| 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 | 27.1 | Very low | 57.9 | Low | 237 Ų | 237 | 88.5 Ų | 88.5 | 100% | 1.167 | 44% | 0.44 | S | S | * | . | 0 | 122.2 | 0 | -94.6 | 171 | -85.3 | 0 | 0 | 106.6 | A3 | M1-A3 PolarHBondContact O-N 2.76Š| |||
| 2 | W | 25.6 | Very low | 59.5 | Low | 253 Ų | 253 | 82.3 Ų | 82.3 | 96% | 0.958 | 41% | 0.414 | S | S | * | . | trans | -72.2 | 111.1 | -176.7 | -63.1 | 24.3 | 0 | 0 | 0 | 106.3 | Q4 | W2-Q4 PolarHBondContact O-N 2.84Å; W2-Q4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | A | 32.4 | Very low | 60.7 | Low | 81 Ų | 81 | 78.8 Ų | 78.8 | 67% | 0.669 | 41% | 0.411 | S | S | * | . | trans | -55.2 | 117.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | M1 E5 | M1-A3 PolarHBondContact O-N 2.76Å; A3-E5 PolarHBondContact O-N 2.79Å | ||
| 4 | Q | 49.6 | Very low | 62 | Low | 136 Ų | 136 | 80.7 Ų | 80.7 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | trans | -65.4 | 105.7 | 174.9 | -85.1 | -178.1 | -17.6 | 0 | 0 | 105.9 | W2 K6 | W2-Q4 PolarHBondContact O-N 2.84Å; W2-Q4 VanDerWaalsContact O-N 3.08Å; Q4-K6 PolarHBondContact O-N 3.07Å | ||
| 5 | E | 60.7 | Low | 62.7 | Low | 160 Ų | 160 | 76.3 Ų | 76.3 | 75% | 0.748 | 40% | 0.395 | S | S | * | . | trans | -54.1 | 114 | 169.3 | -74.2 | 179.4 | 171.9 | 0 | 0 | 106.9 | A3 R20 | A3-E5 PolarHBondContact O-N 2.79Å; E5-R20 VanDerWaalsContact C-NH2 3.35Å; E5-R20 VanDerWaalsContact O-CZ 3.23Å; E5-R20 PolarHBondContact O-NH1 3.26Å; E5-R20 PolarHBondContact O-NH2 2.68Å | ||
| 6 | K | 70.3 | Confident | 63.2 | Low | 35 Ų | 35 | 71.9 Ų | 71.9 | 15% | 0.152 | 37% | 0.373 | C | S | . | . | trans | -79.8 | 147.3 | 176.8 | -63.1 | 166.7 | -178.6 | -178.5 | 0 | 109 | Q4 G9 A12 R20 D90 C92 F93 | Q4-K6 PolarHBondContact O-N 3.07Å; K6-G9 WeakPolarHBondContact CB-O 3.47Å; K6-G9 WeakPolarHBondContact CD-O 3.47Å; K6-A12 HydrophobicContact CG-CB 4.38Å; K6-R20 PolarHBondContact O-NH2 3.03Å; K6-D90 VanDerWaalsContact CE-O 3.31Å; K6-D90 WeakPolarHBondContact CE-O 3.2Å; K6-D90 PolarHBondContact NZ-O 3.2Å; K6-C92 PolarHBondContact NZ-O 3.4Å; K6-F93 HydrophobicContact CD-CB 4.01Å; K6-F93 HydrophobicContact CD-CD1 4.29Å; K6-F93 HydrophobicContact CD-CG 4.45Å | ||
| 7 | Y | 71.4 | Confident | 63.5 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 7% | 0.071 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 126.7 | 173.9 | -178.1 | -98.4 | 0 | 0 | 0 | 107.9 | G9 I11 R19 R20 W128 E132 | Y7-G9 VanDerWaalsContact C-N 3.28Å; Y7-G9 PolarHBondContact O-N 3.24Å; Y7-I11 WeakPolarHBondContact CB-O 3.27Å; Y7-I11 HydrophobicContact CD1-CB 4.32Å; Y7-I11 HydrophobicContact CD1-CD1 4.44Å; Y7-I11 PolarHBondContact N-O 3.05Å; Y7-I11 VanDerWaalsContact O-CA 3.31Å; Y7-I11 WeakPolarHBondContact O-CA 3.45Å; Y7-I11 WeakPolarHBondContact O-CB 3.45Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.45Å; Y7-R19 HydrophobicContact CE1-CG 4.35Å; Y7-R19 VanDerWaalsContact CE1-NH1 3.35Å; Y7-R19 VanDerWaalsContact CZ-CZ 3.47Å; Y7-R19 PolarHBondContact OH-NE 3.15Å; Y7-R19 VanDerWaalsContact OH-NE 3.09Å; Y7-R19 PolarHBondContact OH-NH2 2.89Å; Y7-R20 HydrophobicContact CD2-CG 4.21Å; Y7-W128 AromaticContact CD1-CZ3 3.87Å; Y7-W128 HydrophobicContact CD1-CZ3 3.87Å; Y7-W128 HydrophobicContact CE1-CE3 4.37Å; Y7-W128 AromaticContact CE1-CZ3 3.88Å; Y7-W128 HydrophobicContact CE1-CZ3 3.88Å; Y7-E132 PolarHBondContact OH-OE1 3.25Å |
| 8 | Q | 70.9 | Confident | 63.8 | Low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.8 | -172.6 | -37.5 | -61.1 | -69.1 | 0 | 0 | 113 | D10 I11 H129 E132 D153 Q154 Y178 | Q8-D10 PolarHBondContact O-N 2.9Å; Q8-I11 HydrophobicContact CB-CD1 4.32Å; Q8-I11 HydrophobicContact CG-CD1 4.33Å; Q8-H129 PolarHBondContact O-CE1 3.35Å; Q8-E132 WeakPolarHBondContact CG-OE1 3.35Å; Q8-E132 PolarHBondContact NE2-OE1 3.08Å; Q8-E132 PolarHBondContact OE1-OE1 3.16Å; Q8-D153 PolarHBondContact NE2-O 2.77Å; Q8-Q154 VanDerWaalsContact CD-CA 3.49Å; Q8-Q154 VanDerWaalsContact NE2-CA 3.34Å; Q8-Q154 VanDerWaalsContact OE1-CA 3.24Å; Q8-Q154 PolarHBondContact OE1-O 3.4Å; Q8-Y178 WeakPolarHBondContact CA-OH 3.4Å; Q8-Y178 VanDerWaalsContact CB-OH 3.26Å; Q8-Y178 WeakPolarHBondContact CB-OH 3.25Å; Q8-Y178 PolarHBondContact O-OH 3.37Å |
| 9 | G | 73.4 | Confident | 63.8 | Low | 31 Ų | 31 | 70.4 Ų | 70.4 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -35.4 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | K6 Y7 | K6-G9 WeakPolarHBondContact CB-O 3.47Å; K6-G9 WeakPolarHBondContact CD-O 3.47Å; Y7-G9 VanDerWaalsContact C-N 3.28Å; Y7-G9 PolarHBondContact O-N 3.24Å |
| 10 | D | 80.7 | Confident | 63.7 | Low | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | 9.2 | -169.4 | 58.2 | 13.1 | 0 | 0 | 0 | 113.2 | Q8 F93 S94 H119 H123 H129 | Q8-D10 PolarHBondContact O-N 2.9Å; D10-F93 CarbonylContact O-C 3.54Å; D10-F93 WeakPolarHBondContact O-CA 3.5Å; D10-F93 WeakPolarHBondContact O-CB 2.96Å; D10-S94 PolarHBondContact O-N 2.75Å; D10-H119 IonicContact OD2-CD2 2.69Å; D10-H119 IonicContact OD2-NE2 3.71Å; D10-H119 PolarHBondContact OD2-NE2 2.84Å; D10-H123 IonicContact OD1-NE2 3.67Å; D10-H123 PolarHBondContact OD1-NE2 3.2Å; D10-H123 IonicContact OD2-NE2 3.18Å; D10-H129 IonicContact OD1-CE1 2.88Å; D10-H129 PolarHBondContact OD1-CE1 3.19Å; D10-H129 IonicContact OD1-NE2 2.77Å; D10-H129 PolarHBondContact OD1-NE2 3.04Å; D10-H129 IonicContact OD2-CE1 3.26Å; D10-H129 IonicContact OD2-NE2 2.83Å; D10-H129 PolarHBondContact OD2-NE2 3.12Å |
