| 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 | 46.6 | Very low | 81.1 | Confident | 229 Ų | 229 | 86.5 Ų | 86.5 | 100% | 1.128 | 44% | 0.438 | S | S | * | . | 0 | 136.7 | 0 | -76.4 | 179.1 | -179.8 | 0 | 0 | 107.9 | R3 | M1-R3 PolarHBondContact O-N 3.35Š| |||
| 2 | P | 55.6 | Low | 82.2 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | trans | -60.5 | 133.9 | 178.5 | -13.6 | 26.5 | 0 | 0 | 0 | 109.6 | V4 A139 | P2-V4 VanDerWaalsContact C-N 3.31Å; P2-A139 HydrophobicContact CB-CB 4.06Å | ||
| 3 | R | 76.5 | Confident | 83 | Confident | 180 Ų | 180 | 82.1 Ų | 82.1 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -77.6 | -23.2 | 177.9 | -66.1 | -177.9 | 179.6 | -178.7 | 0 | 111.9 | M1 I102 G105 | M1-R3 PolarHBondContact O-N 3.35Å; R3-I102 HydrophobicContact CB-CD1 4.09Å; R3-I102 WeakPolarHBondContact O-CG2 3.39Å; R3-G105 WeakPolarHBondContact O-CA 3.19Å |
| 4 | V | 85.5 | Confident | 83.7 | Confident | 10 Ų | 10 | 84 Ų | 84 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -117.2 | 153.8 | -175.9 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | P2 Q8 I102 G105 E135 A139 | P2-V4 VanDerWaalsContact C-N 3.31Å; V4-Q8 HydrophobicContact CB-CG 4.46Å; V4-I102 HydrophobicContact CG1-CD1 4.05Å; V4-I102 HydrophobicContact CG1-CG1 4.36Å; V4-I102 HydrophobicContact CG1-CG2 4.13Å; V4-G105 CarbonylContact C-O 3.54Å; V4-G105 WeakPolarHBondContact CA-O 3.48Å; V4-G105 WeakPolarHBondContact CB-O 3.39Å; V4-E135 HydrophobicContact CG1-CB 3.72Å; V4-E135 HydrophobicContact CG1-CG 4.47Å; V4-E135 HydrophobicContact CG2-CB 4.13Å; V4-E135 WeakPolarHBondContact CG2-O 3.33Å; V4-A139 HydrophobicContact CG2-CB 3.66Å |
| 5 | V | 86.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | trans | -88.8 | 155.5 | 173.5 | -67 | 0 | 0 | 0 | 0 | 110.9 | Q8 K11 G105 V106 | V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.49Å; V5-K11 HydrophobicContact CG2-CD 3.53Å; V5-G105 WeakPolarHBondContact CG2-O 3.36Å; V5-G105 PolarHBondContact N-O 3.48Å; V5-V106 HydrophobicContact CG2-CG2 4.25Å | ||
| 6 | P | 83.7 | Confident | 84.9 | Confident | 109 Ų | 109 | 85.3 Ų | 85.3 | 71% | 0.708 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -60.2 | 150.9 | 166.5 | -18.2 | 31 | 0 | 0 | 0 | 111 | Q8 | P6-Q8 PolarHBondContact O-N 3.35Š|
| 7 | D | 87.9 | Confident | 85.3 | Confident | 104 Ų | 104 | 83.4 Ų | 83.4 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 50 | 53.1 | 175.7 | -165.5 | 6.5 | 0 | 0 | 0 | 113.2 | R9 S10 K11 | D7-R9 PolarHBondContact O-N 3.34Å; D7-R9 VanDerWaalsContact O-N 3.17Å; D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; D7-S10 VanDerWaalsContact OD1-CB 3.27Å; D7-S10 WeakPolarHBondContact OD1-CB 3.47Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 WeakPolarHBondContact OD2-CB 3.36Å; D7-K11 PolarHBondContact O-N 3.44Å; D7-K11 VanDerWaalsContact O-N 3.13Å |
| 8 | Q | 91.8 | Very high | 85.8 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -54.8 | -35.1 | -178.3 | -60.5 | -177.9 | 50.8 | 0 | 0 | 112.5 | V4 V5 P6 K11 F12 V106 C107 F127 A132 | V4-Q8 HydrophobicContact CB-CG 4.46Å; V5-Q8 HydrophobicContact CG2-CG 4.24Å; V5-Q8 WeakPolarHBondContact O-CG 3.49Å; P6-Q8 PolarHBondContact O-N 3.35Å; Q8-K11 PolarHBondContact O-N 3.44Å; Q8-F12 WeakPolarHBondContact O-CB 3.37Å; Q8-F12 PolarHBondContact O-N 3.21Å; Q8-V106 HydrophobicContact CB-CG1 4.28Å; Q8-C107 PolarHBondContact OE1-SG 3.33Å; Q8-F127 HydrophobicContact CB-CE2 3.84Å; Q8-F127 HydrophobicContact CB-CZ 4.17Å; Q8-A132 HydrophobicContact CB-CB 4.36Å; Q8-A132 PolarHBondContact NE2-O 3.21Å |
| 9 | R | 92.1 | Very high | 86.2 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62 | -52.1 | 178.1 | 178.2 | -179.7 | -76.8 | -86.8 | 6.2 | 110.9 | D7 K11 F12 E13 F127 E129 | D7-R9 PolarHBondContact O-N 3.34Å; D7-R9 VanDerWaalsContact O-N 3.17Å; R9-K11 VanDerWaalsContact C-N 3.26Å; R9-K11 PolarHBondContact O-N 3.11Å; R9-F12 PolarHBondContact O-N 3.11Å; R9-F12 VanDerWaalsContact O-N 3.16Å; R9-E13 HydrophobicContact CG-CG 4.44Å; R9-E13 VanDerWaalsContact CG-OE1 3.25Å; R9-E13 WeakPolarHBondContact CG-OE1 3.45Å; R9-E13 IonicContact NH1-OE1 3.07Å; R9-E13 PolarHBondContact NH1-OE1 2.96Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.49Å; R9-F127 HydrophobicContact CB-CE1 4.02Å; R9-F127 HydrophobicContact CB-CZ 3.95Å; R9-F127 HydrophobicContact CG-CE1 4.44Å; R9-E129 IonicContact CZ-OE1 3.32Å; R9-E129 IonicContact NE-OE1 2.63Å; R9-E129 IonicContact NH2-OE1 3.84Å; R9-E129 PolarHBondContact NH2-OE1 3.44Å; R9-E129 IonicContact NH2-OE2 2.97Å; R9-E129 PolarHBondContact NH2-OE2 2.97Å |
| 10 | S | 93.2 | Very high | 86.5 | Confident | 43 Ų | 43 | 82.2 Ų | 82.2 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.2 | -40.7 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | D7 E13 N14 | D7-S10 PolarHBondContact O-N 2.87Å; D7-S10 VanDerWaalsContact O-N 3.16Å; D7-S10 VanDerWaalsContact OD1-CB 3.27Å; D7-S10 WeakPolarHBondContact OD1-CB 3.47Å; D7-S10 PolarHBondContact OD1-N 3.04Å; D7-S10 WeakPolarHBondContact OD2-CB 3.36Å; S10-E13 PolarHBondContact O-N 3.31Å; S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.48Å; S10-N14 PolarHBondContact O-ND2 3.25Å; S10-N14 PolarHBondContact OG-ND2 2.98Å; S10-N14 VanDerWaalsContact OG-ND2 3.14Å |
| 11 | K | 93 | Very high | 86.9 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 27% | 0.265 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -46 | 175.6 | -171.4 | 170.6 | -178.3 | 178.8 | 0 | 112 | V5 D7 Q8 R9 E13 E15 F18 N104 V106 | V5-K11 HydrophobicContact CG2-CD 3.53Å; D7-K11 PolarHBondContact O-N 3.44Å; D7-K11 VanDerWaalsContact O-N 3.13Å; Q8-K11 PolarHBondContact O-N 3.44Å; R9-K11 VanDerWaalsContact C-N 3.26Å; R9-K11 PolarHBondContact O-N 3.11Å; K11-E13 VanDerWaalsContact C-N 3.34Å; K11-E13 PolarHBondContact O-N 3.27Å; K11-E15 WeakPolarHBondContact CE-OE2 3.35Å; K11-E15 HydrophobicContact CG-CB 4.45Å; K11-E15 WeakPolarHBondContact CG-OE2 3.32Å; K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.43Å; K11-F18 HydrophobicContact CG-CD2 4.45Å; K11-F18 HydrophobicContact CG-CE2 4.16Å; K11-N104 PolarHBondContact NZ-O 3.01Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.94Å |
| 12 | F | 93.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 69.6 Ų | 69.6 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.6 | -175.3 | -95.1 | 0 | 0 | 0 | 112.8 | Q8 R9 F18 V106 V108 L125 F127 | Q8-F12 WeakPolarHBondContact O-CB 3.37Å; Q8-F12 PolarHBondContact O-N 3.21Å; R9-F12 PolarHBondContact O-N 3.11Å; R9-F12 VanDerWaalsContact O-N 3.16Å; F12-F18 HydrophobicContact CD2-CB 3.9Å; F12-F18 AromaticContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CE1 4.4Å; F12-F18 AromaticContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CE2-CB 4.28Å; F12-F18 HydrophobicContact CE2-CD1 4.02Å; F12-F18 HydrophobicContact CE2-CG 4.44Å; F12-F18 HydrophobicContact CG-CB 4.33Å; F12-F18 WeakPolarHBondContact O-CB 3.41Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.13Å; F12-V108 HydrophobicContact CD2-CG1 3.75Å; F12-V108 HydrophobicContact CE2-CG1 3.73Å; F12-L125 HydrophobicContact CE2-CB 4.29Å; F12-F127 HydrophobicContact CB-CD2 3.98Å; F12-F127 HydrophobicContact CD1-CB 3.7Å; F12-F127 HydrophobicContact CD1-CG 4.34Å; F12-F127 HydrophobicContact CD2-CB 4.29Å; F12-F127 HydrophobicContact CD2-CD2 4.36Å; F12-F127 HydrophobicContact CE1-CB 3.76Å; F12-F127 HydrophobicContact CE2-CB 4.34Å; F12-F127 HydrophobicContact CG-CB 3.97Å; F12-F127 HydrophobicContact CG-CD2 4.03Å; F12-F127 HydrophobicContact CG-CG 4.31Å; F12-F127 HydrophobicContact CZ-CB 4.09Å |
| 13 | E | 93.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 73.8 Ų | 73.8 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -79.5 | -32.5 | -175.3 | -70.4 | 174.3 | -175.1 | 0 | 0 | 113.2 | R9 S10 K11 R19 | R9-E13 HydrophobicContact CG-CG 4.44Å; R9-E13 VanDerWaalsContact CG-OE1 3.25Å; R9-E13 WeakPolarHBondContact CG-OE1 3.45Å; R9-E13 IonicContact NH1-OE1 3.07Å; R9-E13 PolarHBondContact NH1-OE1 2.96Å; R9-E13 WeakPolarHBondContact O-CG 3.26Å; R9-E13 PolarHBondContact O-N 3.49Å; S10-E13 PolarHBondContact O-N 3.31Å; K11-E13 VanDerWaalsContact C-N 3.34Å; K11-E13 PolarHBondContact O-N 3.27Å; E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 WeakPolarHBondContact O-CG 3.41Å |
| 14 | N | 92.9 | Very high | 91.7 | Very high | 109 Ų | 109 | 71.6 Ų | 71.6 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -102.5 | -27.4 | -171.9 | -65.4 | -55.3 | 0 | 0 | 0 | 114.1 | S10 E16 | S10-N14 VanDerWaalsContact O-CB 3.25Å; S10-N14 WeakPolarHBondContact O-CB 3.35Å; S10-N14 PolarHBondContact O-N 3.48Å; S10-N14 PolarHBondContact O-ND2 3.25Å; S10-N14 PolarHBondContact OG-ND2 2.98Å; S10-N14 VanDerWaalsContact OG-ND2 3.14Å; N14-E16 PolarHBondContact O-N 2.94Å |
| 15 | E | 93.5 | Very high | 92.1 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | trans | -74.2 | 127.2 | -178.5 | -166.7 | -179.9 | 160.1 | 0 | 0 | 110.7 | K11 F17 F18 R19 | K11-E15 WeakPolarHBondContact CE-OE2 3.35Å; K11-E15 HydrophobicContact CG-CB 4.45Å; K11-E15 WeakPolarHBondContact CG-OE2 3.32Å; K11-E15 WeakPolarHBondContact O-CB 3.34Å; K11-E15 PolarHBondContact O-N 3.43Å; E15-F17 HydrophobicContact CG-CB 4.17Å; E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.14Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.44Å; E15-F18 PolarHBondContact O-N 2.95Å; E15-F18 VanDerWaalsContact O-N 3.11Å; E15-F18 WeakPolarHBondContact OE2-CE2 2.97Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.8Å | ||
| 16 | E | 92.4 | Very high | 92.6 | Very high | 127 Ų | 127 | 74.1 Ų | 74.1 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.4 | -35.4 | -177.1 | -171.2 | -176.7 | 171.5 | 0 | 0 | 112.4 | N14 R19 K20 | N14-E16 PolarHBondContact O-N 2.94Å; E16-R19 PolarHBondContact O-N 3.33Å; E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 WeakPolarHBondContact O-CG 3.44Å; E16-K20 PolarHBondContact O-N 3.5Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 2.75Å; E16-K20 PolarHBondContact OE1-NZ 2.94Å |
| 17 | F | 92.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 23% | 0.232 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.9 | -54.2 | 175.8 | 176.5 | -102 | 0 | 0 | 0 | 112 | E15 K20 L21 T62 L103 | E15-F17 HydrophobicContact CG-CB 4.17Å; E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.14Å; F17-K20 PolarHBondContact O-N 2.85Å; F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 HydrophobicContact CD2-CD1 4.33Å; F17-L21 HydrophobicContact CE1-CD1 3.8Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.46Å; F17-L21 VanDerWaalsContact CZ-CD1 3.46Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.24Å; F17-T62 HydrophobicContact CE2-CG2 4.05Å; F17-T62 HydrophobicContact CZ-CG2 4.05Å; F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.02Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F17-L103 HydrophobicContact CZ-CG 4.45Å |
| 18 | F | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.3 | -72.3 | -66.5 | 0 | 0 | 0 | 112.2 | K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125 | K11-F18 HydrophobicContact CG-CD2 4.45Å; K11-F18 HydrophobicContact CG-CE2 4.16Å; F12-F18 HydrophobicContact CD2-CB 3.9Å; F12-F18 AromaticContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CD1 3.67Å; F12-F18 HydrophobicContact CD2-CE1 4.4Å; F12-F18 AromaticContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CD2-CG 3.84Å; F12-F18 HydrophobicContact CE2-CB 4.28Å; F12-F18 HydrophobicContact CE2-CD1 4.02Å; F12-F18 HydrophobicContact CE2-CG 4.44Å; F12-F18 HydrophobicContact CG-CB 4.33Å; F12-F18 WeakPolarHBondContact O-CB 3.41Å; E15-F18 HydrophobicContact CB-CD2 3.99Å; E15-F18 HydrophobicContact CG-CD2 4.44Å; E15-F18 PolarHBondContact O-N 2.95Å; E15-F18 VanDerWaalsContact O-N 3.11Å; E15-F18 WeakPolarHBondContact OE2-CE2 2.97Å; F18-K20 PolarHBondContact O-N 2.96Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 PolarHBondContact O-N 3.15Å; F18-L21 VanDerWaalsContact O-N 3.15Å; F18-S22 VanDerWaalsContact O-CB 3.31Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 3.21Å; F18-S22 PolarHBondContact O-OG 3.48Å; F18-L103 HydrophobicContact CE1-CB 4.26Å; F18-L103 HydrophobicContact CE1-CD2 4.09Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 WeakPolarHBondContact CZ-O 3.4Å; F18-N104 HydrophobicContact CE2-CB 4.44Å; F18-N104 HydrophobicContact CZ-CB 4.11Å; F18-V106 HydrophobicContact CD2-CG2 4.48Å; F18-V106 HydrophobicContact CE1-CB 4.16Å; F18-V106 HydrophobicContact CE1-CG2 4.49Å; F18-V106 HydrophobicContact CE2-CB 4.16Å; F18-V106 HydrophobicContact CE2-CG2 3.61Å; F18-V106 HydrophobicContact CZ-CB 3.67Å; F18-V106 HydrophobicContact CZ-CG1 4.37Å; F18-V106 HydrophobicContact CZ-CG2 3.62Å; F18-V108 HydrophobicContact CD1-CG1 4.4Å; F18-V108 HydrophobicContact CE1-CG1 4.09Å; F18-L125 HydrophobicContact CD1-CD1 4.28Å |
| 19 | R | 93.4 | Very high | 94 | Very high | 128 Ų | 128 | 68.3 Ų | 68.3 | 48% | 0.483 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.8 | -33 | 176.8 | -72.2 | -174.7 | 67 | 143.1 | -0.1 | 113.8 | E13 E15 E16 S22 | E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 2.8Å; E16-R19 PolarHBondContact O-N 3.33Å; R19-S22 PolarHBondContact O-OG 2.93Å |
| 20 | K | 92.7 | Very high | 94.1 | Very high | 97 Ų | 97 | 64.5 Ų | 64.5 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -71.6 | -47.7 | 174.6 | -77.2 | 175.4 | -179.6 | 169.4 | 0 | 110.6 | E16 F17 F18 S22 R23 T60 | E16-K20 HydrophobicContact CG-CD 4.26Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 WeakPolarHBondContact O-CG 3.44Å; E16-K20 PolarHBondContact O-N 3.5Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 2.75Å; E16-K20 PolarHBondContact OE1-NZ 2.94Å; F17-K20 PolarHBondContact O-N 2.85Å; F18-K20 PolarHBondContact O-N 2.96Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.49Å; K20-R23 PolarHBondContact O-N 3.44Å; K20-T60 HydrophobicContact CD-CG2 4.47Å |
| 21 | L | 93.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.9 | -17.4 | -176.3 | -61 | -173.4 | 0 | 0 | 0 | 113.9 | F17 F18 R23 F57 T60 T62 L103 C124 L125 | F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 HydrophobicContact CD2-CD1 4.33Å; F17-L21 HydrophobicContact CE1-CD1 3.8Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.46Å; F17-L21 VanDerWaalsContact CZ-CD1 3.46Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 3.24Å; F18-L21 CarbonylContact O-C 3.58Å; F18-L21 PolarHBondContact O-N 3.15Å; F18-L21 VanDerWaalsContact O-N 3.15Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-F57 HydrophobicContact CB-CZ 4.4Å; L21-F57 HydrophobicContact CD1-CD2 4.47Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.01Å; L21-F57 HydrophobicContact CD2-CD1 3.78Å; L21-F57 HydrophobicContact CD2-CD2 3.63Å; L21-F57 HydrophobicContact CD2-CE1 4.07Å; L21-F57 HydrophobicContact CD2-CE2 3.94Å; L21-F57 HydrophobicContact CD2-CG 3.53Å; L21-F57 HydrophobicContact CD2-CZ 4.15Å; L21-T60 HydrophobicContact CD2-CG2 4.11Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-L103 HydrophobicContact CD1-CD2 4.5Å; L21-C124 CarbonylContact O-C 3.47Å; L21-C124 VanDerWaalsContact O-CA 3.24Å; L21-C124 WeakPolarHBondContact O-CA 3.45Å; L21-L125 HydrophobicContact CB-CB 4.47Å; L21-L125 HydrophobicContact CB-CD1 3.66Å; L21-L125 HydrophobicContact CB-CG 3.99Å; L21-L125 HydrophobicContact CD1-CD1 3.75Å; L21-L125 HydrophobicContact CG-CD1 4.38Å; L21-L125 PolarHBondContact O-N 3.3Å |
