| 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 | 57.4 | Low | 83.3 | Confident | 232 Ų | 232 | 87 Ų | 87 | 100% | 1.143 | 44% | 0.442 | S | S | * | . | 0 | 142.3 | 0 | -80.8 | 179.3 | 165.7 | 0 | 0 | 108 | |||||
| 2 | P | 67.1 | Low | 84.2 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 34% | 0.344 | 41% | 0.413 | S | S | . | . | trans | -64.2 | 143.8 | -178.2 | -11.8 | 25.8 | 0 | 0 | 0 | 110.4 | A139 Y143 | P2-A139 HydrophobicContact CB-CB 4.32Å; P2-Y143 HydrophobicContact CB-CE2 4.17Å; P2-Y143 HydrophobicContact CG-CD2 4.3Å; P2-Y143 HydrophobicContact CG-CE1 4.36Å; P2-Y143 HydrophobicContact CG-CE2 3.25Å; P2-Y143 WeakPolarHBondContact CG-OH 3.36Å | ||
| 3 | R | 78.7 | Confident | 84.9 | Confident | 147 Ų | 147 | 82.9 Ų | 82.9 | 56% | 0.555 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -81.8 | -21.1 | 174.5 | -61.1 | 177.5 | 71.7 | -172 | 7.8 | 112.1 | I102 E135 | R3-I102 HydrophobicContact CB-CD1 4.24Å; R3-I102 WeakPolarHBondContact O-CG2 3.46Å; R3-E135 IonicContact NH1-OE1 3.44Å |
| 4 | V | 86.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 84.8 Ų | 84.8 | 7% | 0.073 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -120 | 151.9 | -175.1 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | Q8 I102 G105 E135 D136 A139 | V4-Q8 HydrophobicContact CB-CG 4.41Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.33Å; V4-G105 CarbonylContact C-O 3.43Å; V4-G105 VanDerWaalsContact CA-O 3.24Å; V4-G105 WeakPolarHBondContact CA-O 3.41Å; V4-G105 WeakPolarHBondContact CB-O 3.43Å; V4-E135 HydrophobicContact CG1-CB 3.73Å; V4-E135 HydrophobicContact CG1-CG 4.33Å; V4-E135 HydrophobicContact CG2-CB 4.12Å; V4-D136 WeakPolarHBondContact CG2-OD1 3.48Å; V4-A139 HydrophobicContact CG2-CB 4.21Å |
| 5 | V | 85.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 84.1 Ų | 84.1 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | trans | -85.4 | 155.1 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 111 | Q8 K11 G105 V106 | V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 3Å; V5-K11 HydrophobicContact CG2-CD 3.62Å; V5-G105 WeakPolarHBondContact CG2-O 3.26Å; V5-G105 PolarHBondContact N-O 3.32Å; V5-V106 HydrophobicContact CG2-CG2 4.21Å | ||
| 6 | P | 82.6 | Confident | 86.5 | Confident | 109 Ų | 109 | 86.7 Ų | 86.7 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 151.7 | 164.5 | -20 | 32.7 | 0 | 0 | 0 | 111.4 | Q8 | P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 2.83Å |
| 7 | D | 87.3 | Confident | 86.8 | Confident | 128 Ų | 128 | 85.4 Ų | 85.4 | 68% | 0.684 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 45.1 | 175.5 | -57.3 | -39.9 | 0 | 0 | 0 | 113.9 | R9 S10 K11 | D7-R9 PolarHBondContact O-N 3.4Å; D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.47Å; D7-K11 PolarHBondContact O-N 2.74Å; D7-K11 VanDerWaalsContact O-N 3.16Å |
| 8 | Q | 91.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 80.6 Ų | 80.6 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -48.4 | -40.8 | -176.2 | -58.8 | -174.3 | 49 | 0 | 0 | 113.2 | V4 V5 P6 K11 F12 V106 C107 F127 A132 D136 | V4-Q8 HydrophobicContact CB-CG 4.41Å; V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 3Å; P6-Q8 VanDerWaalsContact C-N 3.32Å; P6-Q8 PolarHBondContact O-N 2.83Å; Q8-K11 PolarHBondContact O-N 3.07Å; Q8-F12 PolarHBondContact O-N 3.17Å; Q8-V106 HydrophobicContact CB-CG1 4.31Å; Q8-C107 PolarHBondContact OE1-SG 2.82Å; Q8-F127 HydrophobicContact CB-CE2 3.78Å; Q8-F127 HydrophobicContact CB-CZ 4.07Å; Q8-A132 PolarHBondContact NE2-O 3.26Å; Q8-D136 PolarHBondContact NE2-OD1 2.64Å |
| 9 | R | 92.5 | Very high | 87.5 | Confident | 124 Ų | 124 | 84 Ų | 84 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 178.3 | -175.9 | 172.2 | -175.6 | 154.2 | 1.2 | 112.5 | D7 K11 F12 E13 F127 E129 | D7-R9 PolarHBondContact O-N 3.4Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.44Å; R9-F12 PolarHBondContact O-N 3.49Å; R9-E13 HydrophobicContact CG-CG 4.47Å; R9-E13 WeakPolarHBondContact CG-OE1 2.96Å; R9-E13 IonicContact CZ-OE1 3.83Å; R9-E13 IonicContact NE-OE1 3.62Å; R9-E13 PolarHBondContact NE-OE1 3.37Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.32Å; R9-E13 PolarHBondContact O-N 3.02Å; R9-F127 HydrophobicContact CB-CE1 3.99Å; R9-F127 HydrophobicContact CB-CE2 4.49Å; R9-F127 HydrophobicContact CB-CZ 3.94Å; R9-F127 HydrophobicContact CG-CE1 4.34Å; R9-E129 IonicContact NH1-OE1 3.07Å; R9-E129 PolarHBondContact NH1-OE1 2.86Å |
| 10 | S | 93.3 | Very high | 87.8 | Confident | 59 Ų | 59 | 85 Ų | 85 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.2 | 179 | 0 | 0 | 0 | 0 | 110.9 | D7 E13 N14 | D7-S10 WeakPolarHBondContact O-CB 3.44Å; D7-S10 PolarHBondContact O-N 3.47Å; S10-E13 PolarHBondContact O-N 3.15Å; S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.06Å; S10-N14 PolarHBondContact O-ND2 2.86Å; S10-N14 PolarHBondContact OG-ND2 3.24Å; S10-N14 VanDerWaalsContact OG-ND2 3.1Å |
| 11 | K | 93.4 | Very high | 88.1 | Confident | 49 Ų | 49 | 80.9 Ų | 80.9 | 21% | 0.213 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.3 | -169.4 | 173.3 | -177.3 | -176.4 | 0 | 111.9 | V5 D7 Q8 R9 E13 E15 F18 N104 V106 | V5-K11 HydrophobicContact CG2-CD 3.62Å; D7-K11 PolarHBondContact O-N 2.74Å; D7-K11 VanDerWaalsContact O-N 3.16Å; Q8-K11 PolarHBondContact O-N 3.07Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 3.44Å; K11-E13 PolarHBondContact O-N 3.1Å; K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 WeakPolarHBondContact CE-OE2 3.46Å; K11-E15 VanDerWaalsContact CG-CD 3.4Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 IonicContact NZ-OE1 2.6Å; K11-E15 VanDerWaalsContact O-CB 3.31Å; K11-E15 WeakPolarHBondContact O-CB 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 3.04Å; K11-F18 HydrophobicContact CG-CE2 4.45Å; K11-N104 PolarHBondContact NZ-O 3.04Å; K11-V106 HydrophobicContact CB-CG2 4.05Å; K11-V106 HydrophobicContact CD-CG2 3.72Å; K11-V106 HydrophobicContact CG-CG2 3.99Å |
| 12 | F | 94.4 | Very high | 89.8 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 10% | 0.096 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.8 | -174.5 | -94.7 | 0 | 0 | 0 | 112.6 | Q8 R9 F18 S22 V106 V108 L125 F127 | Q8-F12 PolarHBondContact O-N 3.17Å; R9-F12 PolarHBondContact O-N 3.49Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CE1 4.31Å; F12-F18 AromaticContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CE2-CB 4.31Å; F12-F18 AromaticContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CG 4.38Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.22Å; F12-F18 WeakPolarHBondContact O-CB 3.35Å; F12-S22 WeakPolarHBondContact CZ-OG 3.38Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.15Å; F12-V108 HydrophobicContact CD2-CG1 3.69Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F12-L125 HydrophobicContact CE2-CB 4.26Å; F12-F127 HydrophobicContact CB-CD2 4.04Å; F12-F127 HydrophobicContact CD1-CB 3.8Å; F12-F127 HydrophobicContact CD2-CB 4.34Å; F12-F127 HydrophobicContact CD2-CD2 4.41Å; F12-F127 HydrophobicContact CE1-CB 3.88Å; F12-F127 HydrophobicContact CE2-CB 4.4Å; F12-F127 HydrophobicContact CG-CB 4.03Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.17Å |
| 13 | E | 93.4 | Very high | 91 | Very high | 99 Ų | 99 | 77.5 Ų | 77.5 | 46% | 0.463 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -75.1 | -31.9 | -176.8 | -70.6 | 174.7 | -177 | 0 | 0 | 112.9 | R9 S10 K11 R19 | R9-E13 HydrophobicContact CG-CG 4.47Å; R9-E13 WeakPolarHBondContact CG-OE1 2.96Å; R9-E13 IonicContact CZ-OE1 3.83Å; R9-E13 IonicContact NE-OE1 3.62Å; R9-E13 PolarHBondContact NE-OE1 3.37Å; R9-E13 IonicContact NH2-OE1 3.37Å; R9-E13 WeakPolarHBondContact O-CB 3.41Å; R9-E13 WeakPolarHBondContact O-CG 3.32Å; R9-E13 PolarHBondContact O-N 3.02Å; S10-E13 PolarHBondContact O-N 3.15Å; K11-E13 PolarHBondContact O-N 3.1Å; E13-R19 WeakPolarHBondContact O-CD 3.24Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.27Å |
| 14 | N | 93.1 | Very high | 91.7 | Very high | 109 Ų | 109 | 76.2 Ų | 76.2 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -100.6 | -31.3 | -171.4 | -67.3 | -51.6 | 0 | 0 | 0 | 114.7 | S10 E16 | S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.06Å; S10-N14 PolarHBondContact O-ND2 2.86Å; S10-N14 PolarHBondContact OG-ND2 3.24Å; S10-N14 VanDerWaalsContact OG-ND2 3.1Å; N14-E16 PolarHBondContact O-N 3.28Å |
| 15 | E | 94.6 | Very high | 92.1 | Very high | 75 Ų | 75 | 76.5 Ų | 76.5 | 35% | 0.35 | 37% | 0.367 | S | S | . | . | trans | -71.7 | 129.6 | -179.1 | -73.6 | -168.7 | 161.9 | 0 | 0 | 111.7 | K11 F17 F18 R19 | K11-E15 WeakPolarHBondContact CE-OE1 3.24Å; K11-E15 WeakPolarHBondContact CE-OE2 3.46Å; K11-E15 VanDerWaalsContact CG-CD 3.4Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 IonicContact NZ-OE1 2.6Å; K11-E15 VanDerWaalsContact O-CB 3.31Å; K11-E15 WeakPolarHBondContact O-CB 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.46Å; K11-E15 PolarHBondContact O-N 3.04Å; E15-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact O-N 3.16Å; E15-F18 HydrophobicContact CB-CD2 4.03Å; E15-F18 PolarHBondContact O-N 3.04Å; E15-F18 VanDerWaalsContact O-N 3.14Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.42Å; E15-R19 WeakPolarHBondContact O-CG 3.13Å; E15-R19 PolarHBondContact O-N 3.05Å | ||
| 16 | E | 92.1 | Very high | 92.6 | Very high | 125 Ų | 125 | 78.4 Ų | 78.4 | 58% | 0.584 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.8 | -35 | -179.3 | -170.1 | -175.6 | 176.3 | 0 | 0 | 112.4 | N14 R19 K20 | N14-E16 PolarHBondContact O-N 3.28Å; E16-R19 PolarHBondContact O-N 2.79Å; E16-K20 HydrophobicContact CG-CD 4.2Å; E16-K20 HydrophobicContact CG-CG 4.46Å; E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 3.44Å; E16-K20 WeakPolarHBondContact OE1-CE 3.38Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 3.09Å |
| 17 | F | 92.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 73.2 Ų | 73.2 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.8 | -54.2 | 176.1 | 175.1 | -101.9 | 0 | 0 | 0 | 111.8 | E15 K20 L21 T62 L103 | E15-F17 PolarHBondContact O-N 3.19Å; E15-F17 VanDerWaalsContact O-N 3.16Å; F17-K20 PolarHBondContact O-N 2.84Å; F17-L21 HydrophobicContact CD1-CD1 4.48Å; F17-L21 HydrophobicContact CD2-CD1 4.27Å; F17-L21 HydrophobicContact CE1-CD1 3.9Å; F17-L21 HydrophobicContact CE2-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD1 3.45Å; F17-L21 VanDerWaalsContact CZ-CD1 3.45Å; F17-L21 WeakPolarHBondContact O-CG 3.33Å; F17-L21 PolarHBondContact O-N 3.3Å; F17-T62 HydrophobicContact CE2-CG2 3.99Å; F17-T62 HydrophobicContact CZ-CG2 4.17Å; F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.07Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å |
| 18 | F | 93.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -46.3 | 178.6 | -71.8 | -67.7 | 0 | 0 | 0 | 111.2 | K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125 | K11-F18 HydrophobicContact CG-CE2 4.45Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CD1 3.64Å; F12-F18 HydrophobicContact CD2-CE1 4.31Å; F12-F18 AromaticContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CD2-CG 3.82Å; F12-F18 HydrophobicContact CE2-CB 4.31Å; F12-F18 AromaticContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CD1 3.94Å; F12-F18 HydrophobicContact CE2-CG 4.38Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.48Å; F12-F18 VanDerWaalsContact O-CB 3.22Å; F12-F18 WeakPolarHBondContact O-CB 3.35Å; E15-F18 HydrophobicContact CB-CD2 4.03Å; E15-F18 PolarHBondContact O-N 3.04Å; E15-F18 VanDerWaalsContact O-N 3.14Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.42Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-K20 VanDerWaalsContact O-N 3.11Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 PolarHBondContact O-N 2.92Å; F18-S22 PolarHBondContact O-N 2.89Å; F18-S22 PolarHBondContact O-OG 2.92Å; F18-L103 HydrophobicContact CE1-CB 4.24Å; F18-L103 HydrophobicContact CE1-CD2 4.05Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 HydrophobicContact CZ-CB 4.46Å; F18-L103 HydrophobicContact CZ-CG 4.49Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; F18-N104 HydrophobicContact CZ-CB 4.3Å; F18-V106 HydrophobicContact CE1-CB 4.37Å; F18-V106 HydrophobicContact CE2-CB 4.25Å; F18-V106 HydrophobicContact CE2-CG2 3.79Å; F18-V106 HydrophobicContact CZ-CB 3.8Å; F18-V106 HydrophobicContact CZ-CG1 4.42Å; F18-V106 HydrophobicContact CZ-CG2 3.83Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; F18-L125 HydrophobicContact CD1-CD1 4.14Å; F18-L125 HydrophobicContact CE1-CD1 4.43Å |
| 19 | R | 93.4 | Very high | 94.1 | Very high | 145 Ų | 145 | 71.9 Ų | 71.9 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.9 | -35.7 | 179.5 | -68.8 | 178.6 | 68.3 | -172.9 | 0.1 | 113.8 | E13 E15 E16 | E13-R19 WeakPolarHBondContact O-CD 3.24Å; E13-R19 VanDerWaalsContact O-CG 3.23Å; E13-R19 WeakPolarHBondContact O-CG 3.27Å; E15-R19 WeakPolarHBondContact O-CG 3.13Å; E15-R19 PolarHBondContact O-N 3.05Å; E16-R19 PolarHBondContact O-N 2.79Å |
| 20 | K | 92.9 | Very high | 94.3 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.4 | -44.4 | 174.3 | -77.6 | 176.3 | 179.3 | 168.6 | 0 | 111.6 | E16 F17 F18 C25 T60 | E16-K20 HydrophobicContact CG-CD 4.2Å; E16-K20 HydrophobicContact CG-CG 4.46Å; E16-K20 WeakPolarHBondContact O-CB 3.16Å; E16-K20 WeakPolarHBondContact O-CG 3.28Å; E16-K20 PolarHBondContact O-N 3.44Å; E16-K20 WeakPolarHBondContact OE1-CE 3.38Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 3.09Å; F17-K20 PolarHBondContact O-N 2.84Å; F18-K20 PolarHBondContact O-N 3.44Å; F18-K20 VanDerWaalsContact O-N 3.11Å; K20-C25 PolarHBondContact O-SG 3.34Å; K20-T60 HydrophobicContact CB-CG2 4.23Å; K20-T60 HydrophobicContact CD-CG2 4.31Å |