| 11 | I | 75 | Confident | 63.1 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -104.8 | 116.3 | 174.7 | -46.4 | -179.7 | 0 | 0 | 0 | 111.2 | Y7 Q8 A16 S94 V96 W128 | Y7-I11 WeakPolarHBondContact CB-O 3.27Å; Y7-I11 HydrophobicContact CD1-CB 4.32Å; Y7-I11 HydrophobicContact CD1-CD1 4.44Å; Y7-I11 PolarHBondContact N-O 3.05Å; Y7-I11 VanDerWaalsContact O-CA 3.31Å; Y7-I11 WeakPolarHBondContact O-CA 3.45Å; Y7-I11 WeakPolarHBondContact O-CB 3.45Å; Y7-I11 WeakPolarHBondContact O-CG1 3.39Å; Y7-I11 PolarHBondContact O-N 3.45Å; Q8-I11 HydrophobicContact CB-CD1 4.32Å; Q8-I11 HydrophobicContact CG-CD1 4.33Å; I11-A16 HydrophobicContact CG2-CB 4.16Å; I11-S94 VanDerWaalsContact CA-O 3.26Å; I11-S94 WeakPolarHBondContact CA-O 3.22Å; I11-S94 WeakPolarHBondContact CG2-O 3.29Å; I11-V96 HydrophobicContact CD1-CG2 3.89Å; I11-V96 HydrophobicContact CG1-CG2 4.44Å; I11-V96 HydrophobicContact CG2-CG2 3.72Å; I11-W128 HydrophobicContact CD1-CE3 3.38Å; I11-W128 HydrophobicContact CD1-CZ3 3.61Å; I11-W128 HydrophobicContact CG2-CZ3 3.9Å |
| 12 | A | 77 | Confident | 64.3 | Low | 15 Ų | 15 | 69.4 Ų | 69.4 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | trans | -140.5 | 139.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K6 F93 S94 D95 | K6-A12 HydrophobicContact CG-CB 4.38Å; A12-F93 HydrophobicContact CB-CD2 3.65Å; A12-F93 HydrophobicContact CB-CE2 3.98Å; A12-F93 HydrophobicContact CB-CG 4.18Å; A12-S94 PolarHBondContact N-O 3.1Å; A12-S94 CarbonylContact O-C 3.6Å; A12-D95 WeakPolarHBondContact O-CA 3.25Å; A12-D95 WeakPolarHBondContact O-CB 3.25Å; A12-D95 PolarHBondContact O-N 2.8Å; A12-D95 VanDerWaalsContact O-N 3.09Å | ||
| 13 | G | 75.6 | Confident | 65.3 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 137.5 | -160.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A16 V17 D95 | G13-A16 PolarHBondContact O-N 3.08Å; G13-V17 VanDerWaalsContact O-CG2 3.29Å; G13-V17 WeakPolarHBondContact O-CG2 3.45Å; G13-V17 PolarHBondContact O-N 3.07Å; G13-D95 VanDerWaalsContact CA-CG 3.48Å |
| 14 | K | 77.9 | Confident | 65.9 | Low | 105 Ų | 105 | 63.6 Ų | 63.6 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | -175.5 | -72 | 171.6 | 178.2 | 172.1 | 0 | 112.2 | R18 D95 G99 G100 | K14-R18 WeakPolarHBondContact O-CB 3.32Å; K14-R18 WeakPolarHBondContact O-CG 3.38Å; K14-R18 PolarHBondContact O-N 3.37Å; K14-D95 WeakPolarHBondContact CA-OD2 3.15Å; K14-D95 PolarHBondContact N-OD2 2.7Å; K14-G99 WeakPolarHBondContact CD-O 3.5Å; K14-G99 PolarHBondContact NZ-O 3.24Å; K14-G100 PolarHBondContact NZ-O 3.34Å |
| 15 | A | 72.8 | Confident | 65.5 | Low | 15 Ų | 15 | 59 Ų | 59 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V17 R18 R19 D95 V96 W128 | A15-V17 PolarHBondContact O-N 2.83Å; A15-R18 PolarHBondContact O-N 3.23Å; A15-R19 WeakPolarHBondContact O-CB 3.44Å; A15-R19 PolarHBondContact O-N 2.95Å; A15-D95 WeakPolarHBondContact CA-OD1 3.27Å; A15-D95 WeakPolarHBondContact CB-OD1 3.4Å; A15-D95 VanDerWaalsContact N-CG 3.34Å; A15-D95 PolarHBondContact N-OD1 3.28Å; A15-D95 PolarHBondContact N-OD2 3.36Å; A15-V96 HydrophobicContact CB-CB 4.3Å; A15-V96 WeakPolarHBondContact CB-O 3.44Å; A15-W128 HydrophobicContact CB-CH2 4.33Å; A15-W128 HydrophobicContact CB-CZ2 4.39Å |
| 16 | A | 71.3 | Confident | 64.5 | Low | 5 Ų | 5 | 52.3 Ų | 52.3 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I11 G13 R19 R20 D95 | I11-A16 HydrophobicContact CG2-CB 4.16Å; G13-A16 PolarHBondContact O-N 3.08Å; A16-R19 PolarHBondContact O-N 3.07Å; A16-R20 PolarHBondContact O-N 3.16Å; A16-D95 PolarHBondContact N-OD1 2.93Å; A16-D95 VanDerWaalsContact N-OD1 3.15Å |
| 17 | V | 68.3 | Low | 63.4 | Low | 79 Ų | 79 | 50.7 Ų | 50.7 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | G13 A15 R19 R20 L21 | G13-V17 VanDerWaalsContact O-CG2 3.29Å; G13-V17 WeakPolarHBondContact O-CG2 3.45Å; G13-V17 PolarHBondContact O-N 3.07Å; A15-V17 PolarHBondContact O-N 2.83Å; V17-R19 PolarHBondContact O-N 3.28Å; V17-R20 PolarHBondContact O-N 2.72Å; V17-L21 HydrophobicContact CG1-CD1 3.95Å; V17-L21 WeakPolarHBondContact O-CG 3.11Å; V17-L21 PolarHBondContact O-N 3.46Å; V17-L21 VanDerWaalsContact O-N 3.12Å |
| 18 | R | 68.2 | Low | 62.5 | Low | 93 Ų | 93 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -36.4 | 176 | -76.2 | 171.1 | -176.4 | 177.1 | 8.1 | 111.5 | K14 A15 K22 D36 | K14-R18 WeakPolarHBondContact O-CB 3.32Å; K14-R18 WeakPolarHBondContact O-CG 3.38Å; K14-R18 PolarHBondContact O-N 3.37Å; A15-R18 PolarHBondContact O-N 3.23Å; R18-K22 WeakPolarHBondContact O-CB 3.4Å; R18-K22 VanDerWaalsContact O-CG 3.27Å; R18-K22 WeakPolarHBondContact O-CG 3.44Å; R18-K22 PolarHBondContact O-N 3Å; R18-D36 IonicContact NH1-OD1 3.01Å; R18-D36 PolarHBondContact NH1-OD1 2.74Å |
| 19 | R | 63.9 | Low | 62 | Low | 16 Ų | 16 | 53 Ų | 53 | 6% | 0.06 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.1 | -44.3 | 179 | -169.3 | 166.6 | 175.2 | -163.9 | -15.1 | 112.3 | Y7 A15 A16 V17 L21 K22 W128 E132 G156 K157 A158 | Y7-R19 HydrophobicContact CE1-CG 4.35Å; Y7-R19 VanDerWaalsContact CE1-NH1 3.35Å; Y7-R19 VanDerWaalsContact CZ-CZ 3.47Å; Y7-R19 PolarHBondContact OH-NE 3.15Å; Y7-R19 VanDerWaalsContact OH-NE 3.09Å; Y7-R19 PolarHBondContact OH-NH2 2.89Å; A15-R19 WeakPolarHBondContact O-CB 3.44Å; A15-R19 PolarHBondContact O-N 2.95Å; A16-R19 PolarHBondContact O-N 3.07Å; V17-R19 PolarHBondContact O-N 3.28Å; R19-L21 PolarHBondContact O-N 3.45Å; R19-K22 CarbonylContact O-C 3.52Å; R19-K22 PolarHBondContact O-N 2.89Å; R19-W128 HydrophobicContact CB-CH2 4.29Å; R19-W128 VanDerWaalsContact CD-CH2 3.49Å; R19-W128 VanDerWaalsContact NH1-CZ3 3.27Å; R19-E132 IonicContact CZ-OE1 3.16Å; R19-E132 IonicContact CZ-OE2 2.67Å; R19-E132 VanDerWaalsContact NH1-CD 3.34Å; R19-E132 IonicContact NH1-OE1 3.75Å; R19-E132 PolarHBondContact NH1-OE1 3.37Å; R19-E132 IonicContact NH1-OE2 4Å; R19-E132 PolarHBondContact NH1-OE2 2.76Å; R19-E132 IonicContact NH2-OE1 3.6Å; R19-E132 PolarHBondContact NH2-OE1 3.12Å; R19-E132 IonicContact NH2-OE2 2.64Å; R19-G156 PolarHBondContact NH2-O 2.9Å; R19-K157 PolarHBondContact NH2-O 2.67Å; R19-A158 VanDerWaalsContact CZ-CA 3.4Å |