| 22 | S | 93.7 | Very high | 94.1 | Very high | 46 Ų | 46 | 64.2 Ų | 64.2 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.3 | 175.6 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | F18 R19 K20 L125 | F18-S22 VanDerWaalsContact O-CB 3.31Å; F18-S22 WeakPolarHBondContact O-CB 3.49Å; F18-S22 PolarHBondContact O-N 3.21Å; F18-S22 PolarHBondContact O-OG 3.48Å; R19-S22 PolarHBondContact O-OG 2.93Å; K20-S22 VanDerWaalsContact C-N 3.32Å; K20-S22 PolarHBondContact O-N 3.49Å; S22-L125 VanDerWaalsContact CA-O 3.28Å; S22-L125 WeakPolarHBondContact CA-O 3.46Å; S22-L125 WeakPolarHBondContact CB-O 3.35Å |
| 23 | R | 93.6 | Very high | 94 | Very high | 164 Ų | 164 | 70.8 Ų | 70.8 | 62% | 0.619 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -82.9 | 143.4 | 170.7 | -63 | 175.9 | -178.9 | -175.8 | -3.4 | 108.9 | K20 L21 C25 | K20-R23 PolarHBondContact O-N 3.44Å; L21-R23 VanDerWaalsContact C-N 3.27Å; R23-C25 PolarHBondContact O-N 3.28Å; R23-C25 VanDerWaalsContact O-N 3.1Å; R23-C25 PolarHBondContact O-SG 2.91Å |
| 24 | E | 93.3 | Very high | 94.1 | Very high | 134 Ų | 134 | 72.1 Ų | 72.1 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | trans | -57.3 | 118.5 | 171.1 | -169.7 | 171.3 | -150.1 | 0 | 0 | 109.5 | M122 | E24-M122 HydrophobicContact CG-CB 3.76Å; E24-M122 HydrophobicContact CG-CG 4.33Å; E24-M122 WeakPolarHBondContact OE1-CB 3.38Å | ||
| 25 | C | 93.4 | Very high | 94.1 | Very high | 24 Ų | 24 | 72.4 Ų | 72.4 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.9 | -173.5 | -72.9 | 0 | 0 | 0 | 0 | 110.1 | R23 I27 F57 M122 G123 | R23-C25 PolarHBondContact O-N 3.28Å; R23-C25 VanDerWaalsContact O-N 3.1Å; R23-C25 PolarHBondContact O-SG 2.91Å; C25-I27 PolarHBondContact O-N 3.08Å; C25-F57 HydrophobicContact CB-CD1 3.63Å; C25-F57 HydrophobicContact CB-CE1 3.91Å; C25-M122 WeakPolarHBondContact O-CA 3.43Å; C25-G123 PolarHBondContact N-O 3.45Å; C25-G123 PolarHBondContact O-N 3.05Å |
| 26 | E | 97.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 73.5 Ų | 73.5 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 131.2 | 172.4 | -169.7 | -171.8 | 163 | 0 | 0 | 109.9 | K28 V58 G121 M122 | E26-K28 WeakPolarHBondContact OE1-CE 3.46Å; E26-K28 IonicContact OE1-NZ 3.96Å; E26-K28 PolarHBondContact OE1-NZ 3.41Å; E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.16Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.82Å; E26-V58 PolarHBondContact O-N 2.79Å; E26-G121 WeakPolarHBondContact CA-O 3.43Å; E26-M122 HydrophobicContact CB-SD 4.33Å |
| 27 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153 | 176.6 | 57.7 | 103.1 | 0 | 0 | 0 | 110.5 | C25 I55 A56 F57 W110 I114 D120 G121 | C25-I27 PolarHBondContact O-N 3.08Å; I27-I55 HydrophobicContact CG2-CD1 4.4Å; I27-A56 CarbonylContact C-O 3.22Å; I27-A56 WeakPolarHBondContact CA-O 3.08Å; I27-F57 HydrophobicContact CG2-CD1 3.55Å; I27-F57 HydrophobicContact CG2-CD2 4.46Å; I27-F57 HydrophobicContact CG2-CE1 3.72Å; I27-F57 HydrophobicContact CG2-CG 3.97Å; I27-F57 HydrophobicContact CG2-CZ 4.26Å; I27-W110 HydrophobicContact CD1-CZ2 4.01Å; I27-W110 HydrophobicContact CG1-CZ2 4.33Å; I27-I114 HydrophobicContact CD1-CD1 3.53Å; I27-I114 HydrophobicContact CD1-CG1 3.3Å; I27-D120 CarbonylContact O-C 3.5Å; I27-D120 WeakPolarHBondContact O-CA 3.08Å; I27-G121 PolarHBondContact N-O 2.91Å; I27-G121 PolarHBondContact O-N 2.8Å |
| 28 | K | 97.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 76.5 Ų | 76.5 | 39% | 0.391 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.6 | 177.1 | -69.9 | -173.5 | -178.3 | 178.4 | 0 | 111.1 | E26 T30 I55 A56 V58 D120 | E26-K28 WeakPolarHBondContact OE1-CE 3.46Å; E26-K28 IonicContact OE1-NZ 3.96Å; E26-K28 PolarHBondContact OE1-NZ 3.41Å; K28-T30 WeakPolarHBondContact O-CG2 3.46Å; K28-I55 CarbonylContact O-C 3.53Å; K28-I55 VanDerWaalsContact O-CA 3.22Å; K28-I55 WeakPolarHBondContact O-CA 3.4Å; K28-A56 PolarHBondContact N-O 2.98Å; K28-A56 PolarHBondContact O-N 2.89Å; K28-V58 HydrophobicContact CB-CG2 4.41Å; K28-V58 HydrophobicContact CD-CG2 3.9Å; K28-V58 HydrophobicContact CG-CG2 3.7Å; K28-D120 HydrophobicContact CG-CB 3.96Å |
| 29 | Y | 97 | Very high | 94.7 | Very high | 9 Ų | 9 | 79.4 Ų | 79.4 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.6 | 167.8 | 171.8 | -112.5 | 0 | 0 | 0 | 110.3 | G31 F32 R40 F44 S53 E54 L119 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.38Å; Y29-G31 VanDerWaalsContact CZ-CA 3.43Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.49Å; Y29-R40 PolarHBondContact O-NH2 3.22Å; Y29-F44 HydrophobicContact CD1-CB 4.05Å; Y29-F44 HydrophobicContact CD1-CD2 4.33Å; Y29-F44 HydrophobicContact CD1-CG 4.35Å; Y29-F44 HydrophobicContact CD2-CB 4.45Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.18Å; Y29-F44 HydrophobicContact CE1-CB 3.87Å; Y29-F44 HydrophobicContact CE2-CB 4.3Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.49Å; Y29-F44 HydrophobicContact CE2-CG 4.39Å; Y29-F44 HydrophobicContact CG-CB 4.31Å; Y29-F44 AromaticContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.14Å; Y29-S53 WeakPolarHBondContact CD2-OG 3.37Å; Y29-S53 WeakPolarHBondContact CE2-OG 3.19Å; Y29-E54 WeakPolarHBondContact CD2-O 3.3Å; Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 HydrophobicContact CD1-CD2 4.32Å; Y29-L119 PolarHBondContact N-O 3.38Å |
| 30 | T | 95.8 | Very high | 94.9 | Very high | 13 Ų | 13 | 75.3 Ų | 75.3 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | trans | -114.7 | -2.1 | -171.9 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | K28 R33 E54 A56 | K28-T30 WeakPolarHBondContact O-CG2 3.46Å; T30-R33 WeakPolarHBondContact O-CG 3.3Å; T30-E54 PolarHBondContact N-O 3.23Å; T30-E54 VanDerWaalsContact OG1-C 3.31Å; T30-E54 WeakPolarHBondContact OG1-CB 3.42Å; T30-E54 PolarHBondContact OG1-O 2.84Å; T30-A56 HydrophobicContact CG2-CB 3.48Å; T30-A56 VanDerWaalsContact CG2-CB 3.48Å | ||
| 31 | G | 93.1 | Very high | 95 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 145.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y29 R33 R40 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.38Å; Y29-G31 VanDerWaalsContact CZ-CA 3.43Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.18Å; G31-R40 PolarHBondContact O-NE 3.28Å |
| 32 | F | 93.1 | Very high | 95.1 | Very high | 94 Ų | 94 | 75 Ų | 75 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.3 | 171.2 | -55.9 | -83.5 | 0 | 0 | 0 | 114.1 | Y29 D34 R35 R40 R43 | Y29-F32 WeakPolarHBondContact OH-CD2 3.49Å; F32-D34 WeakPolarHBondContact CA-OD1 3.27Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-D34 VanDerWaalsContact O-N 3.13Å; F32-R35 HydrophobicContact CB-CB 4.2Å; F32-R35 HydrophobicContact CB-CG 3.82Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.41Å; F32-R40 HydrophobicContact CB-CG 4.34Å; F32-R40 WeakPolarHBondContact O-CD 3.49Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.38Å; F32-R40 PolarHBondContact O-NE 2.93Å; F32-R43 HydrophobicContact CD2-CB 4.06Å; F32-R43 VanDerWaalsContact CD2-CD 3.46Å; F32-R43 HydrophobicContact CD2-CG 4.36Å; F32-R43 HydrophobicContact CE2-CB 4.25Å; F32-R43 HydrophobicContact CE2-CG 4.46Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å |
| 33 | R | 91.6 | Very high | 95.2 | Very high | 161 Ų | 161 | 77.1 Ų | 77.1 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.9 | -179.4 | -74.2 | 173.1 | 176.7 | -172.4 | 2.6 | 113.9 | T30 G31 | T30-R33 WeakPolarHBondContact O-CG 3.3Å; G31-R33 VanDerWaalsContact C-N 3.32Å; G31-R33 PolarHBondContact O-N 3.18Å |
| 34 | D | 94.5 | Very high | 95.3 | Very high | 119 Ų | 119 | 69.3 Ų | 69.3 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.2 | 173.8 | 61.1 | -56.3 | 0 | 0 | 0 | 113.5 | F32 | F32-D34 WeakPolarHBondContact CA-OD1 3.27Å; F32-D34 PolarHBondContact O-N 2.92Å; F32-D34 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 94.7 | Very high | 95.3 | Very high | 115 Ų | 115 | 66 Ų | 66 | 43% | 0.434 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -98.6 | 155.3 | -173.6 | -58.7 | -63 | 168.1 | 155.9 | -1.3 | 113.1 | F32 E39 R40 | F32-R35 HydrophobicContact CB-CB 4.2Å; F32-R35 HydrophobicContact CB-CG 3.82Å; F32-R35 HydrophobicContact CD1-CG 4.47Å; F32-R35 WeakPolarHBondContact O-CB 3.46Å; F32-R35 PolarHBondContact O-N 3.41Å; R35-E39 HydrophobicContact CB-CB 4.36Å; R35-E39 HydrophobicContact CB-CG 4.46Å; R35-R40 HydrophobicContact CB-CG 4.01Å; R35-R40 VanDerWaalsContact O-CD 3.3Å; R35-R40 WeakPolarHBondContact O-CD 3.41Å |
| 36 | P | 96.1 | Very high | 95.3 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | trans | -56.2 | 151.6 | 172.2 | -23.3 | 34.1 | 0 | 0 | 0 | 112.3 | E38 E39 R40 | P36-E38 PolarHBondContact O-N 2.9Å; P36-E39 PolarHBondContact O-N 2.94Å; P36-E39 VanDerWaalsContact O-N 3.12Å; P36-R40 WeakPolarHBondContact O-CG 3.31Å; P36-R40 PolarHBondContact O-N 3.36Å | ||
| 37 | H | 95.6 | Very high | 95.1 | Very high | 87 Ų | 87 | 65.7 Ų | 65.7 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | -174.6 | -168.3 | 70.3 | 0 | 0 | 0 | 113.4 | E39 R40 Q41 Q117 | H37-E39 VanDerWaalsContact C-N 3.35Å; H37-E39 PolarHBondContact O-N 2.87Å; H37-R40 WeakPolarHBondContact O-CB 3.29Å; H37-R40 PolarHBondContact O-N 3.35Å; H37-R40 VanDerWaalsContact O-N 3.15Å; H37-Q41 PolarHBondContact CD2-NE2 3.45Å; H37-Q41 PolarHBondContact NE2-NE2 3.11Å; H37-Q41 WeakPolarHBondContact O-CG 3.42Å; H37-Q41 PolarHBondContact O-N 2.98Å; H37-Q117 PolarHBondContact CE1-O 2.91Å; H37-Q117 PolarHBondContact NE2-O 3.47Å |
| 38 | E | 95.6 | Very high | 94.8 | Very high | 157 Ų | 157 | 65.8 Ų | 65.8 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.6 | -40.7 | 177.4 | -66.9 | -177.6 | 168.8 | 0 | 0 | 112.7 | P36 R40 Q41 A42 | P36-E38 PolarHBondContact O-N 2.9Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 2.85Å; E38-Q41 WeakPolarHBondContact O-CB 3.47Å; E38-Q41 PolarHBondContact O-N 2.98Å; E38-A42 PolarHBondContact O-N 2.74Å; E38-A42 VanDerWaalsContact O-N 3.13Å |
| 39 | E | 96.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 176.1 | -169.9 | -175.2 | 155.2 | 0 | 0 | 110.5 | R35 P36 H37 Q41 A42 R43 | R35-E39 HydrophobicContact CB-CB 4.36Å; R35-E39 HydrophobicContact CB-CG 4.46Å; P36-E39 PolarHBondContact O-N 2.94Å; P36-E39 VanDerWaalsContact O-N 3.12Å; H37-E39 VanDerWaalsContact C-N 3.35Å; H37-E39 PolarHBondContact O-N 2.87Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.22Å; E39-A42 PolarHBondContact O-N 3.11Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.29Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 IonicContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.82Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.87Å |
| 40 | R | 96.6 | Very high | 94.1 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.2 | -66.4 | 177.4 | 67.4 | -143.2 | -7.1 | 111.9 | Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119 | Y29-R40 PolarHBondContact O-NH2 3.22Å; G31-R40 PolarHBondContact O-NE 3.28Å; F32-R40 HydrophobicContact CB-CG 4.34Å; F32-R40 WeakPolarHBondContact O-CD 3.49Å; F32-R40 VanDerWaalsContact O-CG 3.24Å; F32-R40 WeakPolarHBondContact O-CG 3.38Å; F32-R40 PolarHBondContact O-NE 2.93Å; R35-R40 HydrophobicContact CB-CG 4.01Å; R35-R40 VanDerWaalsContact O-CD 3.3Å; R35-R40 WeakPolarHBondContact O-CD 3.41Å; P36-R40 WeakPolarHBondContact O-CG 3.31Å; P36-R40 PolarHBondContact O-N 3.36Å; H37-R40 WeakPolarHBondContact O-CB 3.29Å; H37-R40 PolarHBondContact O-N 3.35Å; H37-R40 VanDerWaalsContact O-N 3.15Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 PolarHBondContact O-N 2.85Å; R40-R43 PolarHBondContact O-N 3.49Å; R40-F44 WeakPolarHBondContact O-CB 3.37Å; R40-F44 PolarHBondContact O-N 3.2Å; R40-L119 HydrophobicContact CB-CD1 3.61Å |
| 41 | Q | 95.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -50.3 | 174.9 | -67.4 | 168.8 | -19.8 | 0 | 0 | 111.5 | H37 E38 E39 R43 F44 Q45 Q117 L119 | H37-Q41 PolarHBondContact CD2-NE2 3.45Å; H37-Q41 PolarHBondContact NE2-NE2 3.11Å; H37-Q41 WeakPolarHBondContact O-CG 3.42Å; H37-Q41 PolarHBondContact O-N 2.98Å; E38-Q41 WeakPolarHBondContact O-CB 3.47Å; E38-Q41 PolarHBondContact O-N 2.98Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.22Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.4Å; Q41-F44 PolarHBondContact O-N 2.75Å; Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.31Å; Q41-Q117 PolarHBondContact NE2-O 2.82Å; Q41-L119 HydrophobicContact CG-CD1 4.18Å; Q41-L119 HydrophobicContact CG-CD2 4.44Å; Q41-L119 HydrophobicContact CG-CG 4.27Å |
| 42 | A | 95.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 77.4 Ų | 77.4 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E38 E39 Q45 N46 | E38-A42 PolarHBondContact O-N 2.74Å; E38-A42 VanDerWaalsContact O-N 3.13Å; E39-A42 PolarHBondContact O-N 3.11Å; A42-Q45 PolarHBondContact O-N 3Å; A42-N46 VanDerWaalsContact O-CG 3.29Å; A42-N46 PolarHBondContact O-N 2.84Å; A42-N46 PolarHBondContact O-ND2 2.89Å |
| 43 | R | 95.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 73.3 Ų | 73.3 | 34% | 0.343 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 177.1 | -73.3 | -177 | -176.7 | -73.3 | -3.1 | 112.4 | F32 E39 R40 Q41 N46 A47 | F32-R43 HydrophobicContact CD2-CB 4.06Å; F32-R43 VanDerWaalsContact CD2-CD 3.46Å; F32-R43 HydrophobicContact CD2-CG 4.36Å; F32-R43 HydrophobicContact CE2-CB 4.25Å; F32-R43 HydrophobicContact CE2-CG 4.46Å; F32-R43 VanDerWaalsContact CG-CD 3.49Å; E39-R43 WeakPolarHBondContact O-CB 3.26Å; E39-R43 VanDerWaalsContact O-CG 3.29Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 IonicContact OE1-CZ 3.26Å; E39-R43 IonicContact OE1-NE 2.82Å; E39-R43 PolarHBondContact OE1-NE 3.42Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.87Å; R40-R43 PolarHBondContact O-N 3.49Å; Q41-R43 VanDerWaalsContact C-N 3.33Å; Q41-R43 PolarHBondContact O-N 3.4Å; R43-N46 PolarHBondContact O-N 3.35Å; R43-A47 VanDerWaalsContact O-CB 3.25Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.38Å |