| 21 | L | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -82 | -16.1 | -176.4 | -60.3 | -174.7 | 0 | 0 | 0 | 114.1 | F17 F18 R23 F57 T60 T62 F124 L125 | F17-L21 HydrophobicContact CD1-CD1 4.48Å; F17-L21 HydrophobicContact CD2-CD1 4.27Å; F17-L21 HydrophobicContact CE1-CD1 3.9Å; F17-L21 HydrophobicContact CE2-CD1 3.66Å; F17-L21 HydrophobicContact CZ-CD1 3.45Å; F17-L21 VanDerWaalsContact CZ-CD1 3.45Å; F17-L21 WeakPolarHBondContact O-CG 3.33Å; F17-L21 PolarHBondContact O-N 3.3Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 WeakPolarHBondContact O-CA 3.37Å; F18-L21 PolarHBondContact O-N 2.92Å; L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.19Å; L21-F57 HydrophobicContact CB-CZ 4.42Å; L21-F57 HydrophobicContact CD1-CD2 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.02Å; L21-F57 HydrophobicContact CD2-CD1 3.79Å; L21-F57 HydrophobicContact CD2-CD2 3.68Å; L21-F57 HydrophobicContact CD2-CE1 4.09Å; L21-F57 HydrophobicContact CD2-CE2 3.98Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.18Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; L21-T62 HydrophobicContact CD1-CG2 4.3Å; L21-F124 CarbonylContact O-C 3.48Å; L21-F124 WeakPolarHBondContact O-CA 3.44Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.86Å; L21-L125 HydrophobicContact CG-CD1 4.44Å; L21-L125 PolarHBondContact O-N 2.66Å |
| 22 | S | 93.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16.1 | 175.4 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | F12 F18 L125 | F12-S22 WeakPolarHBondContact CZ-OG 3.38Å; F18-S22 PolarHBondContact O-N 2.89Å; F18-S22 PolarHBondContact O-OG 2.92Å; S22-L125 VanDerWaalsContact CA-O 3.29Å; S22-L125 WeakPolarHBondContact CA-O 3.39Å |
| 23 | R | 92.8 | Very high | 94.4 | Very high | 177 Ų | 177 | 75 Ų | 75 | 67% | 0.668 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -87.1 | 145.8 | 173.9 | -63.9 | 179.6 | 180 | -167.5 | -2.7 | 109 | L21 C25 | L21-R23 VanDerWaalsContact C-N 3.25Å; L21-R23 PolarHBondContact O-N 3.19Å; R23-C25 PolarHBondContact O-N 3.31Å; R23-C25 VanDerWaalsContact O-N 3.07Å; R23-C25 PolarHBondContact O-SG 2.96Å |
| 24 | E | 93.4 | Very high | 94.5 | Very high | 120 Ų | 120 | 76.1 Ų | 76.1 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | trans | -57.5 | 116.9 | 173.4 | -163.1 | 178.1 | -165.1 | 0 | 0 | 109.9 | M122 | E24-M122 HydrophobicContact CB-CE 4.47Å; E24-M122 HydrophobicContact CG-CB 3.8Å; E24-M122 HydrophobicContact CG-CE 3.75Å; E24-M122 HydrophobicContact CG-CG 4.46Å; E24-M122 WeakPolarHBondContact OE1-CB 3.23Å | ||
| 25 | C | 93.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 76.5 Ų | 76.5 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.8 | -174.5 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | K20 R23 I27 F57 M122 G123 | K20-C25 PolarHBondContact O-SG 3.34Å; R23-C25 PolarHBondContact O-N 3.31Å; R23-C25 VanDerWaalsContact O-N 3.07Å; R23-C25 PolarHBondContact O-SG 2.96Å; C25-I27 PolarHBondContact O-N 3.43Å; C25-F57 HydrophobicContact CB-CD1 3.6Å; C25-F57 HydrophobicContact CB-CE1 3.94Å; C25-M122 WeakPolarHBondContact O-CA 3.4Å; C25-G123 PolarHBondContact N-O 3.1Å; C25-G123 PolarHBondContact O-N 3.48Å |
| 26 | E | 97.4 | Very high | 94.8 | Very high | 80 Ų | 80 | 77 Ų | 77 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133 | 171.6 | -170.4 | -171.4 | 164.4 | 0 | 0 | 109.8 | K28 V58 G121 M122 | E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 IonicContact OE1-NZ 3.26Å; E26-K28 PolarHBondContact OE1-NZ 3.16Å; E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.18Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.85Å; E26-V58 PolarHBondContact O-N 2.86Å; E26-G121 WeakPolarHBondContact CA-O 3.5Å; E26-M122 HydrophobicContact CB-SD 4.28Å |
| 27 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 155.3 | 175.8 | 57.4 | 143.9 | 0 | 0 | 0 | 111.2 | C25 I55 A56 F57 W110 I114 D120 G121 | C25-I27 PolarHBondContact O-N 3.43Å; I27-I55 HydrophobicContact CD1-CG2 4.49Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; I27-A56 CarbonylContact C-O 3.51Å; I27-A56 WeakPolarHBondContact CA-O 3.07Å; I27-F57 HydrophobicContact CG2-CD1 3.72Å; I27-F57 HydrophobicContact CG2-CE1 3.93Å; I27-F57 HydrophobicContact CG2-CG 4.12Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I27-W110 HydrophobicContact CD1-CH2 4.09Å; I27-W110 HydrophobicContact CD1-CZ2 3.67Å; I27-I114 HydrophobicContact CD1-CD1 3.81Å; I27-I114 HydrophobicContact CD1-CG1 3.56Å; I27-D120 CarbonylContact O-C 2.96Å; I27-D120 WeakPolarHBondContact O-CA 3.44Å; I27-G121 VanDerWaalsContact CG1-C 3.49Å; I27-G121 WeakPolarHBondContact CG1-O 3.4Å; I27-G121 PolarHBondContact N-O 3.01Å; I27-G121 PolarHBondContact O-N 3.46Å |
| 28 | K | 97.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 78.8 Ų | 78.8 | 40% | 0.396 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.8 | 174.1 | -67.2 | -173.6 | -179.9 | 177.8 | 0 | 111.3 | E26 T30 I55 A56 V58 D120 | E26-K28 WeakPolarHBondContact OE1-CE 3.33Å; E26-K28 IonicContact OE1-NZ 3.26Å; E26-K28 PolarHBondContact OE1-NZ 3.16Å; K28-T30 PolarHBondContact O-N 3.14Å; K28-I55 CarbonylContact O-C 3.5Å; K28-I55 VanDerWaalsContact O-CA 3.28Å; K28-I55 WeakPolarHBondContact O-CA 3.44Å; K28-A56 PolarHBondContact N-O 3.16Å; K28-A56 PolarHBondContact O-N 3.28Å; K28-V58 HydrophobicContact CB-CG2 4.42Å; K28-V58 HydrophobicContact CD-CG2 3.92Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; K28-D120 HydrophobicContact CG-CB 3.93Å |
| 29 | Y | 97.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 81 Ų | 81 | 5% | 0.047 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 125.5 | 167.3 | 175.9 | -115.5 | 0 | 0 | 0 | 110 | G31 F32 R40 F44 E54 L119 | Y29-G31 WeakPolarHBondContact CE1-O 3.34Å; Y29-G31 VanDerWaalsContact CZ-CA 3.46Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.38Å; Y29-R40 PolarHBondContact O-NH2 2.84Å; Y29-F44 HydrophobicContact CD1-CB 4.17Å; Y29-F44 HydrophobicContact CD1-CD2 4.47Å; Y29-F44 HydrophobicContact CD2-CB 4.43Å; Y29-F44 AromaticContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CD2 3.45Å; Y29-F44 VanDerWaalsContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CE2 4.14Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 3.96Å; Y29-F44 HydrophobicContact CE2-CB 4.25Å; Y29-F44 AromaticContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.38Å; Y29-F44 AromaticContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CG 4.36Å; Y29-E54 WeakPolarHBondContact CD2-O 3.41Å; Y29-L119 HydrophobicContact CD1-CD1 4.06Å; Y29-L119 PolarHBondContact N-O 2.99Å |
| 30 | T | 96.5 | Very high | 95.5 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | trans | -106.5 | -1.4 | -175.2 | 49.3 | 0 | 0 | 0 | 0 | 114.3 | K28 R33 E54 A56 | K28-T30 PolarHBondContact O-N 3.14Å; T30-R33 VanDerWaalsContact O-CG 3.32Å; T30-R33 WeakPolarHBondContact O-CG 3.34Å; T30-E54 PolarHBondContact N-O 3.5Å; T30-E54 VanDerWaalsContact N-O 3.09Å; T30-E54 PolarHBondContact OG1-O 3Å; T30-A56 HydrophobicContact CG2-CB 3.46Å; T30-A56 VanDerWaalsContact CG2-CB 3.46Å | ||
| 31 | G | 93.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 73 Ų | 73 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 149.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y29 R33 R40 | Y29-G31 WeakPolarHBondContact CE1-O 3.34Å; Y29-G31 VanDerWaalsContact CZ-CA 3.46Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.11Å; G31-R40 PolarHBondContact O-NE 3.09Å; G31-R40 PolarHBondContact O-NH2 2.69Å |
| 32 | F | 94.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 77.9 Ų | 77.9 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.3 | 171.4 | -56.6 | -83 | 0 | 0 | 0 | 114.5 | Y29 D34 R35 R40 R43 | Y29-F32 WeakPolarHBondContact OH-CD2 3.38Å; F32-D34 PolarHBondContact O-N 3.3Å; F32-D34 VanDerWaalsContact O-N 3.15Å; F32-R35 HydrophobicContact CB-CB 4.18Å; F32-R35 HydrophobicContact CB-CG 3.85Å; F32-R35 HydrophobicContact CD1-CG 4.34Å; F32-R35 WeakPolarHBondContact O-CB 3.24Å; F32-R35 PolarHBondContact O-N 3.49Å; F32-R40 HydrophobicContact CB-CG 4.25Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.16Å; F32-R40 PolarHBondContact O-NE 2.8Å; F32-R43 HydrophobicContact CD2-CB 3.97Å; F32-R43 VanDerWaalsContact CD2-CD 3.48Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.35Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å |
| 33 | R | 93.4 | Very high | 96 | Very high | 200 Ų | 200 | 80.7 Ų | 80.7 | 76% | 0.755 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.6 | -177.4 | -65.6 | -179.6 | 69.8 | -170.6 | 0.5 | 113.9 | T30 G31 R35 | T30-R33 VanDerWaalsContact O-CG 3.32Å; T30-R33 WeakPolarHBondContact O-CG 3.34Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.11Å; R33-R35 VanDerWaalsContact C-N 3.3Å |
| 34 | D | 95.8 | Very high | 96.2 | Very high | 122 Ų | 122 | 72.3 Ų | 72.3 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -10.7 | 174.8 | 61.8 | -55.3 | 0 | 0 | 0 | 113.7 | F32 | F32-D34 PolarHBondContact O-N 3.3Å; F32-D34 VanDerWaalsContact O-N 3.15Å |
| 35 | R | 96.6 | Very high | 96.3 | Very high | 117 Ų | 117 | 68.8 Ų | 68.8 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -100.6 | 156.4 | -172.8 | -58.5 | -63.9 | 167.6 | 153.3 | -1.4 | 113.3 | F32 R33 E39 R40 | F32-R35 HydrophobicContact CB-CB 4.18Å; F32-R35 HydrophobicContact CB-CG 3.85Å; F32-R35 HydrophobicContact CD1-CG 4.34Å; F32-R35 WeakPolarHBondContact O-CB 3.24Å; F32-R35 PolarHBondContact O-N 3.49Å; R33-R35 VanDerWaalsContact C-N 3.3Å; R35-E39 HydrophobicContact CB-CB 4.42Å; R35-R40 HydrophobicContact CB-CG 4.12Å; R35-R40 WeakPolarHBondContact O-CD 3.34Å |
| 36 | P | 97.5 | Very high | 96.3 | Very high | 86 Ų | 86 | 72 Ų | 72 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | trans | -54.9 | 147.1 | 171.8 | -24.4 | 34.6 | 0 | 0 | 0 | 112.3 | E38 E39 R40 | P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 2.91Å; P36-E39 WeakPolarHBondContact O-CB 3.2Å; P36-E39 PolarHBondContact O-N 2.85Å; P36-R40 WeakPolarHBondContact O-CG 3.04Å; P36-R40 PolarHBondContact O-N 3.42Å | ||
| 37 | H | 96.4 | Very high | 96.1 | Very high | 90 Ų | 90 | 68.9 Ų | 68.9 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.7 | -43.4 | -173.4 | -170.7 | 65.6 | 0 | 0 | 0 | 113.6 | E39 R40 Q41 Q117 | H37-E39 VanDerWaalsContact C-N 3.33Å; H37-E39 PolarHBondContact O-N 2.81Å; H37-R40 WeakPolarHBondContact O-CB 3.21Å; H37-R40 PolarHBondContact O-N 2.93Å; H37-R40 VanDerWaalsContact O-N 3.12Å; H37-Q41 PolarHBondContact CD2-NE2 3.38Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.34Å; H37-Q41 PolarHBondContact NE2-NE2 2.8Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.19Å; H37-Q41 WeakPolarHBondContact O-CG 3.46Å; H37-Q41 PolarHBondContact O-N 2.97Å; H37-Q117 PolarHBondContact CE1-O 2.86Å; H37-Q117 VanDerWaalsContact CE1-O 3.31Å; H37-Q117 PolarHBondContact NE2-O 3.33Å |
| 38 | E | 96.8 | Very high | 95.8 | Very high | 137 Ų | 137 | 68.9 Ų | 68.9 | 64% | 0.64 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 176.8 | -172.3 | 177.3 | -168.1 | 0 | 0 | 112.4 | P36 R40 Q41 M42 | P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 2.91Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.07Å; E38-Q41 PolarHBondContact O-N 2.75Å; E38-M42 PolarHBondContact O-N 3.12Å; E38-M42 VanDerWaalsContact O-N 3.13Å |
| 39 | E | 97 | Very high | 95.5 | Very high | 47 Ų | 47 | 70.1 Ų | 70.1 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 175 | -167.3 | -174.6 | 158.3 | 0 | 0 | 110.9 | R35 P36 H37 Q41 M42 R43 | R35-E39 HydrophobicContact CB-CB 4.42Å; P36-E39 WeakPolarHBondContact O-CB 3.2Å; P36-E39 PolarHBondContact O-N 2.85Å; H37-E39 VanDerWaalsContact C-N 3.33Å; H37-E39 PolarHBondContact O-N 2.81Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.8Å; E39-M42 PolarHBondContact O-N 2.86Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.23Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.29Å; E39-R43 PolarHBondContact O-N 2.76Å; E39-R43 IonicContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.49Å; E39-R43 IonicContact OE1-NH2 3.81Å; E39-R43 PolarHBondContact OE1-NH2 2.83Å |
| 40 | R | 97.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 74.3 Ų | 74.3 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.3 | -62.5 | -178.8 | 70.7 | -138.9 | -5.2 | 111.7 | Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119 | Y29-R40 PolarHBondContact O-NH2 2.84Å; G31-R40 PolarHBondContact O-NE 3.09Å; G31-R40 PolarHBondContact O-NH2 2.69Å; F32-R40 HydrophobicContact CB-CG 4.25Å; F32-R40 WeakPolarHBondContact O-CD 3.37Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.16Å; F32-R40 PolarHBondContact O-NE 2.8Å; R35-R40 HydrophobicContact CB-CG 4.12Å; R35-R40 WeakPolarHBondContact O-CD 3.34Å; P36-R40 WeakPolarHBondContact O-CG 3.04Å; P36-R40 PolarHBondContact O-N 3.42Å; H37-R40 WeakPolarHBondContact O-CB 3.21Å; H37-R40 PolarHBondContact O-N 2.93Å; H37-R40 VanDerWaalsContact O-N 3.12Å; E38-R40 VanDerWaalsContact C-N 3.33Å; E38-R40 PolarHBondContact O-N 3.07Å; R40-R43 PolarHBondContact O-N 2.94Å; R40-F44 VanDerWaalsContact O-CB 3.3Å; R40-F44 WeakPolarHBondContact O-CB 3.34Å; R40-F44 PolarHBondContact O-N 2.85Å; R40-L119 HydrophobicContact CB-CD1 3.64Å |
| 41 | Q | 97.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 72.9 Ų | 72.9 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 176.8 | -67.4 | 168.8 | -24.7 | 0 | 0 | 111.5 | H37 E38 E39 R43 F44 Q45 L116 Q117 L119 | H37-Q41 PolarHBondContact CD2-NE2 3.38Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.34Å; H37-Q41 PolarHBondContact NE2-NE2 2.8Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.19Å; H37-Q41 WeakPolarHBondContact O-CG 3.46Å; H37-Q41 PolarHBondContact O-N 2.97Å; E38-Q41 PolarHBondContact O-N 2.75Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.8Å; Q41-R43 PolarHBondContact O-N 2.8Å; Q41-F44 PolarHBondContact O-N 3.43Å; Q41-Q45 WeakPolarHBondContact O-CG 3.33Å; Q41-Q45 PolarHBondContact O-N 3.47Å; Q41-L116 WeakPolarHBondContact CG-O 3.49Å; Q41-Q117 PolarHBondContact NE2-O 2.79Å; Q41-L119 HydrophobicContact CG-CD1 4.07Å; Q41-L119 HydrophobicContact CG-CD2 4.19Å; Q41-L119 HydrophobicContact CG-CG 4.16Å |