| 20 | R | 61 | Low | 61.4 | Low | 108 Ų | 108 | 51.5 Ų | 51.5 | 41% | 0.408 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.3 | -37.3 | 173.4 | -78.1 | -175.2 | 169.2 | 162.5 | 3.4 | 112.8 | E5 K6 Y7 A16 V17 K22 | E5-R20 VanDerWaalsContact C-NH2 3.35Å; E5-R20 VanDerWaalsContact O-CZ 3.23Å; E5-R20 PolarHBondContact O-NH1 3.26Å; E5-R20 PolarHBondContact O-NH2 2.68Å; K6-R20 PolarHBondContact O-NH2 3.03Å; Y7-R20 HydrophobicContact CD2-CG 4.21Å; A16-R20 PolarHBondContact O-N 3.16Å; V17-R20 PolarHBondContact O-N 2.72Å; R20-K22 VanDerWaalsContact C-N 3.28Å; R20-K22 PolarHBondContact O-N 3.12Å |
| 21 | L | 52.2 | Low | 60.9 | Low | 143 Ų | 143 | 50.7 Ų | 50.7 | 75% | 0.749 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.3 | 178.9 | -65.1 | 172.8 | 0 | 0 | 0 | 113.7 | V17 R19 | V17-L21 HydrophobicContact CG1-CD1 3.95Å; V17-L21 WeakPolarHBondContact O-CG 3.11Å; V17-L21 PolarHBondContact O-N 3.46Å; V17-L21 VanDerWaalsContact O-N 3.12Å; R19-L21 PolarHBondContact O-N 3.45Å |
| 22 | K | 51.6 | Low | 60.5 | Low | 105 Ų | 105 | 56.6 Ų | 56.6 | 46% | 0.457 | 28% | 0.283 | S | S | . | . | trans | -123 | 82.7 | -175.6 | -70.4 | -178.8 | -172.5 | 178.4 | 0 | 111.4 | R18 R19 R20 R24 E162 | R18-K22 WeakPolarHBondContact O-CB 3.4Å; R18-K22 VanDerWaalsContact O-CG 3.27Å; R18-K22 WeakPolarHBondContact O-CG 3.44Å; R18-K22 PolarHBondContact O-N 3Å; R19-K22 CarbonylContact O-C 3.52Å; R19-K22 PolarHBondContact O-N 2.89Å; R20-K22 VanDerWaalsContact C-N 3.28Å; R20-K22 PolarHBondContact O-N 3.12Å; K22-R24 PolarHBondContact O-N 3.2Å; K22-R24 VanDerWaalsContact O-N 3.16Å; K22-E162 IonicContact NZ-OE1 3.81Å; K22-E162 PolarHBondContact NZ-OE1 3.03Å | ||
| 23 | V | 46.2 | Very low | 60.1 | Low | 100 Ų | 100 | 58.6 Ų | 58.6 | 61% | 0.606 | 29% | 0.29 | S | S | * | . | trans | -73.8 | 101.1 | 160.9 | -174.9 | 0 | 0 | 0 | 0 | 106.7 | L288 | V23-L288 HydrophobicContact CG1-CD1 4.41Š| ||
| 24 | R | 45.6 | Very low | 59.9 | Low | 112 Ų | 112 | 62.6 Ų | 62.6 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | trans | 159.7 | 125.1 | 155.1 | -85.7 | 152.2 | -164 | -137.3 | 4.1 | 112.7 | K22 N159 L288 I289 | K22-R24 PolarHBondContact O-N 3.2Å; K22-R24 VanDerWaalsContact O-N 3.16Å; R24-N159 PolarHBondContact O-ND2 3.17Å; R24-L288 PolarHBondContact NH1-O 3.2Å; R24-L288 PolarHBondContact NH2-O 2.52Å; R24-I289 HydrophobicContact CB-CG2 4.21Å; R24-I289 VanDerWaalsContact CD-CG2 3.42Å; R24-I289 HydrophobicContact CG-CG2 3.41Å; R24-I289 VanDerWaalsContact CG-CG2 3.41Å | ||
| 25 | G | 41.2 | Very low | 60 | Low | 39 Ų | 39 | 62.5 Ų | 62.5 | 40% | 0.402 | 31% | 0.307 | S | S | . | . | trans | 147.6 | 146.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | V | 40.3 | Very low | 60.4 | Low | 21 Ų | 21 | 62.6 Ų | 62.6 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | trans | -65.1 | 161.9 | 164.4 | 159.8 | 0 | 0 | 0 | 0 | 107.6 | W134 A158 N159 L160 L305 | V26-W134 HydrophobicContact CB-CB 4.25Å; V26-W134 HydrophobicContact CG1-CB 3.29Å; V26-W134 HydrophobicContact CG1-CD2 3.48Å; V26-W134 VanDerWaalsContact CG1-CD2 3.48Å; V26-W134 HydrophobicContact CG1-CE3 3.83Å; V26-W134 HydrophobicContact CG1-CG 3.23Å; V26-A158 CarbonylContact C-O 3.47Å; V26-N159 CarbonylContact O-C 3.6Å; V26-N159 WeakPolarHBondContact O-CA 3.15Å; V26-L160 VanDerWaalsContact C-CD2 3.45Å; V26-L160 HydrophobicContact CB-CD1 3.67Å; V26-L160 HydrophobicContact CB-CD2 3.97Å; V26-L160 HydrophobicContact CB-CG 3.5Å; V26-L160 HydrophobicContact CG1-CD1 3.71Å; V26-L160 HydrophobicContact CG1-CD2 3.56Å; V26-L160 HydrophobicContact CG1-CG 3.64Å; V26-L160 VanDerWaalsContact O-CA 3.22Å; V26-L160 WeakPolarHBondContact O-CA 3.47Å; V26-L160 VanDerWaalsContact O-CB 3.25Å; V26-L160 WeakPolarHBondContact O-CB 3.31Å; V26-L160 WeakPolarHBondContact O-CD2 3.29Å; V26-L160 WeakPolarHBondContact O-CG 3.48Å; V26-L160 PolarHBondContact O-N 3.03Å; V26-L305 HydrophobicContact CB-CD1 3.81Å; V26-L305 HydrophobicContact CB-CD2 4.39Å; V26-L305 HydrophobicContact CG1-CD1 4.46Å; V26-L305 HydrophobicContact CG1-CD2 4.23Å; V26-L305 HydrophobicContact CG2-CD1 3.15Å; V26-L305 HydrophobicContact CG2-CD2 3.63Å; V26-L305 HydrophobicContact CG2-CG 3.99Å | ||
| 27 | A | 46 | Very low | 61.3 | Low | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -121.7 | 124.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | E132 R133 W134 K157 A158 F165 | A27-E132 WeakPolarHBondContact CB-O 3.26Å; A27-R133 CarbonylContact O-C 3.59Å; A27-W134 HydrophobicContact CB-CB 3.78Å; A27-W134 WeakPolarHBondContact O-CA 3.35Å; A27-W134 WeakPolarHBondContact O-CB 2.98Å; A27-W134 PolarHBondContact O-N 3.06Å; A27-K157 HydrophobicContact CB-CB 3.63Å; A27-A158 WeakPolarHBondContact CA-O 3.37Å; A27-A158 HydrophobicContact CB-CB 3.63Å; A27-A158 WeakPolarHBondContact CB-O 3.12Å; A27-A158 PolarHBondContact N-O 2.93Å; A27-F165 WeakPolarHBondContact O-CE1 3.16Å; A27-F165 VanDerWaalsContact O-CZ 3.23Å; A27-F165 WeakPolarHBondContact O-CZ 3.45Å | ||