| 44 | F | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 177.3 | 175.9 | -118.2 | 0 | 0 | 0 | 111.6 | Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119 | Y29-F44 HydrophobicContact CD1-CB 4.05Å; Y29-F44 HydrophobicContact CD1-CD2 4.33Å; Y29-F44 HydrophobicContact CD1-CG 4.35Å; Y29-F44 HydrophobicContact CD2-CB 4.45Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.18Å; Y29-F44 HydrophobicContact CE1-CB 3.87Å; Y29-F44 HydrophobicContact CE2-CB 4.3Å; Y29-F44 AromaticContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CD2 3.63Å; Y29-F44 HydrophobicContact CE2-CE2 4.49Å; Y29-F44 HydrophobicContact CE2-CG 4.39Å; Y29-F44 HydrophobicContact CG-CB 4.31Å; Y29-F44 AromaticContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CD2 3.74Å; Y29-F44 HydrophobicContact CG-CE2 4.37Å; Y29-F44 HydrophobicContact CG-CG 4.14Å; R40-F44 WeakPolarHBondContact O-CB 3.37Å; R40-F44 PolarHBondContact O-N 3.2Å; Q41-F44 PolarHBondContact O-N 2.75Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 2.97Å; F44-A47 WeakPolarHBondContact O-CB 3.47Å; F44-A47 PolarHBondContact O-N 2.84Å; F44-A47 VanDerWaalsContact O-N 3.15Å; F44-C48 VanDerWaalsContact CE2-SG 3.54Å; F44-C48 WeakPolarHBondContact CZ-SG 3.19Å; F44-C48 PolarHBondContact O-N 3.34Å; F44-C48 PolarHBondContact O-SG 2.8Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; F44-S53 WeakPolarHBondContact CD2-OG 3.08Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; F44-V95 HydrophobicContact CE1-CG1 3.71Å; F44-V95 HydrophobicContact CZ-CG1 3.75Å; F44-L97 HydrophobicContact CZ-CD1 4.11Å; F44-I114 HydrophobicContact CD1-CG2 4.38Å; F44-I114 HydrophobicContact CE1-CB 3.92Å; F44-I114 HydrophobicContact CE1-CG2 3.47Å; F44-I114 VanDerWaalsContact CE1-CG2 3.47Å; F44-I114 HydrophobicContact CE2-CD1 3.93Å; F44-I114 HydrophobicContact CZ-CB 3.71Å; F44-I114 HydrophobicContact CZ-CD1 3.58Å; F44-I114 HydrophobicContact CZ-CG1 4.17Å; F44-I114 HydrophobicContact CZ-CG2 3.58Å; F44-L116 HydrophobicContact CD1-CD2 4.2Å; F44-L116 HydrophobicContact CE1-CD2 3.96Å; F44-L119 HydrophobicContact CB-CD2 3.83Å; F44-L119 HydrophobicContact CD1-CD2 3.58Å; F44-L119 HydrophobicContact CE1-CD2 4.43Å; F44-L119 HydrophobicContact CG-CD2 3.89Å |
| 45 | Q | 93.7 | Very high | 94.2 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 175.7 | -72.8 | 178.1 | 44.9 | 0 | 0 | 112.4 | Q41 A42 C48 R49 L116 | Q41-Q45 WeakPolarHBondContact O-CG 3.35Å; Q41-Q45 PolarHBondContact O-N 3.31Å; A42-Q45 PolarHBondContact O-N 3Å; Q45-C48 PolarHBondContact O-N 2.92Å; Q45-R49 WeakPolarHBondContact O-CG 3.38Å; Q45-R49 PolarHBondContact O-N 3.43Å; Q45-L116 HydrophobicContact CG-CD2 3.98Å |
| 46 | N | 93.4 | Very high | 94.3 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.1 | -68.9 | -20.8 | 0 | 0 | 0 | 111.6 | A42 R43 F44 C48 R49 D50 | A42-N46 VanDerWaalsContact O-CG 3.29Å; A42-N46 PolarHBondContact O-N 2.84Å; A42-N46 PolarHBondContact O-ND2 2.89Å; R43-N46 PolarHBondContact O-N 3.35Å; F44-N46 VanDerWaalsContact C-N 3.31Å; F44-N46 PolarHBondContact O-N 2.97Å; N46-C48 VanDerWaalsContact C-N 3.32Å; N46-C48 PolarHBondContact O-N 3.43Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 WeakPolarHBondContact O-CA 2.82Å; N46-R49 WeakPolarHBondContact O-CB 3.42Å; N46-R49 PolarHBondContact O-N 2.97Å; N46-R49 PolarHBondContact OD1-NH1 3.28Å; N46-D50 WeakPolarHBondContact O-CB 3.2Å; N46-D50 VanDerWaalsContact O-CG 3.3Å; N46-D50 PolarHBondContact O-N 3.44Å |
| 47 | A | 92.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R43 F44 R49 D50 G51 R52 | R43-A47 VanDerWaalsContact O-CB 3.25Å; R43-A47 WeakPolarHBondContact O-CB 3.26Å; R43-A47 PolarHBondContact O-N 3.38Å; F44-A47 WeakPolarHBondContact O-CB 3.47Å; F44-A47 PolarHBondContact O-N 2.84Å; F44-A47 VanDerWaalsContact O-N 3.15Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 2.85Å; A47-D50 CarbonylContact O-C 3.48Å; A47-D50 PolarHBondContact O-N 3.35Å; A47-G51 PolarHBondContact O-N 3.14Å; A47-R52 CarbonylContact C-O 3.47Å; A47-R52 VanDerWaalsContact C-O 3.22Å; A47-R52 WeakPolarHBondContact CA-O 3.06Å; A47-R52 WeakPolarHBondContact CB-O 3.48Å; A47-R52 PolarHBondContact O-N 2.83Å |
| 48 | C | 92 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 171.2 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | F44 Q45 N46 G51 P81 V86 | F44-C48 VanDerWaalsContact CE2-SG 3.54Å; F44-C48 WeakPolarHBondContact CZ-SG 3.19Å; F44-C48 PolarHBondContact O-N 3.34Å; F44-C48 PolarHBondContact O-SG 2.8Å; F44-C48 VanDerWaalsContact O-SG 3.35Å; Q45-C48 PolarHBondContact O-N 2.92Å; N46-C48 VanDerWaalsContact C-N 3.32Å; N46-C48 PolarHBondContact O-N 3.43Å; C48-G51 PolarHBondContact O-N 2.98Å; C48-P81 WeakPolarHBondContact O-CG 3.03Å; C48-V86 HydrophobicContact CB-CG1 4.24Å |
| 49 | R | 89.2 | Confident | 94.1 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72 | -32.7 | 175.5 | -66 | 177 | -171.4 | 123.7 | 3 | 112.9 | Q45 N46 A47 G51 P81 | Q45-R49 WeakPolarHBondContact O-CG 3.38Å; Q45-R49 PolarHBondContact O-N 3.43Å; N46-R49 CarbonylContact O-C 3.55Å; N46-R49 WeakPolarHBondContact O-CA 2.82Å; N46-R49 WeakPolarHBondContact O-CB 3.42Å; N46-R49 PolarHBondContact O-N 2.97Å; N46-R49 PolarHBondContact OD1-NH1 3.28Å; A47-R49 VanDerWaalsContact C-N 3.33Å; A47-R49 PolarHBondContact O-N 2.85Å; R49-G51 PolarHBondContact O-N 3.45Å; R49-P81 WeakPolarHBondContact O-CD 3.33Å |
| 50 | D | 90.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 51.2 Ų | 51.2 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77 | -7.6 | 175.4 | -68.2 | -22.6 | 0 | 0 | 0 | 112.2 | N46 A47 | N46-D50 WeakPolarHBondContact O-CB 3.2Å; N46-D50 VanDerWaalsContact O-CG 3.3Å; N46-D50 PolarHBondContact O-N 3.44Å; A47-D50 CarbonylContact O-C 3.48Å; A47-D50 PolarHBondContact O-N 3.35Å |
| 51 | G | 91.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 18.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A47 C48 R49 Q67 F68 F69 | A47-G51 PolarHBondContact O-N 3.14Å; C48-G51 PolarHBondContact O-N 2.98Å; R49-G51 PolarHBondContact O-N 3.45Å; G51-Q67 CarbonylContact O-C 3.53Å; G51-Q67 WeakPolarHBondContact O-CA 3.34Å; G51-F68 PolarHBondContact O-N 2.89Å; G51-F69 VanDerWaalsContact O-CE2 3.32Å; G51-F69 WeakPolarHBondContact O-CE2 3.38Å |
| 52 | R | 92.3 | Very high | 93.5 | Very high | 133 Ų | 133 | 50.7 Ų | 50.7 | 50% | 0.502 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 140.3 | -178.1 | -55.4 | -178.6 | -172.7 | 147 | 1.8 | 111.1 | A47 L66 Q67 | A47-R52 CarbonylContact C-O 3.47Å; A47-R52 VanDerWaalsContact C-O 3.22Å; A47-R52 WeakPolarHBondContact CA-O 3.06Å; A47-R52 WeakPolarHBondContact CB-O 3.48Å; A47-R52 PolarHBondContact O-N 2.83Å; R52-L66 WeakPolarHBondContact CA-O 3.13Å; R52-Q67 HydrophobicContact CG-CG 4.44Å |
| 53 | S | 94.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.8 | 174.1 | -164 | 0 | 0 | 0 | 0 | 111.9 | Y29 F44 L66 | Y29-S53 WeakPolarHBondContact CD2-OG 3.37Å; Y29-S53 WeakPolarHBondContact CE2-OG 3.19Å; F44-S53 WeakPolarHBondContact CD2-OG 3.08Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; S53-L66 PolarHBondContact N-O 3.39Å; S53-L66 PolarHBondContact O-N 2.94Å |
| 54 | E | 95.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.3 | 176.1 | -66.3 | 177.8 | -177.8 | 0 | 0 | 109.7 | Y29 T30 L64 | Y29-E54 WeakPolarHBondContact CD2-O 3.3Å; T30-E54 PolarHBondContact N-O 3.23Å; T30-E54 VanDerWaalsContact OG1-C 3.31Å; T30-E54 WeakPolarHBondContact OG1-CB 3.42Å; T30-E54 PolarHBondContact OG1-O 2.84Å; E54-L64 WeakPolarHBondContact CA-O 3.49Å |
| 55 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 164.9 | 179.4 | 67 | 80.5 | 0 | 0 | 0 | 110.5 | I27 K28 F57 N63 L64 L66 I114 | I27-I55 HydrophobicContact CG2-CD1 4.4Å; K28-I55 CarbonylContact O-C 3.53Å; K28-I55 VanDerWaalsContact O-CA 3.22Å; K28-I55 WeakPolarHBondContact O-CA 3.4Å; I55-F57 HydrophobicContact CD1-CD2 4.37Å; I55-F57 HydrophobicContact CD1-CE2 4.4Å; I55-N63 CarbonylContact O-C 3.52Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; I55-L64 HydrophobicContact CD1-CB 3.98Å; I55-L64 HydrophobicContact CD1-CD1 4.26Å; I55-L64 HydrophobicContact CD1-CG 4.35Å; I55-L64 HydrophobicContact CG1-CB 4.35Å; I55-L64 PolarHBondContact N-O 2.76Å; I55-L64 PolarHBondContact O-N 3.37Å; I55-L66 HydrophobicContact CG1-CD1 3.75Å; I55-L66 HydrophobicContact CG1-CD2 4.2Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.1Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å |
| 56 | A | 96.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I27 K28 T30 V58 T62 N63 | I27-A56 CarbonylContact C-O 3.22Å; I27-A56 WeakPolarHBondContact CA-O 3.08Å; K28-A56 PolarHBondContact N-O 2.98Å; K28-A56 PolarHBondContact O-N 2.89Å; T30-A56 HydrophobicContact CG2-CB 3.48Å; T30-A56 VanDerWaalsContact CG2-CB 3.48Å; A56-V58 PolarHBondContact O-N 3.44Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 WeakPolarHBondContact CA-O 3.43Å; A56-N63 WeakPolarHBondContact CB-OD1 3.34Å |
| 57 | F | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.2 | 162.7 | -76.1 | -86.4 | 0 | 0 | 0 | 109.5 | L21 C25 I27 I55 A59 T60 G61 T62 L64 W110 G123 | L21-F57 HydrophobicContact CB-CZ 4.4Å; L21-F57 HydrophobicContact CD1-CD2 4.47Å; L21-F57 HydrophobicContact CD1-CE2 4.38Å; L21-F57 HydrophobicContact CD2-CB 4.01Å; L21-F57 HydrophobicContact CD2-CD1 3.78Å; L21-F57 HydrophobicContact CD2-CD2 3.63Å; L21-F57 HydrophobicContact CD2-CE1 4.07Å; L21-F57 HydrophobicContact CD2-CE2 3.94Å; L21-F57 HydrophobicContact CD2-CG 3.53Å; L21-F57 HydrophobicContact CD2-CZ 4.15Å; C25-F57 HydrophobicContact CB-CD1 3.63Å; C25-F57 HydrophobicContact CB-CE1 3.91Å; I27-F57 HydrophobicContact CG2-CD1 3.55Å; I27-F57 HydrophobicContact CG2-CD2 4.46Å; I27-F57 HydrophobicContact CG2-CE1 3.72Å; I27-F57 HydrophobicContact CG2-CG 3.97Å; I27-F57 HydrophobicContact CG2-CZ 4.26Å; I55-F57 HydrophobicContact CD1-CD2 4.37Å; I55-F57 HydrophobicContact CD1-CE2 4.4Å; F57-A59 PolarHBondContact O-N 3.46Å; F57-T60 WeakPolarHBondContact CB-OG1 3Å; F57-T60 PolarHBondContact O-N 3.06Å; F57-G61 VanDerWaalsContact O-CA 3.29Å; F57-G61 WeakPolarHBondContact O-CA 3.41Å; F57-G61 PolarHBondContact O-N 3.49Å; F57-T62 PolarHBondContact N-O 3.01Å; F57-L64 HydrophobicContact CD2-CD1 4.26Å; F57-L64 HydrophobicContact CE2-CD1 3.66Å; F57-W110 AromaticContact CE2-CD1 3.99Å; F57-W110 AromaticContact CE2-NE1 3.97Å; F57-W110 AromaticContact CZ-CD1 3.82Å; F57-W110 AromaticContact CZ-NE1 3.69Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å |
| 58 | V | 95 | Very high | 93.5 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 39% | 0.394 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -41.6 | -176 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | E26 K28 A56 T60 | E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.16Å; E26-V58 HydrophobicContact CG-CB 4.31Å; E26-V58 HydrophobicContact CG-CG2 3.82Å; E26-V58 PolarHBondContact O-N 2.79Å; K28-V58 HydrophobicContact CB-CG2 4.41Å; K28-V58 HydrophobicContact CD-CG2 3.9Å; K28-V58 HydrophobicContact CG-CG2 3.7Å; A56-V58 PolarHBondContact O-N 3.44Å; V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 3.44Å |
| 59 | A | 90.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 51.2 Ų | 51.2 | 70% | 0.702 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F57 | F57-A59 PolarHBondContact O-N 3.46Š|
| 60 | T | 90.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -14 | -175.2 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | K20 L21 F57 V58 T62 | K20-T60 HydrophobicContact CD-CG2 4.47Å; L21-T60 HydrophobicContact CD2-CG2 4.11Å; F57-T60 WeakPolarHBondContact CB-OG1 3Å; F57-T60 PolarHBondContact O-N 3.06Å; V58-T60 VanDerWaalsContact C-N 3.29Å; V58-T60 PolarHBondContact O-N 3.44Å; T60-T62 WeakPolarHBondContact CB-OG1 3.27Å; T60-T62 PolarHBondContact O-N 2.97Å; T60-T62 VanDerWaalsContact OG1-CB 3.3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.16Å; T60-T62 PolarHBondContact OG1-N 3.43Å; T60-T62 PolarHBondContact OG1-OG1 3.14Å |
| 61 | G | 92.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 49% | 0.485 | 27% | 0.271 | S | S | . | . | trans | 67.7 | 12.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F57 N63 | F57-G61 VanDerWaalsContact O-CA 3.29Å; F57-G61 WeakPolarHBondContact O-CA 3.41Å; F57-G61 PolarHBondContact O-N 3.49Å; G61-N63 PolarHBondContact O-N 3.01Å; G61-N63 PolarHBondContact O-ND2 2.83Å | ||
| 62 | T | 93.9 | Very high | 92.1 | Very high | 28 Ų | 28 | 50 Ų | 50 | 17% | 0.172 | 31% | 0.305 | C | S | . | . | trans | -72 | 115.9 | -178.6 | -55.6 | 0 | 0 | 0 | 0 | 109.8 | F17 L21 A56 F57 T60 L64 | F17-T62 HydrophobicContact CE2-CG2 4.05Å; F17-T62 HydrophobicContact CZ-CG2 4.05Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 WeakPolarHBondContact CA-O 3.43Å; F57-T62 PolarHBondContact N-O 3.01Å; T60-T62 WeakPolarHBondContact CB-OG1 3.27Å; T60-T62 PolarHBondContact O-N 2.97Å; T60-T62 VanDerWaalsContact OG1-CB 3.3Å; T60-T62 WeakPolarHBondContact OG1-CB 3.16Å; T60-T62 PolarHBondContact OG1-N 3.43Å; T60-T62 PolarHBondContact OG1-OG1 3.14Å; T62-L64 HydrophobicContact CG2-CD2 4.2Å; T62-L64 HydrophobicContact CG2-CG 4.5Å | ||
| 63 | N | 95.2 | Very high | 91 | Very high | 102 Ų | 102 | 46 Ų | 46 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.3 | 173.8 | -57 | -81.1 | 0 | 0 | 0 | 110.3 | I55 A56 G61 | I55-N63 CarbonylContact O-C 3.52Å; I55-N63 WeakPolarHBondContact O-CA 3.38Å; A56-N63 WeakPolarHBondContact CB-OD1 3.34Å; G61-N63 PolarHBondContact O-N 3.01Å; G61-N63 PolarHBondContact O-ND2 2.83Å |
| 64 | L | 95.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.052 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.1 | 176 | -63.2 | -177.3 | 0 | 0 | 0 | 110.4 | E54 I55 F57 T62 L66 M101 L103 L125 | E54-L64 WeakPolarHBondContact CA-O 3.49Å; I55-L64 HydrophobicContact CD1-CB 3.98Å; I55-L64 HydrophobicContact CD1-CD1 4.26Å; I55-L64 HydrophobicContact CD1-CG 4.35Å; I55-L64 HydrophobicContact CG1-CB 4.35Å; I55-L64 PolarHBondContact N-O 2.76Å; I55-L64 PolarHBondContact O-N 3.37Å; F57-L64 HydrophobicContact CD2-CD1 4.26Å; F57-L64 HydrophobicContact CE2-CD1 3.66Å; T62-L64 HydrophobicContact CG2-CD2 4.2Å; T62-L64 HydrophobicContact CG2-CG 4.5Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L64-M101 HydrophobicContact CD1-SD 4.39Å; L64-M101 HydrophobicContact CD2-SD 4.44Å; L64-L103 HydrophobicContact CD2-CD1 4.02Å; L64-L103 HydrophobicContact CD2-CD2 4.23Å; L64-L125 HydrophobicContact CD1-CD2 4.39Å |
| 65 | S | 94.7 | Very high | 87.9 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109 | 168 | -55.8 | 0 | 0 | 0 | 0 | 108.3 | ||