| 42 | M | 96.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 80.4 Ų | 80.4 | 51% | 0.507 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 177.4 | -69.7 | -170.8 | -72.4 | 0 | 0 | 111.7 | E38 E39 Q45 N46 | E38-M42 PolarHBondContact O-N 3.12Å; E38-M42 VanDerWaalsContact O-N 3.13Å; E39-M42 PolarHBondContact O-N 2.86Å; M42-Q45 PolarHBondContact O-N 2.93Å; M42-N46 WeakPolarHBondContact O-CB 3.19Å; M42-N46 VanDerWaalsContact O-CG 3.24Å; M42-N46 PolarHBondContact O-N 2.97Å; M42-N46 PolarHBondContact O-ND2 3.49Å |
| 43 | R | 96.2 | Very high | 94.9 | Very high | 96 Ų | 96 | 76.7 Ų | 76.7 | 36% | 0.362 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 178.8 | -74.2 | -178.4 | -179.7 | -76.5 | -2.3 | 112.5 | F32 E39 R40 Q41 N46 A47 | F32-R43 HydrophobicContact CD2-CB 3.97Å; F32-R43 VanDerWaalsContact CD2-CD 3.48Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.35Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.23Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.29Å; E39-R43 PolarHBondContact O-N 2.76Å; E39-R43 IonicContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 3.04Å; E39-R43 PolarHBondContact OE1-NE 3.49Å; E39-R43 IonicContact OE1-NH2 3.81Å; E39-R43 PolarHBondContact OE1-NH2 2.83Å; R40-R43 PolarHBondContact O-N 2.94Å; Q41-R43 PolarHBondContact O-N 2.8Å; R43-N46 PolarHBondContact O-N 3.4Å; R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.41Å |
| 44 | F | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.3 | 169.1 | -106.1 | 0 | 0 | 0 | 111.4 | Y29 R40 Q41 A47 S48 S53 V95 L97 I114 L116 L119 | Y29-F44 HydrophobicContact CD1-CB 4.17Å; Y29-F44 HydrophobicContact CD1-CD2 4.47Å; Y29-F44 HydrophobicContact CD2-CB 4.43Å; Y29-F44 AromaticContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CD2 3.45Å; Y29-F44 VanDerWaalsContact CD2-CD2 3.45Å; Y29-F44 HydrophobicContact CD2-CE2 4.14Å; Y29-F44 HydrophobicContact CD2-CG 4.3Å; Y29-F44 HydrophobicContact CE1-CB 3.96Å; Y29-F44 HydrophobicContact CE2-CB 4.25Å; Y29-F44 AromaticContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CD2 3.74Å; Y29-F44 HydrophobicContact CE2-CG 4.47Å; Y29-F44 HydrophobicContact CG-CB 4.38Å; Y29-F44 AromaticContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CD2 3.85Å; Y29-F44 HydrophobicContact CG-CG 4.36Å; R40-F44 VanDerWaalsContact O-CB 3.3Å; R40-F44 WeakPolarHBondContact O-CB 3.34Å; R40-F44 PolarHBondContact O-N 2.85Å; Q41-F44 PolarHBondContact O-N 3.43Å; F44-A47 PolarHBondContact O-N 3.06Å; F44-S48 WeakPolarHBondContact O-CB 3.45Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 3.42Å; F44-S53 WeakPolarHBondContact CD2-OG 3.4Å; F44-S53 WeakPolarHBondContact CE2-OG 2.9Å; F44-V95 HydrophobicContact CE1-CG1 3.59Å; F44-V95 HydrophobicContact CZ-CG1 3.6Å; F44-L97 HydrophobicContact CE2-CD1 4.5Å; F44-L97 HydrophobicContact CZ-CD1 4.18Å; F44-I114 HydrophobicContact CE1-CB 4.22Å; F44-I114 HydrophobicContact CE1-CG2 3.81Å; F44-I114 HydrophobicContact CE2-CD1 3.67Å; F44-I114 HydrophobicContact CE2-CG2 4.38Å; F44-I114 HydrophobicContact CZ-CB 3.77Å; F44-I114 HydrophobicContact CZ-CD1 3.63Å; F44-I114 HydrophobicContact CZ-CG1 4.26Å; F44-I114 HydrophobicContact CZ-CG2 3.67Å; F44-L116 HydrophobicContact CD1-CD2 4.31Å; F44-L116 HydrophobicContact CE1-CD2 3.89Å; F44-L119 HydrophobicContact CB-CD2 4.04Å; F44-L119 HydrophobicContact CD1-CD2 3.78Å; F44-L119 HydrophobicContact CG-CD2 4.01Å |
| 45 | Q | 94.9 | Very high | 95 | Very high | 47 Ų | 47 | 66 Ų | 66 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.4 | -72.9 | -180 | 53.9 | 0 | 0 | 111.9 | Q41 M42 S48 R49 F88 L116 | Q41-Q45 WeakPolarHBondContact O-CG 3.33Å; Q41-Q45 PolarHBondContact O-N 3.47Å; M42-Q45 PolarHBondContact O-N 2.93Å; Q45-S48 PolarHBondContact O-N 2.97Å; Q45-R49 WeakPolarHBondContact O-CG 3.32Å; Q45-R49 PolarHBondContact O-N 2.79Å; Q45-F88 HydrophobicContact CG-CE1 4.37Å; Q45-L116 HydrophobicContact CG-CD2 3.97Å |
| 46 | N | 94.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 61 Ų | 61 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 178.4 | -69.4 | -14.7 | 0 | 0 | 0 | 111.6 | M42 R43 S48 R49 D50 | M42-N46 WeakPolarHBondContact O-CB 3.19Å; M42-N46 VanDerWaalsContact O-CG 3.24Å; M42-N46 PolarHBondContact O-N 2.97Å; M42-N46 PolarHBondContact O-ND2 3.49Å; R43-N46 PolarHBondContact O-N 3.4Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.85Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 PolarHBondContact O-N 3.39Å; N46-R49 VanDerWaalsContact O-N 3.15Å; N46-D50 VanDerWaalsContact O-CG 3.27Å; N46-D50 PolarHBondContact O-N 3.13Å |
| 47 | A | 93.1 | Very high | 95 | Very high | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | R43 F44 R49 D50 G51 R52 | R43-A47 WeakPolarHBondContact O-CB 3.2Å; R43-A47 PolarHBondContact O-N 3.41Å; F44-A47 PolarHBondContact O-N 3.06Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.31Å; A47-D50 CarbonylContact O-C 3.57Å; A47-D50 WeakPolarHBondContact O-CA 3.28Å; A47-D50 WeakPolarHBondContact O-CB 3.4Å; A47-D50 PolarHBondContact O-N 3.5Å; A47-D50 VanDerWaalsContact O-N 3.07Å; A47-G51 PolarHBondContact O-N 3.1Å; A47-G51 VanDerWaalsContact O-N 3.08Å; A47-R52 CarbonylContact C-O 3.44Å; A47-R52 HydrophobicContact CB-CG 4.39Å; A47-R52 WeakPolarHBondContact CB-O 3.22Å; A47-R52 PolarHBondContact O-N 3.24Å |
| 48 | S | 93.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | F44 Q45 N46 D50 G51 R52 | F44-S48 WeakPolarHBondContact O-CB 3.45Å; F44-S48 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-OG 3.42Å; Q45-S48 PolarHBondContact O-N 2.97Å; N46-S48 VanDerWaalsContact C-N 3.28Å; N46-S48 PolarHBondContact O-N 2.85Å; S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 2.96Å; S48-G51 PolarHBondContact O-N 3.4Å; S48-G51 VanDerWaalsContact O-N 3.08Å; S48-R52 PolarHBondContact N-O 2.93Å |
| 49 | R | 91.3 | Very high | 94.6 | Very high | 117 Ų | 117 | 53.2 Ų | 53.2 | 44% | 0.442 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.3 | -27.1 | 171.8 | -69.1 | 175.5 | -173.8 | 131.2 | 4.7 | 113.3 | Q45 N46 A47 G51 P81 F88 | Q45-R49 WeakPolarHBondContact O-CG 3.32Å; Q45-R49 PolarHBondContact O-N 2.79Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 PolarHBondContact O-N 3.39Å; N46-R49 VanDerWaalsContact O-N 3.15Å; A47-R49 VanDerWaalsContact C-N 3.35Å; A47-R49 PolarHBondContact O-N 3.31Å; R49-G51 PolarHBondContact O-N 2.94Å; R49-P81 WeakPolarHBondContact O-CD 3.14Å; R49-F88 HydrophobicContact CG-CE2 3.75Å; R49-F88 HydrophobicContact CG-CZ 4.07Å |
| 50 | D | 90.4 | Very high | 94.3 | Very high | 99 Ų | 99 | 53.7 Ų | 53.7 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2.7 | 172.4 | -66 | -20.5 | 0 | 0 | 0 | 112.5 | N46 A47 S48 | N46-D50 VanDerWaalsContact O-CG 3.27Å; N46-D50 PolarHBondContact O-N 3.13Å; A47-D50 CarbonylContact O-C 3.57Å; A47-D50 WeakPolarHBondContact O-CA 3.28Å; A47-D50 WeakPolarHBondContact O-CB 3.4Å; A47-D50 PolarHBondContact O-N 3.5Å; A47-D50 VanDerWaalsContact O-N 3.07Å; S48-D50 VanDerWaalsContact C-N 3.29Å; S48-D50 PolarHBondContact O-N 2.96Å |
| 51 | G | 90.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 22.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A47 S48 R49 Q67 F68 | A47-G51 PolarHBondContact O-N 3.1Å; A47-G51 VanDerWaalsContact O-N 3.08Å; S48-G51 PolarHBondContact O-N 3.4Å; S48-G51 VanDerWaalsContact O-N 3.08Å; R49-G51 PolarHBondContact O-N 2.94Å; G51-Q67 WeakPolarHBondContact O-CA 3.44Å; G51-F68 PolarHBondContact O-N 2.79Å |
| 52 | R | 92.7 | Very high | 93.9 | Very high | 162 Ų | 162 | 53.6 Ų | 53.6 | 61% | 0.611 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 150.7 | 178.4 | 61.4 | -178.7 | 177.2 | 167.9 | -0.7 | 113.4 | A47 S48 L66 | A47-R52 CarbonylContact C-O 3.44Å; A47-R52 HydrophobicContact CB-CG 4.39Å; A47-R52 WeakPolarHBondContact CB-O 3.22Å; A47-R52 PolarHBondContact O-N 3.24Å; S48-R52 PolarHBondContact N-O 2.93Å; R52-L66 VanDerWaalsContact CA-O 3.3Å; R52-L66 WeakPolarHBondContact CA-O 3.48Å |
| 53 | S | 94.9 | Very high | 93.9 | Very high | 8 Ų | 8 | 54 Ų | 54 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 167.9 | 170.5 | -158.7 | 0 | 0 | 0 | 0 | 111.8 | F44 L66 | F44-S53 WeakPolarHBondContact CD2-OG 3.4Å; F44-S53 WeakPolarHBondContact CE2-OG 2.9Å; S53-L66 PolarHBondContact N-O 3.41Å; S53-L66 PolarHBondContact O-N 3.39Å |
| 54 | E | 95.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 50 Ų | 50 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.2 | 176.9 | -68 | 178.8 | 179.6 | 0 | 0 | 109.1 | Y29 T30 | Y29-E54 WeakPolarHBondContact CD2-O 3.41Å; T30-E54 PolarHBondContact N-O 3.5Å; T30-E54 VanDerWaalsContact N-O 3.09Å; T30-E54 PolarHBondContact OG1-O 3Å |
| 55 | I | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 159.5 | -178.8 | 65.7 | 83.9 | 0 | 0 | 0 | 110.6 | I27 K28 F57 N63 L64 L66 W110 I114 | I27-I55 HydrophobicContact CD1-CG2 4.49Å; I27-I55 HydrophobicContact CG2-CD1 4.27Å; K28-I55 CarbonylContact O-C 3.5Å; K28-I55 VanDerWaalsContact O-CA 3.28Å; K28-I55 WeakPolarHBondContact O-CA 3.44Å; I55-F57 HydrophobicContact CD1-CD2 4.26Å; I55-F57 HydrophobicContact CD1-CE2 4.24Å; I55-N63 CarbonylContact O-C 3.53Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; I55-L64 HydrophobicContact CD1-CB 4.04Å; I55-L64 HydrophobicContact CD1-CD1 4.3Å; I55-L64 HydrophobicContact CD1-CG 4.41Å; I55-L64 HydrophobicContact CG1-CB 4.38Å; I55-L64 PolarHBondContact N-O 3.44Å; I55-L64 PolarHBondContact O-N 3.16Å; I55-L66 HydrophobicContact CG1-CD1 3.69Å; I55-L66 HydrophobicContact CG1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CG 4.03Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; I55-W110 HydrophobicContact CD1-CZ2 4.42Å; I55-W110 HydrophobicContact CG1-CZ2 4.35Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å |
| 56 | A | 97.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I27 K28 T30 V58 T62 N63 | I27-A56 CarbonylContact C-O 3.51Å; I27-A56 WeakPolarHBondContact CA-O 3.07Å; K28-A56 PolarHBondContact N-O 3.16Å; K28-A56 PolarHBondContact O-N 3.28Å; T30-A56 HydrophobicContact CG2-CB 3.46Å; T30-A56 VanDerWaalsContact CG2-CB 3.46Å; A56-V58 PolarHBondContact O-N 2.86Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.5Å; A56-N63 WeakPolarHBondContact CB-OD1 3.13Å |
| 57 | F | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 118.6 | 164 | -75.8 | -85.8 | 0 | 0 | 0 | 109.3 | L21 C25 I27 I55 T60 G61 T62 L64 W110 G123 | L21-F57 HydrophobicContact CB-CZ 4.42Å; L21-F57 HydrophobicContact CD1-CD2 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.02Å; L21-F57 HydrophobicContact CD2-CD1 3.79Å; L21-F57 HydrophobicContact CD2-CD2 3.68Å; L21-F57 HydrophobicContact CD2-CE1 4.09Å; L21-F57 HydrophobicContact CD2-CE2 3.98Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.18Å; C25-F57 HydrophobicContact CB-CD1 3.6Å; C25-F57 HydrophobicContact CB-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CD1 3.72Å; I27-F57 HydrophobicContact CG2-CE1 3.93Å; I27-F57 HydrophobicContact CG2-CG 4.12Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I55-F57 HydrophobicContact CD1-CD2 4.26Å; I55-F57 HydrophobicContact CD1-CE2 4.24Å; F57-T60 WeakPolarHBondContact CB-OG1 3.46Å; F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.22Å; F57-G61 PolarHBondContact O-N 2.9Å; F57-T62 PolarHBondContact N-O 3.29Å; F57-T62 PolarHBondContact O-N 2.93Å; F57-L64 HydrophobicContact CD2-CD1 4.29Å; F57-L64 HydrophobicContact CE2-CD1 3.64Å; F57-L64 HydrophobicContact CE2-CG 4.42Å; F57-W110 AromaticContact CE2-CD1 3.94Å; F57-W110 AromaticContact CE2-NE1 3.81Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.48Å; F57-G123 WeakPolarHBondContact CE1-O 3.3Å |
| 58 | V | 94.7 | Very high | 93.3 | Very high | 63 Ų | 63 | 53.2 Ų | 53.2 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -42.5 | -174.7 | 178 | 0 | 0 | 0 | 0 | 111.1 | E26 K28 A56 T60 | E26-V58 HydrophobicContact CB-CB 4.17Å; E26-V58 HydrophobicContact CB-CG2 4.18Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.85Å; E26-V58 PolarHBondContact O-N 2.86Å; K28-V58 HydrophobicContact CB-CG2 4.42Å; K28-V58 HydrophobicContact CD-CG2 3.92Å; K28-V58 HydrophobicContact CG-CG2 3.69Å; A56-V58 PolarHBondContact O-N 2.86Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.82Å |
| 59 | A | 88.6 | Confident | 92.8 | Very high | 86 Ų | 86 | 55.1 Ų | 55.1 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -35.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 60 | T | 91.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -13.5 | -176.4 | 61.8 | 0 | 0 | 0 | 0 | 113.4 | K20 L21 F57 V58 T62 | K20-T60 HydrophobicContact CB-CG2 4.23Å; K20-T60 HydrophobicContact CD-CG2 4.31Å; L21-T60 HydrophobicContact CD2-CG2 3.98Å; F57-T60 WeakPolarHBondContact CB-OG1 3.46Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 2.82Å; T60-T62 WeakPolarHBondContact CB-OG1 3.4Å; T60-T62 PolarHBondContact O-N 3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.31Å; T60-T62 PolarHBondContact OG1-N 2.93Å; T60-T62 PolarHBondContact OG1-OG1 2.69Å |
| 61 | G | 92.7 | Very high | 90.5 | Very high | 49 Ų | 49 | 47.9 Ų | 47.9 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 13.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F57 N63 | F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.22Å; F57-G61 PolarHBondContact O-N 2.9Å; G61-N63 PolarHBondContact O-N 2.98Å |
| 62 | T | 94.1 | Very high | 88.9 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 117.4 | -177.5 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | F17 L21 A56 F57 T60 L64 | F17-T62 HydrophobicContact CE2-CG2 3.99Å; F17-T62 HydrophobicContact CZ-CG2 4.17Å; L21-T62 HydrophobicContact CD1-CG2 4.3Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.5Å; F57-T62 PolarHBondContact N-O 3.29Å; F57-T62 PolarHBondContact O-N 2.93Å; T60-T62 WeakPolarHBondContact CB-OG1 3.4Å; T60-T62 PolarHBondContact O-N 3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.31Å; T60-T62 PolarHBondContact OG1-N 2.93Å; T60-T62 PolarHBondContact OG1-OG1 2.69Å; T62-L64 HydrophobicContact CG2-CD2 4.3Å |