| 28 | R | 53.9 | Low | 62.6 | Low | 66 Ų | 66 | 61 Ų | 61 | 25% | 0.249 | 29% | 0.291 | C | S | . | . | trans | -108.3 | 169.1 | 168.5 | -63.6 | 170.5 | -161.9 | 165.3 | -2.7 | 111 | A158 L160 S163 D164 F165 | R28-A158 VanDerWaalsContact O-CB 3.24Å; R28-A158 WeakPolarHBondContact O-CB 3.23Å; R28-L160 HydrophobicContact CG-CD2 3.56Å; R28-S163 WeakPolarHBondContact CA-OG 3.13Å; R28-S163 WeakPolarHBondContact CB-O 3.46Å; R28-S163 WeakPolarHBondContact CB-OG 3.49Å; R28-S163 VanDerWaalsContact CD-O 3.31Å; R28-S163 WeakPolarHBondContact CD-O 3.26Å; R28-S163 PolarHBondContact N-OG 3.42Å; R28-S163 WeakPolarHBondContact O-CB 3.2Å; R28-S163 PolarHBondContact O-OG 2.97Å; R28-D164 VanDerWaalsContact CB-C 3.49Å; R28-D164 VanDerWaalsContact CB-N 3.27Å; R28-D164 IonicContact NH1-OD2 2.65Å; R28-F165 HydrophobicContact CB-CD1 3.73Å; R28-F165 HydrophobicContact CB-CE1 3.78Å; R28-F165 HydrophobicContact CB-CG 4.22Å; R28-F165 HydrophobicContact CB-CZ 4.33Å; R28-F165 HydrophobicContact CG-CD1 4Å; R28-F165 HydrophobicContact CG-CD2 4.1Å; R28-F165 HydrophobicContact CG-CE1 3.94Å; R28-F165 HydrophobicContact CG-CE2 4.11Å; R28-F165 HydrophobicContact CG-CG 4.07Å; R28-F165 HydrophobicContact CG-CZ 3.99Å | ||
| 29 | N | 59.7 | Low | 63.8 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -108.2 | 0.6 | -168 | 78.4 | -35 | 0 | 0 | 0 | 116.7 | F127 W128 E130 R133 D164 F165 K215 | N29-F127 CarbonylContact O-C 3.44Å; N29-F127 VanDerWaalsContact O-CA 3.27Å; N29-F127 WeakPolarHBondContact O-CA 3.35Å; N29-F127 VanDerWaalsContact O-CD1 3.27Å; N29-F127 WeakPolarHBondContact O-CD1 3.47Å; N29-W128 PolarHBondContact O-N 2.93Å; N29-E130 PolarHBondContact ND2-OE2 2.81Å; N29-R133 HydrophobicContact CB-CG 3.9Å; N29-D164 PolarHBondContact N-O 3.45Å; N29-D164 PolarHBondContact OD1-O 3.19Å; N29-F165 HydrophobicContact CB-CD1 4.44Å; N29-K215 WeakPolarHBondContact ND2-CE 3.31Å; N29-K215 PolarHBondContact ND2-NZ 3.18Å |
| 30 | G | 61.5 | Low | 65.1 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R32 G126 S163 D164 | G30-R32 PolarHBondContact O-N 2.68Å; G30-G126 CarbonylContact C-O 3.45Å; G30-G126 VanDerWaalsContact CA-O 3.26Å; G30-G126 WeakPolarHBondContact CA-O 3.45Å; G30-S163 CarbonylContact O-C 3.53Å; G30-S163 VanDerWaalsContact O-C 3.25Å; G30-S163 WeakPolarHBondContact O-CA 3.27Å; G30-S163 WeakPolarHBondContact O-CB 3.27Å; G30-D164 PolarHBondContact N-O 3.47Å; G30-D164 PolarHBondContact O-N 3.17Å |
| 31 | V | 68.8 | Low | 66.8 | Low | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 128.5 | -171.2 | -68.3 | 0 | 0 | 0 | 0 | 112.9 | D36 K37 V96 G126 E162 Y166 M219 | V31-D36 HydrophobicContact CB-CB 4.1Å; V31-D36 HydrophobicContact CG1-CB 4.15Å; V31-K37 HydrophobicContact CG2-CG 4.03Å; V31-K37 WeakPolarHBondContact O-CE 3.34Å; V31-V96 HydrophobicContact CG1-CG1 3.77Å; V31-G126 WeakPolarHBondContact CG1-O 3.22Å; V31-G126 PolarHBondContact N-O 3.1Å; V31-E162 CarbonylContact C-O 3.49Å; V31-E162 VanDerWaalsContact CA-O 3.28Å; V31-E162 WeakPolarHBondContact CA-O 3.41Å; V31-Y166 PolarHBondContact O-OH 3.46Å; V31-M219 HydrophobicContact CG2-CE 4.19Å; V31-M219 HydrophobicContact CG2-SD 3.72Å |
| 32 | R | 67.5 | Low | 68.9 | Low | 124 Ų | 124 | 59.8 Ų | 59.8 | 47% | 0.468 | 30% | 0.303 | S | S | . | . | trans | -93.4 | -42.7 | -176 | -176.6 | 178.3 | 164.1 | -159.1 | -5.5 | 113.1 | G30 L160 E162 | G30-R32 PolarHBondContact O-N 2.68Å; R32-L160 PolarHBondContact NH1-O 3.5Å; R32-E162 PolarHBondContact N-O 2.86Å | ||
| 33 | M | 68.7 | Low | 71.1 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 28% | 0.281 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.2 | 132.8 | -174.4 | -65.1 | -174 | -79.5 | 0 | 0 | 110.3 | K35 D36 E162 | M33-K35 HydrophobicContact CB-CG 3.98Å; M33-K35 PolarHBondContact O-N 3.37Å; M33-K35 VanDerWaalsContact O-N 3.14Å; M33-K35 VanDerWaalsContact SD-CE 3.57Å; M33-D36 WeakPolarHBondContact CB-OD2 3.47Å; M33-D36 WeakPolarHBondContact CE-OD2 3.47Å; M33-D36 PolarHBondContact O-N 2.91Å; M33-E162 HydrophobicContact CE-CB 4.44Å; M33-E162 HydrophobicContact CE-CG 3.85Å |
| 34 | T | 71.3 | Confident | 73.6 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -55.8 | -32.8 | 179.1 | 49.4 | 0 | 0 | 0 | 0 | 112.6 | D36 K37 | T34-D36 PolarHBondContact O-N 3.11Å; T34-K37 PolarHBondContact O-N 2.7Å; T34-K37 VanDerWaalsContact O-N 3.17Å |
| 35 | K | 79.4 | Confident | 76.1 | Confident | 103 Ų | 103 | 47.2 Ų | 47.2 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -63.9 | -26.8 | 175.9 | 70.6 | 174 | -172.3 | 179.1 | 0 | 113.5 | M33 K37 R98 | M33-K35 HydrophobicContact CB-CG 3.98Å; M33-K35 PolarHBondContact O-N 3.37Å; M33-K35 VanDerWaalsContact O-N 3.14Å; M33-K35 VanDerWaalsContact SD-CE 3.57Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K35-R98 VanDerWaalsContact O-CZ 3.23Å; K35-R98 PolarHBondContact O-NE 3.38Å; K35-R98 PolarHBondContact O-NH2 3.41Å |
| 36 | D | 82.8 | Confident | 78.9 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -93.3 | -0.5 | -179.5 | -54.1 | -42.3 | 0 | 0 | 0 | 110.9 | R18 V31 M33 T34 G97 R98 | R18-D36 IonicContact NH1-OD1 3.01Å; R18-D36 PolarHBondContact NH1-OD1 2.74Å; V31-D36 HydrophobicContact CB-CB 4.1Å; V31-D36 HydrophobicContact CG1-CB 4.15Å; M33-D36 WeakPolarHBondContact CB-OD2 3.47Å; M33-D36 WeakPolarHBondContact CE-OD2 3.47Å; M33-D36 PolarHBondContact O-N 2.91Å; T34-D36 PolarHBondContact O-N 3.11Å; D36-G97 CarbonylContact O-C 3.4Å; D36-G97 WeakPolarHBondContact O-CA 3.3Å; D36-R98 PolarHBondContact O-N 2.82Å |
| 37 | K | 89.1 | Confident | 81.6 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -88.7 | 152.4 | 169.3 | -59.9 | -177.2 | -176.9 | -171.4 | 0 | 110.5 | V31 T34 K35 R98 M219 Y220 | V31-K37 HydrophobicContact CG2-CG 4.03Å; V31-K37 WeakPolarHBondContact O-CE 3.34Å; T34-K37 PolarHBondContact O-N 2.7Å; T34-K37 VanDerWaalsContact O-N 3.17Å; K35-K37 VanDerWaalsContact C-N 3.32Å; K37-R98 PolarHBondContact O-NE 3.13Å; K37-M219 HydrophobicContact CD-CG 4.28Å; K37-M219 PolarHBondContact NZ-O 2.94Å; K37-Y220 HydrophobicContact CB-CE1 4.43Å |