| 66 | L | 94.7 | Very high | 86.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.8 | -178.4 | -53.1 | -172 | 0 | 0 | 0 | 110.4 | R52 S53 I55 L64 F68 A99 M101 W110 | R52-L66 WeakPolarHBondContact CA-O 3.13Å; S53-L66 PolarHBondContact N-O 3.39Å; S53-L66 PolarHBondContact O-N 2.94Å; I55-L66 HydrophobicContact CG1-CD1 3.75Å; I55-L66 HydrophobicContact CG1-CD2 4.2Å; I55-L66 HydrophobicContact CG1-CG 3.92Å; I55-L66 HydrophobicContact CG2-CD1 4.1Å; L64-L66 HydrophobicContact CB-CD2 3.97Å; L64-L66 HydrophobicContact CD1-CD2 4.48Å; L66-F68 HydrophobicContact CB-CD1 4.39Å; L66-F68 HydrophobicContact CB-CE1 3.62Å; L66-F68 HydrophobicContact CB-CZ 3.96Å; L66-F68 HydrophobicContact CD1-CE1 3.81Å; L66-F68 HydrophobicContact CD1-CZ 4.17Å; L66-F68 HydrophobicContact CG-CE1 4.4Å; L66-A99 HydrophobicContact CB-CB 3.91Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.41Å; L66-M101 HydrophobicContact CD2-CE 3.39Å; L66-W110 HydrophobicContact CD1-CD2 3.79Å; L66-W110 HydrophobicContact CD1-CE3 3.5Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.15Å; L66-W110 HydrophobicContact CD1-CZ3 3.56Å; L66-W110 HydrophobicContact CD2-CB 4.2Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.32Å; L66-W110 HydrophobicContact CD2-CG 4Å |
| 67 | Q | 93.7 | Very high | 84.3 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 47% | 0.467 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.5 | 167.3 | -62 | -175.2 | 10.9 | 0 | 0 | 108 | G51 R52 F69 A99 | G51-Q67 CarbonylContact O-C 3.53Å; G51-Q67 WeakPolarHBondContact O-CA 3.34Å; R52-Q67 HydrophobicContact CG-CG 4.44Å; Q67-F69 PolarHBondContact O-N 3.16Å; Q67-F69 VanDerWaalsContact O-N 3.15Å; Q67-A99 WeakPolarHBondContact O-CB 3.19Å |
| 68 | F | 93 | Very high | 82.8 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 44% | 0.438 | C | S | . | . | trans | -91.5 | 45.7 | -173.9 | -51.7 | -48.6 | 0 | 0 | 0 | 111 | G51 L66 P81 Y85 V86 L97 A99 | G51-F68 PolarHBondContact O-N 2.89Å; L66-F68 HydrophobicContact CB-CD1 4.39Å; L66-F68 HydrophobicContact CB-CE1 3.62Å; L66-F68 HydrophobicContact CB-CZ 3.96Å; L66-F68 HydrophobicContact CD1-CE1 3.81Å; L66-F68 HydrophobicContact CD1-CZ 4.17Å; L66-F68 HydrophobicContact CG-CE1 4.4Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-P81 WeakPolarHBondContact O-CB 3.39Å; F68-Y85 WeakPolarHBondContact O-CB 3.48Å; F68-V86 HydrophobicContact CB-CG2 3.6Å; F68-V86 HydrophobicContact CD2-CG2 3.76Å; F68-V86 HydrophobicContact CG-CG2 3.73Å; F68-L97 HydrophobicContact CD1-CB 4.49Å; F68-L97 HydrophobicContact CD1-CD2 4.2Å; F68-L97 HydrophobicContact CD2-CD2 4.27Å; F68-L97 HydrophobicContact CE1-CB 3.97Å; F68-L97 HydrophobicContact CE1-CD1 4.07Å; F68-L97 HydrophobicContact CE1-CD2 3.89Å; F68-L97 HydrophobicContact CE1-CG 4.2Å; F68-L97 HydrophobicContact CE2-CD2 4Å; F68-L97 HydrophobicContact CG-CD2 4.4Å; F68-L97 HydrophobicContact CZ-CB 4.48Å; F68-L97 HydrophobicContact CZ-CD1 3.75Å; F68-L97 HydrophobicContact CZ-CD2 3.8Å; F68-L97 HydrophobicContact CZ-CG 4.23Å; F68-A99 HydrophobicContact CD1-CB 4.11Å; F68-A99 HydrophobicContact CE1-CB 4.32Å | ||
| 69 | F | 91 | Very high | 81.7 | Confident | 9 Ų | 9 | 80.8 Ų | 80.8 | 4% | 0.039 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -131.1 | 159.1 | -178 | -63.3 | -76.4 | 0 | 0 | 0 | 110 | G51 Q67 W73 Q79 P81 P100 | G51-F69 VanDerWaalsContact O-CE2 3.32Å; G51-F69 WeakPolarHBondContact O-CE2 3.38Å; Q67-F69 PolarHBondContact O-N 3.16Å; Q67-F69 VanDerWaalsContact O-N 3.15Å; F69-W73 HydrophobicContact CB-CB 3.88Å; F69-W73 HydrophobicContact CB-CD2 3.8Å; F69-W73 HydrophobicContact CB-CE3 3.65Å; F69-W73 HydrophobicContact CB-CG 3.94Å; F69-W73 HydrophobicContact CB-CZ3 4.38Å; F69-W73 AromaticContact CD1-CD2 3.97Å; F69-W73 HydrophobicContact CD1-CD2 3.97Å; F69-W73 AromaticContact CD1-CE2 4Å; F69-W73 HydrophobicContact CD1-CE3 4.18Å; F69-W73 HydrophobicContact CD1-CG 4.41Å; F69-W73 HydrophobicContact CD1-CH2 4.39Å; F69-W73 HydrophobicContact CD1-CZ2 4.21Å; F69-W73 HydrophobicContact CD1-CZ3 4.38Å; F69-W73 HydrophobicContact CD2-CD2 4.1Å; F69-W73 AromaticContact CD2-CE3 3.44Å; F69-W73 HydrophobicContact CD2-CE3 3.44Å; F69-W73 VanDerWaalsContact CD2-CE3 3.44Å; F69-W73 AromaticContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CZ2 4.38Å; F69-W73 AromaticContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CE1-CH2 4.18Å; F69-W73 HydrophobicContact CE1-CZ2 4.03Å; F69-W73 HydrophobicContact CE2-CE3 4.09Å; F69-W73 AromaticContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CH2 3.5Å; F69-W73 VanDerWaalsContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CZ2 4.18Å; F69-W73 AromaticContact CE2-CZ3 3.46Å; F69-W73 HydrophobicContact CE2-CZ3 3.46Å; F69-W73 VanDerWaalsContact CE2-CZ3 3.46Å; F69-W73 AromaticContact CG-CD2 3.68Å; F69-W73 HydrophobicContact CG-CD2 3.68Å; F69-W73 AromaticContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CE3 3.48Å; F69-W73 VanDerWaalsContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CG 4.24Å; F69-W73 HydrophobicContact CG-CH2 4.19Å; F69-W73 HydrophobicContact CG-CZ2 4.38Å; F69-W73 AromaticContact CG-CZ3 3.76Å; F69-W73 HydrophobicContact CG-CZ3 3.76Å; F69-W73 AromaticContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CZ2 4Å; F69-W73 HydrophobicContact CZ-CZ3 4.13Å; F69-Q79 HydrophobicContact CE1-CB 4.31Å; F69-Q79 WeakPolarHBondContact CE1-O 3.19Å; F69-Q79 WeakPolarHBondContact CZ-O 3.48Å; F69-P81 HydrophobicContact CE1-CB 4.23Å; F69-P100 VanDerWaalsContact O-CD 3.27Å; F69-P100 WeakPolarHBondContact O-CD 3.3Å; F69-P100 WeakPolarHBondContact O-CG 3.29Å |
| 70 | P | 85.8 | Confident | 81.3 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | trans | -54.4 | 147 | 169.3 | -21.8 | 31.6 | 0 | 0 | 0 | 111.3 | S72 W73 Y85 | P70-S72 PolarHBondContact O-N 3.45Å; P70-S72 VanDerWaalsContact O-N 3.12Å; P70-W73 WeakPolarHBondContact O-CB 3.27Å; P70-W73 PolarHBondContact O-N 3.37Å; P70-Y85 WeakPolarHBondContact CA-OH 3.26Å; P70-Y85 HydrophobicContact CG-CE2 3.91Å | ||
| 71 | A | 79.8 | Confident | 81.2 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W73 P100 | A71-W73 PolarHBondContact O-N 3.13Å; A71-P100 HydrophobicContact CB-CB 4.32Å; A71-P100 HydrophobicContact CB-CG 4.36Å |
| 72 | S | 75.1 | Confident | 81 | Confident | 104 Ų | 104 | 80.7 Ų | 80.7 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8 | 176.7 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | P70 Q74 | P70-S72 PolarHBondContact O-N 3.45Å; P70-S72 VanDerWaalsContact O-N 3.12Å; S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 VanDerWaalsContact O-N 3.15Å |
| 73 | W | 70.4 | Confident | 80.8 | Confident | 48 Ų | 48 | 86 Ų | 86 | 18% | 0.182 | 45% | 0.445 | C | S | . | . | trans | -73.7 | 108.6 | -176.7 | -170 | 72.9 | 0 | 0 | 0 | 111 | F69 P70 A71 G75 Q77 | F69-W73 HydrophobicContact CB-CB 3.88Å; F69-W73 HydrophobicContact CB-CD2 3.8Å; F69-W73 HydrophobicContact CB-CE3 3.65Å; F69-W73 HydrophobicContact CB-CG 3.94Å; F69-W73 HydrophobicContact CB-CZ3 4.38Å; F69-W73 AromaticContact CD1-CD2 3.97Å; F69-W73 HydrophobicContact CD1-CD2 3.97Å; F69-W73 AromaticContact CD1-CE2 4Å; F69-W73 HydrophobicContact CD1-CE3 4.18Å; F69-W73 HydrophobicContact CD1-CG 4.41Å; F69-W73 HydrophobicContact CD1-CH2 4.39Å; F69-W73 HydrophobicContact CD1-CZ2 4.21Å; F69-W73 HydrophobicContact CD1-CZ3 4.38Å; F69-W73 HydrophobicContact CD2-CD2 4.1Å; F69-W73 AromaticContact CD2-CE3 3.44Å; F69-W73 HydrophobicContact CD2-CE3 3.44Å; F69-W73 VanDerWaalsContact CD2-CE3 3.44Å; F69-W73 AromaticContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CH2 3.76Å; F69-W73 HydrophobicContact CD2-CZ2 4.38Å; F69-W73 AromaticContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CD2-CZ3 3.25Å; F69-W73 HydrophobicContact CE1-CH2 4.18Å; F69-W73 HydrophobicContact CE1-CZ2 4.03Å; F69-W73 HydrophobicContact CE2-CE3 4.09Å; F69-W73 AromaticContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CH2 3.5Å; F69-W73 VanDerWaalsContact CE2-CH2 3.5Å; F69-W73 HydrophobicContact CE2-CZ2 4.18Å; F69-W73 AromaticContact CE2-CZ3 3.46Å; F69-W73 HydrophobicContact CE2-CZ3 3.46Å; F69-W73 VanDerWaalsContact CE2-CZ3 3.46Å; F69-W73 AromaticContact CG-CD2 3.68Å; F69-W73 HydrophobicContact CG-CD2 3.68Å; F69-W73 AromaticContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CE3 3.48Å; F69-W73 VanDerWaalsContact CG-CE3 3.48Å; F69-W73 HydrophobicContact CG-CG 4.24Å; F69-W73 HydrophobicContact CG-CH2 4.19Å; F69-W73 HydrophobicContact CG-CZ2 4.38Å; F69-W73 AromaticContact CG-CZ3 3.76Å; F69-W73 HydrophobicContact CG-CZ3 3.76Å; F69-W73 AromaticContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CH2 3.73Å; F69-W73 HydrophobicContact CZ-CZ2 4Å; F69-W73 HydrophobicContact CZ-CZ3 4.13Å; P70-W73 WeakPolarHBondContact O-CB 3.27Å; P70-W73 PolarHBondContact O-N 3.37Å; A71-W73 PolarHBondContact O-N 3.13Å; W73-G75 WeakPolarHBondContact CH2-O 3.36Å; W73-G75 WeakPolarHBondContact CZ2-O 3.44Å; W73-Q77 WeakPolarHBondContact CZ2-O 3.11Å | ||
| 74 | Q | 66.3 | Low | 80.7 | Confident | 179 Ų | 179 | 86.5 Ų | 86.5 | 84% | 0.836 | 44% | 0.444 | S | S | * | . | trans | -106.8 | 4.2 | 172 | -62.5 | -177.5 | 2.4 | 0 | 0 | 112.2 | S72 | S72-Q74 PolarHBondContact O-N 3.34Å; S72-Q74 VanDerWaalsContact O-N 3.15Å | ||
| 75 | G | 58.5 | Low | 80.6 | Confident | 32 Ų | 32 | 87.2 Ų | 87.2 | 33% | 0.33 | 45% | 0.447 | S | S | . | . | trans | -73.9 | 133.4 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114 | W73 Q77 | W73-G75 WeakPolarHBondContact CH2-O 3.36Å; W73-G75 WeakPolarHBondContact CZ2-O 3.44Å; G75-Q77 VanDerWaalsContact C-N 3.27Å | ||
| 76 | E | 58.7 | Low | 80.6 | Confident | 194 Ų | 194 | 83.9 Ų | 83.9 | 91% | 0.907 | 42% | 0.422 | S | S | * | . | trans | -73 | -19.4 | 166.8 | -74.9 | -177.9 | 150.8 | 0 | 0 | 113 | R78 | E76-R78 PolarHBondContact O-N 3.25Š| ||
| 77 | Q | 59.5 | Low | 80.6 | Confident | 152 Ų | 152 | 85.1 Ų | 85.1 | 71% | 0.71 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -66 | 129.5 | -176.8 | -71.1 | -140.4 | -14 | 0 | 0 | 111 | W73 G75 Q79 | W73-Q77 WeakPolarHBondContact CZ2-O 3.11Å; G75-Q77 VanDerWaalsContact C-N 3.27Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.16Å |
| 78 | R | 63.7 | Low | 80.5 | Confident | 245 Ų | 245 | 84 Ų | 84 | 93% | 0.925 | 43% | 0.426 | S | S | * | . | trans | -60.4 | 92.1 | 169.9 | -75.8 | -174.4 | -179.4 | 179.8 | -0.7 | 109.1 | E76 | E76-R78 PolarHBondContact O-N 3.25Š| ||
| 79 | Q | 73.4 | Confident | 80.3 | Confident | 112 Ų | 112 | 90.9 Ų | 90.9 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 140.4 | 165.1 | -78.1 | -173.3 | 26 | 0 | 0 | 108.9 | F69 Q77 | F69-Q79 HydrophobicContact CE1-CB 4.31Å; F69-Q79 WeakPolarHBondContact CE1-O 3.19Å; F69-Q79 WeakPolarHBondContact CZ-O 3.48Å; Q77-Q79 VanDerWaalsContact C-N 3.28Å; Q77-Q79 PolarHBondContact O-N 3.16Å |
| 80 | T | 82.2 | Confident | 80.4 | Confident | 118 Ų | 118 | 98.4 Ų | 98.4 | 72% | 0.724 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 131 | 168.6 | -48.9 | 0 | 0 | 0 | 0 | 108 | ||
| 81 | P | 87.3 | Confident | 80.7 | Confident | 13 Ų | 13 | 99.4 Ų | 99.4 | 8% | 0.084 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 144.7 | 175.9 | 28 | -35.7 | 0 | 0 | 0 | 110 | C48 R49 F68 F69 V86 | C48-P81 WeakPolarHBondContact O-CG 3.03Å; R49-P81 WeakPolarHBondContact O-CD 3.33Å; F68-P81 HydrophobicContact CB-CB 3.95Å; F68-P81 WeakPolarHBondContact O-CB 3.39Å; F69-P81 HydrophobicContact CE1-CB 4.23Å; P81-V86 HydrophobicContact CB-CG2 3.79Å; P81-V86 HydrophobicContact CG-CB 4.22Å; P81-V86 HydrophobicContact CG-CG2 3.6Å |
| 82 | S | 89 | Confident | 81.3 | Confident | 59 Ų | 59 | 101.8 Ų | 101.8 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 161.3 | 178.1 | 81 | 0 | 0 | 0 | 0 | 110.7 | E84 Y85 V86 | S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 3.17Å; S82-Y85 PolarHBondContact O-N 3.43Å; S82-Y85 VanDerWaalsContact OG-CD2 3.26Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.49Å; S82-V86 PolarHBondContact O-N 2.89Å |
| 83 | R | 90.3 | Very high | 82.2 | Confident | 138 Ų | 138 | 98.4 Ų | 98.4 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.4 | 177.1 | -173.2 | 178.5 | 174.1 | 157.6 | 8.4 | 113.4 | Y85 V86 D87 E89 | R83-Y85 PolarHBondContact O-N 3.04Å; R83-V86 WeakPolarHBondContact CA-O 3.21Å; R83-V86 CarbonylContact O-C 3.56Å; R83-D87 HydrophobicContact CG-CB 4.24Å; R83-D87 IonicContact CZ-OD2 2.68Å; R83-D87 IonicContact NE-OD1 2.67Å; R83-D87 IonicContact NE-OD2 3.5Å; R83-D87 PolarHBondContact NE-OD2 3.26Å; R83-D87 VanDerWaalsContact NE-OD2 3.09Å; R83-D87 IonicContact NH2-OD1 3.08Å; R83-D87 IonicContact NH2-OD2 2.98Å; R83-E89 IonicContact CZ-OE2 2.62Å; R83-E89 IonicContact NH1-OE2 2.68Å; R83-E89 PolarHBondContact NH1-OE2 3.33Å; R83-E89 IonicContact NH2-OE2 3.31Å; R83-E89 PolarHBondContact NH2-OE2 2.89Å |
| 84 | E | 92 | Very high | 83.4 | Confident | 113 Ų | 113 | 98 Ų | 98 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -33.2 | 175 | -167.6 | -163.9 | 156.2 | 0 | 0 | 112.3 | S82 K98 | S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 3.17Å; E84-K98 IonicContact OE1-NZ 2.72Å; E84-K98 PolarHBondContact OE1-NZ 3.35Å |
| 85 | Y | 93.3 | Very high | 84.8 | Confident | 26 Ų | 26 | 89.5 Ų | 89.5 | 10% | 0.102 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -28.1 | -179.2 | -59.5 | -87 | 0 | 0 | 0 | 113.1 | F68 P70 S82 R83 L97 K98 P100 | F68-Y85 WeakPolarHBondContact O-CB 3.48Å; P70-Y85 WeakPolarHBondContact CA-OH 3.26Å; P70-Y85 HydrophobicContact CG-CE2 3.91Å; S82-Y85 PolarHBondContact O-N 3.43Å; S82-Y85 VanDerWaalsContact OG-CD2 3.26Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.49Å; R83-Y85 PolarHBondContact O-N 3.04Å; Y85-L97 CarbonylContact O-C 3.49Å; Y85-L97 VanDerWaalsContact O-CA 3.28Å; Y85-L97 WeakPolarHBondContact O-CA 3.25Å; Y85-K98 HydrophobicContact CD1-CB 4.46Å; Y85-K98 HydrophobicContact CD1-CG 4.43Å; Y85-K98 WeakPolarHBondContact CD1-O 3.4Å; Y85-K98 PolarHBondContact O-N 3.12Å; Y85-P100 HydrophobicContact CE1-CG 4.04Å |
| 86 | V | 94.5 | Very high | 86.6 | Confident | 17 Ų | 17 | 89.7 Ų | 89.7 | 10% | 0.103 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 104.9 | 179 | -175.8 | 0 | 0 | 0 | 0 | 110 | C48 F68 P81 S82 R83 L88 V95 L97 | C48-V86 HydrophobicContact CB-CG1 4.24Å; F68-V86 HydrophobicContact CB-CG2 3.6Å; F68-V86 HydrophobicContact CD2-CG2 3.76Å; F68-V86 HydrophobicContact CG-CG2 3.73Å; P81-V86 HydrophobicContact CB-CG2 3.79Å; P81-V86 HydrophobicContact CG-CB 4.22Å; P81-V86 HydrophobicContact CG-CG2 3.6Å; S82-V86 PolarHBondContact O-N 2.89Å; R83-V86 WeakPolarHBondContact CA-O 3.21Å; R83-V86 CarbonylContact O-C 3.56Å; V86-L88 HydrophobicContact CG1-CG 4.45Å; V86-V95 HydrophobicContact CG1-CG2 3.81Å; V86-L97 HydrophobicContact CB-CD2 4.17Å; V86-L97 HydrophobicContact CG1-CD2 3.94Å; V86-L97 HydrophobicContact CG2-CD2 3.78Å |