| 63 | N | 95.3 | Very high | 87.3 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 59% | 0.588 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136.9 | 173.7 | -61 | -76.6 | 0 | 0 | 0 | 110.5 | I55 A56 G61 | I55-N63 CarbonylContact O-C 3.53Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; A56-N63 WeakPolarHBondContact CB-OD1 3.13Å; G61-N63 PolarHBondContact O-N 2.98Å |
| 64 | L | 94.8 | Very high | 85.2 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.7 | 173.9 | -63.1 | -176.5 | 0 | 0 | 0 | 110.2 | I55 F57 T62 L66 L103 | I55-L64 HydrophobicContact CD1-CB 4.04Å; I55-L64 HydrophobicContact CD1-CD1 4.3Å; I55-L64 HydrophobicContact CD1-CG 4.41Å; I55-L64 HydrophobicContact CG1-CB 4.38Å; I55-L64 PolarHBondContact N-O 3.44Å; I55-L64 PolarHBondContact O-N 3.16Å; F57-L64 HydrophobicContact CD2-CD1 4.29Å; F57-L64 HydrophobicContact CE2-CD1 3.64Å; F57-L64 HydrophobicContact CE2-CG 4.42Å; T62-L64 HydrophobicContact CG2-CD2 4.3Å; L64-L66 HydrophobicContact CB-CD2 3.91Å; L64-L66 HydrophobicContact CD1-CD2 4.33Å; L64-L103 HydrophobicContact CD2-CD1 4.39Å; L64-L103 HydrophobicContact CD2-CD2 4.45Å |
| 65 | S | 94.8 | Very high | 83.1 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.8 | 163.5 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | ||
| 66 | L | 94.1 | Very high | 80.7 | Confident | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.9 | -176.5 | -56 | -177 | 0 | 0 | 0 | 110.6 | R52 S53 I55 L64 F68 A99 M101 W110 | R52-L66 VanDerWaalsContact CA-O 3.3Å; R52-L66 WeakPolarHBondContact CA-O 3.48Å; S53-L66 PolarHBondContact N-O 3.41Å; S53-L66 PolarHBondContact O-N 3.39Å; I55-L66 HydrophobicContact CG1-CD1 3.69Å; I55-L66 HydrophobicContact CG1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CG 4.03Å; I55-L66 HydrophobicContact CG2-CD1 4.25Å; L64-L66 HydrophobicContact CB-CD2 3.91Å; L64-L66 HydrophobicContact CD1-CD2 4.33Å; L66-F68 HydrophobicContact CB-CE1 3.72Å; L66-F68 HydrophobicContact CB-CZ 3.94Å; L66-F68 HydrophobicContact CD1-CE1 3.96Å; L66-F68 HydrophobicContact CD1-CZ 4.19Å; L66-A99 HydrophobicContact CB-CB 4.04Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.47Å; L66-M101 HydrophobicContact CD2-CE 3.61Å; L66-W110 HydrophobicContact CD1-CD2 3.75Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.23Å; L66-W110 HydrophobicContact CD1-CZ3 3.44Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.44Å; L66-W110 HydrophobicContact CD2-CB 4.22Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 4.03Å; L66-W110 HydrophobicContact CG-CE3 4.46Å |
| 67 | Q | 91.9 | Very high | 78.6 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.3 | 169.7 | -171.8 | 171.7 | 11.5 | 0 | 0 | 108.8 | G51 F69 A99 | G51-Q67 WeakPolarHBondContact O-CA 3.44Å; Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.35Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 3.49Å; Q67-A99 WeakPolarHBondContact O-CB 3.36Å |
| 68 | F | 88.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 47% | 0.471 | C | S | . | . | trans | -97.1 | 38.8 | -172.6 | -52.6 | -49.5 | 0 | 0 | 0 | 111.6 | G51 L66 P81 Y85 V86 L97 K98 A99 | G51-F68 PolarHBondContact O-N 2.79Å; L66-F68 HydrophobicContact CB-CE1 3.72Å; L66-F68 HydrophobicContact CB-CZ 3.94Å; L66-F68 HydrophobicContact CD1-CE1 3.96Å; L66-F68 HydrophobicContact CD1-CZ 4.19Å; F68-P81 HydrophobicContact CB-CB 4.04Å; F68-P81 WeakPolarHBondContact O-CB 3.48Å; F68-Y85 WeakPolarHBondContact O-CB 3.13Å; F68-V86 HydrophobicContact CB-CG2 3.71Å; F68-V86 HydrophobicContact CD1-CG2 4.46Å; F68-V86 HydrophobicContact CD2-CG2 3.59Å; F68-V86 HydrophobicContact CE2-CG2 4.37Å; F68-V86 HydrophobicContact CG-CG2 3.67Å; F68-L97 HydrophobicContact CD2-CD2 4.49Å; F68-L97 HydrophobicContact CE1-CB 4.04Å; F68-L97 HydrophobicContact CE1-CD1 4.42Å; F68-L97 HydrophobicContact CE1-CD2 4.12Å; F68-L97 HydrophobicContact CE1-CG 4.43Å; F68-L97 HydrophobicContact CE2-CD2 4.03Å; F68-L97 HydrophobicContact CZ-CB 4.37Å; F68-L97 HydrophobicContact CZ-CD1 3.95Å; F68-L97 HydrophobicContact CZ-CD2 3.83Å; F68-L97 HydrophobicContact CZ-CG 4.28Å; F68-K98 WeakPolarHBondContact CD1-O 3.44Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.05Å | ||
| 69 | F | 82.6 | Confident | 75.3 | Confident | 39 Ų | 39 | 89.2 Ų | 89.2 | 17% | 0.171 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -129.3 | 154.4 | 178.4 | -61.7 | -74.4 | 0 | 0 | 0 | 109.8 | Q67 Q79 P81 P100 | Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.35Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 3.49Å; F69-Q79 WeakPolarHBondContact CE1-O 3.4Å; F69-Q79 WeakPolarHBondContact CZ-O 3.46Å; F69-P81 HydrophobicContact CE1-CB 4.25Å; F69-P100 WeakPolarHBondContact O-CG 3.27Å |
| 70 | P | 70.3 | Confident | 74.6 | Confident | 29 Ų | 29 | 90.6 Ų | 90.6 | 19% | 0.188 | 47% | 0.474 | C | S | . | . | trans | -64.3 | 144.5 | 170.6 | -15.3 | 31.1 | 0 | 0 | 0 | 109.8 | N72 W73 Y85 | P70-N72 WeakPolarHBondContact CB-OD1 3.45Å; P70-N72 PolarHBondContact O-N 3.03Å; P70-N72 VanDerWaalsContact O-N 3.13Å; P70-W73 HydrophobicContact CB-CE3 3.71Å; P70-W73 HydrophobicContact CB-CZ3 4.15Å; P70-W73 HydrophobicContact CG-CD2 4.36Å; P70-W73 HydrophobicContact CG-CE3 3.37Å; P70-W73 HydrophobicContact CG-CZ3 3.53Å; P70-W73 VanDerWaalsContact O-CB 3.31Å; P70-W73 WeakPolarHBondContact O-CB 3.46Å; P70-W73 PolarHBondContact O-N 2.87Å; P70-W73 VanDerWaalsContact O-N 3.09Å; P70-Y85 HydrophobicContact CG-CE2 4.12Å | ||
| 71 | A | 61.9 | Low | 74.2 | Confident | 36 Ų | 36 | 88.8 Ų | 88.8 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -8.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 72 | N | 57.7 | Low | 74 | Confident | 131 Ų | 131 | 90.1 Ų | 90.1 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.7 | 174.1 | 55.6 | -8.9 | 0 | 0 | 0 | 112.8 | P70 H74 | P70-N72 WeakPolarHBondContact CB-OD1 3.45Å; P70-N72 PolarHBondContact O-N 3.03Å; P70-N72 VanDerWaalsContact O-N 3.13Å; N72-H74 PolarHBondContact O-N 2.89Å; N72-H74 VanDerWaalsContact O-N 3.08Å |
| 73 | W | 59 | Low | 73.7 | Confident | 142 Ų | 142 | 95.8 Ų | 95.8 | 54% | 0.538 | 48% | 0.48 | S | S | . | . | trans | -86.9 | 72.2 | -176.5 | -126.1 | -79 | 0 | 0 | 0 | 111.8 | P70 | P70-W73 HydrophobicContact CB-CE3 3.71Å; P70-W73 HydrophobicContact CB-CZ3 4.15Å; P70-W73 HydrophobicContact CG-CD2 4.36Å; P70-W73 HydrophobicContact CG-CE3 3.37Å; P70-W73 HydrophobicContact CG-CZ3 3.53Å; P70-W73 VanDerWaalsContact O-CB 3.31Å; P70-W73 WeakPolarHBondContact O-CB 3.46Å; P70-W73 PolarHBondContact O-N 2.87Å; P70-W73 VanDerWaalsContact O-N 3.09Å | ||
| 74 | H | 52.1 | Low | 73.5 | Confident | 178 Ų | 178 | 96 Ų | 96 | 82% | 0.824 | 48% | 0.478 | S | S | * | . | trans | -97.3 | 90.1 | 167.1 | -73.7 | -72.3 | 0 | 0 | 0 | 109.3 | N72 | N72-H74 PolarHBondContact O-N 2.89Å; N72-H74 VanDerWaalsContact O-N 3.08Å | ||
| 75 | G | 50.8 | Low | 73.4 | Confident | 55 Ų | 55 | 96.9 Ų | 96.9 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | trans | -146.6 | 137.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q77 | G75-Q77 PolarHBondContact O-N 2.77Š| ||
| 76 | E | 47.3 | Very low | 73.4 | Confident | 209 Ų | 209 | 93.1 Ų | 93.1 | 98% | 0.977 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -61.6 | 0.8 | -177 | -110.6 | 167 | 161.7 | 0 | 0 | 116.1 | ||
| 77 | Q | 53.1 | Low | 73.5 | Confident | 147 Ų | 147 | 94.1 Ų | 94.1 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -89.7 | 121.6 | 178.9 | -71.8 | -75.4 | -12.6 | 0 | 0 | 109.2 | G75 Q79 | G75-Q77 PolarHBondContact O-N 2.77Å; Q77-Q79 HydrophobicContact CB-CG 4.06Å; Q77-Q79 PolarHBondContact O-N 3.02Å |
| 78 | R | 56.8 | Low | 73.7 | Confident | 253 Ų | 253 | 90.7 Ų | 90.7 | 96% | 0.955 | 44% | 0.442 | S | S | * | . | trans | -62.7 | 80.7 | 168.8 | -71.7 | -175.1 | -176.9 | -165.2 | 1.5 | 109.2 | ||||
| 79 | Q | 63.6 | Low | 74 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -91.4 | 137.5 | 176.5 | -74.9 | 177.4 | 6.3 | 0 | 0 | 109.2 | F69 Q77 | F69-Q79 WeakPolarHBondContact CE1-O 3.4Å; F69-Q79 WeakPolarHBondContact CZ-O 3.46Å; Q77-Q79 HydrophobicContact CB-CG 4.06Å; Q77-Q79 PolarHBondContact O-N 3.02Å |
| 80 | T | 74.6 | Confident | 74.5 | Confident | 115 Ų | 115 | 102.5 Ų | 102.5 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 140.2 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 81 | P | 82.9 | Confident | 75.7 | Confident | 19 Ų | 19 | 104.6 Ų | 104.6 | 12% | 0.123 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 143.6 | 175.7 | 28.7 | -35 | 0 | 0 | 0 | 109.9 | R49 F68 F69 V86 | R49-P81 WeakPolarHBondContact O-CD 3.14Å; F68-P81 HydrophobicContact CB-CB 4.04Å; F68-P81 WeakPolarHBondContact O-CB 3.48Å; F69-P81 HydrophobicContact CE1-CB 4.25Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.83Å; P81-V86 HydrophobicContact CG-CB 4.23Å; P81-V86 HydrophobicContact CG-CG2 3.74Å |
| 82 | T | 87.6 | Confident | 77.3 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 162.5 | 177 | 66.1 | 0 | 0 | 0 | 0 | 110.4 | E84 Y85 V86 | T82-E84 PolarHBondContact O-N 3.37Å; T82-E84 VanDerWaalsContact O-N 3.1Å; T82-Y85 PolarHBondContact O-N 3.46Å; T82-Y85 VanDerWaalsContact OG1-CD2 3.26Å; T82-Y85 WeakPolarHBondContact OG1-CD2 3.4Å; T82-V86 PolarHBondContact O-N 2.76Å; T82-V86 VanDerWaalsContact O-N 3.09Å |
| 83 | R | 88.9 | Confident | 79 | Confident | 146 Ų | 146 | 104.1 Ų | 104.1 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.7 | 176.6 | -172 | 173.9 | 170.2 | 168.7 | 0.3 | 113.5 | Y85 V86 D87 D89 | R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; R83-V86 WeakPolarHBondContact CA-O 3.34Å; R83-D87 HydrophobicContact CG-CB 4.14Å; R83-D87 IonicContact CZ-OD1 3.47Å; R83-D87 IonicContact CZ-OD2 3.67Å; R83-D87 IonicContact NE-OD1 3.91Å; R83-D87 PolarHBondContact NE-OD1 2.9Å; R83-D87 IonicContact NE-OD2 3.97Å; R83-D87 PolarHBondContact NE-OD2 3.46Å; R83-D87 IonicContact NH2-OD1 2.97Å; R83-D87 IonicContact NH2-OD2 3.78Å; R83-D87 PolarHBondContact NH2-OD2 3.4Å; R83-D89 IonicContact CZ-OD2 3.39Å; R83-D89 IonicContact NH1-OD2 3.16Å |
| 84 | E | 91.1 | Very high | 80.9 | Confident | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -34.6 | 173.9 | -169.2 | -166.7 | 157.5 | 0 | 0 | 112.4 | T82 K98 | T82-E84 PolarHBondContact O-N 3.37Å; T82-E84 VanDerWaalsContact O-N 3.1Å; E84-K98 IonicContact OE1-NZ 3.4Å; E84-K98 PolarHBondContact OE1-NZ 2.81Å |
| 85 | Y | 92.6 | Very high | 83 | Confident | 32 Ų | 32 | 90.7 Ų | 90.7 | 13% | 0.125 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -31.1 | -178.4 | -62.6 | -77.5 | 0 | 0 | 0 | 113.1 | F68 P70 T82 R83 L97 K98 P100 | F68-Y85 WeakPolarHBondContact O-CB 3.13Å; P70-Y85 HydrophobicContact CG-CE2 4.12Å; T82-Y85 PolarHBondContact O-N 3.46Å; T82-Y85 VanDerWaalsContact OG1-CD2 3.26Å; T82-Y85 WeakPolarHBondContact OG1-CD2 3.4Å; R83-Y85 VanDerWaalsContact C-N 3.29Å; R83-Y85 PolarHBondContact O-N 2.86Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.41Å; Y85-K98 HydrophobicContact CD1-CB 4.32Å; Y85-K98 HydrophobicContact CD1-CD 4.38Å; Y85-K98 HydrophobicContact CD1-CG 4.25Å; Y85-K98 WeakPolarHBondContact CD1-O 3.41Å; Y85-K98 HydrophobicContact CE1-CD 4.44Å; Y85-K98 PolarHBondContact O-N 3.07Å; Y85-P100 HydrophobicContact CE1-CG 3.95Å |
| 86 | V | 95.2 | Very high | 85.2 | Confident | 12 Ų | 12 | 90.2 Ų | 90.2 | 7% | 0.073 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 107.9 | -179.9 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | F68 P81 T82 R83 F88 V95 L97 | F68-V86 HydrophobicContact CB-CG2 3.71Å; F68-V86 HydrophobicContact CD1-CG2 4.46Å; F68-V86 HydrophobicContact CD2-CG2 3.59Å; F68-V86 HydrophobicContact CE2-CG2 4.37Å; F68-V86 HydrophobicContact CG-CG2 3.67Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.83Å; P81-V86 HydrophobicContact CG-CB 4.23Å; P81-V86 HydrophobicContact CG-CG2 3.74Å; T82-V86 PolarHBondContact O-N 2.76Å; T82-V86 VanDerWaalsContact O-N 3.09Å; R83-V86 WeakPolarHBondContact CA-O 3.34Å; V86-F88 HydrophobicContact CG1-CD2 3.92Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4.1Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; V86-L97 HydrophobicContact CB-CD2 4.21Å; V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG2-CD2 3.9Å |
| 87 | D | 95.6 | Very high | 87.6 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 107.4 | -179.9 | -163.1 | -23 | 0 | 0 | 0 | 111.3 | R83 D89 R90 V95 Y96 | R83-D87 HydrophobicContact CG-CB 4.14Å; R83-D87 IonicContact CZ-OD1 3.47Å; R83-D87 IonicContact CZ-OD2 3.67Å; R83-D87 IonicContact NE-OD1 3.91Å; R83-D87 PolarHBondContact NE-OD1 2.9Å; R83-D87 IonicContact NE-OD2 3.97Å; R83-D87 PolarHBondContact NE-OD2 3.46Å; R83-D87 IonicContact NH2-OD1 2.97Å; R83-D87 IonicContact NH2-OD2 3.78Å; R83-D87 PolarHBondContact NH2-OD2 3.4Å; D87-D89 WeakPolarHBondContact OD1-CA 3.47Å; D87-D89 PolarHBondContact OD1-N 2.98Å; D87-R90 HydrophobicContact CB-CB 4.31Å; D87-R90 PolarHBondContact OD1-N 3.41Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; D87-Y96 PolarHBondContact N-O 2.96Å; D87-Y96 PolarHBondContact O-N 3.01Å |
| 88 | F | 94.9 | Very high | 89.6 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 21% | 0.206 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -88.7 | -14.8 | 173 | -69.5 | -85.1 | 0 | 0 | 0 | 113.2 | Q45 R49 V86 V95 L116 | Q45-F88 HydrophobicContact CG-CE1 4.37Å; R49-F88 HydrophobicContact CG-CE2 3.75Å; R49-F88 HydrophobicContact CG-CZ 4.07Å; V86-F88 HydrophobicContact CG1-CD2 3.92Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4.1Å; F88-V95 HydrophobicContact CD1-CB 3.77Å; F88-V95 HydrophobicContact CD1-CG2 3.74Å; F88-V95 HydrophobicContact CD2-CG2 4.21Å; F88-V95 HydrophobicContact CE1-CB 3.78Å; F88-V95 HydrophobicContact CE1-CG1 4.43Å; F88-V95 HydrophobicContact CE1-CG2 3.66Å; F88-V95 HydrophobicContact CE2-CG2 4.14Å; F88-V95 HydrophobicContact CG-CB 4.44Å; F88-V95 HydrophobicContact CG-CG2 4.02Å; F88-V95 HydrophobicContact CZ-CB 4.46Å; F88-V95 HydrophobicContact CZ-CG2 3.88Å; F88-L116 HydrophobicContact CD1-CD1 4.28Å; F88-L116 HydrophobicContact CD1-CD2 4.33Å; F88-L116 HydrophobicContact CE1-CD2 4.03Å |
