O-N 2.76Å; K141-L144 PolarHBondContact O-N 3.39Å; K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.49Å; K141-A145 PolarHBondContact O-N 3.48Å |
| 142 | K | 94.3 | Very high | 89.2 | Confident | 99 Ų | 99 | 78.4 Ų | 78.4 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 178 | -173.5 | -179.3 | 174.7 | -174.5 | 0 | 111.5 | E125 N127 A138 F139 I140 L144 A145 G146 | E125-K142 PolarHBondContact O-NZ 3.27Å; N127-K142 PolarHBondContact ND2-NZ 3.37Å; N127-K142 VanDerWaalsContact ND2-NZ 3.14Å; N127-K142 VanDerWaalsContact OD1-CD 3.32Å; N127-K142 WeakPolarHBondContact OD1-CD 3.37Å; A138-K142 WeakPolarHBondContact O-CB 3.37Å; A138-K142 PolarHBondContact O-N 3.15Å; F139-K142 PolarHBondContact O-N 3.45Å; I140-K142 PolarHBondContact O-N 2.96Å; K142-L144 PolarHBondContact O-N 3.37Å; K142-A145 PolarHBondContact O-N 3.49Å; K142-G146 PolarHBondContact O-N 3.02Å; K142-G146 VanDerWaalsContact O-N 3.16Å |
| 143 | V | 94 | Very high | 86.4 | Confident | 71 Ų | 71 | 88.5 Ų | 88.5 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | F139 I140 G146 | F139-V143 HydrophobicContact CD1-CG2 4.34Å; F139-V143 HydrophobicContact CD2-CG2 4.49Å; F139-V143 HydrophobicContact CE1-CG2 4.02Å; F139-V143 HydrophobicContact CE2-CG2 4.2Å; F139-V143 HydrophobicContact CZ-CG2 3.96Å; F139-V143 WeakPolarHBondContact O-CG2 3.46Å; F139-V143 PolarHBondContact O-N 2.92Å; I140-V143 PolarHBondContact O-N 2.95Å; V143-G146 PolarHBondContact O-N 3.41Å |
| 144 | L | 91.5 | Very high | 85.8 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.4 | -31.3 | 179.8 | -70.4 | 179.4 | 0 | 0 | 0 | 113.6 | Y81 Y84 I140 K141 K142 G146 | Y81-L144 HydrophobicContact CD2-CD1 4.16Å; Y84-L144 HydrophobicContact CD2-CD1 4.35Å; Y84-L144 HydrophobicContact CD2-CD2 4.35Å; Y84-L144 HydrophobicContact CE2-CD2 3.97Å; I140-L144 HydrophobicContact CG2-CD1 3.68Å; I140-L144 HydrophobicContact CG2-CG 4.11Å; I140-L144 WeakPolarHBondContact O-CB 3.41Å; I140-L144 WeakPolarHBondContact O-CG 3.47Å; I140-L144 PolarHBondContact O-N 3.25Å; K141-L144 PolarHBondContact O-N 3.39Å; K142-L144 PolarHBondContact O-N 3.37Å; L144-G146 VanDerWaalsContact C-N 3.3Å |
| 145 | A | 90.7 | Very high | 85.2 | Confident | 60 Ų | 60 | 95.4 Ų | 95.4 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -28.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K141 K142 P149 | K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.49Å; K141-A145 PolarHBondContact O-N 3.48Å; K142-A145 PolarHBondContact O-N 3.49Å; A145-P149 HydrophobicContact CB-CB 4.31Å |
| 146 | G | 89.3 | Confident | 84.5 | Confident | 27 Ų | 27 | 96.8 Ų | 96.8 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | trans | 85.2 | -179.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K142 V143 L144 F148 | K142-G146 PolarHBondContact O-N 3.02Å; K142-G146 VanDerWaalsContact O-N 3.16Å; V143-G146 PolarHBondContact O-N 3.41Å; L144-G146 VanDerWaalsContact C-N 3.3Å; G146-F148 VanDerWaalsContact C-N 3.3Å; G146-F148 PolarHBondContact O-N 3.34Å | ||
| 147 | P | 87.4 | Confident | 83.7 | Confident | 112 Ų | 112 | 101.7 Ų | 101.7 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -72.1 | -20.8 | -172.2 | 26.9 | -34.1 | 0 | 0 | 0 | 114.1 | ||
| 148 | F | 86.1 | Confident | 82.9 | Confident | 188 Ų | 188 | 103.4 Ų | 103.4 | 83% | 0.825 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -128.1 | 73.9 | -178.8 | -52.7 | -70.8 | 0 | 0 | 0 | 109.4 | G146 | G146-F148 VanDerWaalsContact C-N 3.3Å; G146-F148 PolarHBondContact O-N 3.34Å |
| 149 | P | 77 | Confident | 82 | Confident | 81 Ų | 81 | 106.9 Ų | 106.9 | 53% | 0.526 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 140.1 | 175.3 | 26.7 | -32.8 | 0 | 0 | 0 | 109.6 | A145 E151 | A145-P149 HydrophobicContact CB-CB 4.31Å; P149-E151 PolarHBondContact O-N 3.05Å |
| 150 | E | 70.4 | Confident | 80.9 | Confident | 191 Ų | 191 | 113.6 Ų | 113.6 | 89% | 0.893 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 128.1 | 169.1 | -66.8 | -172.5 | 172 | 0 | 0 | 108 | D152 | E150-D152 PolarHBondContact O-N 3.18Š|
| 151 | E | 65.8 | Low | 79.7 | Confident | 177 Ų | 177 | 121.7 Ų | 121.7 | 83% | 0.827 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.5 | 171.2 | -67.9 | -174.9 | 172.8 | 0 | 0 | 107 | P149 D153 | P149-E151 PolarHBondContact O-N 3.05Å; E151-D153 PolarHBondContact O-N 3.35Å |
| 152 | D | 58.1 | Low | 78.4 | Confident | 172 Ų | 172 | 122.3 Ų | 122.3 | 92% | 0.92 | 66% | 0.658 | S | S | * | * | trans | -63.2 | 101.5 | 170.2 | -73.6 | -45.2 | 0 | 0 | 0 | 107.6 | E150 | E150-D152 PolarHBondContact O-N 3.18Š| ||
| 153 | D | 36.5 | Very low | 77 | Confident | 232 Ų | 232 | 124.4 Ų | 124.4 | 100% | 1.241 | 68% | 0.678 | S | S | * | * | trans | -58.2 | 0 | 172 | -84.7 | -42.6 | 0 | 0 | 0 | 113 | E151 | E151-D153 PolarHBondContact O-N 3.35Š|
Retrieved 153 of 153 residues in 189 ms
(Link to these results)