| 87 | D | 94.4 | Very high | 88.4 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110 | 176.2 | -164.8 | -28.1 | 0 | 0 | 0 | 110.8 | R83 E89 R90 Y96 | R83-D87 HydrophobicContact CG-CB 4.24Å; R83-D87 IonicContact CZ-OD2 2.68Å; R83-D87 IonicContact NE-OD1 2.67Å; R83-D87 IonicContact NE-OD2 3.5Å; R83-D87 PolarHBondContact NE-OD2 3.26Å; R83-D87 VanDerWaalsContact NE-OD2 3.09Å; R83-D87 IonicContact NH2-OD1 3.08Å; R83-D87 IonicContact NH2-OD2 2.98Å; D87-E89 WeakPolarHBondContact OD1-CA 3.22Å; D87-E89 PolarHBondContact OD1-N 2.81Å; D87-R90 PolarHBondContact OD1-N 2.91Å; D87-Y96 PolarHBondContact N-O 3.39Å; D87-Y96 PolarHBondContact O-N 3.15Å |
| 88 | L | 91.4 | Very high | 90.2 | Very high | 76 Ų | 76 | 75.6 Ų | 75.6 | 40% | 0.398 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -96.2 | -9.5 | 176.3 | -71 | 161 | 0 | 0 | 0 | 113 | V86 V95 L116 | V86-L88 HydrophobicContact CG1-CG 4.45Å; L88-V95 HydrophobicContact CD2-CB 3.68Å; L88-V95 HydrophobicContact CD2-CG2 3.61Å; L88-V95 HydrophobicContact CG-CG2 4Å; L88-L116 HydrophobicContact CD2-CD1 4.07Å; L88-L116 HydrophobicContact CD2-CD2 4.31Å |
| 89 | E | 90.1 | Very high | 91.7 | Very high | 145 Ų | 145 | 63.9 Ų | 63.9 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -97.5 | -21.7 | -173.6 | -69.4 | -178.1 | -172 | 0 | 0 | 112.3 | R83 D87 E91 | R83-E89 IonicContact CZ-OE2 2.62Å; R83-E89 IonicContact NH1-OE2 2.68Å; R83-E89 PolarHBondContact NH1-OE2 3.33Å; R83-E89 IonicContact NH2-OE2 3.31Å; R83-E89 PolarHBondContact NH2-OE2 2.89Å; D87-E89 WeakPolarHBondContact OD1-CA 3.22Å; D87-E89 PolarHBondContact OD1-N 2.81Å; E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.18Å |
| 90 | R | 91.9 | Very high | 92.7 | Very high | 167 Ų | 167 | 59.4 Ų | 59.4 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -57.7 | -40.4 | -178 | 178.4 | 171.2 | 173.4 | -171.8 | 0.1 | 113.4 | D87 Y96 | D87-R90 PolarHBondContact OD1-N 2.91Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.01Å; R90-Y96 HydrophobicContact CB-CG 4.49Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.68Å; R90-Y96 HydrophobicContact CG-CG 4.43Å |
| 91 | E | 92.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -150.1 | 129.1 | 177.5 | -165.5 | 179.7 | 150.7 | 0 | 0 | 110.7 | E89 G93 K94 Y96 | E89-E91 VanDerWaalsContact C-N 3.31Å; E89-E91 PolarHBondContact O-N 3.18Å; E91-G93 PolarHBondContact O-N 3.15Å; E91-K94 HydrophobicContact CB-CB 4.38Å; E91-K94 HydrophobicContact CG-CD 4.31Å; E91-K94 PolarHBondContact O-N 3.36Å; E91-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 VanDerWaalsContact O-O 3.14Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 WeakPolarHBondContact OE1-CE 3.2Å; E91-K94 IonicContact OE1-NZ 3.34Å; E91-K94 PolarHBondContact OE1-NZ 3.44Å; E91-K94 IonicContact OE2-NZ 3.51Å; E91-Y96 HydrophobicContact CB-CE2 3.78Å; E91-Y96 PolarHBondContact OE2-OH 2.93Å |
| 92 | A | 91.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 81% | 0.81 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 131.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K94 | A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.43Å |
| 93 | G | 93.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | -3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E91 L116 | E91-G93 PolarHBondContact O-N 3.15Å; G93-L116 WeakPolarHBondContact O-CB 3.42Å; G93-L116 WeakPolarHBondContact O-CG 3.31Å; G93-L116 PolarHBondContact O-N 2.94Å |
| 94 | K | 96.5 | Very high | 93.5 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 155.2 | 175.7 | -64.1 | 179.9 | -175.1 | 167.5 | 0 | 111.3 | E91 A92 Y96 W113 I114 | E91-K94 HydrophobicContact CB-CB 4.38Å; E91-K94 HydrophobicContact CG-CD 4.31Å; E91-K94 PolarHBondContact O-N 3.36Å; E91-K94 VanDerWaalsContact O-N 3.11Å; E91-K94 VanDerWaalsContact O-O 3.14Å; E91-K94 WeakPolarHBondContact OE1-CD 3.39Å; E91-K94 WeakPolarHBondContact OE1-CE 3.2Å; E91-K94 IonicContact OE1-NZ 3.34Å; E91-K94 PolarHBondContact OE1-NZ 3.44Å; E91-K94 IonicContact OE2-NZ 3.51Å; A92-K94 VanDerWaalsContact C-N 3.26Å; A92-K94 PolarHBondContact O-N 3.43Å; K94-Y96 HydrophobicContact CB-CE2 4.46Å; K94-W113 HydrophobicContact CD-CD2 4.08Å; K94-W113 HydrophobicContact CD-CE3 3.57Å; K94-W113 HydrophobicContact CD-CZ3 3.89Å; K94-W113 HydrophobicContact CG-CE3 4.1Å; K94-W113 HydrophobicContact CG-CZ3 4.45Å; K94-I114 CarbonylContact C-O 3.54Å; K94-I114 WeakPolarHBondContact CA-O 3.44Å |
| 95 | V | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125 | 169.2 | 62.6 | 0 | 0 | 0 | 0 | 108.9 | F44 V86 L88 L97 W113 I114 L116 | F44-V95 HydrophobicContact CE1-CG1 3.71Å; F44-V95 HydrophobicContact CZ-CG1 3.75Å; V86-V95 HydrophobicContact CG1-CG2 3.81Å; L88-V95 HydrophobicContact CD2-CB 3.68Å; L88-V95 HydrophobicContact CD2-CG2 3.61Å; L88-V95 HydrophobicContact CG-CG2 4Å; V95-L97 HydrophobicContact CG1-CD1 3.98Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.06Å; V95-L97 HydrophobicContact CG2-CD2 3.61Å; V95-L97 HydrophobicContact CG2-CG 3.9Å; V95-W113 CarbonylContact O-C 3.58Å; V95-W113 WeakPolarHBondContact O-CA 3.41Å; V95-I114 HydrophobicContact CG1-CB 4.05Å; V95-I114 PolarHBondContact N-O 3.22Å; V95-I114 PolarHBondContact O-N 3.26Å; V95-L116 HydrophobicContact CB-CD2 4.03Å; V95-L116 HydrophobicContact CG1-CD2 3.85Å |
| 96 | Y | 96.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 46.5 Ų | 46.5 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130.9 | 171 | -72.1 | -100.7 | 0 | 0 | 0 | 108.7 | D87 R90 E91 K94 G112 W113 | D87-Y96 PolarHBondContact N-O 3.39Å; D87-Y96 PolarHBondContact O-N 3.15Å; R90-Y96 HydrophobicContact CB-CD2 3.75Å; R90-Y96 HydrophobicContact CB-CE2 4.01Å; R90-Y96 HydrophobicContact CB-CG 4.49Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.68Å; R90-Y96 HydrophobicContact CG-CG 4.43Å; E91-Y96 HydrophobicContact CB-CE2 3.78Å; E91-Y96 PolarHBondContact OE2-OH 2.93Å; K94-Y96 HydrophobicContact CB-CE2 4.46Å; Y96-G112 WeakPolarHBondContact CA-O 3.13Å; Y96-W113 HydrophobicContact CD1-CB 3.71Å; Y96-W113 HydrophobicContact CD1-CG 4.47Å; Y96-W113 HydrophobicContact CD2-CB 4.28Å; Y96-W113 HydrophobicContact CE1-CB 3.75Å; Y96-W113 AromaticContact CE1-CD1 3.92Å; Y96-W113 HydrophobicContact CE1-CG 4.06Å; Y96-W113 HydrophobicContact CE2-CB 4.3Å; Y96-W113 HydrophobicContact CG-CB 4Å |
| 97 | L | 96.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.2 | -167.8 | -67 | 173.1 | 0 | 0 | 0 | 109.2 | F44 F68 Y85 V86 V95 W110 K111 G112 I114 | F44-L97 HydrophobicContact CZ-CD1 4.11Å; F68-L97 HydrophobicContact CD1-CB 4.49Å; F68-L97 HydrophobicContact CD1-CD2 4.2Å; F68-L97 HydrophobicContact CD2-CD2 4.27Å; F68-L97 HydrophobicContact CE1-CB 3.97Å; F68-L97 HydrophobicContact CE1-CD1 4.07Å; F68-L97 HydrophobicContact CE1-CD2 3.89Å; F68-L97 HydrophobicContact CE1-CG 4.2Å; F68-L97 HydrophobicContact CE2-CD2 4Å; F68-L97 HydrophobicContact CG-CD2 4.4Å; F68-L97 HydrophobicContact CZ-CB 4.48Å; F68-L97 HydrophobicContact CZ-CD1 3.75Å; F68-L97 HydrophobicContact CZ-CD2 3.8Å; F68-L97 HydrophobicContact CZ-CG 4.23Å; Y85-L97 CarbonylContact O-C 3.49Å; Y85-L97 VanDerWaalsContact O-CA 3.28Å; Y85-L97 WeakPolarHBondContact O-CA 3.25Å; V86-L97 HydrophobicContact CB-CD2 4.17Å; V86-L97 HydrophobicContact CG1-CD2 3.94Å; V86-L97 HydrophobicContact CG2-CD2 3.78Å; V95-L97 HydrophobicContact CG1-CD1 3.98Å; V95-L97 HydrophobicContact CG1-CD2 4.45Å; V95-L97 HydrophobicContact CG1-CG 4.06Å; V95-L97 HydrophobicContact CG2-CD2 3.61Å; V95-L97 HydrophobicContact CG2-CG 3.9Å; L97-W110 HydrophobicContact CB-CH2 3.98Å; L97-W110 HydrophobicContact CB-CZ3 3.43Å; L97-W110 VanDerWaalsContact CB-CZ3 3.43Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 WeakPolarHBondContact O-CZ3 3.39Å; L97-K111 WeakPolarHBondContact O-CA 3.37Å; L97-G112 PolarHBondContact N-O 3.15Å; L97-G112 PolarHBondContact O-N 2.79Å; L97-I114 HydrophobicContact CD1-CD1 4.01Å; L97-I114 HydrophobicContact CD1-CG1 4.45Å |
| 98 | K | 96.1 | Very high | 93.5 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.187 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.7 | 173.9 | 179.1 | -174.6 | 176.4 | -172.3 | 0 | 108.1 | E84 Y85 I109 W110 K111 | E84-K98 IonicContact OE1-NZ 2.72Å; E84-K98 PolarHBondContact OE1-NZ 3.35Å; Y85-K98 HydrophobicContact CD1-CB 4.46Å; Y85-K98 HydrophobicContact CD1-CG 4.43Å; Y85-K98 WeakPolarHBondContact CD1-O 3.4Å; Y85-K98 PolarHBondContact O-N 3.12Å; K98-I109 HydrophobicContact CD-CG2 4.22Å; K98-I109 HydrophobicContact CG-CG2 3.51Å; K98-W110 CarbonylContact C-O 3.59Å; K98-W110 VanDerWaalsContact CA-O 3.32Å; K98-W110 WeakPolarHBondContact CA-O 3.22Å; K98-K111 HydrophobicContact CB-CG 4.47Å; K98-K111 HydrophobicContact CG-CG 4.15Å |
| 99 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 108.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L66 Q67 F68 M101 W110 | L66-A99 HydrophobicContact CB-CB 3.91Å; L66-A99 HydrophobicContact CD2-CB 4.11Å; L66-A99 HydrophobicContact CG-CB 4.41Å; Q67-A99 WeakPolarHBondContact O-CB 3.19Å; F68-A99 HydrophobicContact CD1-CB 4.11Å; F68-A99 HydrophobicContact CE1-CB 4.32Å; A99-M101 HydrophobicContact CB-CE 4.42Å; A99-W110 HydrophobicContact CB-CB 4.42Å; A99-W110 HydrophobicContact CB-CE3 4.36Å; A99-W110 PolarHBondContact N-O 3.5Å; A99-W110 PolarHBondContact O-N 3.33Å |
| 100 | P | 94.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 135.7 | 175.6 | 32.5 | -33.4 | 0 | 0 | 0 | 110.5 | F69 A71 Y85 I109 R131 | F69-P100 VanDerWaalsContact O-CD 3.27Å; F69-P100 WeakPolarHBondContact O-CD 3.3Å; F69-P100 WeakPolarHBondContact O-CG 3.29Å; A71-P100 HydrophobicContact CB-CB 4.32Å; A71-P100 HydrophobicContact CB-CG 4.36Å; Y85-P100 HydrophobicContact CE1-CG 4.04Å; P100-I109 HydrophobicContact CB-CG1 4.33Å; P100-R131 VanDerWaalsContact C-NH1 3.33Å |
| 101 | M | 92.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 167.5 | 178.5 | 59.2 | 179.4 | 66.3 | 0 | 0 | 113.3 | L64 L66 A99 V108 R131 | L64-M101 HydrophobicContact CD1-SD 4.39Å; L64-M101 HydrophobicContact CD2-SD 4.44Å; L66-M101 HydrophobicContact CD2-CE 3.39Å; A99-M101 HydrophobicContact CB-CE 4.42Å; M101-V108 HydrophobicContact CG-CG2 3.77Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.79Å; M101-R131 PolarHBondContact O-NH1 2.63Å |
| 102 | I | 91.9 | Very high | 94.5 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 113.8 | 168 | -63.9 | 166 | 0 | 0 | 0 | 106.9 | R3 V4 V106 E135 | R3-I102 HydrophobicContact CB-CD1 4.09Å; R3-I102 WeakPolarHBondContact O-CG2 3.39Å; V4-I102 HydrophobicContact CG1-CD1 4.05Å; V4-I102 HydrophobicContact CG1-CG1 4.36Å; V4-I102 HydrophobicContact CG1-CG2 4.13Å; I102-V106 CarbonylContact C-O 3.6Å; I102-V106 WeakPolarHBondContact CA-O 3.32Å; I102-E135 HydrophobicContact CD1-CG 4.32Å |
| 103 | L | 91.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 25.2 Ų | 25.2 | 13% | 0.131 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125 | 179.7 | -173.7 | 62.9 | 0 | 0 | 0 | 108.5 | F17 F18 L21 L64 G105 V106 V108 L125 | F17-L103 HydrophobicContact CE1-CD2 3.6Å; F17-L103 HydrophobicContact CE1-CG 4.02Å; F17-L103 HydrophobicContact CZ-CD2 3.93Å; F17-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 HydrophobicContact CE1-CB 4.26Å; F18-L103 HydrophobicContact CE1-CD2 4.09Å; F18-L103 HydrophobicContact CE1-CG 4.27Å; F18-L103 WeakPolarHBondContact CZ-O 3.4Å; L21-L103 HydrophobicContact CD1-CD2 4.5Å; L64-L103 HydrophobicContact CD2-CD1 4.02Å; L64-L103 HydrophobicContact CD2-CD2 4.23Å; L103-G105 PolarHBondContact O-N 3.01Å; L103-V106 PolarHBondContact N-O 3.11Å; L103-V106 PolarHBondContact O-N 3.01Å; L103-V108 HydrophobicContact CB-CG2 3.94Å; L103-L125 HydrophobicContact CD2-CD1 3.63Å |
| 104 | N | 89.8 | Confident | 94.9 | Very high | 85 Ų | 85 | 23.7 Ų | 23.7 | 46% | 0.455 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | 32.1 | -176.9 | -62.1 | -14.8 | 0 | 0 | 0 | 114.2 | K11 F18 | K11-N104 PolarHBondContact NZ-O 3.01Å; F18-N104 HydrophobicContact CE2-CB 4.44Å; F18-N104 HydrophobicContact CZ-CB 4.11Å |
| 105 | G | 91.3 | Very high | 95 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 10% | 0.103 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 12.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R3 V4 V5 L103 | R3-G105 WeakPolarHBondContact O-CA 3.19Å; V4-G105 CarbonylContact C-O 3.54Å; V4-G105 WeakPolarHBondContact CA-O 3.48Å; V4-G105 WeakPolarHBondContact CB-O 3.39Å; V5-G105 WeakPolarHBondContact CG2-O 3.36Å; V5-G105 PolarHBondContact N-O 3.48Å; L103-G105 PolarHBondContact O-N 3.01Å |
| 106 | V | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.6 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V5 Q8 K11 F12 F18 I102 L103 V108 F127 | V5-V106 HydrophobicContact CG2-CG2 4.25Å; Q8-V106 HydrophobicContact CB-CG1 4.28Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.75Å; K11-V106 HydrophobicContact CG-CG2 3.94Å; F12-V106 HydrophobicContact CB-CG1 4Å; F12-V106 HydrophobicContact CD2-CG1 4.13Å; F18-V106 HydrophobicContact CD2-CG2 4.48Å; F18-V106 HydrophobicContact CE1-CB 4.16Å; F18-V106 HydrophobicContact CE1-CG2 4.49Å; F18-V106 HydrophobicContact CE2-CB 4.16Å; F18-V106 HydrophobicContact CE2-CG2 3.61Å; F18-V106 HydrophobicContact CZ-CB 3.67Å; F18-V106 HydrophobicContact CZ-CG1 4.37Å; F18-V106 HydrophobicContact CZ-CG2 3.62Å; I102-V106 CarbonylContact C-O 3.6Å; I102-V106 WeakPolarHBondContact CA-O 3.32Å; L103-V106 PolarHBondContact N-O 3.11Å; L103-V106 PolarHBondContact O-N 3.01Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 3.14Å; V106-F127 HydrophobicContact CG1-CD2 3.94Å; V106-F127 HydrophobicContact CG1-CE2 3.96Å |
| 107 | C | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 116.7 | 170.2 | -65.7 | 0 | 0 | 0 | 0 | 109.8 | Q8 F127 D128 R131 A132 | Q8-C107 PolarHBondContact OE1-SG 3.33Å; C107-F127 WeakPolarHBondContact O-CD2 3.32Å; C107-D128 HydrophobicContact CB-CB 4.12Å; C107-D128 PolarHBondContact O-N 3.18Å; C107-D128 VanDerWaalsContact O-N 3.08Å; C107-R131 HydrophobicContact CB-CB 4.23Å; C107-R131 HydrophobicContact CB-CG 4.17Å; C107-A132 HydrophobicContact CB-CB 4.05Å |
| 108 | V | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.9 | 179.8 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | F12 F18 M101 L103 V106 L125 E126 | F12-V108 HydrophobicContact CD2-CG1 3.75Å; F12-V108 HydrophobicContact CE2-CG1 3.73Å; F18-V108 HydrophobicContact CD1-CG1 4.4Å; F18-V108 HydrophobicContact CE1-CG1 4.09Å; M101-V108 HydrophobicContact CG-CG2 3.77Å; M101-V108 PolarHBondContact N-O 3.32Å; M101-V108 PolarHBondContact O-N 2.79Å; L103-V108 HydrophobicContact CB-CG2 3.94Å; V106-V108 HydrophobicContact CB-CG1 4.38Å; V106-V108 HydrophobicContact CG1-CG1 3.8Å; V106-V108 PolarHBondContact O-N 3.14Å; V108-L125 HydrophobicContact CB-CD2 4.49Å; V108-L125 HydrophobicContact CG2-CD1 4.42Å; V108-L125 HydrophobicContact CG2-CD2 4.06Å; V108-E126 CarbonylContact C-O 3.48Å; V108-E126 WeakPolarHBondContact CA-O 3.38Å; V108-E126 WeakPolarHBondContact CB-O 3.48Å |