| 89 | D | 94.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 66% | 0.658 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -96 | -13.8 | -171.4 | -62.5 | -29.8 | 0 | 0 | 0 | 111.9 | R83 D87 E91 | R83-D89 IonicContact CZ-OD2 3.39Å; R83-D89 IonicContact NH1-OD2 3.16Å; D87-D89 WeakPolarHBondContact OD1-CA 3.47Å; D87-D89 PolarHBondContact OD1-N 2.98Å; D89-E91 PolarHBondContact O-N 3.3Å |
| 90 | R | 94.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 60 Ų | 60 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -62.5 | -39.6 | -179.4 | 179.9 | 168.3 | 175.2 | -177 | 1.2 | 113.2 | D87 Y96 | D87-R90 HydrophobicContact CB-CB 4.31Å; D87-R90 PolarHBondContact OD1-N 3.41Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.44Å; R90-Y96 HydrophobicContact CG-CD2 3.78Å; R90-Y96 HydrophobicContact CG-CE2 3.77Å; R90-Y96 HydrophobicContact CG-CG 4.31Å |
| 91 | E | 95.6 | Very high | 93.7 | Very high | 72 Ų | 72 | 55.9 Ų | 55.9 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -150.4 | 130.7 | 177 | -167.2 | -179 | 147.2 | 0 | 0 | 110.3 | D89 G93 K94 Y96 | D89-E91 PolarHBondContact O-N 3.3Å; E91-G93 PolarHBondContact O-N 3.35Å; E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.37Å; E91-K94 PolarHBondContact O-N 2.89Å; E91-K94 VanDerWaalsContact O-N 3.16Å; E91-K94 WeakPolarHBondContact OE1-CD 3.21Å; E91-K94 WeakPolarHBondContact OE1-CE 3.33Å; E91-K94 IonicContact OE1-NZ 3.29Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.74Å; E91-Y96 HydrophobicContact CB-CE2 3.74Å; E91-Y96 PolarHBondContact OE2-OH 3.06Å |
| 92 | S | 94.4 | Very high | 94.1 | Very high | 125 Ų | 125 | 57 Ų | 57 | 87% | 0.874 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 132.6 | -178.1 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | K94 | S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 2.87Å |
| 93 | G | 94.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | E91 L116 | E91-G93 PolarHBondContact O-N 3.35Å; G93-L116 WeakPolarHBondContact O-CB 3.4Å; G93-L116 WeakPolarHBondContact O-CG 3.49Å; G93-L116 PolarHBondContact O-N 3.15Å |
| 94 | K | 97.4 | Very high | 94.4 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159.7 | 175.3 | -65.9 | 177.7 | -174.8 | 167.2 | 0 | 111.5 | E91 S92 Y96 W113 I114 | E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.37Å; E91-K94 PolarHBondContact O-N 2.89Å; E91-K94 VanDerWaalsContact O-N 3.16Å; E91-K94 WeakPolarHBondContact OE1-CD 3.21Å; E91-K94 WeakPolarHBondContact OE1-CE 3.33Å; E91-K94 IonicContact OE1-NZ 3.29Å; E91-K94 PolarHBondContact OE1-NZ 3.4Å; E91-K94 IonicContact OE2-NZ 2.74Å; S92-K94 VanDerWaalsContact C-N 3.27Å; S92-K94 PolarHBondContact O-N 2.87Å; K94-Y96 HydrophobicContact CB-CE2 4.5Å; K94-W113 HydrophobicContact CD-CD2 4.04Å; K94-W113 HydrophobicContact CD-CE3 3.5Å; K94-W113 VanDerWaalsContact CD-CE3 3.5Å; K94-W113 HydrophobicContact CD-CZ3 3.81Å; K94-W113 HydrophobicContact CG-CE3 3.99Å; K94-W113 HydrophobicContact CG-CZ3 4.31Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 VanDerWaalsContact CA-O 3.27Å; K94-I114 WeakPolarHBondContact CA-O 3.24Å |
| 95 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.4 | 167.2 | 61.4 | 0 | 0 | 0 | 0 | 109.1 | F44 V86 D87 F88 L97 W113 I114 L116 | F44-V95 HydrophobicContact CE1-CG1 3.59Å; F44-V95 HydrophobicContact CZ-CG1 3.6Å; V86-V95 HydrophobicContact CG1-CG2 3.94Å; D87-V95 WeakPolarHBondContact O-CA 3.43Å; F88-V95 HydrophobicContact CD1-CB 3.77Å; F88-V95 HydrophobicContact CD1-CG2 3.74Å; F88-V95 HydrophobicContact CD2-CG2 4.21Å; F88-V95 HydrophobicContact CE1-CB 3.78Å; F88-V95 HydrophobicContact CE1-CG1 4.43Å; F88-V95 HydrophobicContact CE1-CG2 3.66Å; F88-V95 HydrophobicContact CE2-CG2 4.14Å; F88-V95 HydrophobicContact CG-CB 4.44Å; F88-V95 HydrophobicContact CG-CG2 4.02Å; F88-V95 HydrophobicContact CZ-CB 4.46Å; F88-V95 HydrophobicContact CZ-CG2 3.88Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.47Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.69Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; V95-W113 CarbonylContact O-C 3.56Å; V95-W113 WeakPolarHBondContact O-CA 3.44Å; V95-I114 HydrophobicContact CG1-CB 4.17Å; V95-I114 PolarHBondContact N-O 3.48Å; V95-I114 PolarHBondContact O-N 3.07Å; V95-L116 HydrophobicContact CB-CD2 4.09Å; V95-L116 HydrophobicContact CG1-CD2 3.89Å |
| 96 | Y | 97.4 | Very high | 94.4 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.3 | 172 | -72.9 | -103.2 | 0 | 0 | 0 | 109.1 | D87 R90 E91 K94 G112 W113 | D87-Y96 PolarHBondContact N-O 2.96Å; D87-Y96 PolarHBondContact O-N 3.01Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.44Å; R90-Y96 HydrophobicContact CG-CD2 3.78Å; R90-Y96 HydrophobicContact CG-CE2 3.77Å; R90-Y96 HydrophobicContact CG-CG 4.31Å; E91-Y96 HydrophobicContact CB-CE2 3.74Å; E91-Y96 PolarHBondContact OE2-OH 3.06Å; K94-Y96 HydrophobicContact CB-CE2 4.5Å; Y96-G112 WeakPolarHBondContact CA-O 3.17Å; Y96-W113 HydrophobicContact CD1-CB 3.82Å; Y96-W113 HydrophobicContact CD2-CB 4.3Å; Y96-W113 HydrophobicContact CE1-CB 3.88Å; Y96-W113 HydrophobicContact CE1-CG 4.2Å; Y96-W113 HydrophobicContact CE2-CB 4.35Å; Y96-W113 HydrophobicContact CG-CB 4.05Å |
| 97 | L | 96.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.7 | -168.5 | -63.9 | 172.6 | 0 | 0 | 0 | 109.5 | F44 F68 Y85 V86 V95 W110 K111 G112 I114 | F44-L97 HydrophobicContact CE2-CD1 4.5Å; F44-L97 HydrophobicContact CZ-CD1 4.18Å; F68-L97 HydrophobicContact CD2-CD2 4.49Å; F68-L97 HydrophobicContact CE1-CB 4.04Å; F68-L97 HydrophobicContact CE1-CD1 4.42Å; F68-L97 HydrophobicContact CE1-CD2 4.12Å; F68-L97 HydrophobicContact CE1-CG 4.43Å; F68-L97 HydrophobicContact CE2-CD2 4.03Å; F68-L97 HydrophobicContact CZ-CB 4.37Å; F68-L97 HydrophobicContact CZ-CD1 3.95Å; F68-L97 HydrophobicContact CZ-CD2 3.83Å; F68-L97 HydrophobicContact CZ-CG 4.28Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.41Å; V86-L97 HydrophobicContact CB-CD2 4.21Å; V86-L97 HydrophobicContact CG1-CD2 3.86Å; V86-L97 HydrophobicContact CG2-CD2 3.9Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.47Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.69Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; L97-W110 HydrophobicContact CB-CH2 4.1Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 HydrophobicContact CD1-CZ3 4.44Å; L97-K111 WeakPolarHBondContact O-CA 3.31Å; L97-G112 PolarHBondContact N-O 3.08Å; L97-G112 PolarHBondContact O-N 2.97Å; L97-I114 HydrophobicContact CD1-CD1 4.09Å |
| 98 | K | 95.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 44 Ų | 44 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.7 | 175.2 | 178.2 | -173.5 | 175.6 | -173.7 | 0 | 108.1 | F68 E84 Y85 I109 W110 K111 | F68-K98 WeakPolarHBondContact CD1-O 3.44Å; E84-K98 IonicContact OE1-NZ 3.4Å; E84-K98 PolarHBondContact OE1-NZ 2.81Å; Y85-K98 HydrophobicContact CD1-CB 4.32Å; Y85-K98 HydrophobicContact CD1-CD 4.38Å; Y85-K98 HydrophobicContact CD1-CG 4.25Å; Y85-K98 WeakPolarHBondContact CD1-O 3.41Å; Y85-K98 HydrophobicContact CE1-CD 4.44Å; Y85-K98 PolarHBondContact O-N 3.07Å; K98-I109 HydrophobicContact CD-CG2 4.27Å; K98-I109 HydrophobicContact CG-CG2 3.53Å; K98-W110 CarbonylContact C-O 3.52Å; K98-W110 WeakPolarHBondContact CA-O 3.33Å; K98-K111 HydrophobicContact CG-CG 4.27Å |
| 99 | A | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 107.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | L66 Q67 F68 W110 | L66-A99 HydrophobicContact CB-CB 4.04Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.47Å; Q67-A99 WeakPolarHBondContact O-CB 3.36Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.05Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.3Å; A99-W110 PolarHBondContact N-O 2.89Å; A99-W110 PolarHBondContact O-N 2.82Å |
| 100 | P | 93.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 130.4 | 177.1 | 33.3 | -33.6 | 0 | 0 | 0 | 110.8 | F69 Y85 I109 R131 | F69-P100 WeakPolarHBondContact O-CG 3.27Å; Y85-P100 HydrophobicContact CE1-CG 3.95Å; P100-I109 HydrophobicContact CB-CG1 4.28Å; P100-R131 VanDerWaalsContact C-NH1 3.25Å; P100-R131 PolarHBondContact O-NH1 3.09Å |
| 101 | M | 91.8 | Very high | 94.6 | Very high | 30 Ų | 30 | 32 Ų | 32 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 166.4 | -178.4 | 59.2 | 175.6 | 53.1 | 0 | 0 | 113.4 | L66 V108 | L66-M101 HydrophobicContact CD2-CE 3.61Å; M101-V108 HydrophobicContact CG-CG2 3.78Å; M101-V108 PolarHBondContact N-O 2.88Å; M101-V108 PolarHBondContact O-N 3.37Å |
| 102 | I | 92 | Very high | 94.7 | Very high | 43 Ų | 43 | 29 Ų | 29 | 22% | 0.221 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.9 | 169.2 | -64.2 | 165.2 | 0 | 0 | 0 | 106.7 | R3 V4 V106 E135 | R3-I102 HydrophobicContact CB-CD1 4.24Å; R3-I102 WeakPolarHBondContact O-CG2 3.46Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.33Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; I102-E135 HydrophobicContact CD1-CG 4.38Å |
| 103 | L | 92.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 25.7 Ų | 25.7 | 14% | 0.141 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.4 | -179.1 | -171.3 | 61.4 | 0 | 0 | 0 | 108.6 | F17 F18 L64 G105 V106 V108 L125 | F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.07Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F18-L103 HydrophobicContact CE1-CB 4.24Å; F18-L103 HydrophobicContact CE1-CD2 4.05Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 HydrophobicContact CZ-CB 4.46Å; F18-L103 HydrophobicContact CZ-CG 4.49Å; F18-L103 WeakPolarHBondContact CZ-O 3.36Å; L64-L103 HydrophobicContact CD2-CD1 4.39Å; L64-L103 HydrophobicContact CD2-CD2 4.45Å; L103-G105 PolarHBondContact O-N 2.6Å; L103-V106 PolarHBondContact N-O 2.86Å; L103-V106 PolarHBondContact O-N 2.87Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; L103-L125 HydrophobicContact CD2-CD1 3.82Å |
| 104 | N | 90.3 | Very high | 95.1 | Very high | 96 Ų | 96 | 24.2 Ų | 24.2 | 51% | 0.513 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 33.4 | -177.1 | -60.9 | -24.6 | 0 | 0 | 0 | 114.1 | K11 F18 | K11-N104 PolarHBondContact NZ-O 3.04Å; F18-N104 HydrophobicContact CZ-CB 4.3Å |
| 105 | G | 90 | Very high | 95.1 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 11.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V4 V5 L103 | V4-G105 CarbonylContact C-O 3.43Å; V4-G105 VanDerWaalsContact CA-O 3.24Å; V4-G105 WeakPolarHBondContact CA-O 3.41Å; V4-G105 WeakPolarHBondContact CB-O 3.43Å; V5-G105 WeakPolarHBondContact CG2-O 3.26Å; V5-G105 PolarHBondContact N-O 3.32Å; L103-G105 PolarHBondContact O-N 2.6Å |
| 106 | V | 93.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.3 | 175.6 | -178 | 0 | 0 | 0 | 0 | 109.2 | V5 Q8 K11 F12 F18 I102 L103 V108 F127 | V5-V106 HydrophobicContact CG2-CG2 4.21Å; Q8-V106 HydrophobicContact CB-CG1 4.31Å; K11-V106 HydrophobicContact CB-CG2 4.05Å; K11-V106 HydrophobicContact CD-CG2 3.72Å; K11-V106 HydrophobicContact CG-CG2 3.99Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.15Å; F18-V106 HydrophobicContact CE1-CB 4.37Å; F18-V106 HydrophobicContact CE2-CB 4.25Å; F18-V106 HydrophobicContact CE2-CG2 3.79Å; F18-V106 HydrophobicContact CZ-CB 3.8Å; F18-V106 HydrophobicContact CZ-CG1 4.42Å; F18-V106 HydrophobicContact CZ-CG2 3.83Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; L103-V106 PolarHBondContact N-O 2.86Å; L103-V106 PolarHBondContact O-N 2.87Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.94Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.94Å |
| 107 | C | 94.3 | Very high | 95 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 117.9 | 170.7 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | Q8 F127 D128 R131 A132 | Q8-C107 PolarHBondContact OE1-SG 2.82Å; C107-F127 WeakPolarHBondContact O-CD2 3.41Å; C107-D128 HydrophobicContact CB-CB 4.09Å; C107-D128 PolarHBondContact O-N 2.97Å; C107-R131 HydrophobicContact CB-CB 4.34Å; C107-R131 HydrophobicContact CB-CG 4.4Å; C107-A132 HydrophobicContact CB-CB 4.04Å |
| 108 | V | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.6 | -179.8 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | F12 F18 M101 L103 V106 L125 E126 | F12-V108 HydrophobicContact CD2-CG1 3.69Å; F12-V108 HydrophobicContact CE2-CG1 3.66Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; M101-V108 HydrophobicContact CG-CG2 3.78Å; M101-V108 PolarHBondContact N-O 2.88Å; M101-V108 PolarHBondContact O-N 3.37Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.94Å; V108-L125 HydrophobicContact CG2-CD2 4.15Å; V108-E126 CarbonylContact C-O 3.56Å; V108-E126 WeakPolarHBondContact CA-O 3.5Å; V108-E126 WeakPolarHBondContact CB-O 3.17Å |
| 109 | I | 96.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.108 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.9 | 168.5 | -59.8 | 168.2 | 0 | 0 | 0 | 107.3 | K98 P100 K111 E126 D128 | K98-I109 HydrophobicContact CD-CG2 4.27Å; K98-I109 HydrophobicContact CG-CG2 3.53Å; P100-I109 HydrophobicContact CB-CG1 4.28Å; I109-K111 HydrophobicContact CG2-CG 3.92Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.09Å; I109-D128 HydrophobicContact CD1-CB 4.13Å; I109-D128 HydrophobicContact CG1-CB 3.88Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.46Å |