| 38 | W | 95.1 | Very high | 83.9 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 129.2 | 172.1 | -67.3 | 93.1 | 0 | 0 | 0 | 110.9 | E42 I43 D82 L84 R98 A124 Y220 | W38-E42 WeakPolarHBondContact CB-O 3.49Å; W38-I43 HydrophobicContact CB-CG1 3.9Å; W38-I43 HydrophobicContact CD2-CB 4.31Å; W38-I43 HydrophobicContact CD2-CG1 3.98Å; W38-I43 HydrophobicContact CD2-CG2 3.98Å; W38-I43 HydrophobicContact CE3-CG2 4.24Å; W38-I43 HydrophobicContact CG-CB 4.43Å; W38-I43 HydrophobicContact CG-CD1 4.05Å; W38-I43 HydrophobicContact CG-CG1 3.61Å; W38-I43 HydrophobicContact CG-CG2 4.49Å; W38-I43 HydrophobicContact CH2-CG2 4.34Å; W38-I43 HydrophobicContact CZ2-CG2 4.07Å; W38-I43 HydrophobicContact CZ3-CG2 4.41Å; W38-D82 HydrophobicContact CZ3-CB 4.12Å; W38-L84 HydrophobicContact CH2-CD2 4.2Å; W38-L84 HydrophobicContact CH2-CG 4.28Å; W38-L84 HydrophobicContact CZ2-CD2 3.84Å; W38-L84 HydrophobicContact CZ2-CG 4.14Å; W38-R98 HydrophobicContact CD2-CB 3.85Å; W38-R98 HydrophobicContact CD2-CG 3.99Å; W38-R98 HydrophobicContact CE3-CB 4.33Å; W38-R98 HydrophobicContact CE3-CG 3.93Å; W38-R98 HydrophobicContact CG-CB 4.14Å; W38-R98 HydrophobicContact CH2-CG 4.15Å; W38-R98 HydrophobicContact CZ2-CB 4.18Å; W38-R98 HydrophobicContact CZ2-CG 4.2Å; W38-R98 HydrophobicContact CZ3-CG 4.02Å; W38-A124 PolarHBondContact NE1-O 2.77Å; W38-Y220 HydrophobicContact CB-CE1 4.46Å |
| 39 | P | 93.1 | Very high | 85.8 | Confident | 74 Ų | 74 | 53.4 Ų | 53.4 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -59.8 | 146.8 | 179 | -23.6 | 33.6 | 0 | 0 | 0 | 112.4 | N41 E42 | P39-N41 PolarHBondContact O-N 3.09Å; P39-E42 PolarHBondContact O-N 3.25Å |
| 40 | N | 93.1 | Very high | 87.3 | Confident | 139 Ų | 139 | 61.3 Ų | 61.3 | 74% | 0.743 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | 55.8 | 17.3 | 177.1 | -52.3 | -34.2 | 0 | 0 | 0 | 114.9 | E42 | N40-E42 HydrophobicContact CB-CG 4.41Å; N40-E42 PolarHBondContact O-N 2.79Å |
| 41 | N | 94.9 | Very high | 88.9 | Confident | 44 Ų | 44 | 61.8 Ų | 61.8 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | 60.9 | 16.9 | -172.6 | -43.5 | -18.7 | 0 | 0 | 0 | 112.6 | P39 C71 V72 R73 Y220 | P39-N41 PolarHBondContact O-N 3.09Å; N41-C71 WeakPolarHBondContact CB-O 3.1Å; N41-C71 PolarHBondContact ND2-SG 3.05Å; N41-V72 CarbonylContact O-C 3.58Å; N41-V72 WeakPolarHBondContact O-CA 3.31Å; N41-R73 PolarHBondContact O-N 3.42Å; N41-Y220 HydrophobicContact CB-CD1 3.96Å; N41-Y220 PolarHBondContact ND2-O 2.96Å; N41-Y220 VanDerWaalsContact OD1-CD1 3.25Å; N41-Y220 WeakPolarHBondContact OD1-CD1 3.49Å |
| 42 | E | 97.5 | Very high | 90.2 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130 | -179.2 | -71.8 | -174.7 | 175 | 0 | 0 | 110.7 | W38 P39 N40 P44 R73 V75 | W38-E42 WeakPolarHBondContact CB-O 3.49Å; P39-E42 PolarHBondContact O-N 3.25Å; N40-E42 HydrophobicContact CB-CG 4.41Å; N40-E42 PolarHBondContact O-N 2.79Å; E42-P44 WeakPolarHBondContact O-CD 3.34Å; E42-R73 CarbonylContact C-O 3.56Å; E42-R73 VanDerWaalsContact CA-O 3.3Å; E42-R73 WeakPolarHBondContact CA-O 3.42Å; E42-R73 HydrophobicContact CG-CB 4.29Å; E42-V75 HydrophobicContact CB-CG2 4.24Å; E42-V75 HydrophobicContact CG-CG1 4.37Å |
| 43 | I | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 96.2 | 175.9 | -51.6 | -172.8 | 0 | 0 | 0 | 107.3 | W38 V72 R73 F74 V75 L84 V125 | W38-I43 HydrophobicContact CB-CG1 3.9Å; W38-I43 HydrophobicContact CD2-CB 4.31Å; W38-I43 HydrophobicContact CD2-CG1 3.98Å; W38-I43 HydrophobicContact CD2-CG2 3.98Å; W38-I43 HydrophobicContact CE3-CG2 4.24Å; W38-I43 HydrophobicContact CG-CB 4.43Å; W38-I43 HydrophobicContact CG-CD1 4.05Å; W38-I43 HydrophobicContact CG-CG1 3.61Å; W38-I43 HydrophobicContact CG-CG2 4.49Å; W38-I43 HydrophobicContact CH2-CG2 4.34Å; W38-I43 HydrophobicContact CZ2-CG2 4.07Å; W38-I43 HydrophobicContact CZ3-CG2 4.41Å; I43-V72 HydrophobicContact CD1-CG1 3.78Å; I43-V72 HydrophobicContact CG1-CG1 4.1Å; I43-R73 PolarHBondContact N-O 2.79Å; I43-F74 HydrophobicContact CB-CD1 3.8Å; I43-F74 HydrophobicContact CB-CE1 3.91Å; I43-F74 HydrophobicContact CD1-CD1 4.45Å; I43-F74 HydrophobicContact CD1-CE1 3.74Å; I43-F74 HydrophobicContact CD1-CZ 4.01Å; I43-F74 HydrophobicContact CG1-CE1 4.32Å; I43-F74 HydrophobicContact CG2-CD1 3.99Å; I43-F74 HydrophobicContact CG2-CE1 3.91Å; I43-F74 WeakPolarHBondContact O-CA 3.07Å; I43-V75 PolarHBondContact O-N 3.02Å; I43-V75 VanDerWaalsContact O-N 3.09Å; I43-L84 HydrophobicContact CG2-CD1 3.46Å; I43-L84 VanDerWaalsContact CG2-CD1 3.46Å; I43-L84 HydrophobicContact CG2-CG 3.71Å; I43-V125 HydrophobicContact CD1-CG2 3.73Å |
| 44 | P | 98.5 | Very high | 92.8 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.045 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 136.3 | 176.5 | -19.7 | 32.5 | 0 | 0 | 0 | 110.3 | E42 V75 R77 Q80 Y83 L84 | E42-P44 WeakPolarHBondContact O-CD 3.34Å; P44-V75 CarbonylContact C-O 3.54Å; P44-V75 VanDerWaalsContact CA-O 3.23Å; P44-V75 WeakPolarHBondContact CA-O 3.26Å; P44-V75 HydrophobicContact CB-CG2 4.36Å; P44-V75 HydrophobicContact CG-CG2 4.33Å; P44-R77 HydrophobicContact CB-CB 4.03Å; P44-R77 HydrophobicContact CB-CG 4.15Å; P44-Q80 HydrophobicContact CB-CB 4.04Å; P44-Q80 HydrophobicContact CB-CG 4.09Å; P44-Q80 HydrophobicContact CG-CB 3.7Å; P44-Q80 HydrophobicContact CG-CG 3.53Å; P44-Y83 CarbonylContact O-C 3.48Å; P44-Y83 VanDerWaalsContact O-CA 3.26Å; P44-Y83 WeakPolarHBondContact O-CA 3.33Å; P44-Y83 WeakPolarHBondContact O-CB 3.4Å; P44-L84 PolarHBondContact O-N 3.48Å |