| 109 | I | 96.3 | Very high | 94.8 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.9 | 169 | -59.7 | 169.9 | 0 | 0 | 0 | 106.9 | K98 P100 K111 E126 D128 | K98-I109 HydrophobicContact CD-CG2 4.22Å; K98-I109 HydrophobicContact CG-CG2 3.51Å; P100-I109 HydrophobicContact CB-CG1 4.33Å; I109-K111 HydrophobicContact CG2-CG 3.93Å; I109-E126 PolarHBondContact N-O 2.8Å; I109-E126 PolarHBondContact O-N 2.84Å; I109-D128 HydrophobicContact CD1-CB 4.16Å; I109-D128 HydrophobicContact CG1-CB 3.93Å |
| 110 | W | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 133.2 | 165.8 | -178.1 | 91.5 | 0 | 0 | 0 | 109 | I27 F57 L66 L97 K98 A99 C124 L125 | I27-W110 HydrophobicContact CD1-CZ2 4.01Å; I27-W110 HydrophobicContact CG1-CZ2 4.33Å; F57-W110 AromaticContact CE2-CD1 3.99Å; F57-W110 AromaticContact CE2-NE1 3.97Å; F57-W110 AromaticContact CZ-CD1 3.82Å; F57-W110 AromaticContact CZ-NE1 3.69Å; L66-W110 HydrophobicContact CD1-CD2 3.79Å; L66-W110 HydrophobicContact CD1-CE3 3.5Å; L66-W110 HydrophobicContact CD1-CH2 3.89Å; L66-W110 HydrophobicContact CD1-CZ2 4.15Å; L66-W110 HydrophobicContact CD1-CZ3 3.56Å; L66-W110 HydrophobicContact CD2-CB 4.2Å; L66-W110 HydrophobicContact CD2-CD2 4.06Å; L66-W110 HydrophobicContact CD2-CE3 4.32Å; L66-W110 HydrophobicContact CD2-CG 4Å; L97-W110 HydrophobicContact CB-CH2 3.98Å; L97-W110 HydrophobicContact CB-CZ3 3.43Å; L97-W110 VanDerWaalsContact CB-CZ3 3.43Å; L97-W110 HydrophobicContact CD1-CH2 4.47Å; L97-W110 WeakPolarHBondContact O-CZ3 3.39Å; K98-W110 CarbonylContact C-O 3.59Å; K98-W110 VanDerWaalsContact CA-O 3.32Å; K98-W110 WeakPolarHBondContact CA-O 3.22Å; A99-W110 HydrophobicContact CB-CB 4.42Å; A99-W110 HydrophobicContact CB-CE3 4.36Å; A99-W110 PolarHBondContact N-O 3.5Å; A99-W110 PolarHBondContact O-N 3.33Å; W110-C124 WeakPolarHBondContact CA-O 3.32Å; W110-L125 HydrophobicContact CB-CD2 3.72Å; W110-L125 HydrophobicContact CG-CD2 4.18Å |
| 111 | K | 96.7 | Very high | 95.1 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142.4 | 173.6 | -69.1 | -175.3 | -175.2 | 166.6 | 0 | 109.4 | L97 K98 I109 G123 C124 E126 | L97-K111 WeakPolarHBondContact O-CA 3.37Å; K98-K111 HydrophobicContact CB-CG 4.47Å; K98-K111 HydrophobicContact CG-CG 4.15Å; I109-K111 HydrophobicContact CG2-CG 3.93Å; K111-G123 CarbonylContact O-C 3.42Å; K111-G123 WeakPolarHBondContact O-CA 3.19Å; K111-C124 PolarHBondContact N-O 3.03Å; K111-C124 PolarHBondContact O-N 3.45Å; K111-E126 WeakPolarHBondContact CE-OE2 3.32Å; K111-E126 IonicContact NZ-OE1 3.73Å; K111-E126 IonicContact NZ-OE2 3.74Å; K111-E126 PolarHBondContact NZ-OE2 2.83Å |
| 112 | G | 97 | Very high | 95.3 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -175.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y96 L97 M122 | Y96-G112 WeakPolarHBondContact CA-O 3.13Å; L97-G112 PolarHBondContact N-O 3.15Å; L97-G112 PolarHBondContact O-N 2.79Å; G112-M122 CarbonylContact C-O 3.51Å; G112-M122 WeakPolarHBondContact CA-O 3.49Å |
| 113 | W | 97.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 35 Ų | 35 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151 | 171.2 | 60.2 | -93 | 0 | 0 | 0 | 110.5 | K94 V95 Y96 D115 G121 M122 | K94-W113 HydrophobicContact CD-CD2 4.08Å; K94-W113 HydrophobicContact CD-CE3 3.57Å; K94-W113 HydrophobicContact CD-CZ3 3.89Å; K94-W113 HydrophobicContact CG-CE3 4.1Å; K94-W113 HydrophobicContact CG-CZ3 4.45Å; V95-W113 CarbonylContact O-C 3.58Å; V95-W113 WeakPolarHBondContact O-CA 3.41Å; Y96-W113 HydrophobicContact CD1-CB 3.71Å; Y96-W113 HydrophobicContact CD1-CG 4.47Å; Y96-W113 HydrophobicContact CD2-CB 4.28Å; Y96-W113 HydrophobicContact CE1-CB 3.75Å; Y96-W113 AromaticContact CE1-CD1 3.92Å; Y96-W113 HydrophobicContact CE1-CG 4.06Å; Y96-W113 HydrophobicContact CE2-CB 4.3Å; Y96-W113 HydrophobicContact CG-CB 4Å; W113-D115 HydrophobicContact CZ3-CB 4.46Å; W113-G121 WeakPolarHBondContact O-CA 3.24Å; W113-M122 HydrophobicContact CH2-CG 4.35Å; W113-M122 HydrophobicContact CZ2-CB 3.98Å; W113-M122 HydrophobicContact CZ2-CG 3.56Å; W113-M122 PolarHBondContact N-O 3.08Å; W113-M122 PolarHBondContact O-N 3.48Å |
| 114 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.2 | 176.3 | -63.6 | 177.3 | 0 | 0 | 0 | 108.8 | I27 F44 I55 K94 V95 L97 L116 | I27-I114 HydrophobicContact CD1-CD1 3.53Å; I27-I114 HydrophobicContact CD1-CG1 3.3Å; F44-I114 HydrophobicContact CD1-CG2 4.38Å; F44-I114 HydrophobicContact CE1-CB 3.92Å; F44-I114 HydrophobicContact CE1-CG2 3.47Å; F44-I114 VanDerWaalsContact CE1-CG2 3.47Å; F44-I114 HydrophobicContact CE2-CD1 3.93Å; F44-I114 HydrophobicContact CZ-CB 3.71Å; F44-I114 HydrophobicContact CZ-CD1 3.58Å; F44-I114 HydrophobicContact CZ-CG1 4.17Å; F44-I114 HydrophobicContact CZ-CG2 3.58Å; I55-I114 HydrophobicContact CG2-CD1 3.74Å; K94-I114 CarbonylContact C-O 3.54Å; K94-I114 WeakPolarHBondContact CA-O 3.44Å; V95-I114 HydrophobicContact CG1-CB 4.05Å; V95-I114 PolarHBondContact N-O 3.22Å; V95-I114 PolarHBondContact O-N 3.26Å; L97-I114 HydrophobicContact CD1-CD1 4.01Å; L97-I114 HydrophobicContact CD1-CG1 4.45Å; I114-L116 PolarHBondContact O-N 3.26Å |
| 115 | D | 97.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 30.9 Ų | 30.9 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.2 | 169.4 | -173.6 | -61.2 | 0 | 0 | 0 | 109.8 | W113 Q117 R118 L119 D120 | W113-D115 HydrophobicContact CZ3-CB 4.46Å; D115-Q117 PolarHBondContact O-N 3.2Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.32Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.39Å; D115-R118 HydrophobicContact CB-CB 4.05Å; D115-R118 PolarHBondContact OD1-N 2.72Å; D115-L119 WeakPolarHBondContact O-CA 3.27Å; D115-L119 PolarHBondContact O-N 2.92Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 3.32Å |
| 116 | L | 95.2 | Very high | 96.3 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.8 | -175.7 | -66.2 | 176.2 | 0 | 0 | 0 | 112.9 | F44 Q45 L88 G93 V95 I114 | F44-L116 HydrophobicContact CD1-CD2 4.2Å; F44-L116 HydrophobicContact CE1-CD2 3.96Å; Q45-L116 HydrophobicContact CG-CD2 3.98Å; L88-L116 HydrophobicContact CD2-CD1 4.07Å; L88-L116 HydrophobicContact CD2-CD2 4.31Å; G93-L116 WeakPolarHBondContact O-CB 3.42Å; G93-L116 WeakPolarHBondContact O-CG 3.31Å; G93-L116 PolarHBondContact O-N 2.94Å; V95-L116 HydrophobicContact CB-CD2 4.03Å; V95-L116 HydrophobicContact CG1-CD2 3.85Å; I114-L116 PolarHBondContact O-N 3.26Å |
| 117 | Q | 94.7 | Very high | 96.4 | Very high | 135 Ų | 135 | 36.1 Ų | 36.1 | 63% | 0.631 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -48.4 | 178.3 | -62.4 | -176.4 | 6.4 | 0 | 0 | 110.9 | H37 Q41 D115 | H37-Q117 PolarHBondContact CE1-O 2.91Å; H37-Q117 PolarHBondContact NE2-O 3.47Å; Q41-Q117 PolarHBondContact NE2-O 2.82Å; D115-Q117 PolarHBondContact O-N 3.2Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.32Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.39Å; D115-Q117 PolarHBondContact OD1-N 3.39Å |
| 118 | R | 95.6 | Very high | 96.4 | Very high | 160 Ų | 160 | 37.3 Ų | 37.3 | 60% | 0.604 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -21.8 | -174.6 | -65.6 | 173.9 | 53.3 | 168.2 | -1 | 113.5 | D115 D120 | D115-R118 HydrophobicContact CB-CB 4.05Å; D115-R118 PolarHBondContact OD1-N 2.72Å; R118-D120 WeakPolarHBondContact CB-OD1 3.42Å; R118-D120 IonicContact CZ-OD1 3.21Å; R118-D120 IonicContact CZ-OD2 3.8Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 2.82Å; R118-D120 PolarHBondContact NE-OD1 3.29Å; R118-D120 VanDerWaalsContact NE-OD1 3.07Å; R118-D120 IonicContact NE-OD2 3.6Å; R118-D120 PolarHBondContact NE-OD2 2.83Å; R118-D120 VanDerWaalsContact NE-OD2 3.08Å; R118-D120 IonicContact NH2-OD1 2.73Å; R118-D120 IonicContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact NH2-OD2 2.72Å; R118-D120 PolarHBondContact O-N 3.24Å |
| 119 | L | 96.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 60.8 | 24.9 | -176.8 | -57.3 | 177.3 | 0 | 0 | 0 | 113.2 | Y29 R40 Q41 F44 D115 | Y29-L119 HydrophobicContact CD1-CD1 4.15Å; Y29-L119 HydrophobicContact CD1-CD2 4.32Å; Y29-L119 PolarHBondContact N-O 3.38Å; R40-L119 HydrophobicContact CB-CD1 3.61Å; Q41-L119 HydrophobicContact CG-CD1 4.18Å; Q41-L119 HydrophobicContact CG-CD2 4.44Å; Q41-L119 HydrophobicContact CG-CG 4.27Å; F44-L119 HydrophobicContact CB-CD2 3.83Å; F44-L119 HydrophobicContact CD1-CD2 3.58Å; F44-L119 HydrophobicContact CE1-CD2 4.43Å; F44-L119 HydrophobicContact CG-CD2 3.89Å; D115-L119 WeakPolarHBondContact O-CA 3.27Å; D115-L119 PolarHBondContact O-N 2.92Å |
| 120 | D | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 166.6 | 171.2 | 63.1 | 18.5 | 0 | 0 | 0 | 109.8 | I27 K28 D115 R118 | I27-D120 CarbonylContact O-C 3.5Å; I27-D120 WeakPolarHBondContact O-CA 3.08Å; K28-D120 HydrophobicContact CG-CB 3.96Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 3.32Å; R118-D120 WeakPolarHBondContact CB-OD1 3.42Å; R118-D120 IonicContact CZ-OD1 3.21Å; R118-D120 IonicContact CZ-OD2 3.8Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 2.82Å; R118-D120 PolarHBondContact NE-OD1 3.29Å; R118-D120 VanDerWaalsContact NE-OD1 3.07Å; R118-D120 IonicContact NE-OD2 3.6Å; R118-D120 PolarHBondContact NE-OD2 2.83Å; R118-D120 VanDerWaalsContact NE-OD2 3.08Å; R118-D120 IonicContact NH2-OD1 2.73Å; R118-D120 IonicContact NH2-OD2 3.09Å; R118-D120 PolarHBondContact NH2-OD2 2.72Å; R118-D120 PolarHBondContact O-N 3.24Å |
| 121 | G | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -154.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E26 I27 W113 | E26-G121 WeakPolarHBondContact CA-O 3.43Å; I27-G121 PolarHBondContact N-O 2.91Å; I27-G121 PolarHBondContact O-N 2.8Å; W113-G121 WeakPolarHBondContact O-CA 3.24Å |
| 122 | M | 97.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 35% | 0.345 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.4 | -179.4 | -62.6 | -67.7 | -172.6 | 0 | 0 | 110.9 | E24 C25 E26 G112 W113 | E24-M122 HydrophobicContact CG-CB 3.76Å; E24-M122 HydrophobicContact CG-CG 4.33Å; E24-M122 WeakPolarHBondContact OE1-CB 3.38Å; C25-M122 WeakPolarHBondContact O-CA 3.43Å; E26-M122 HydrophobicContact CB-SD 4.33Å; G112-M122 CarbonylContact C-O 3.51Å; G112-M122 WeakPolarHBondContact CA-O 3.49Å; W113-M122 HydrophobicContact CH2-CG 4.35Å; W113-M122 HydrophobicContact CZ2-CB 3.98Å; W113-M122 HydrophobicContact CZ2-CG 3.56Å; W113-M122 PolarHBondContact N-O 3.08Å; W113-M122 PolarHBondContact O-N 3.48Å |
| 123 | G | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 169.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C25 F57 K111 | C25-G123 PolarHBondContact N-O 3.45Å; C25-G123 PolarHBondContact O-N 3.05Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å; K111-G123 CarbonylContact O-C 3.42Å; K111-G123 WeakPolarHBondContact O-CA 3.19Å |
| 124 | C | 96.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 52.9 Ų | 52.9 | 16% | 0.155 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 169 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | L21 W110 K111 | L21-C124 CarbonylContact O-C 3.47Å; L21-C124 VanDerWaalsContact O-CA 3.24Å; L21-C124 WeakPolarHBondContact O-CA 3.45Å; W110-C124 WeakPolarHBondContact CA-O 3.32Å; K111-C124 PolarHBondContact N-O 3.03Å; K111-C124 PolarHBondContact O-N 3.45Å |
| 125 | L | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.7 | 169.1 | -63.4 | -179.7 | 0 | 0 | 0 | 110.3 | F12 F18 L21 S22 L64 L103 V108 W110 | F12-L125 HydrophobicContact CE2-CB 4.29Å; F18-L125 HydrophobicContact CD1-CD1 4.28Å; L21-L125 HydrophobicContact CB-CB 4.47Å; L21-L125 HydrophobicContact CB-CD1 3.66Å; L21-L125 HydrophobicContact CB-CG 3.99Å; L21-L125 HydrophobicContact CD1-CD1 3.75Å; L21-L125 HydrophobicContact CG-CD1 4.38Å; L21-L125 PolarHBondContact O-N 3.3Å; S22-L125 VanDerWaalsContact CA-O 3.28Å; S22-L125 WeakPolarHBondContact CA-O 3.46Å; S22-L125 WeakPolarHBondContact CB-O 3.35Å; L64-L125 HydrophobicContact CD1-CD2 4.39Å; L103-L125 HydrophobicContact CD2-CD1 3.63Å; V108-L125 HydrophobicContact CB-CD2 4.49Å; V108-L125 HydrophobicContact CG2-CD1 4.42Å; V108-L125 HydrophobicContact CG2-CD2 4.06Å; W110-L125 HydrophobicContact CB-CD2 3.72Å; W110-L125 HydrophobicContact CG-CD2 4.18Å |
| 126 | E | 96.6 | Very high | 93.3 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 36% | 0.36 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.9 | 168.8 | -67.3 | -179 | -174.4 | 0 | 0 | 109.8 | V108 I109 K111 | V108-E126 CarbonylContact C-O 3.48Å; V108-E126 WeakPolarHBondContact CA-O 3.38Å; V108-E126 WeakPolarHBondContact CB-O 3.48Å; I109-E126 PolarHBondContact N-O 2.8Å; I109-E126 PolarHBondContact O-N 2.84Å; K111-E126 WeakPolarHBondContact CE-OE2 3.32Å; K111-E126 IonicContact NZ-OE1 3.73Å; K111-E126 IonicContact NZ-OE2 3.74Å; K111-E126 PolarHBondContact NZ-OE2 2.83Å |
| 127 | F | 95.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 56 Ų | 56 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 131.3 | 175.1 | -178.2 | -115.6 | 0 | 0 | 0 | 110.6 | Q8 R9 F12 V106 C107 E129 A132 | Q8-F127 HydrophobicContact CB-CE2 3.84Å; Q8-F127 HydrophobicContact CB-CZ 4.17Å; R9-F127 HydrophobicContact CB-CE1 4.02Å; R9-F127 HydrophobicContact CB-CZ 3.95Å; R9-F127 HydrophobicContact CG-CE1 4.44Å; F12-F127 HydrophobicContact CB-CD2 3.98Å; F12-F127 HydrophobicContact CD1-CB 3.7Å; F12-F127 HydrophobicContact CD1-CG 4.34Å; F12-F127 HydrophobicContact CD2-CB 4.29Å; F12-F127 HydrophobicContact CD2-CD2 4.36Å; F12-F127 HydrophobicContact CE1-CB 3.76Å; F12-F127 HydrophobicContact CE2-CB 4.34Å; F12-F127 HydrophobicContact CG-CB 3.97Å; F12-F127 HydrophobicContact CG-CD2 4.03Å; F12-F127 HydrophobicContact CG-CG 4.31Å; F12-F127 HydrophobicContact CZ-CB 4.09Å; V106-F127 HydrophobicContact CG1-CD2 3.94Å; V106-F127 HydrophobicContact CG1-CE2 3.96Å; C107-F127 WeakPolarHBondContact O-CD2 3.32Å; F127-E129 HydrophobicContact CD1-CB 4.03Å; F127-E129 HydrophobicContact CE1-CB 3.8Å; F127-E129 HydrophobicContact CE1-CG 4.38Å; F127-E129 PolarHBondContact O-N 3.21Å; F127-A132 HydrophobicContact CE1-CB 4.31Å; F127-A132 HydrophobicContact CE2-CB 3.82Å; F127-A132 HydrophobicContact CZ-CB 3.44Å; F127-A132 VanDerWaalsContact CZ-CB 3.44Å |