| 110 | W | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.9 | 165.9 | -178 | 90 | 0 | 0 | 0 | 109.4 | I27 I55 F57 L66 L97 K98 A99 F124 L125 | I27-W110 HydrophobicContact CD1-CH2 4.09Å; I27-W110 HydrophobicContact CD1-CZ2 3.67Å; I55-W110 HydrophobicContact CD1-CZ2 4.42Å; I55-W110 HydrophobicContact CG1-CZ2 4.35Å; F57-W110 AromaticContact CE2-CD1 3.94Å; F57-W110 AromaticContact CE2-NE1 3.81Å; F57-W110 AromaticContact CZ-CD1 3.72Å; F57-W110 AromaticContact CZ-NE1 3.48Å; L66-W110 HydrophobicContact CD1-CD2 3.75Å; L66-W110 HydrophobicContact CD1-CE3 3.4Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.23Å; L66-W110 HydrophobicContact CD1-CZ3 3.44Å; L66-W110 VanDerWaalsContact CD1-CZ3 3.44Å; L66-W110 HydrophobicContact CD2-CB 4.22Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 4.03Å; L66-W110 HydrophobicContact CG-CE3 4.46Å; L97-W110 HydrophobicContact CB-CH2 4.1Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 HydrophobicContact CD1-CZ3 4.44Å; K98-W110 CarbonylContact C-O 3.52Å; K98-W110 WeakPolarHBondContact CA-O 3.33Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.3Å; A99-W110 PolarHBondContact N-O 2.89Å; A99-W110 PolarHBondContact O-N 2.82Å; W110-F124 WeakPolarHBondContact CA-O 3.43Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.13Å |
| 111 | K | 97.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 27% | 0.265 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.5 | 174.8 | -66 | -178 | -177.7 | 170.9 | 0 | 109.5 | L97 K98 I109 G123 F124 E126 | L97-K111 WeakPolarHBondContact O-CA 3.31Å; K98-K111 HydrophobicContact CG-CG 4.27Å; I109-K111 HydrophobicContact CG2-CG 3.92Å; K111-G123 CarbonylContact O-C 3.47Å; K111-G123 WeakPolarHBondContact O-CA 3.33Å; K111-F124 HydrophobicContact CB-CE1 4.2Å; K111-F124 HydrophobicContact CB-CZ 4.23Å; K111-F124 HydrophobicContact CD-CZ 4.5Å; K111-F124 PolarHBondContact N-O 2.97Å; K111-F124 PolarHBondContact O-N 3.48Å; K111-E126 WeakPolarHBondContact CE-OE2 3.25Å; K111-E126 VanDerWaalsContact NZ-CD 3.29Å; K111-E126 IonicContact NZ-OE1 2.67Å; K111-E126 PolarHBondContact NZ-OE1 2.67Å; K111-E126 IonicContact NZ-OE2 3.69Å; K111-E126 PolarHBondContact NZ-OE2 3.47Å |
| 112 | G | 97.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -178.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y96 L97 M122 | Y96-G112 WeakPolarHBondContact CA-O 3.17Å; L97-G112 PolarHBondContact N-O 3.08Å; L97-G112 PolarHBondContact O-N 2.97Å; G112-M122 CarbonylContact C-O 3.47Å; G112-M122 WeakPolarHBondContact CA-O 3.27Å |
| 113 | W | 97.9 | Very high | 96 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 21% | 0.212 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152 | 171.5 | 61.7 | -93.1 | 0 | 0 | 0 | 110.3 | K94 V95 Y96 D115 G121 M122 | K94-W113 HydrophobicContact CD-CD2 4.04Å; K94-W113 HydrophobicContact CD-CE3 3.5Å; K94-W113 VanDerWaalsContact CD-CE3 3.5Å; K94-W113 HydrophobicContact CD-CZ3 3.81Å; K94-W113 HydrophobicContact CG-CE3 3.99Å; K94-W113 HydrophobicContact CG-CZ3 4.31Å; V95-W113 CarbonylContact O-C 3.56Å; V95-W113 WeakPolarHBondContact O-CA 3.44Å; Y96-W113 HydrophobicContact CD1-CB 3.82Å; Y96-W113 HydrophobicContact CD2-CB 4.3Å; Y96-W113 HydrophobicContact CE1-CB 3.88Å; Y96-W113 HydrophobicContact CE1-CG 4.2Å; Y96-W113 HydrophobicContact CE2-CB 4.35Å; Y96-W113 HydrophobicContact CG-CB 4.05Å; W113-D115 HydrophobicContact CZ3-CB 4.38Å; W113-G121 WeakPolarHBondContact O-CA 3.16Å; W113-M122 HydrophobicContact CH2-CG 4.42Å; W113-M122 HydrophobicContact CZ2-CB 4.13Å; W113-M122 HydrophobicContact CZ2-CG 3.61Å; W113-M122 PolarHBondContact N-O 3.46Å; W113-M122 PolarHBondContact O-N 2.84Å; W113-M122 VanDerWaalsContact O-N 3.09Å |
| 114 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.2 | 177.1 | -66 | 176.5 | 0 | 0 | 0 | 109.2 | I27 F44 I55 K94 V95 L97 D120 | I27-I114 HydrophobicContact CD1-CD1 3.81Å; I27-I114 HydrophobicContact CD1-CG1 3.56Å; F44-I114 HydrophobicContact CE1-CB 4.22Å; F44-I114 HydrophobicContact CE1-CG2 3.81Å; F44-I114 HydrophobicContact CE2-CD1 3.67Å; F44-I114 HydrophobicContact CE2-CG2 4.38Å; F44-I114 HydrophobicContact CZ-CB 3.77Å; F44-I114 HydrophobicContact CZ-CD1 3.63Å; F44-I114 HydrophobicContact CZ-CG1 4.26Å; F44-I114 HydrophobicContact CZ-CG2 3.67Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å; K94-I114 CarbonylContact C-O 3.49Å; K94-I114 VanDerWaalsContact CA-O 3.27Å; K94-I114 WeakPolarHBondContact CA-O 3.24Å; V95-I114 HydrophobicContact CG1-CB 4.17Å; V95-I114 PolarHBondContact N-O 3.48Å; V95-I114 PolarHBondContact O-N 3.07Å; L97-I114 HydrophobicContact CD1-CD1 4.09Å; I114-D120 WeakPolarHBondContact CA-O 3.5Å |
| 115 | D | 98.1 | Very high | 96.5 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 17% | 0.171 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 124.4 | 169.4 | -174.7 | -65.9 | 0 | 0 | 0 | 110.2 | W113 Q117 R118 L119 D120 | W113-D115 HydrophobicContact CZ3-CB 4.38Å; D115-Q117 PolarHBondContact O-N 2.86Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.49Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.3Å; D115-Q117 PolarHBondContact OD1-N 3.36Å; D115-R118 HydrophobicContact CB-CB 4.15Å; D115-R118 PolarHBondContact OD1-N 3.42Å; D115-L119 WeakPolarHBondContact O-CA 3.43Å; D115-L119 PolarHBondContact O-N 3.43Å; D115-D120 WeakPolarHBondContact CB-O 3.07Å; D115-D120 PolarHBondContact N-O 2.82Å |
| 116 | L | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 34 Ų | 34 | 15% | 0.152 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.3 | -175.3 | -63.1 | 179.8 | 0 | 0 | 0 | 112.9 | Q41 F44 Q45 F88 G93 V95 | Q41-L116 WeakPolarHBondContact CG-O 3.49Å; F44-L116 HydrophobicContact CD1-CD2 4.31Å; F44-L116 HydrophobicContact CE1-CD2 3.89Å; Q45-L116 HydrophobicContact CG-CD2 3.97Å; F88-L116 HydrophobicContact CD1-CD1 4.28Å; F88-L116 HydrophobicContact CD1-CD2 4.33Å; F88-L116 HydrophobicContact CE1-CD2 4.03Å; G93-L116 WeakPolarHBondContact O-CB 3.4Å; G93-L116 WeakPolarHBondContact O-CG 3.49Å; G93-L116 PolarHBondContact O-N 3.15Å; V95-L116 HydrophobicContact CB-CD2 4.09Å; V95-L116 HydrophobicContact CG1-CD2 3.89Å |
| 117 | Q | 95.8 | Very high | 97 | Very high | 143 Ų | 143 | 36.1 Ų | 36.1 | 67% | 0.668 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -45.9 | 177.1 | -65.7 | -172.5 | -4.6 | 0 | 0 | 111.2 | H37 Q41 D115 | H37-Q117 PolarHBondContact CE1-O 2.86Å; H37-Q117 VanDerWaalsContact CE1-O 3.31Å; H37-Q117 PolarHBondContact NE2-O 3.33Å; Q41-Q117 PolarHBondContact NE2-O 2.79Å; D115-Q117 PolarHBondContact O-N 2.86Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.49Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.3Å; D115-Q117 PolarHBondContact OD1-N 3.36Å |
| 118 | R | 96.9 | Very high | 97 | Very high | 159 Ų | 159 | 37.1 Ų | 37.1 | 60% | 0.6 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23 | -173.5 | -66 | 171.6 | 53.2 | 178.8 | -3.5 | 113.7 | D115 D120 | D115-R118 HydrophobicContact CB-CB 4.15Å; D115-R118 PolarHBondContact OD1-N 3.42Å; R118-D120 VanDerWaalsContact CB-OD1 3.27Å; R118-D120 WeakPolarHBondContact CB-OD1 3.4Å; R118-D120 IonicContact CZ-OD1 3.98Å; R118-D120 IonicContact CZ-OD2 2.75Å; R118-D120 VanDerWaalsContact CZ-OD2 3.29Å; R118-D120 IonicContact NE-OD1 2.98Å; R118-D120 PolarHBondContact NE-OD1 2.83Å; R118-D120 VanDerWaalsContact NE-OD1 3.1Å; R118-D120 IonicContact NE-OD2 2.8Å; R118-D120 PolarHBondContact NE-OD2 3.08Å; R118-D120 VanDerWaalsContact NE-OD2 3.07Å; R118-D120 IonicContact NH2-OD1 3.86Å; R118-D120 PolarHBondContact NH2-OD1 3.35Å; R118-D120 IonicContact NH2-OD2 3.22Å; R118-D120 PolarHBondContact NH2-OD2 3.47Å; R118-D120 PolarHBondContact O-N 3.32Å |
| 119 | L | 97.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 59.8 | 30.3 | -174.3 | -52.8 | 178.4 | 0 | 0 | 0 | 113.1 | Y29 R40 Q41 F44 D115 | Y29-L119 HydrophobicContact CD1-CD1 4.06Å; Y29-L119 PolarHBondContact N-O 2.99Å; R40-L119 HydrophobicContact CB-CD1 3.64Å; Q41-L119 HydrophobicContact CG-CD1 4.07Å; Q41-L119 HydrophobicContact CG-CD2 4.19Å; Q41-L119 HydrophobicContact CG-CG 4.16Å; F44-L119 HydrophobicContact CB-CD2 4.04Å; F44-L119 HydrophobicContact CD1-CD2 3.78Å; F44-L119 HydrophobicContact CG-CD2 4.01Å; D115-L119 WeakPolarHBondContact O-CA 3.43Å; D115-L119 PolarHBondContact O-N 3.43Å |
| 120 | D | 97.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 168.7 | 170.7 | 63.4 | 22.1 | 0 | 0 | 0 | 110.1 | I27 K28 I114 D115 R118 | I27-D120 CarbonylContact O-C 2.96Å; I27-D120 WeakPolarHBondContact O-CA 3.44Å; K28-D120 HydrophobicContact CG-CB 3.93Å; I114-D120 WeakPolarHBondContact CA-O 3.5Å; D115-D120 WeakPolarHBondContact CB-O 3.07Å; D115-D120 PolarHBondContact N-O 2.82Å; R118-D120 VanDerWaalsContact CB-OD1 3.27Å; R118-D120 WeakPolarHBondContact CB-OD1 3.4Å; R118-D120 IonicContact CZ-OD1 3.98Å; R118-D120 IonicContact CZ-OD2 2.75Å; R118-D120 VanDerWaalsContact CZ-OD2 3.29Å; R118-D120 IonicContact NE-OD1 2.98Å; R118-D120 PolarHBondContact NE-OD1 2.83Å; R118-D120 VanDerWaalsContact NE-OD1 3.1Å; R118-D120 IonicContact NE-OD2 2.8Å; R118-D120 PolarHBondContact NE-OD2 3.08Å; R118-D120 VanDerWaalsContact NE-OD2 3.07Å; R118-D120 IonicContact NH2-OD1 3.86Å; R118-D120 PolarHBondContact NH2-OD1 3.35Å; R118-D120 IonicContact NH2-OD2 3.22Å; R118-D120 PolarHBondContact NH2-OD2 3.47Å; R118-D120 PolarHBondContact O-N 3.32Å |
| 121 | G | 97.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | -153.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E26 I27 W113 | E26-G121 WeakPolarHBondContact CA-O 3.5Å; I27-G121 VanDerWaalsContact CG1-C 3.49Å; I27-G121 WeakPolarHBondContact CG1-O 3.4Å; I27-G121 PolarHBondContact N-O 3.01Å; I27-G121 PolarHBondContact O-N 3.46Å; W113-G121 WeakPolarHBondContact O-CA 3.16Å |
| 122 | M | 98.1 | Very high | 95.8 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.2 | -177.8 | -57.2 | -66.1 | -76.7 | 0 | 0 | 110.8 | E24 C25 E26 G112 W113 | E24-M122 HydrophobicContact CB-CE 4.47Å; E24-M122 HydrophobicContact CG-CB 3.8Å; E24-M122 HydrophobicContact CG-CE 3.75Å; E24-M122 HydrophobicContact CG-CG 4.46Å; E24-M122 WeakPolarHBondContact OE1-CB 3.23Å; C25-M122 WeakPolarHBondContact O-CA 3.4Å; E26-M122 HydrophobicContact CB-SD 4.28Å; G112-M122 CarbonylContact C-O 3.47Å; G112-M122 WeakPolarHBondContact CA-O 3.27Å; W113-M122 HydrophobicContact CH2-CG 4.42Å; W113-M122 HydrophobicContact CZ2-CB 4.13Å; W113-M122 HydrophobicContact CZ2-CG 3.61Å; W113-M122 PolarHBondContact N-O 3.46Å; W113-M122 PolarHBondContact O-N 2.84Å; W113-M122 VanDerWaalsContact O-N 3.09Å |
| 123 | G | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 165.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C25 F57 K111 | C25-G123 PolarHBondContact N-O 3.1Å; C25-G123 PolarHBondContact O-N 3.48Å; F57-G123 WeakPolarHBondContact CE1-O 3.3Å; K111-G123 CarbonylContact O-C 3.47Å; K111-G123 WeakPolarHBondContact O-CA 3.33Å |
| 124 | F | 97 | Very high | 94.9 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 23% | 0.228 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 167.8 | 180 | 62.7 | -77.7 | 0 | 0 | 0 | 111.4 | L21 W110 K111 E126 | L21-F124 CarbonylContact O-C 3.48Å; L21-F124 WeakPolarHBondContact O-CA 3.44Å; W110-F124 WeakPolarHBondContact CA-O 3.43Å; K111-F124 HydrophobicContact CB-CE1 4.2Å; K111-F124 HydrophobicContact CB-CZ 4.23Å; K111-F124 HydrophobicContact CD-CZ 4.5Å; K111-F124 PolarHBondContact N-O 2.97Å; K111-F124 PolarHBondContact O-N 3.48Å; F124-E126 HydrophobicContact CD2-CG 3.87Å; F124-E126 HydrophobicContact CE2-CG 3.41Å; F124-E126 VanDerWaalsContact CE2-CG 3.41Å; F124-E126 WeakPolarHBondContact CE2-OE1 3Å; F124-E126 HydrophobicContact CZ-CG 4.43Å; F124-E126 WeakPolarHBondContact CZ-OE1 3.19Å |
| 125 | L | 96.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 136.5 | 174.4 | -64.4 | -179.9 | 0 | 0 | 0 | 111.2 | F12 F18 L21 S22 L103 V108 W110 | F12-L125 HydrophobicContact CE2-CB 4.26Å; F18-L125 HydrophobicContact CD1-CD1 4.14Å; F18-L125 HydrophobicContact CE1-CD1 4.43Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.01Å; L21-L125 HydrophobicContact CD1-CD1 3.86Å; L21-L125 HydrophobicContact CG-CD1 4.44Å; L21-L125 PolarHBondContact O-N 2.66Å; S22-L125 VanDerWaalsContact CA-O 3.29Å; S22-L125 WeakPolarHBondContact CA-O 3.39Å; L103-L125 HydrophobicContact CD2-CD1 3.82Å; V108-L125 HydrophobicContact CG2-CD2 4.15Å; W110-L125 HydrophobicContact CB-CD2 3.69Å; W110-L125 HydrophobicContact CG-CD2 4.13Å |
| 126 | E | 96.8 | Very high | 93.8 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 30% | 0.299 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 150.5 | 167.4 | -67.6 | -179.1 | -176.1 | 0 | 0 | 110.2 | V108 I109 K111 F124 | V108-E126 CarbonylContact C-O 3.56Å; V108-E126 WeakPolarHBondContact CA-O 3.5Å; V108-E126 WeakPolarHBondContact CB-O 3.17Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.09Å; K111-E126 WeakPolarHBondContact CE-OE2 3.25Å; K111-E126 VanDerWaalsContact NZ-CD 3.29Å; K111-E126 IonicContact NZ-OE1 2.67Å; K111-E126 PolarHBondContact NZ-OE1 2.67Å; K111-E126 IonicContact NZ-OE2 3.69Å; K111-E126 PolarHBondContact NZ-OE2 3.47Å; F124-E126 HydrophobicContact CD2-CG 3.87Å; F124-E126 HydrophobicContact CE2-CG 3.41Å; F124-E126 VanDerWaalsContact CE2-CG 3.41Å; F124-E126 WeakPolarHBondContact CE2-OE1 3Å; F124-E126 HydrophobicContact CZ-CG 4.43Å; F124-E126 WeakPolarHBondContact CZ-OE1 3.19Å |
| 127 | F | 96.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 57 Ų | 57 | 20% | 0.202 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.2 | 172.4 | -177.6 | -112.1 | 0 | 0 | 0 | 110.4 | Q8 R9 F12 V106 C107 E129 A132 | Q8-F127 HydrophobicContact CB-CE2 3.78Å; Q8-F127 HydrophobicContact CB-CZ 4.07Å; R9-F127 HydrophobicContact CB-CE1 3.99Å; R9-F127 HydrophobicContact CB-CE2 4.49Å; R9-F127 HydrophobicContact CB-CZ 3.94Å; R9-F127 HydrophobicContact CG-CE1 4.34Å; F12-F127 HydrophobicContact CB-CD2 4.04Å; F12-F127 HydrophobicContact CD1-CB 3.8Å; F12-F127 HydrophobicContact CD2-CB 4.34Å; F12-F127 HydrophobicContact CD2-CD2 4.41Å; F12-F127 HydrophobicContact CE1-CB 3.88Å; F12-F127 HydrophobicContact CE2-CB 4.4Å; F12-F127 HydrophobicContact CG-CB 4.03Å; F12-F127 HydrophobicContact CG-CD2 4.12Å; F12-F127 HydrophobicContact CG-CG 4.44Å; F12-F127 HydrophobicContact CZ-CB 4.17Å; V106-F127 HydrophobicContact CG1-CD2 3.93Å; V106-F127 HydrophobicContact CG1-CE2 3.94Å; C107-F127 WeakPolarHBondContact O-CD2 3.41Å; F127-E129 HydrophobicContact CD1-CB 4.05Å; F127-E129 HydrophobicContact CE1-CB 3.89Å; F127-E129 HydrophobicContact CE1-CG 4.26Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.5Å |