| 45 | Y | 98.6 | Very high | 94 | Very high | 45 Ų | 45 | 65 Ų | 65 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.9 | 178.3 | 74.3 | -88.5 | 0 | 0 | 0 | 113.6 | L47 M63 F74 V75 P76 R77 L84 I86 | Y45-L47 HydrophobicContact CD2-CD2 3.78Å; Y45-L47 HydrophobicContact CD2-CG 3.87Å; Y45-L47 HydrophobicContact CE2-CD1 4.13Å; Y45-L47 HydrophobicContact CE2-CD2 3.9Å; Y45-L47 HydrophobicContact CE2-CG 3.68Å; Y45-M63 HydrophobicContact CD1-CE 3.97Å; Y45-M63 HydrophobicContact CD1-SD 4.25Å; Y45-M63 HydrophobicContact CD2-CE 3.98Å; Y45-M63 HydrophobicContact CE1-CE 4.08Å; Y45-M63 HydrophobicContact CE1-SD 3.8Å; Y45-M63 HydrophobicContact CE2-CE 4.1Å; Y45-M63 HydrophobicContact CE2-SD 4.32Å; Y45-M63 HydrophobicContact CG-CE 3.92Å; Y45-F74 HydrophobicContact CD1-CB 3.95Å; Y45-F74 HydrophobicContact CE1-CB 4.01Å; Y45-V75 VanDerWaalsContact CD1-C 3.49Å; Y45-V75 WeakPolarHBondContact CD1-O 2.94Å; Y45-V75 VanDerWaalsContact CE1-C 3.43Å; Y45-V75 PolarHBondContact N-O 3.44Å; Y45-P76 HydrophobicContact CE1-CG 4.46Å; Y45-R77 WeakPolarHBondContact O-CB 3.05Å; Y45-R77 PolarHBondContact O-N 3.24Å; Y45-L84 CarbonylContact C-O 3.48Å; Y45-L84 WeakPolarHBondContact CA-O 3.38Å; Y45-I86 HydrophobicContact CD2-CD1 4.32Å; Y45-I86 HydrophobicContact CG-CD1 4.34Å |
| 46 | V | 98.2 | Very high | 94.8 | Very high | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.2 | 166 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | R77 Y83 L84 Y85 I86 | V46-R77 HydrophobicContact CG2-CB 3.8Å; V46-R77 HydrophobicContact CG2-CG 4.42Å; V46-Y83 HydrophobicContact CB-CD2 4.49Å; V46-Y83 HydrophobicContact CB-CE2 4.4Å; V46-Y83 HydrophobicContact CG2-CD2 3.96Å; V46-Y83 HydrophobicContact CG2-CE2 3.94Å; V46-L84 PolarHBondContact N-O 3.42Å; V46-Y85 HydrophobicContact CB-CD2 4.36Å; V46-Y85 HydrophobicContact CG1-CD2 4.26Å; V46-I86 PolarHBondContact O-N 3.15Å |
| 47 | L | 97.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.5 | 172 | -60.8 | -179.5 | 0 | 0 | 0 | 109.8 | Y45 R56 I59 I86 | Y45-L47 HydrophobicContact CD2-CD2 3.78Å; Y45-L47 HydrophobicContact CD2-CG 3.87Å; Y45-L47 HydrophobicContact CE2-CD1 4.13Å; Y45-L47 HydrophobicContact CE2-CD2 3.9Å; Y45-L47 HydrophobicContact CE2-CG 3.68Å; L47-R56 HydrophobicContact CD1-CG 4.45Å; L47-I59 HydrophobicContact CD2-CD1 4.46Å; L47-I59 HydrophobicContact CD2-CG2 4.07Å; L47-I86 CarbonylContact C-O 3.46Å; L47-I86 HydrophobicContact CD2-CB 3.83Å; L47-I86 HydrophobicContact CD2-CD1 3.99Å; L47-I86 HydrophobicContact CD2-CG1 4.47Å; L47-I86 HydrophobicContact CD2-CG2 4.02Å |
| 48 | G | 95.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | trans | -56 | 153.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F50 R56 I86 | G48-F50 PolarHBondContact O-N 3.31Å; G48-R56 PolarHBondContact O-NH2 2.64Å; G48-I86 PolarHBondContact N-O 2.64Å | ||
| 49 | E | 92.4 | Very high | 96 | Very high | 163 Ų | 163 | 64.4 Ų | 64.4 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -34.9 | -173.3 | -63.5 | -178.4 | 171.2 | 0 | 0 | 112 | Y51 R56 | E49-Y51 PolarHBondContact O-N 2.95Å; E49-R56 PolarHBondContact O-NH2 2.91Å |
| 50 | F | 91.5 | Very high | 96.3 | Very high | 165 Ų | 165 | 63.5 Ų | 63.5 | 72% | 0.724 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 25.3 | -170.9 | -55.7 | -69.7 | 0 | 0 | 0 | 116.3 | G48 R88 | G48-F50 PolarHBondContact O-N 3.31Å; F50-R88 PolarHBondContact O-NE 3.03Å |
| 51 | Y | 95.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | trans | -98.2 | 128.2 | 168.2 | -66.3 | -57.8 | 0 | 0 | 0 | 110.8 | E49 E55 R56 I59 I86 G87 R88 L107 L112 | E49-Y51 PolarHBondContact O-N 2.95Å; Y51-E55 HydrophobicContact CD1-CB 4.23Å; Y51-R56 PolarHBondContact O-NE 2.79Å; Y51-I59 HydrophobicContact CD1-CD1 4.37Å; Y51-I59 HydrophobicContact CD2-CD1 4.04Å; Y51-I59 HydrophobicContact CE1-CD1 4.32Å; Y51-I59 HydrophobicContact CE2-CD1 3.95Å; Y51-I59 HydrophobicContact CG-CD1 4.24Å; Y51-I86 HydrophobicContact CE2-CG2 4.25Å; Y51-I86 WeakPolarHBondContact CE2-O 3.37Å; Y51-G87 WeakPolarHBondContact OH-CA 2.92Å; Y51-G87 PolarHBondContact OH-N 3.05Å; Y51-G87 PolarHBondContact OH-O 2.89Å; Y51-R88 HydrophobicContact CE1-CG 4Å; Y51-L107 WeakPolarHBondContact CE1-O 3.07Å; Y51-L107 PolarHBondContact OH-O 3.26Å; Y51-L112 HydrophobicContact CD1-CD1 4.08Å; Y51-L112 HydrophobicContact CD1-CD2 4.32Å; Y51-L112 HydrophobicContact CE1-CD1 3.97Å; Y51-L112 HydrophobicContact CE1-CD2 3.94Å | ||
| 52 | S | 95.7 | Very high | 96.6 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | trans | -64.2 | 162.5 | 169.9 | 67.4 | 0 | 0 | 0 | 0 | 111.6 | K54 E55 R56 | S52-K54 PolarHBondContact O-N 2.67Å; S52-E55 WeakPolarHBondContact CB-OE2 3.31Å; S52-E55 PolarHBondContact N-OE2 2.73Å; S52-E55 PolarHBondContact O-N 3.27Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 VanDerWaalsContact OG-CG 3.23Å; S52-E55 WeakPolarHBondContact OG-CG 3.49Å; S52-E55 PolarHBondContact OG-N 2.97Å; S52-E55 PolarHBondContact OG-OE2 2.81Å; S52-R56 WeakPolarHBondContact O-CG 3.48Å; S52-R56 PolarHBondContact O-N 3.48Å | ||
| 53 | S | 96.5 | Very high | 96.7 | Very high | 105 Ų | 105 | 58.8 Ų | 58.8 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.3 | -34.7 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | A57 | S53-A57 WeakPolarHBondContact O-CB 3.31Å; S53-A57 PolarHBondContact O-N 2.81Å; S53-A57 VanDerWaalsContact O-N 3.07Å |
| 54 | K | 95.3 | Very high | 96.7 | Very high | 173 Ų | 173 | 63.2 Ų | 63.2 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.8 | -46 | 176.9 | -175.3 | -179.9 | 177.7 | -175.3 | 0 | 111.1 | S52 A57 V58 | S52-K54 PolarHBondContact O-N 2.67Å; K54-A57 WeakPolarHBondContact O-CB 3.46Å; K54-A57 PolarHBondContact O-N 3.01Å; K54-V58 WeakPolarHBondContact O-CG2 3.26Å; K54-V58 PolarHBondContact O-N 3.24Å; K54-V58 VanDerWaalsContact O-N 3.15Å |