| 128 | D | 94.4 | Very high | 92.4 | Very high | 24 Ų | 24 | 54.3 Ų | 54.3 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | trans | -97.3 | 86.3 | 177.4 | -165.5 | -20.1 | 0 | 0 | 0 | 109.5 | C107 I109 R131 A132 | C107-D128 HydrophobicContact CB-CB 4.12Å; C107-D128 PolarHBondContact O-N 3.18Å; C107-D128 VanDerWaalsContact O-N 3.08Å; I109-D128 HydrophobicContact CD1-CB 4.16Å; I109-D128 HydrophobicContact CG1-CB 3.93Å; D128-R131 HydrophobicContact CB-CB 4.05Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.28Å; D128-R131 PolarHBondContact OD1-N 3.13Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.49Å; D128-R131 WeakPolarHBondContact OD2-CD 3.45Å; D128-A132 WeakPolarHBondContact O-CB 3.24Å; D128-A132 PolarHBondContact O-N 3.02Å | ||
| 129 | E | 91.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 43% | 0.425 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | -175.1 | 173.8 | 162 | -141.2 | 0 | 0 | 112.8 | R9 F127 R131 A132 Q133 | R9-E129 IonicContact CZ-OE1 3.32Å; R9-E129 IonicContact NE-OE1 2.63Å; R9-E129 IonicContact NH2-OE1 3.84Å; R9-E129 PolarHBondContact NH2-OE1 3.44Å; R9-E129 IonicContact NH2-OE2 2.97Å; R9-E129 PolarHBondContact NH2-OE2 2.97Å; F127-E129 HydrophobicContact CD1-CB 4.03Å; F127-E129 HydrophobicContact CE1-CB 3.8Å; F127-E129 HydrophobicContact CE1-CG 4.38Å; F127-E129 PolarHBondContact O-N 3.21Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.96Å; E129-A132 PolarHBondContact O-N 3.25Å; E129-Q133 WeakPolarHBondContact O-CG 3.18Å; E129-Q133 PolarHBondContact O-N 2.94Å |
| 130 | E | 90.3 | Very high | 91.1 | Very high | 135 Ų | 135 | 51.9 Ų | 51.9 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | -178.7 | -172.2 | -174.6 | 165.4 | 0 | 0 | 110.3 | Q133 Q134 | E130-Q133 PolarHBondContact O-N 3.15Å; E130-Q134 WeakPolarHBondContact O-CG 3.45Å; E130-Q134 PolarHBondContact O-N 3.01Å; E130-Q134 VanDerWaalsContact O-N 3.15Å; E130-Q134 PolarHBondContact OE1-NE2 2.73Å |
| 131 | R | 87 | Confident | 90.4 | Very high | 26 Ų | 26 | 56 Ų | 56 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.9 | -37.3 | 178.1 | -171.6 | -175.2 | 166.2 | -174.2 | 6.6 | 112.6 | P100 M101 C107 D128 E129 Q133 Q134 E135 | P100-R131 VanDerWaalsContact C-NH1 3.33Å; M101-R131 PolarHBondContact O-NH1 2.63Å; C107-R131 HydrophobicContact CB-CB 4.23Å; C107-R131 HydrophobicContact CB-CG 4.17Å; D128-R131 HydrophobicContact CB-CB 4.05Å; D128-R131 VanDerWaalsContact OD1-CB 3.27Å; D128-R131 WeakPolarHBondContact OD1-CB 3.28Å; D128-R131 PolarHBondContact OD1-N 3.13Å; D128-R131 VanDerWaalsContact OD2-CB 3.26Å; D128-R131 WeakPolarHBondContact OD2-CB 3.49Å; D128-R131 WeakPolarHBondContact OD2-CD 3.45Å; E129-R131 VanDerWaalsContact C-N 3.33Å; E129-R131 PolarHBondContact O-N 2.96Å; R131-Q133 PolarHBondContact O-N 2.96Å; R131-Q134 PolarHBondContact O-N 2.81Å; R131-E135 HydrophobicContact CG-CG 4.02Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 2.82Å |
| 132 | A | 90 | Very high | 89.6 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.1 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q8 C107 F127 D128 E129 D136 | Q8-A132 HydrophobicContact CB-CB 4.36Å; Q8-A132 PolarHBondContact NE2-O 3.21Å; C107-A132 HydrophobicContact CB-CB 4.05Å; F127-A132 HydrophobicContact CE1-CB 4.31Å; F127-A132 HydrophobicContact CE2-CB 3.82Å; F127-A132 HydrophobicContact CZ-CB 3.44Å; F127-A132 VanDerWaalsContact CZ-CB 3.44Å; D128-A132 WeakPolarHBondContact O-CB 3.24Å; D128-A132 PolarHBondContact O-N 3.02Å; E129-A132 PolarHBondContact O-N 3.25Å; A132-D136 WeakPolarHBondContact O-CB 3.16Å; A132-D136 PolarHBondContact O-N 2.75Å |
| 133 | Q | 89.2 | Confident | 88.6 | Confident | 121 Ų | 121 | 61.3 Ų | 61.3 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.7 | -44.8 | 175.6 | -68.7 | 173.3 | 16.6 | 0 | 0 | 112.2 | E129 E130 R131 D136 A137 | E129-Q133 WeakPolarHBondContact O-CG 3.18Å; E129-Q133 PolarHBondContact O-N 2.94Å; E130-Q133 PolarHBondContact O-N 3.15Å; R131-Q133 PolarHBondContact O-N 2.96Å; Q133-D136 PolarHBondContact O-N 3.48Å; Q133-A137 WeakPolarHBondContact O-CB 3.3Å; Q133-A137 PolarHBondContact O-N 3.17Å |
| 134 | Q | 87.5 | Confident | 87.7 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -48.4 | 179.1 | -69.4 | 173.2 | 15.4 | 0 | 0 | 112.1 | E130 R131 A137 L138 | E130-Q134 WeakPolarHBondContact O-CG 3.45Å; E130-Q134 PolarHBondContact O-N 3.01Å; E130-Q134 VanDerWaalsContact O-N 3.15Å; E130-Q134 PolarHBondContact OE1-NE2 2.73Å; R131-Q134 PolarHBondContact O-N 2.81Å; Q134-A137 PolarHBondContact O-N 3.42Å; Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 3.46Å |
| 135 | E | 86.8 | Confident | 87 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.6 | -34.3 | 179.6 | -71 | -82.4 | -178.4 | 0 | 0 | 111.9 | V4 I102 R131 L138 A139 | V4-E135 HydrophobicContact CG1-CB 3.72Å; V4-E135 HydrophobicContact CG1-CG 4.47Å; V4-E135 HydrophobicContact CG2-CB 4.13Å; V4-E135 WeakPolarHBondContact CG2-O 3.33Å; I102-E135 HydrophobicContact CD1-CG 4.32Å; R131-E135 HydrophobicContact CG-CG 4.02Å; R131-E135 WeakPolarHBondContact O-CB 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 2.82Å; E135-L138 PolarHBondContact O-N 3.16Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.48Å |
| 136 | D | 86.7 | Confident | 86 | Confident | 43 Ų | 43 | 73.5 Ų | 73.5 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 174.4 | -171.9 | 55.1 | 0 | 0 | 0 | 111.2 | A132 Q133 L138 A139 Q140 | A132-D136 WeakPolarHBondContact O-CB 3.16Å; A132-D136 PolarHBondContact O-N 2.75Å; Q133-D136 PolarHBondContact O-N 3.48Å; D136-L138 PolarHBondContact O-N 2.9Å; D136-A139 PolarHBondContact O-N 2.82Å; D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 PolarHBondContact OD2-NE2 2.9Å |
| 137 | A | 85.7 | Confident | 85.1 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q133 Q134 Q140 Q141 | Q133-A137 WeakPolarHBondContact O-CB 3.3Å; Q133-A137 PolarHBondContact O-N 3.17Å; Q134-A137 PolarHBondContact O-N 3.42Å; A137-Q140 PolarHBondContact O-N 2.83Å; A137-Q141 WeakPolarHBondContact O-CB 3.24Å; A137-Q141 VanDerWaalsContact O-CG 3.26Å; A137-Q141 WeakPolarHBondContact O-CG 3.33Å; A137-Q141 PolarHBondContact O-N 2.93Å |
| 138 | L | 85.5 | Confident | 84.2 | Confident | 101 Ų | 101 | 82 Ų | 82 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.1 | -70.3 | 166.9 | 0 | 0 | 0 | 112 | Q134 E135 D136 A142 | Q134-L138 VanDerWaalsContact O-CG 3.3Å; Q134-L138 WeakPolarHBondContact O-CG 3.42Å; Q134-L138 PolarHBondContact O-N 3.46Å; E135-L138 PolarHBondContact O-N 3.16Å; D136-L138 PolarHBondContact O-N 2.9Å; L138-A142 WeakPolarHBondContact O-CB 3.36Å; L138-A142 PolarHBondContact O-N 2.85Å |
| 139 | A | 82.6 | Confident | 83.4 | Confident | 14 Ų | 14 | 88.8 Ų | 88.8 | 12% | 0.116 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P2 V4 E135 D136 A142 F143 | P2-A139 HydrophobicContact CB-CB 4.06Å; V4-A139 HydrophobicContact CG2-CB 3.66Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.48Å; D136-A139 PolarHBondContact O-N 2.82Å; A139-A142 PolarHBondContact O-N 2.62Å; A139-F143 WeakPolarHBondContact O-CB 3.42Å; A139-F143 PolarHBondContact O-N 2.94Å |
| 140 | Q | 81.9 | Confident | 82.7 | Confident | 100 Ų | 100 | 88 Ų | 88 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 176.4 | -72.6 | 178.2 | 17.5 | 0 | 0 | 111.1 | D136 A137 A142 F143 E144 | D136-Q140 WeakPolarHBondContact O-CB 3.4Å; D136-Q140 VanDerWaalsContact O-CG 3.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.48Å; D136-Q140 PolarHBondContact O-N 2.84Å; D136-Q140 PolarHBondContact OD2-NE2 2.9Å; A137-Q140 PolarHBondContact O-N 2.83Å; Q140-A142 PolarHBondContact O-N 2.86Å; Q140-F143 WeakPolarHBondContact O-CB 3.33Å; Q140-F143 PolarHBondContact O-N 3.25Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 2.68Å |
| 141 | Q | 82.5 | Confident | 82 | Confident | 110 Ų | 110 | 87.6 Ų | 87.6 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.2 | -47.4 | 175.6 | -73.4 | 173.5 | 6.1 | 0 | 0 | 111.7 | A137 F143 E144 E145 | A137-Q141 WeakPolarHBondContact O-CB 3.24Å; A137-Q141 VanDerWaalsContact O-CG 3.26Å; A137-Q141 WeakPolarHBondContact O-CG 3.33Å; A137-Q141 PolarHBondContact O-N 2.93Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.46Å; Q141-E144 PolarHBondContact O-N 3.12Å; Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.38Å; Q141-E145 PolarHBondContact O-N 3.32Å |
| 142 | A | 80.3 | Confident | 81.6 | Confident | 56 Ų | 56 | 89.7 Ų | 89.7 | 46% | 0.463 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -35.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L138 A139 Q140 A146 | L138-A142 WeakPolarHBondContact O-CB 3.36Å; L138-A142 PolarHBondContact O-N 2.85Å; A139-A142 PolarHBondContact O-N 2.62Å; Q140-A142 PolarHBondContact O-N 2.86Å; A142-A146 VanDerWaalsContact O-CB 3.27Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.02Å |
| 143 | F | 77 | Confident | 80.8 | Confident | 129 Ų | 129 | 96.5 Ų | 96.5 | 57% | 0.566 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.5 | -43.4 | 176.3 | -171.5 | -94.9 | 0 | 0 | 0 | 111.9 | A139 Q140 Q141 A146 R147 | A139-F143 WeakPolarHBondContact O-CB 3.42Å; A139-F143 PolarHBondContact O-N 2.94Å; Q140-F143 WeakPolarHBondContact O-CB 3.33Å; Q140-F143 PolarHBondContact O-N 3.25Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q141-F143 VanDerWaalsContact C-N 3.28Å; Q141-F143 PolarHBondContact O-N 3.46Å; F143-A146 PolarHBondContact O-N 2.93Å; F143-R147 VanDerWaalsContact O-CB 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.2Å; F143-R147 PolarHBondContact O-N 2.92Å |
| 144 | E | 78.5 | Confident | 80.3 | Confident | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 176.5 | -73.4 | -177.4 | 173.3 | 0 | 0 | 111.9 | Q140 Q141 R147 R148 | Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 2.68Å; Q141-E144 PolarHBondContact O-N 3.12Å; E144-R147 PolarHBondContact O-N 3.42Å; E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.29Å; E144-R148 PolarHBondContact O-N 3.15Å |
| 145 | E | 80.3 | Confident | 79.7 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.1 | -75.8 | -171.3 | -173.9 | 0 | 0 | 111.8 | Q141 R147 R148 R149 | Q141-E145 WeakPolarHBondContact O-CB 3.43Å; Q141-E145 WeakPolarHBondContact O-CG 3.38Å; Q141-E145 PolarHBondContact O-N 3.32Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R148 PolarHBondContact O-N 3.45Å; E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE2-NH2 3.08Å |
| 146 | A | 76.7 | Confident | 79.2 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 41% | 0.405 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A142 F143 R149 T150 | A142-A146 VanDerWaalsContact O-CB 3.27Å; A142-A146 WeakPolarHBondContact O-CB 3.26Å; A142-A146 PolarHBondContact O-N 3.02Å; F143-A146 PolarHBondContact O-N 2.93Å; A146-R149 PolarHBondContact O-N 3.15Å; A146-T150 WeakPolarHBondContact O-CB 3.43Å; A146-T150 PolarHBondContact O-N 3.35Å; A146-T150 PolarHBondContact O-OG1 3.33Å |
| 147 | R | 76.5 | Confident | 78.6 | Confident | 138 Ų | 138 | 104.7 Ų | 104.7 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.5 | -170.8 | 179.8 | -175 | -173.3 | 3.7 | 111.4 | F143 E144 E145 T150 R151 | F143-R147 VanDerWaalsContact O-CB 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.2Å; F143-R147 PolarHBondContact O-N 2.92Å; E144-R147 PolarHBondContact O-N 3.42Å; E145-R147 VanDerWaalsContact C-N 3.35Å; R147-T150 PolarHBondContact O-N 2.85Å; R147-R151 VanDerWaalsContact CZ-NH2 3.32Å; R147-R151 VanDerWaalsContact NH2-NH2 3.15Å; R147-R151 WeakPolarHBondContact O-CG 3.16Å; R147-R151 PolarHBondContact O-N 3.49Å |
| 148 | R | 76.3 | Confident | 78.3 | Confident | 160 Ų | 160 | 109.6 Ų | 109.6 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -47 | 176 | -174.8 | -174.8 | 139.9 | -160.7 | -9.3 | 111.2 | E144 E145 T150 R151 E152 | E144-R148 VanDerWaalsContact O-CB 3.29Å; E144-R148 WeakPolarHBondContact O-CB 3.29Å; E144-R148 PolarHBondContact O-N 3.15Å; E145-R148 PolarHBondContact O-N 3.45Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 2.88Å; R148-R151 PolarHBondContact O-N 3.39Å; R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 IonicContact CZ-OE1 3.56Å; R148-E152 VanDerWaalsContact CZ-OE1 3.32Å; R148-E152 IonicContact NE-OE1 3.08Å; R148-E152 PolarHBondContact NE-OE1 3.44Å; R148-E152 IonicContact NH2-OE1 3.64Å; R148-E152 PolarHBondContact NH2-OE1 2.94Å; R148-E152 WeakPolarHBondContact O-CB 3.08Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.97Å |
| 149 | R | 77.6 | Confident | 77.9 | Confident | 167 Ų | 167 | 107.6 Ų | 107.6 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | 175.5 | -73.4 | 178 | -170 | -174.6 | 7.7 | 112.2 | E145 A146 F153 | E145-R149 WeakPolarHBondContact O-CB 3.43Å; E145-R149 VanDerWaalsContact O-CG 3.31Å; E145-R149 WeakPolarHBondContact O-CG 3.25Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE2-NH2 3.08Å; A146-R149 PolarHBondContact O-N 3.15Å; R149-F153 WeakPolarHBondContact O-CB 2.97Å; R149-F153 PolarHBondContact O-N 3.38Å |
| 150 | T | 77 | Confident | 77.7 | Confident | 74 Ų | 74 | 112 Ų | 112 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | A146 R147 R148 F153 E154 | A146-T150 WeakPolarHBondContact O-CB 3.43Å; A146-T150 PolarHBondContact O-N 3.35Å; A146-T150 PolarHBondContact O-OG1 3.33Å; R147-T150 PolarHBondContact O-N 2.85Å; R148-T150 VanDerWaalsContact C-N 3.28Å; R148-T150 PolarHBondContact O-N 2.88Å; T150-F153 WeakPolarHBondContact O-CB 3.4Å; T150-F153 PolarHBondContact O-N 3.05Å; T150-E154 WeakPolarHBondContact O-CG 3.36Å; T150-E154 PolarHBondContact O-N 3.33Å |
| 151 | R | 76.3 | Confident | 77.5 | Confident | 127 Ų | 127 | 114.9 Ų | 114.9 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175 | -73.1 | 173.1 | 173.8 | 179.3 | -5.9 | 112.6 | R147 R148 F153 E154 D155 | R147-R151 VanDerWaalsContact CZ-NH2 3.32Å; R147-R151 VanDerWaalsContact NH2-NH2 3.15Å; R147-R151 WeakPolarHBondContact O-CG 3.16Å; R147-R151 PolarHBondContact O-N 3.49Å; R148-R151 PolarHBondContact O-N 3.39Å; R151-F153 PolarHBondContact O-N 3.24Å; R151-E154 PolarHBondContact O-N 3.44Å; R151-D155 WeakPolarHBondContact O-CB 3.45Å; R151-D155 PolarHBondContact O-N 3.06Å |
| 152 | E | 78.7 | Confident | 77.5 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -33.8 | 176.6 | -73.9 | 176.4 | -174.7 | 0 | 0 | 111.8 | R148 R156 | R148-E152 HydrophobicContact CG-CG 4.47Å; R148-E152 IonicContact CZ-OE1 3.56Å; R148-E152 VanDerWaalsContact CZ-OE1 3.32Å; R148-E152 IonicContact NE-OE1 3.08Å; R148-E152 PolarHBondContact NE-OE1 3.44Å; R148-E152 IonicContact NH2-OE1 3.64Å; R148-E152 PolarHBondContact NH2-OE1 2.94Å; R148-E152 WeakPolarHBondContact O-CB 3.08Å; R148-E152 WeakPolarHBondContact O-CG 3.36Å; R148-E152 PolarHBondContact O-N 2.97Å; E152-R156 WeakPolarHBondContact O-CB 3.41Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.11Å |