| 128 | D | 95 | Very high | 92.8 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | trans | -98.9 | 86 | 178.8 | -165.5 | -20.4 | 0 | 0 | 0 | 109.8 | C107 I109 R131 A132 | C107-D128 HydrophobicContact CB-CB 4.09Å; C107-D128 PolarHBondContact O-N 2.97Å; I109-D128 HydrophobicContact CD1-CB 4.13Å; I109-D128 HydrophobicContact CG1-CB 3.88Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.46Å; D128-R131 HydrophobicContact CB-CB 4.06Å; D128-R131 PolarHBondContact O-N 2.84Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.39Å; D128-R131 PolarHBondContact OD1-N 2.81Å; D128-R131 VanDerWaalsContact OD1-N 3.1Å; D128-R131 VanDerWaalsContact OD2-CB 3.23Å; D128-R131 WeakPolarHBondContact OD2-CB 3.31Å; D128-A132 WeakPolarHBondContact O-CB 3.44Å; D128-A132 PolarHBondContact O-N 3.13Å | ||
| 129 | E | 92.4 | Very high | 92.2 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.2 | -40.5 | -174.8 | -173 | 165.1 | -141.5 | 0 | 0 | 112.4 | R9 F127 A132 Q133 | R9-E129 IonicContact NH1-OE1 3.07Å; R9-E129 PolarHBondContact NH1-OE1 2.86Å; F127-E129 HydrophobicContact CD1-CB 4.05Å; F127-E129 HydrophobicContact CE1-CB 3.89Å; F127-E129 HydrophobicContact CE1-CG 4.26Å; E129-A132 PolarHBondContact O-N 2.73Å; E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.46Å |
| 130 | E | 90.6 | Very high | 91.4 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.4 | -49 | 178.6 | -173.3 | -174 | 166.9 | 0 | 0 | 110.6 | Q133 Q134 | E130-Q133 PolarHBondContact O-N 2.88Å; E130-Q134 WeakPolarHBondContact O-CG 3Å; E130-Q134 PolarHBondContact O-N 3.41Å; E130-Q134 VanDerWaalsContact O-N 3.14Å; E130-Q134 PolarHBondContact OE1-NE2 3.4Å |
| 131 | R | 88 | Confident | 90.7 | Very high | 21 Ų | 21 | 57.3 Ų | 57.3 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.4 | -35.7 | -180 | -170 | 177.6 | 167 | -172.7 | -7.1 | 112.6 | P100 C107 D128 Q133 Q134 E135 | P100-R131 VanDerWaalsContact C-NH1 3.25Å; P100-R131 PolarHBondContact O-NH1 3.09Å; C107-R131 HydrophobicContact CB-CB 4.34Å; C107-R131 HydrophobicContact CB-CG 4.4Å; D128-R131 HydrophobicContact CB-CB 4.06Å; D128-R131 PolarHBondContact O-N 2.84Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.39Å; D128-R131 PolarHBondContact OD1-N 2.81Å; D128-R131 VanDerWaalsContact OD1-N 3.1Å; D128-R131 VanDerWaalsContact OD2-CB 3.23Å; D128-R131 WeakPolarHBondContact OD2-CB 3.31Å; R131-Q133 VanDerWaalsContact C-N 3.29Å; R131-Q133 PolarHBondContact O-N 3.26Å; R131-Q134 PolarHBondContact O-N 3.05Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 IonicContact NE-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.21Å; R131-E135 WeakPolarHBondContact O-CG 3.22Å; R131-E135 PolarHBondContact O-N 3.39Å |
| 132 | A | 90.4 | Very high | 90 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -46.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q8 C107 F127 D128 E129 Q134 E135 D136 | Q8-A132 PolarHBondContact NE2-O 3.26Å; C107-A132 HydrophobicContact CB-CB 4.04Å; F127-A132 HydrophobicContact CE1-CB 4.25Å; F127-A132 HydrophobicContact CE2-CB 4.06Å; F127-A132 HydrophobicContact CZ-CB 3.5Å; D128-A132 WeakPolarHBondContact O-CB 3.44Å; D128-A132 PolarHBondContact O-N 3.13Å; E129-A132 PolarHBondContact O-N 2.73Å; A132-Q134 PolarHBondContact O-N 3.05Å; A132-E135 PolarHBondContact O-N 3.41Å; A132-D136 VanDerWaalsContact O-CB 3.29Å; A132-D136 WeakPolarHBondContact O-CB 3.29Å; A132-D136 VanDerWaalsContact O-CG 3.23Å; A132-D136 PolarHBondContact O-N 3.37Å |
| 133 | Q | 88.9 | Confident | 89.2 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 177.9 | -173.1 | 61.9 | 66.8 | 0 | 0 | 112.7 | E129 E130 R131 T137 | E129-Q133 WeakPolarHBondContact O-CB 3.49Å; E129-Q133 PolarHBondContact O-N 3.46Å; E130-Q133 PolarHBondContact O-N 2.88Å; R131-Q133 VanDerWaalsContact C-N 3.29Å; R131-Q133 PolarHBondContact O-N 3.26Å; Q133-T137 WeakPolarHBondContact O-CB 3.48Å; Q133-T137 PolarHBondContact O-N 3.14Å; Q133-T137 PolarHBondContact O-OG1 3.44Å |
| 134 | Q | 87.1 | Confident | 88.4 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 176.6 | -70.6 | 173.7 | 10.6 | 0 | 0 | 111.6 | E130 R131 A132 T137 L138 | E130-Q134 WeakPolarHBondContact O-CG 3Å; E130-Q134 PolarHBondContact O-N 3.41Å; E130-Q134 VanDerWaalsContact O-N 3.14Å; E130-Q134 PolarHBondContact OE1-NE2 3.4Å; R131-Q134 PolarHBondContact O-N 3.05Å; A132-Q134 PolarHBondContact O-N 3.05Å; Q134-T137 PolarHBondContact O-N 3.15Å; Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 3.38Å |
| 135 | E | 87.4 | Confident | 87.8 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 11% | 0.112 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.5 | -35.5 | 179.2 | -68.4 | -83.3 | 179 | 0 | 0 | 111.8 | R3 V4 I102 R131 A132 L138 A139 | R3-E135 IonicContact NH1-OE1 3.44Å; V4-E135 HydrophobicContact CG1-CB 3.73Å; V4-E135 HydrophobicContact CG1-CG 4.33Å; V4-E135 HydrophobicContact CG2-CB 4.12Å; I102-E135 HydrophobicContact CD1-CG 4.38Å; R131-E135 HydrophobicContact CG-CG 4.18Å; R131-E135 IonicContact NE-OE1 3.35Å; R131-E135 WeakPolarHBondContact O-CB 3.21Å; R131-E135 WeakPolarHBondContact O-CG 3.22Å; R131-E135 PolarHBondContact O-N 3.39Å; A132-E135 PolarHBondContact O-N 3.41Å; E135-L138 PolarHBondContact O-N 3.37Å; E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 2.93Å |
| 136 | D | 86.2 | Confident | 87.1 | Confident | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.1 | -79 | -11.7 | 0 | 0 | 0 | 111.2 | V4 Q8 A132 A139 Q140 | V4-D136 WeakPolarHBondContact CG2-OD1 3.48Å; Q8-D136 PolarHBondContact NE2-OD1 2.64Å; A132-D136 VanDerWaalsContact O-CB 3.29Å; A132-D136 WeakPolarHBondContact O-CB 3.29Å; A132-D136 VanDerWaalsContact O-CG 3.23Å; A132-D136 PolarHBondContact O-N 3.37Å; D136-A139 PolarHBondContact O-N 2.95Å; D136-Q140 WeakPolarHBondContact O-CB 3.44Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.08Å |
| 137 | T | 85.8 | Confident | 86.5 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 33% | 0.331 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | Q133 Q134 Q140 Q141 | Q133-T137 WeakPolarHBondContact O-CB 3.48Å; Q133-T137 PolarHBondContact O-N 3.14Å; Q133-T137 PolarHBondContact O-OG1 3.44Å; Q134-T137 PolarHBondContact O-N 3.15Å; T137-Q140 PolarHBondContact O-N 2.98Å; T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 2.73Å |
| 138 | L | 85.9 | Confident | 85.9 | Confident | 96 Ų | 96 | 85.9 Ų | 85.9 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.5 | -73.3 | 169.4 | 0 | 0 | 0 | 112.1 | Q134 E135 Q141 A142 | Q134-L138 WeakPolarHBondContact O-CG 3.29Å; Q134-L138 PolarHBondContact O-N 3.38Å; E135-L138 PolarHBondContact O-N 3.37Å; L138-Q141 PolarHBondContact O-N 3.45Å; L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3Å |
| 139 | A | 83.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 93.5 Ų | 93.5 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2 V4 E135 D136 A142 Y143 | P2-A139 HydrophobicContact CB-CB 4.32Å; V4-A139 HydrophobicContact CG2-CB 4.21Å; E135-A139 VanDerWaalsContact O-CB 3.25Å; E135-A139 WeakPolarHBondContact O-CB 3.5Å; E135-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact O-N 2.95Å; A139-A142 PolarHBondContact O-N 3.42Å; A139-Y143 WeakPolarHBondContact O-CB 3.48Å; A139-Y143 WeakPolarHBondContact O-CD2 3.49Å; A139-Y143 PolarHBondContact O-N 2.9Å |
| 140 | Q | 81.4 | Confident | 84.9 | Confident | 119 Ų | 119 | 90 Ų | 90 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.3 | -47.4 | 175 | -74.1 | 175.2 | 6.2 | 0 | 0 | 111.5 | D136 T137 A142 Y143 E144 | D136-Q140 WeakPolarHBondContact O-CB 3.44Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.08Å; T137-Q140 PolarHBondContact O-N 2.98Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å; Q140-Y143 WeakPolarHBondContact O-CB 3.35Å; Q140-Y143 PolarHBondContact O-N 3.31Å; Q140-Y143 VanDerWaalsContact O-N 3.15Å; Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.22Å |
| 141 | Q | 83.4 | Confident | 84.7 | Confident | 103 Ų | 103 | 89.2 Ų | 89.2 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -46.3 | 175.5 | -72.7 | 174.3 | -2.4 | 0 | 0 | 111.8 | T137 L138 Y143 E144 D145 | T137-Q141 WeakPolarHBondContact O-CG 3.26Å; T137-Q141 PolarHBondContact O-N 2.73Å; L138-Q141 PolarHBondContact O-N 3.45Å; Q141-Y143 VanDerWaalsContact C-N 3.3Å; Q141-Y143 PolarHBondContact O-N 3.02Å; Q141-E144 PolarHBondContact O-N 3.05Å; Q141-D145 WeakPolarHBondContact O-CB 3.45Å; Q141-D145 PolarHBondContact O-N 3.44Å |
| 142 | A | 82.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 91.5 Ų | 91.5 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L138 A139 Q140 V146 | L138-A142 WeakPolarHBondContact O-CB 3.43Å; L138-A142 PolarHBondContact O-N 3Å; A139-A142 PolarHBondContact O-N 3.42Å; Q140-A142 VanDerWaalsContact C-N 3.35Å; Q140-A142 PolarHBondContact O-N 3.37Å; A142-V146 VanDerWaalsContact O-CG2 3.24Å; A142-V146 WeakPolarHBondContact O-CG2 3.25Å; A142-V146 PolarHBondContact O-N 3.29Å |
| 143 | Y | 79.4 | Confident | 84 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | 174.6 | -90.8 | -62.1 | 0 | 0 | 0 | 112.6 | P2 A139 Q140 Q141 D145 V146 R147 | P2-Y143 HydrophobicContact CB-CE2 4.17Å; P2-Y143 HydrophobicContact CG-CD2 4.3Å; P2-Y143 HydrophobicContact CG-CE1 4.36Å; P2-Y143 HydrophobicContact CG-CE2 3.25Å; P2-Y143 WeakPolarHBondContact CG-OH 3.36Å; A139-Y143 WeakPolarHBondContact O-CB 3.48Å; A139-Y143 WeakPolarHBondContact O-CD2 3.49Å; A139-Y143 PolarHBondContact O-N 2.9Å; Q140-Y143 WeakPolarHBondContact O-CB 3.35Å; Q140-Y143 PolarHBondContact O-N 3.31Å; Q140-Y143 VanDerWaalsContact O-N 3.15Å; Q141-Y143 VanDerWaalsContact C-N 3.3Å; Q141-Y143 PolarHBondContact O-N 3.02Å; Y143-D145 VanDerWaalsContact C-N 3.35Å; Y143-V146 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 3.49Å |
| 144 | E | 82.4 | Confident | 83.8 | Confident | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.621 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 177.3 | -73.4 | -177.3 | 170.4 | 0 | 0 | 111.5 | Q140 Q141 R147 R148 | Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.22Å; Q141-E144 PolarHBondContact O-N 3.05Å; E144-R147 PolarHBondContact O-N 2.95Å; E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å |
| 145 | D | 84.1 | Confident | 83.6 | Confident | 82 Ų | 82 | 98.9 Ų | 98.9 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.5 | -81.5 | -16.6 | 0 | 0 | 0 | 112 | Q141 Y143 R148 R149 | Q141-D145 WeakPolarHBondContact O-CB 3.45Å; Q141-D145 PolarHBondContact O-N 3.44Å; Y143-D145 VanDerWaalsContact C-N 3.35Å; D145-R148 PolarHBondContact O-N 2.93Å; D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 VanDerWaalsContact O-CG 3.25Å; D145-R149 WeakPolarHBondContact O-CG 3.24Å; D145-R149 PolarHBondContact O-N 3.36Å |
| 146 | V | 81.7 | Confident | 83.3 | Confident | 93 Ų | 93 | 106.7 Ų | 106.7 | 56% | 0.564 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | A142 Y143 R148 R149 A150 | A142-V146 VanDerWaalsContact O-CG2 3.24Å; A142-V146 WeakPolarHBondContact O-CG2 3.25Å; A142-V146 PolarHBondContact O-N 3.29Å; Y143-V146 PolarHBondContact O-N 3.34Å; V146-R148 PolarHBondContact O-N 2.86Å; V146-R149 PolarHBondContact O-N 3.36Å; V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 2.78Å |
| 147 | R | 83.3 | Confident | 83.1 | Confident | 155 Ų | 155 | 108 Ų | 108 | 59% | 0.585 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 177.9 | -175.4 | -178.8 | -178.3 | -177.6 | 3.7 | 111.9 | Y143 E144 A150 R151 | Y143-R147 VanDerWaalsContact O-CB 3.29Å; Y143-R147 WeakPolarHBondContact O-CB 3.38Å; Y143-R147 PolarHBondContact O-N 3.49Å; E144-R147 PolarHBondContact O-N 2.95Å; R147-A150 PolarHBondContact O-N 3.06Å; R147-R151 VanDerWaalsContact CZ-NH2 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.47Å; R147-R151 PolarHBondContact O-N 2.87Å |
| 148 | R | 83.5 | Confident | 83 | Confident | 164 Ų | 164 | 113.5 Ų | 113.5 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -48 | 175.7 | -176.4 | -179.1 | 175.7 | -169.2 | 1.9 | 110.7 | E144 D145 V146 A150 R151 D152 | E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å; D145-R148 PolarHBondContact O-N 2.93Å; V146-R148 PolarHBondContact O-N 2.86Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 2.9Å; R148-R151 PolarHBondContact O-N 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 VanDerWaalsContact O-CG 3.23Å; R148-D152 PolarHBondContact O-N 3.35Å |
| 149 | R | 84.4 | Confident | 82.9 | Confident | 179 Ų | 179 | 112 Ų | 112 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -38.3 | 176.5 | -72.2 | 174.4 | -171.8 | -176.4 | 6.2 | 112.7 | D145 V146 F153 | D145-R149 WeakPolarHBondContact O-CB 3.46Å; D145-R149 VanDerWaalsContact O-CG 3.25Å; D145-R149 WeakPolarHBondContact O-CG 3.24Å; D145-R149 PolarHBondContact O-N 3.36Å; V146-R149 PolarHBondContact O-N 3.36Å; R149-F153 WeakPolarHBondContact O-CB 3.36Å; R149-F153 PolarHBondContact O-N 2.96Å |
| 150 | A | 83.6 | Confident | 82.9 | Confident | 48 Ų | 48 | 116.5 Ų | 116.5 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | V146 R147 R148 F153 E154 | V146-A150 WeakPolarHBondContact O-CB 3.45Å; V146-A150 PolarHBondContact O-N 2.78Å; R147-A150 PolarHBondContact O-N 3.06Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 2.9Å; A150-F153 WeakPolarHBondContact O-CB 3.29Å; A150-F153 PolarHBondContact O-N 3.25Å; A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 2.94Å |
| 151 | R | 85.4 | Confident | 83 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.7 | -74 | 175.5 | 176.6 | 168.1 | -8.3 | 112.4 | R147 R148 F153 E154 D155 | R147-R151 VanDerWaalsContact CZ-NH2 3.3Å; R147-R151 WeakPolarHBondContact O-CG 3.47Å; R147-R151 PolarHBondContact O-N 2.87Å; R148-R151 PolarHBondContact O-N 3.16Å; R151-F153 PolarHBondContact O-N 3.37Å; R151-E154 PolarHBondContact O-N 3.13Å; R151-E154 VanDerWaalsContact O-N 3.13Å; R151-D155 WeakPolarHBondContact O-CB 3.44Å; R151-D155 PolarHBondContact O-N 3.24Å |