| 55 | E | 95.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | -179.2 | -66.6 | 164.8 | 142.7 | 0 | 0 | 111.4 | Y51 S52 A57 V58 I59 R88 L112 | Y51-E55 HydrophobicContact CD1-CB 4.23Å; S52-E55 WeakPolarHBondContact CB-OE2 3.31Å; S52-E55 PolarHBondContact N-OE2 2.73Å; S52-E55 PolarHBondContact O-N 3.27Å; S52-E55 VanDerWaalsContact O-N 3.13Å; S52-E55 VanDerWaalsContact OG-CG 3.23Å; S52-E55 WeakPolarHBondContact OG-CG 3.49Å; S52-E55 PolarHBondContact OG-N 2.97Å; S52-E55 PolarHBondContact OG-OE2 2.81Å; E55-A57 PolarHBondContact O-N 3.49Å; E55-V58 PolarHBondContact O-N 2.75Å; E55-V58 VanDerWaalsContact O-N 3.07Å; E55-I59 WeakPolarHBondContact O-CG1 3.09Å; E55-I59 PolarHBondContact O-N 2.9Å; E55-R88 IonicContact OE1-CZ 2.64Å; E55-R88 IonicContact OE1-NH2 3.03Å; E55-R88 PolarHBondContact OE1-NH2 2.91Å; E55-R88 IonicContact OE2-NH2 2.89Å; E55-R88 PolarHBondContact OE2-NH2 2.85Å; E55-L112 HydrophobicContact CB-CD1 4.03Å; E55-L112 HydrophobicContact CB-CD2 4.4Å; E55-L112 HydrophobicContact CG-CD1 3.68Å; E55-L112 VanDerWaalsContact OE1-CD1 3.26Å; E55-L112 WeakPolarHBondContact OE1-CD1 3.42Å |
| 56 | R | 97.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 61 Ų | 61 | 32% | 0.317 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 171.8 | -69 | 177.3 | -178.5 | -85.4 | -4.8 | 112 | L47 G48 E49 Y51 S52 I59 A60 | L47-R56 HydrophobicContact CD1-CG 4.45Å; G48-R56 PolarHBondContact O-NH2 2.64Å; E49-R56 PolarHBondContact O-NH2 2.91Å; Y51-R56 PolarHBondContact O-NE 2.79Å; S52-R56 WeakPolarHBondContact O-CG 3.48Å; S52-R56 PolarHBondContact O-N 3.48Å; R56-I59 PolarHBondContact O-N 2.53Å; R56-A60 VanDerWaalsContact O-CB 3.29Å; R56-A60 WeakPolarHBondContact O-CB 3.01Å; R56-A60 PolarHBondContact O-N 2.94Å |
| 57 | A | 97.5 | Very high | 96.5 | Very high | 49 Ų | 49 | 60.5 Ų | 60.5 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.4 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S53 K54 E55 R61 | S53-A57 WeakPolarHBondContact O-CB 3.31Å; S53-A57 PolarHBondContact O-N 2.81Å; S53-A57 VanDerWaalsContact O-N 3.07Å; K54-A57 WeakPolarHBondContact O-CB 3.46Å; K54-A57 PolarHBondContact O-N 3.01Å; E55-A57 PolarHBondContact O-N 3.49Å; A57-R61 WeakPolarHBondContact O-CB 3.15Å; A57-R61 PolarHBondContact O-N 3.16Å |
| 58 | V | 96.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.8 | -46.6 | 173.5 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | K54 E55 A60 R61 S62 I117 | K54-V58 WeakPolarHBondContact O-CG2 3.26Å; K54-V58 PolarHBondContact O-N 3.24Å; K54-V58 VanDerWaalsContact O-N 3.15Å; E55-V58 PolarHBondContact O-N 2.75Å; E55-V58 VanDerWaalsContact O-N 3.07Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 2.85Å; V58-R61 WeakPolarHBondContact O-CB 3.22Å; V58-R61 PolarHBondContact O-N 3.12Å; V58-R61 VanDerWaalsContact O-N 3.1Å; V58-S62 PolarHBondContact O-N 3.44Å; V58-S62 PolarHBondContact O-OG 2.03Å; V58-I117 HydrophobicContact CB-CD1 4.34Å; V58-I117 HydrophobicContact CG1-CD1 3.77Å |
| 59 | I | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 175.8 | -64 | 167.3 | 0 | 0 | 0 | 110.8 | L47 Y51 E55 R56 R61 S62 M63 I86 L107 L112 I117 | L47-I59 HydrophobicContact CD2-CD1 4.46Å; L47-I59 HydrophobicContact CD2-CG2 4.07Å; Y51-I59 HydrophobicContact CD1-CD1 4.37Å; Y51-I59 HydrophobicContact CD2-CD1 4.04Å; Y51-I59 HydrophobicContact CE1-CD1 4.32Å; Y51-I59 HydrophobicContact CE2-CD1 3.95Å; Y51-I59 HydrophobicContact CG-CD1 4.24Å; E55-I59 WeakPolarHBondContact O-CG1 3.09Å; E55-I59 PolarHBondContact O-N 2.9Å; R56-I59 PolarHBondContact O-N 2.53Å; I59-R61 VanDerWaalsContact C-N 3.31Å; I59-R61 PolarHBondContact O-N 3.27Å; I59-S62 PolarHBondContact O-N 3.01Å; I59-M63 HydrophobicContact CG2-CE 3.77Å; I59-M63 HydrophobicContact CG2-SD 4.24Å; I59-M63 WeakPolarHBondContact O-CG 3.41Å; I59-M63 PolarHBondContact O-N 3.07Å; I59-I86 HydrophobicContact CD1-CG2 4.48Å; I59-L107 HydrophobicContact CD1-CD1 4.28Å; I59-L107 HydrophobicContact CG1-CD1 4.12Å; I59-L112 HydrophobicContact CD1-CD2 3.99Å; I59-L112 HydrophobicContact CG1-CD2 4.06Å; I59-I117 HydrophobicContact CG1-CD1 3.92Å |
| 60 | A | 98.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R56 V58 M63 Q64 | R56-A60 VanDerWaalsContact O-CB 3.29Å; R56-A60 WeakPolarHBondContact O-CB 3.01Å; R56-A60 PolarHBondContact O-N 2.94Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 2.85Å; A60-M63 PolarHBondContact O-N 2.99Å; A60-Q64 WeakPolarHBondContact O-CB 3.31Å; A60-Q64 PolarHBondContact O-N 3.48Å |
| 61 | R | 97.8 | Very high | 96.9 | Very high | 157 Ų | 157 | 50.3 Ų | 50.3 | 59% | 0.592 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 176.1 | -172.2 | -171 | -51.3 | 176.7 | 4 | 112.2 | A57 V58 I59 Q64 A65 Y114 | A57-R61 WeakPolarHBondContact O-CB 3.15Å; A57-R61 PolarHBondContact O-N 3.16Å; V58-R61 WeakPolarHBondContact O-CB 3.22Å; V58-R61 PolarHBondContact O-N 3.12Å; V58-R61 VanDerWaalsContact O-N 3.1Å; I59-R61 VanDerWaalsContact C-N 3.31Å; I59-R61 PolarHBondContact O-N 3.27Å; R61-Q64 WeakPolarHBondContact O-CB 3.45Å; R61-Q64 PolarHBondContact O-N 2.89Å; R61-A65 PolarHBondContact O-N 3.25Å; R61-A65 VanDerWaalsContact O-N 3.09Å; R61-Y114 HydrophobicContact CG-CD2 4.41Å |
| 62 | S | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | V58 I59 Q64 A65 Y66 Y114 | V58-S62 PolarHBondContact O-N 3.44Å; V58-S62 PolarHBondContact O-OG 2.03Å; I59-S62 PolarHBondContact O-N 3.01Å; S62-Q64 VanDerWaalsContact C-N 3.34Å; S62-Q64 PolarHBondContact O-N 2.02Å; S62-A65 WeakPolarHBondContact O-CB 3.22Å; S62-A65 PolarHBondContact O-N 3.44Å; S62-Y66 WeakPolarHBondContact O-CD2 2.97Å; S62-Y114 WeakPolarHBondContact OG-CD2 3.4Å; S62-Y114 PolarHBondContact OG-O 3.45Å |