| 153 | F | 74.2 | Confident | 77.4 | Confident | 150 Ų | 150 | 116.8 Ų | 116.8 | 66% | 0.658 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.5 | -45.9 | 174.8 | -172.9 | -94.3 | 0 | 0 | 0 | 112.1 | R149 T150 R151 D155 R156 D157 | R149-F153 WeakPolarHBondContact O-CB 2.97Å; R149-F153 PolarHBondContact O-N 3.38Å; T150-F153 WeakPolarHBondContact O-CB 3.4Å; T150-F153 PolarHBondContact O-N 3.05Å; R151-F153 PolarHBondContact O-N 3.24Å; F153-D155 PolarHBondContact O-N 2.81Å; F153-R156 PolarHBondContact O-N 3.01Å; F153-D157 WeakPolarHBondContact O-CB 3.06Å; F153-D157 PolarHBondContact O-N 3.21Å |
| 154 | E | 77.2 | Confident | 77.4 | Confident | 111 Ų | 111 | 115.4 Ų | 115.4 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 176.2 | -72.9 | 174.4 | -178.7 | 0 | 0 | 112.3 | T150 R151 D157 R158 | T150-E154 WeakPolarHBondContact O-CG 3.36Å; T150-E154 PolarHBondContact O-N 3.33Å; R151-E154 PolarHBondContact O-N 3.44Å; E154-D157 PolarHBondContact O-N 3.3Å; E154-R158 WeakPolarHBondContact O-CB 3.45Å; E154-R158 PolarHBondContact O-N 3.33Å |
| 155 | D | 76.3 | Confident | 77.5 | Confident | 89 Ų | 89 | 114.1 Ų | 114.1 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.4 | -72.6 | -22.8 | 0 | 0 | 0 | 111.1 | R151 F153 R158 S159 | R151-D155 WeakPolarHBondContact O-CB 3.45Å; R151-D155 PolarHBondContact O-N 3.06Å; F153-D155 PolarHBondContact O-N 2.81Å; D155-R158 PolarHBondContact O-N 3.34Å; D155-S159 PolarHBondContact O-N 2.96Å; D155-S159 PolarHBondContact O-OG 3.1Å; D155-S159 VanDerWaalsContact O-OG 3.11Å |
| 156 | R | 75.8 | Confident | 77.4 | Confident | 182 Ų | 182 | 112.8 Ų | 112.8 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 174.5 | -78.8 | 175.7 | -176.9 | -178.7 | 4.3 | 112.4 | E152 F153 R158 S159 H160 | E152-R156 WeakPolarHBondContact O-CB 3.41Å; E152-R156 WeakPolarHBondContact O-CG 3.36Å; E152-R156 PolarHBondContact O-N 2.79Å; E152-R156 VanDerWaalsContact O-N 3.11Å; F153-R156 PolarHBondContact O-N 3.01Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-S159 PolarHBondContact O-N 2.92Å; R156-H160 VanDerWaalsContact O-CB 3.22Å; R156-H160 WeakPolarHBondContact O-CB 3.33Å; R156-H160 PolarHBondContact O-N 2.92Å |
| 157 | D | 73.9 | Confident | 77.6 | Confident | 96 Ų | 96 | 117.6 Ų | 117.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.3 | -168.5 | 59 | 0 | 0 | 0 | 111.1 | F153 E154 H160 R161 | F153-D157 WeakPolarHBondContact O-CB 3.06Å; F153-D157 PolarHBondContact O-N 3.21Å; E154-D157 PolarHBondContact O-N 3.3Å; D157-H160 PolarHBondContact O-N 3.41Å; D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 PolarHBondContact O-N 2.8Å |
| 158 | R | 78.3 | Confident | 77.8 | Confident | 146 Ų | 146 | 114.8 Ų | 114.8 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -50.8 | 173.9 | -169.8 | -172.9 | -57 | -174.7 | 5.1 | 112 | E154 D155 R156 H160 R161 E162 | E154-R158 WeakPolarHBondContact O-CB 3.45Å; E154-R158 PolarHBondContact O-N 3.33Å; D155-R158 PolarHBondContact O-N 3.34Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 2.93Å; R158-R161 WeakPolarHBondContact O-CB 3.35Å; R158-R161 PolarHBondContact O-N 3.38Å; R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 3.04Å |
| 159 | S | 77.2 | Confident | 77.9 | Confident | 60 Ų | 60 | 110.8 Ų | 110.8 | 42% | 0.42 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 177.8 | -62 | 0 | 0 | 0 | 0 | 111.9 | D155 R156 E162 E163 | D155-S159 PolarHBondContact O-N 2.96Å; D155-S159 PolarHBondContact O-OG 3.1Å; D155-S159 VanDerWaalsContact O-OG 3.11Å; R156-S159 PolarHBondContact O-N 2.92Å; S159-E162 PolarHBondContact O-N 3.35Å; S159-E163 WeakPolarHBondContact O-CB 3.43Å; S159-E163 WeakPolarHBondContact O-CG 3.28Å; S159-E163 PolarHBondContact O-N 3.32Å |
| 160 | H | 79 | Confident | 77.9 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 49% | 0.486 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 176.7 | -179.4 | -113.3 | 0 | 0 | 0 | 112.4 | R156 D157 R158 M164 | R156-H160 VanDerWaalsContact O-CB 3.22Å; R156-H160 WeakPolarHBondContact O-CB 3.33Å; R156-H160 PolarHBondContact O-N 2.92Å; D157-H160 PolarHBondContact O-N 3.41Å; R158-H160 VanDerWaalsContact C-N 3.29Å; R158-H160 PolarHBondContact O-N 2.93Å; H160-M164 WeakPolarHBondContact CE1-CE 3.46Å; H160-M164 WeakPolarHBondContact ND1-CE 3.38Å; H160-M164 PolarHBondContact O-N 3.38Å |
| 161 | R | 78.4 | Confident | 78 | Confident | 162 Ų | 162 | 110.6 Ų | 110.6 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -46.6 | 174.1 | -175.2 | 178.7 | 178.9 | 143.6 | 1.3 | 111.9 | D157 R158 E163 M164 E165 | D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 PolarHBondContact O-N 2.8Å; R158-R161 WeakPolarHBondContact O-CB 3.35Å; R158-R161 PolarHBondContact O-N 3.38Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-E163 PolarHBondContact O-N 3.28Å; R161-M164 PolarHBondContact O-N 2.81Å; R161-E165 IonicContact NE-OE1 2.75Å; R161-E165 PolarHBondContact NE-OE1 2.9Å; R161-E165 VanDerWaalsContact NE-OE1 3.15Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.05Å |
| 162 | E | 81.4 | Confident | 78.1 | Confident | 104 Ų | 104 | 110 Ų | 110 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176.7 | -72.3 | 172.8 | -174.1 | 0 | 0 | 111.3 | R158 S159 M164 E165 V166 | R158-E162 WeakPolarHBondContact O-CG 3.5Å; R158-E162 PolarHBondContact O-N 3.04Å; S159-E162 PolarHBondContact O-N 3.35Å; E162-M164 PolarHBondContact O-N 2.7Å; E162-E165 PolarHBondContact O-N 2.88Å; E162-V166 VanDerWaalsContact O-CG2 3.32Å; E162-V166 WeakPolarHBondContact O-CG2 3.14Å; E162-V166 PolarHBondContact O-N 2.82Å |
| 163 | E | 79.2 | Confident | 78 | Confident | 102 Ų | 102 | 109.3 Ų | 109.3 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 174.4 | -81.3 | -170.6 | -154.7 | 0 | 0 | 112.8 | S159 R161 V166 R167 | S159-E163 WeakPolarHBondContact O-CB 3.43Å; S159-E163 WeakPolarHBondContact O-CG 3.28Å; S159-E163 PolarHBondContact O-N 3.32Å; R161-E163 VanDerWaalsContact C-N 3.35Å; R161-E163 PolarHBondContact O-N 3.28Å; E163-V166 PolarHBondContact O-N 2.83Å; E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 2.96Å; E163-R167 IonicContact OE2-NH2 3.15Å; E163-R167 PolarHBondContact OE2-NH2 3.48Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å |
| 164 | M | 77.1 | Confident | 78 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 175 | -96.7 | -162.7 | -110.3 | 0 | 0 | 111.8 | H160 R161 E162 V166 R167 V168 | H160-M164 WeakPolarHBondContact CE1-CE 3.46Å; H160-M164 WeakPolarHBondContact ND1-CE 3.38Å; H160-M164 PolarHBondContact O-N 3.38Å; R161-M164 PolarHBondContact O-N 2.81Å; E162-M164 PolarHBondContact O-N 2.7Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.43Å; M164-R167 PolarHBondContact O-N 3.27Å; M164-V168 WeakPolarHBondContact O-CB 3.16Å; M164-V168 VanDerWaalsContact O-CG2 3.26Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 3.03Å |
| 165 | E | 79.1 | Confident | 77.7 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.3 | -72.9 | 175.6 | -170.7 | 0 | 0 | 111.6 | R161 E162 S169 | R161-E165 IonicContact NE-OE1 2.75Å; R161-E165 PolarHBondContact NE-OE1 2.9Å; R161-E165 VanDerWaalsContact NE-OE1 3.15Å; R161-E165 WeakPolarHBondContact O-CG 3.4Å; R161-E165 PolarHBondContact O-N 3.05Å; E162-E165 PolarHBondContact O-N 2.88Å; E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 2.95Å |
| 166 | V | 80.2 | Confident | 77 | Confident | 78 Ų | 78 | 102.5 Ų | 102.5 | 47% | 0.473 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | E162 E163 M164 V168 S169 Q170 | E162-V166 VanDerWaalsContact O-CG2 3.32Å; E162-V166 WeakPolarHBondContact O-CG2 3.14Å; E162-V166 PolarHBondContact O-N 2.82Å; E163-V166 PolarHBondContact O-N 2.83Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.43Å; V166-V168 PolarHBondContact O-N 3.47Å; V166-S169 PolarHBondContact O-N 3.05Å; V166-Q170 WeakPolarHBondContact O-CG 3.37Å; V166-Q170 PolarHBondContact O-N 3.1Å |
| 167 | R | 80 | Confident | 76.1 | Confident | 149 Ų | 149 | 101.7 Ų | 101.7 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 177.5 | -74.2 | -179.3 | -155.8 | -177.1 | 11.2 | 112 | E163 M164 Q170 L171 | E163-R167 WeakPolarHBondContact O-CG 3.46Å; E163-R167 PolarHBondContact O-N 2.96Å; E163-R167 IonicContact OE2-NH2 3.15Å; E163-R167 PolarHBondContact OE2-NH2 3.48Å; E163-R167 VanDerWaalsContact OE2-NH2 3.08Å; M164-R167 PolarHBondContact O-N 3.27Å; R167-Q170 PolarHBondContact O-N 3.13Å; R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.08Å |
| 168 | V | 79.6 | Confident | 75.3 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.485 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176.2 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | M164 V166 Q170 L171 L172 | M164-V168 WeakPolarHBondContact O-CB 3.16Å; M164-V168 VanDerWaalsContact O-CG2 3.26Å; M164-V168 WeakPolarHBondContact O-CG2 3.4Å; M164-V168 PolarHBondContact O-N 3.03Å; V166-V168 PolarHBondContact O-N 3.47Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 2.75Å; V168-L171 PolarHBondContact O-N 3.07Å; V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.44Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 2.78Å |
| 169 | S | 78.8 | Confident | 74.1 | Confident | 75 Ų | 75 | 103.6 Ų | 103.6 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | E165 V166 L172 A173 | E165-S169 WeakPolarHBondContact O-CB 3.36Å; E165-S169 PolarHBondContact O-N 3.44Å; E165-S169 PolarHBondContact O-OG 2.95Å; V166-S169 PolarHBondContact O-N 3.05Å; S169-L172 PolarHBondContact O-N 3.38Å; S169-A173 PolarHBondContact O-N 2.8Å |
| 170 | Q | 79.1 | Confident | 72.9 | Confident | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.5 | -43.7 | 175.2 | -73.4 | 175.9 | 4 | 0 | 0 | 112 | V166 R167 V168 A173 V174 | V166-Q170 WeakPolarHBondContact O-CG 3.37Å; V166-Q170 PolarHBondContact O-N 3.1Å; R167-Q170 PolarHBondContact O-N 3.13Å; V168-Q170 VanDerWaalsContact C-N 3.34Å; V168-Q170 PolarHBondContact O-N 2.75Å; Q170-A173 PolarHBondContact O-N 3.29Å; Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 3.45Å; Q170-V174 VanDerWaalsContact O-N 3.11Å |
| 171 | L | 77.2 | Confident | 71.5 | Confident | 117 Ų | 117 | 111.7 Ų | 111.7 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -43.9 | 177.1 | -76.7 | 164.8 | 0 | 0 | 0 | 111.9 | R167 V168 A173 V174 T175 | R167-L171 WeakPolarHBondContact O-CG 3.47Å; R167-L171 PolarHBondContact O-N 3.08Å; V168-L171 PolarHBondContact O-N 3.07Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.86Å; L171-V174 PolarHBondContact O-N 3.11Å; L171-T175 PolarHBondContact O-N 2.84Å; L171-T175 PolarHBondContact O-OG1 2.83Å |
| 172 | L | 78.4 | Confident | 70.3 | Confident | 114 Ų | 114 | 113.7 Ų | 113.7 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63 | -38.4 | 176.2 | -71.3 | 172.8 | 0 | 0 | 0 | 112.4 | V168 S169 V174 T175 G176 | V168-L172 HydrophobicContact CG1-CD1 4.01Å; V168-L172 HydrophobicContact CG1-CG 4.44Å; V168-L172 WeakPolarHBondContact O-CG 3.32Å; V168-L172 PolarHBondContact O-N 2.78Å; S169-L172 PolarHBondContact O-N 3.38Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.77Å; L172-T175 WeakPolarHBondContact CA-OG1 3.39Å; L172-T175 PolarHBondContact O-N 2.83Å; L172-T175 PolarHBondContact O-OG1 3.5Å; L172-T175 VanDerWaalsContact O-OG1 3.11Å; L172-G176 PolarHBondContact O-N 2.92Å |
| 173 | A | 77.5 | Confident | 69.7 | Low | 55 Ų | 55 | 114.2 Ų | 114.2 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.7 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S169 Q170 L171 K177 | S169-A173 PolarHBondContact O-N 2.8Å; Q170-A173 PolarHBondContact O-N 3.29Å; L171-A173 VanDerWaalsContact C-N 3.34Å; L171-A173 PolarHBondContact O-N 2.86Å; A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.67Å |
| 174 | V | 75.2 | Confident | 69.3 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.2 | -40 | 177 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | Q170 L171 L172 | Q170-V174 WeakPolarHBondContact O-CG2 3.4Å; Q170-V174 PolarHBondContact O-N 3.45Å; Q170-V174 VanDerWaalsContact O-N 3.11Å; L171-V174 PolarHBondContact O-N 3.11Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.77Å |
| 175 | T | 71.1 | Confident | 68.8 | Low | 81 Ų | 81 | 115.7 Ų | 115.7 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -73.6 | -39.5 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | L171 L172 K177 K178 | L171-T175 PolarHBondContact O-N 2.84Å; L171-T175 PolarHBondContact O-OG1 2.83Å; L172-T175 WeakPolarHBondContact CA-OG1 3.39Å; L172-T175 PolarHBondContact O-N 2.83Å; L172-T175 PolarHBondContact O-OG1 3.5Å; L172-T175 VanDerWaalsContact O-OG1 3.11Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.68Å; T175-K178 WeakPolarHBondContact O-CB 3.18Å; T175-K178 PolarHBondContact O-N 2.76Å |
| 176 | G | 60 | Low | 68.2 | Low | 40 Ų | 40 | 116.5 Ų | 116.5 | 41% | 0.412 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -61.8 | -31.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L172 K178 T179 | L172-G176 PolarHBondContact O-N 2.92Å; G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.09Å; G176-T179 PolarHBondContact O-OG1 3.37Å |
| 177 | K | 58 | Low | 67.5 | Low | 165 Ų | 165 | 118.9 Ų | 118.9 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -19.5 | 172.8 | -76.9 | 179.4 | -178.9 | -178 | 0 | 113.7 | A173 T175 T180 | A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.67Å; T175-K177 VanDerWaalsContact C-N 3.26Å; T175-K177 PolarHBondContact O-N 2.68Å; K177-T180 PolarHBondContact O-OG1 3.34Å |
| 178 | K | 56.5 | Low | 66.6 | Low | 163 Ų | 163 | 116.9 Ų | 116.9 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -19.6 | -179.2 | -76.5 | -174.8 | 178 | -178.3 | 0 | 113.6 | T175 G176 | T175-K178 WeakPolarHBondContact O-CB 3.18Å; T175-K178 PolarHBondContact O-N 2.76Å; G176-K178 VanDerWaalsContact C-N 3.28Å; G176-K178 PolarHBondContact O-N 3.09Å |
| 179 | T | 53.4 | Low | 65.7 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.724 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -87.2 | -9.8 | 179.7 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | G176 R181 | G176-T179 PolarHBondContact O-OG1 3.37Å; T179-R181 PolarHBondContact O-N 2.98Å |
| 180 | T | 51.3 | Low | 64.7 | Low | 112 Ų | 112 | 123 Ų | 123 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | trans | -93 | 70.1 | 166.9 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | K177 | K177-T180 PolarHBondContact O-OG1 3.34Š| ||
| 181 | R | 50 | Low | 63.5 | Low | 223 Ų | 223 | 123.3 Ų | 123.3 | 84% | 0.842 | 68% | 0.675 | S | S | * | * | trans | -126.7 | 126.4 | 154.6 | -89.2 | -172.7 | 174 | -169.6 | -2.2 | 107.7 | T179 | T179-R181 PolarHBondContact O-N 2.98Š| ||
| 182 | P | 53.3 | Low | 62.2 | Low | 204 Ų | 204 | 123.8 Ų | 123.8 | 100% | 1.325 | 68% | 0.681 | S | S | * | * | trans | -69.1 | 0 | -168.4 | 31.2 | -36.8 | 0 | 0 | 0 | 113 |
Retrieved 182 of 182 residues in 296.5 ms
(Link to these results)