| 152 | D | 83.8 | Confident | 82.9 | Confident | 68 Ų | 68 | 117.1 Ų | 117.1 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.3 | -32.6 | 178.5 | -67.8 | -14.3 | 0 | 0 | 0 | 111.4 | R148 R156 | R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 VanDerWaalsContact O-CG 3.23Å; R148-D152 PolarHBondContact O-N 3.35Å; D152-R156 WeakPolarHBondContact O-CB 3.5Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.2Å |
| 153 | F | 79.8 | Confident | 82.8 | Confident | 150 Ų | 150 | 119.2 Ų | 119.2 | 66% | 0.658 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.9 | -44.5 | 175.6 | -167.8 | -92.1 | 0 | 0 | 0 | 112.2 | R149 A150 R151 D155 R156 D157 | R149-F153 WeakPolarHBondContact O-CB 3.36Å; R149-F153 PolarHBondContact O-N 2.96Å; A150-F153 WeakPolarHBondContact O-CB 3.29Å; A150-F153 PolarHBondContact O-N 3.25Å; R151-F153 PolarHBondContact O-N 3.37Å; F153-D155 VanDerWaalsContact C-N 3.35Å; F153-D155 PolarHBondContact O-N 3.04Å; F153-R156 PolarHBondContact O-N 3.5Å; F153-D157 PolarHBondContact O-N 2.86Å |
| 154 | E | 84.4 | Confident | 82.6 | Confident | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 175.1 | -73.2 | 174.3 | -178.3 | 0 | 0 | 112 | A150 R151 D157 R158 | A150-E154 WeakPolarHBondContact O-CG 3.48Å; A150-E154 PolarHBondContact O-N 2.94Å; R151-E154 PolarHBondContact O-N 3.13Å; R151-E154 VanDerWaalsContact O-N 3.13Å; E154-D157 PolarHBondContact O-N 2.96Å; E154-R158 WeakPolarHBondContact O-CB 3.48Å; E154-R158 PolarHBondContact O-N 3.35Å |
| 155 | D | 82.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 116.3 Ų | 116.3 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 178.3 | -74.3 | -19.4 | 0 | 0 | 0 | 111.6 | R151 F153 R158 S159 | R151-D155 WeakPolarHBondContact O-CB 3.44Å; R151-D155 PolarHBondContact O-N 3.24Å; F153-D155 VanDerWaalsContact C-N 3.35Å; F153-D155 PolarHBondContact O-N 3.04Å; D155-R158 PolarHBondContact O-N 3.43Å; D155-S159 WeakPolarHBondContact O-CB 3.27Å; D155-S159 PolarHBondContact O-N 2.91Å |
| 156 | R | 82.4 | Confident | 82 | Confident | 188 Ų | 188 | 114.4 Ų | 114.4 | 71% | 0.709 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 173.7 | -77 | 175.1 | -175.4 | -175.4 | 3.1 | 112.5 | D152 F153 R158 S159 H160 | D152-R156 WeakPolarHBondContact O-CB 3.5Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.43Å; D152-R156 PolarHBondContact O-N 3.2Å; F153-R156 PolarHBondContact O-N 3.5Å; R156-R158 VanDerWaalsContact C-N 3.32Å; R156-S159 PolarHBondContact O-N 2.87Å; R156-H160 VanDerWaalsContact O-CB 3.27Å; R156-H160 WeakPolarHBondContact O-CB 3.38Å; R156-H160 PolarHBondContact O-N 3.39Å |
| 157 | D | 82.1 | Confident | 81.5 | Confident | 69 Ų | 69 | 119 Ų | 119 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.7 | -169.3 | 61.7 | 0 | 0 | 0 | 110.8 | F153 E154 H160 R161 | F153-D157 PolarHBondContact O-N 2.86Å; E154-D157 PolarHBondContact O-N 2.96Å; D157-H160 PolarHBondContact O-N 3.11Å; D157-R161 WeakPolarHBondContact O-CG 3.46Å; D157-R161 PolarHBondContact O-N 3.32Å; D157-R161 IonicContact OD2-CZ 3.1Å; D157-R161 IonicContact OD2-NE 3.59Å; D157-R161 PolarHBondContact OD2-NE 3.46Å; D157-R161 IonicContact OD2-NH2 2.69Å; D157-R161 PolarHBondContact OD2-NH2 2.89Å; D157-R161 VanDerWaalsContact OD2-NH2 3.16Å |
| 158 | R | 83.8 | Confident | 80.7 | Confident | 168 Ų | 168 | 121 Ų | 121 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.2 | -51 | 174.9 | -171.6 | 177.9 | -68.7 | -176.5 | -0.2 | 111.8 | E154 D155 R156 H160 R161 D162 | E154-R158 WeakPolarHBondContact O-CB 3.48Å; E154-R158 PolarHBondContact O-N 3.35Å; D155-R158 PolarHBondContact O-N 3.43Å; R156-R158 VanDerWaalsContact C-N 3.32Å; R158-H160 VanDerWaalsContact C-N 3.27Å; R158-H160 PolarHBondContact O-N 2.98Å; R158-R161 WeakPolarHBondContact O-CB 3.23Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-R161 VanDerWaalsContact O-N 3.11Å; R158-D162 PolarHBondContact O-N 3.47Å |
| 159 | S | 82.5 | Confident | 79.7 | Confident | 65 Ų | 65 | 120.8 Ų | 120.8 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | D155 R156 D162 D163 | D155-S159 WeakPolarHBondContact O-CB 3.27Å; D155-S159 PolarHBondContact O-N 2.91Å; R156-S159 PolarHBondContact O-N 2.87Å; S159-D162 PolarHBondContact O-N 3.2Å; S159-D163 WeakPolarHBondContact O-CB 3.45Å; S159-D163 PolarHBondContact O-N 2.98Å |
| 160 | H | 84.2 | Confident | 78.5 | Confident | 113 Ų | 113 | 119.5 Ų | 119.5 | 52% | 0.523 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.4 | -35.8 | 178.3 | -176.5 | -87.5 | 0 | 0 | 0 | 112.5 | R156 D157 R158 M164 | R156-H160 VanDerWaalsContact O-CB 3.27Å; R156-H160 WeakPolarHBondContact O-CB 3.38Å; R156-H160 PolarHBondContact O-N 3.39Å; D157-H160 PolarHBondContact O-N 3.11Å; R158-H160 VanDerWaalsContact C-N 3.27Å; R158-H160 PolarHBondContact O-N 2.98Å; H160-M164 PolarHBondContact O-N 3.3Å; H160-M164 VanDerWaalsContact O-N 3.08Å |
| 161 | R | 82.4 | Confident | 77.1 | Confident | 148 Ų | 148 | 123.5 Ų | 123.5 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.7 | -48.8 | 172.4 | -77.5 | -178.5 | -171.2 | 178.4 | 7.4 | 111.6 | D157 R158 D163 M164 E165 | D157-R161 WeakPolarHBondContact O-CG 3.46Å; D157-R161 PolarHBondContact O-N 3.32Å; D157-R161 IonicContact OD2-CZ 3.1Å; D157-R161 IonicContact OD2-NE 3.59Å; D157-R161 PolarHBondContact OD2-NE 3.46Å; D157-R161 IonicContact OD2-NH2 2.69Å; D157-R161 PolarHBondContact OD2-NH2 2.89Å; D157-R161 VanDerWaalsContact OD2-NH2 3.16Å; R158-R161 WeakPolarHBondContact O-CB 3.23Å; R158-R161 PolarHBondContact O-N 3.43Å; R158-R161 VanDerWaalsContact O-N 3.11Å; R161-D163 VanDerWaalsContact C-N 3.29Å; R161-D163 PolarHBondContact O-N 2.9Å; R161-M164 PolarHBondContact O-N 3.49Å; R161-M164 VanDerWaalsContact O-N 3.12Å; R161-E165 PolarHBondContact O-N 2.97Å |
| 162 | D | 83.3 | Confident | 75.4 | Confident | 87 Ų | 87 | 122.8 Ų | 122.8 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.4 | -41.2 | 179.9 | -65.9 | -12.1 | 0 | 0 | 0 | 110.7 | R158 S159 E165 A166 | R158-D162 PolarHBondContact O-N 3.47Å; S159-D162 PolarHBondContact O-N 3.2Å; D162-E165 PolarHBondContact O-N 2.85Å; D162-A166 WeakPolarHBondContact O-CB 3.35Å; D162-A166 PolarHBondContact O-N 3.48Å |
| 163 | D | 79.1 | Confident | 73.7 | Confident | 96 Ų | 96 | 124.6 Ų | 124.6 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.1 | -40 | 174.6 | -78.9 | -18 | 0 | 0 | 0 | 112.7 | S159 R161 R167 | S159-D163 WeakPolarHBondContact O-CB 3.45Å; S159-D163 PolarHBondContact O-N 2.98Å; R161-D163 VanDerWaalsContact C-N 3.29Å; R161-D163 PolarHBondContact O-N 2.9Å; D163-R167 WeakPolarHBondContact O-CB 3.38Å; D163-R167 WeakPolarHBondContact O-CG 3.46Å; D163-R167 PolarHBondContact O-N 3.43Å |
| 164 | M | 76.9 | Confident | 72.3 | Confident | 100 Ų | 100 | 123.5 Ų | 123.5 | 49% | 0.493 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.5 | -39.7 | 174.8 | -93.4 | -132.5 | -74.6 | 0 | 0 | 112.2 | H160 R161 R167 R168 | H160-M164 PolarHBondContact O-N 3.3Å; H160-M164 VanDerWaalsContact O-N 3.08Å; R161-M164 PolarHBondContact O-N 3.49Å; R161-M164 VanDerWaalsContact O-N 3.12Å; M164-R167 PolarHBondContact O-N 3.26Å; M164-R168 WeakPolarHBondContact O-CG 3.34Å; M164-R168 PolarHBondContact O-N 2.95Å |
| 165 | E | 78.1 | Confident | 70.7 | Confident | 114 Ų | 114 | 120.5 Ų | 120.5 | 53% | 0.533 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -67.1 | -41.6 | 175.7 | -73.2 | -173.9 | -176.7 | 0 | 0 | 111.6 | R161 D162 R167 R168 Q169 | R161-E165 PolarHBondContact O-N 2.97Å; D162-E165 PolarHBondContact O-N 2.85Å; E165-R167 PolarHBondContact O-N 3.33Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.08Å |
| 166 | A | 75.1 | Confident | 69.1 | Low | 42 Ų | 42 | 120.9 Ų | 120.9 | 35% | 0.347 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.2 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D162 Q169 Q170 | D162-A166 WeakPolarHBondContact O-CB 3.35Å; D162-A166 PolarHBondContact O-N 3.48Å; A166-Q169 PolarHBondContact O-N 3.12Å; A166-Q170 WeakPolarHBondContact O-CG 3.42Å; A166-Q170 PolarHBondContact O-N 3.03Å |
| 167 | R | 71.1 | Confident | 67.2 | Low | 190 Ų | 190 | 120.1 Ų | 120.1 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.2 | -40.6 | 173.8 | -76.5 | -179.6 | -179.9 | -161.4 | 1.2 | 112.5 | D163 M164 E165 Q169 Q170 D171 | D163-R167 WeakPolarHBondContact O-CB 3.38Å; D163-R167 WeakPolarHBondContact O-CG 3.46Å; D163-R167 PolarHBondContact O-N 3.43Å; M164-R167 PolarHBondContact O-N 3.26Å; E165-R167 PolarHBondContact O-N 3.33Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 2.93Å; R167-Q170 PolarHBondContact O-N 3.33Å; R167-D171 PolarHBondContact O-N 3.12Å |
| 168 | R | 66.6 | Low | 65.6 | Low | 196 Ų | 196 | 124.5 Ų | 124.5 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.7 | -33.4 | 174.5 | -80.3 | -177.9 | 176.6 | -166.6 | -0.3 | 113.1 | M164 E165 | M164-R168 WeakPolarHBondContact O-CG 3.34Å; M164-R168 PolarHBondContact O-N 2.95Å; E165-R168 PolarHBondContact O-N 2.9Å |
| 169 | Q | 62.2 | Low | 64 | Low | 160 Ų | 160 | 119.6 Ų | 119.6 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.2 | -22.3 | 176.4 | -69.8 | 178.2 | 43.4 | 0 | 0 | 112.8 | E165 A166 R167 | E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.08Å; A166-Q169 PolarHBondContact O-N 3.12Å; R167-Q169 VanDerWaalsContact C-N 3.29Å; R167-Q169 PolarHBondContact O-N 2.93Å |
| 170 | Q | 59 | Low | 62.1 | Low | 152 Ų | 152 | 123 Ų | 123 | 71% | 0.71 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -87.2 | -12.6 | 176.9 | -76 | -179.7 | 23.3 | 0 | 0 | 114.7 | A166 R167 P172 | A166-Q170 WeakPolarHBondContact O-CG 3.42Å; A166-Q170 PolarHBondContact O-N 3.03Å; R167-Q170 PolarHBondContact O-N 3.33Å; Q170-P172 VanDerWaalsContact C-CD 3.42Å; Q170-P172 WeakPolarHBondContact O-CD 2.95Å |
| 171 | D | 53.7 | Low | 60.5 | Low | 133 Ų | 133 | 121 Ų | 121 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -95.7 | 88.1 | 167.8 | -93.3 | -28.9 | 0 | 0 | 0 | 110.4 | R167 S173 | R167-D171 PolarHBondContact O-N 3.12Å; D171-S173 PolarHBondContact O-N 3.21Å; D171-S173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | P | 49.5 | Very low | 58.9 | Low | 110 Ų | 110 | 121 Ų | 121 | 71% | 0.714 | 70% | 0.696 | S | S | * | * | trans | -67.7 | 109.8 | 157.7 | 29.4 | -28.2 | 0 | 0 | 0 | 106.2 | Q170 | Q170-P172 VanDerWaalsContact C-CD 3.42Å; Q170-P172 WeakPolarHBondContact O-CD 2.95Å | ||
| 173 | S | 49.9 | Very low | 57 | Low | 106 Ų | 106 | 124.5 Ų | 124.5 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -46 | 130.4 | 170.2 | -69.2 | 0 | 0 | 0 | 0 | 109.3 | D171 G175 | D171-S173 PolarHBondContact O-N 3.21Å; D171-S173 VanDerWaalsContact O-N 3.12Å; S173-G175 PolarHBondContact O-N 3.22Å; S173-G175 VanDerWaalsContact O-N 3.11Å | ||
| 174 | P | 49.6 | Very low | 55.4 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -59.1 | 123.1 | 170.5 | -10.5 | 22.6 | 0 | 0 | 0 | 106.7 | S176 | P174-S176 PolarHBondContact O-N 3.04Š| ||
| 175 | G | 50.4 | Low | 54.1 | Low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -44.8 | 131 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S173 N177 | S173-G175 PolarHBondContact O-N 3.22Å; S173-G175 VanDerWaalsContact O-N 3.11Å; G175-N177 VanDerWaalsContact C-N 3.32Å; G175-N177 PolarHBondContact O-N 2.91Å | ||
| 176 | S | 48.8 | Very low | 52.6 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -56.2 | 92.4 | 160 | 32.7 | 0 | 0 | 0 | 0 | 109.7 | P174 L178 | P174-S176 PolarHBondContact O-N 3.04Å; S176-L178 PolarHBondContact O-N 3.11Å | ||
| 177 | N | 42.9 | Very low | 51.1 | Low | 172 Ų | 172 | 145.9 Ų | 145.9 | 92% | 0.92 | 79% | 0.79 | S | S | * | * | trans | -79.3 | 79.3 | 165.8 | -120.3 | 20.2 | 0 | 0 | 0 | 108.5 | G175 | G175-N177 VanDerWaalsContact C-N 3.32Å; G175-N177 PolarHBondContact O-N 2.91Å | ||
| 178 | L | 49.1 | Very low | 50.1 | Low | 161 Ų | 161 | 143.7 Ų | 143.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 114.4 | 163.3 | -88.7 | 157.7 | 0 | 0 | 0 | 108.7 | S176 | S176-L178 PolarHBondContact O-N 3.11Š| ||
| 179 | G | 49.6 | Very low | 49.2 | Very low | 65 Ų | 65 | 140.9 Ų | 140.9 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 75.7 | 98.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 180 | S | 43.1 | Very low | 48.5 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -155.8 | 81.2 | 141.8 | -83.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 181 | G | 50.6 | Low | 47.8 | Very low | 71 Ų | 71 | 139.1 Ų | 139.1 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | -129.1 | 93.4 | 164 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 182 | D | 48.1 | Very low | 47.5 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | 165.7 | 103.5 | 135.7 | -98.9 | -26.3 | 0 | 0 | 0 | 110 | ||||
| 183 | E | 43.6 | Very low | 47.3 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 84.5 | 153.2 | -151.6 | -172.6 | 137.5 | 0 | 0 | 107.3 | K185 | E183-K185 PolarHBondContact O-N 3.4Å; E183-K185 WeakPolarHBondContact OE1-CE 3.22Å; E183-K185 IonicContact OE1-NZ 3.52Å | ||
| 184 | L | 46.4 | Very low | 47.2 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -67.4 | 104.8 | 166 | -117.8 | 110.2 | 0 | 0 | 0 | 108.2 | ||||
| 185 | K | 48.7 | Very low | 47 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | trans | -93.7 | 116.9 | 161.6 | -85.5 | -176.6 | 178.9 | 161.5 | 0 | 110.1 | E183 R187 | E183-K185 PolarHBondContact O-N 3.4Å; E183-K185 WeakPolarHBondContact OE1-CE 3.22Å; E183-K185 IonicContact OE1-NZ 3.52Å; K185-R187 PolarHBondContact O-N 3.22Å | ||
| 186 | L | 46.9 | Very low | 46.7 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -40.7 | 121.3 | 159.3 | -105.9 | 70 | 0 | 0 | 0 | 111.9 | ||||
| 187 | R | 42.5 | Very low | 46.5 | Very low | 316 Ų | 316 | 155.8 Ų | 155.8 | 100% | 1.192 | 84% | 0.84 | S | S | * | * | -174.9 | 0 | 114.4 | -114.7 | -179.6 | 169.8 | 179.1 | -2.8 | 112.3 | K185 | K185-R187 PolarHBondContact O-N 3.22Š|
Retrieved 187 of 187 residues in 64.3 ms
(Link to these results)