| 63 | M | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 171.8 | -70.2 | 177.7 | 176 | 0 | 0 | 112.1 | Y45 I59 A60 A65 Y66 H67 F74 I86 L121 | Y45-M63 HydrophobicContact CD1-CE 3.97Å; Y45-M63 HydrophobicContact CD1-SD 4.25Å; Y45-M63 HydrophobicContact CD2-CE 3.98Å; Y45-M63 HydrophobicContact CE1-CE 4.08Å; Y45-M63 HydrophobicContact CE1-SD 3.8Å; Y45-M63 HydrophobicContact CE2-CE 4.1Å; Y45-M63 HydrophobicContact CE2-SD 4.32Å; Y45-M63 HydrophobicContact CG-CE 3.92Å; I59-M63 HydrophobicContact CG2-CE 3.77Å; I59-M63 HydrophobicContact CG2-SD 4.24Å; I59-M63 WeakPolarHBondContact O-CG 3.41Å; I59-M63 PolarHBondContact O-N 3.07Å; A60-M63 PolarHBondContact O-N 2.99Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 2.02Å; M63-Y66 WeakPolarHBondContact O-CB 3.45Å; M63-Y66 PolarHBondContact O-N 2.89Å; M63-Y66 VanDerWaalsContact O-N 3.15Å; M63-H67 PolarHBondContact O-CD2 3.31Å; M63-H67 PolarHBondContact O-N 3.29Å; M63-H67 VanDerWaalsContact O-N 3.17Å; M63-F74 HydrophobicContact CB-CB 4.24Å; M63-F74 HydrophobicContact CB-CD2 4.04Å; M63-F74 HydrophobicContact CB-CG 4.36Å; M63-F74 HydrophobicContact CE-CB 4.26Å; M63-F74 HydrophobicContact CE-CD1 4.38Å; M63-F74 HydrophobicContact CE-CG 4.38Å; M63-F74 HydrophobicContact CG-CB 3.92Å; M63-F74 HydrophobicContact CG-CD2 3.89Å; M63-F74 HydrophobicContact CG-CG 3.87Å; M63-F74 HydrophobicContact SD-CB 3.75Å; M63-F74 HydrophobicContact SD-CG 4.23Å; M63-I86 HydrophobicContact CE-CD1 3.33Å; M63-L121 HydrophobicContact CG-CD1 4Å |
| 64 | Q | 97.8 | Very high | 97.2 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 43% | 0.43 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 177.3 | -171.4 | 63.1 | 45.5 | 0 | 0 | 111.8 | A60 R61 S62 Y66 H67 D68 | A60-Q64 WeakPolarHBondContact O-CB 3.31Å; A60-Q64 PolarHBondContact O-N 3.48Å; R61-Q64 WeakPolarHBondContact O-CB 3.45Å; R61-Q64 PolarHBondContact O-N 2.89Å; S62-Q64 VanDerWaalsContact C-N 3.34Å; S62-Q64 PolarHBondContact O-N 2.02Å; Q64-Y66 VanDerWaalsContact C-N 3.25Å; Q64-Y66 PolarHBondContact O-N 3.47Å; Q64-H67 WeakPolarHBondContact O-CA 3.45Å; Q64-H67 WeakPolarHBondContact O-CB 3.31Å; Q64-H67 PolarHBondContact O-N 3.32Å; Q64-D68 PolarHBondContact NE2-OD1 2.84Å; Q64-D68 VanDerWaalsContact O-CG 3.26Å; Q64-D68 PolarHBondContact O-N 2.76Å |
| 65 | A | 96.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -34.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R61 S62 M63 R69 Y114 I118 F208 | R61-A65 PolarHBondContact O-N 3.25Å; R61-A65 VanDerWaalsContact O-N 3.09Å; S62-A65 WeakPolarHBondContact O-CB 3.22Å; S62-A65 PolarHBondContact O-N 3.44Å; M63-A65 VanDerWaalsContact C-N 3.28Å; M63-A65 PolarHBondContact O-N 2.02Å; A65-R69 WeakPolarHBondContact O-CG 3.19Å; A65-R69 PolarHBondContact O-N 3.26Å; A65-Y114 HydrophobicContact CB-CE2 3.97Å; A65-Y114 WeakPolarHBondContact CB-OH 3.04Å; A65-I118 HydrophobicContact CB-CD1 3.7Å; A65-F208 HydrophobicContact CB-CE2 4.18Å |
| 66 | Y | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67 | -42.8 | 169.5 | -78.4 | -90.2 | 0 | 0 | 0 | 111.9 | S62 M63 Q64 D68 R69 T70 F74 I118 L121 M122 V125 F208 I216 | S62-Y66 WeakPolarHBondContact O-CD2 2.97Å; M63-Y66 WeakPolarHBondContact O-CB 3.45Å; M63-Y66 PolarHBondContact O-N 2.89Å; M63-Y66 VanDerWaalsContact O-N 3.15Å; Q64-Y66 VanDerWaalsContact C-N 3.25Å; Q64-Y66 PolarHBondContact O-N 3.47Å; Y66-D68 VanDerWaalsContact C-N 3.3Å; Y66-D68 PolarHBondContact O-N 3.42Å; Y66-R69 PolarHBondContact O-N 2Å; Y66-T70 WeakPolarHBondContact O-CA 3.03Å; Y66-T70 WeakPolarHBondContact O-CB 3.3Å; Y66-T70 PolarHBondContact O-N 3.3Å; Y66-T70 PolarHBondContact O-OG1 2.94Å; Y66-F74 HydrophobicContact CD1-CE2 4.14Å; Y66-F74 HydrophobicContact CD2-CD2 4.49Å; Y66-F74 AromaticContact CD2-CE2 3.62Å; Y66-F74 HydrophobicContact CD2-CE2 3.62Å; Y66-F74 HydrophobicContact CD2-CZ 4.38Å; Y66-F74 HydrophobicContact CE2-CE2 4.16Å; Y66-F74 HydrophobicContact CE2-CZ 4.49Å; Y66-F74 HydrophobicContact CG-CD2 4.47Å; Y66-F74 AromaticContact CG-CE2 3.62Å; Y66-F74 HydrophobicContact CG-CE2 3.62Å; Y66-F74 HydrophobicContact CG-CZ 4.5Å; Y66-I118 HydrophobicContact CE2-CD1 4.26Å; Y66-I118 HydrophobicContact CE2-CG2 4.38Å; Y66-I118 PolarHBondContact OH-O 2.68Å; Y66-L121 HydrophobicContact CD2-CD1 4.29Å; Y66-L121 HydrophobicContact CE2-CB 3.6Å; Y66-L121 HydrophobicContact CE2-CD1 3.94Å; Y66-L121 HydrophobicContact CE2-CG 4.45Å; Y66-M122 WeakPolarHBondContact OH-CA 3.3Å; Y66-M122 WeakPolarHBondContact OH-CB 3.29Å; Y66-M122 PolarHBondContact OH-N 2.86Å; Y66-V125 HydrophobicContact CD1-CG2 4.29Å; Y66-V125 HydrophobicContact CE1-CG2 3.77Å; Y66-F208 HydrophobicContact CD1-CE1 4.31Å; Y66-F208 AromaticContact CD1-CZ 3.78Å; Y66-F208 HydrophobicContact CD1-CZ 3.78Å; Y66-F208 AromaticContact CD2-CZ 3.77Å; Y66-F208 HydrophobicContact CD2-CZ 3.77Å; Y66-F208 AromaticContact CE1-CE1 3.63Å; Y66-F208 HydrophobicContact CE1-CE1 3.63Å; Y66-F208 AromaticContact CE1-CZ 3.48Å; Y66-F208 HydrophobicContact CE1-CZ 3.48Å; Y66-F208 VanDerWaalsContact CE1-CZ 3.48Å; Y66-F208 HydrophobicContact CE2-CE1 4.15Å; Y66-F208 HydrophobicContact CE2-CE2 4.5Å; Y66-F208 AromaticContact CE2-CZ 3.49Å; Y66-F208 HydrophobicContact CE2-CZ 3.49Å; Y66-F208 VanDerWaalsContact CE2-CZ 3.49Å; Y66-F208 AromaticContact CG-CZ 3.9Å; Y66-F208 HydrophobicContact CG-CZ 3.9Å; Y66-F208 AromaticContact CZ-CE1 3.53Å; Y66-F208 AromaticContact CZ-CZ 3.32Å; Y66-F208 WeakPolarHBondContact OH-CE1 3.18Å; Y66-I216 HydrophobicContact CE1-CD1 4.11Å |
| 67 | H | 97 | Very high | 97.5 | Very high | 42 Ų | 42 | 41.8 Ų | 41.8 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | -177 | -63.6 | -175.1 | 0 | 0 | 0 | 111.9 | M63 Q64 R73 F74 | M63-H67 PolarHBondContact O-CD2 3.31Å; M63-H67 PolarHBondContact O-N 3.29Å; M63-H67 VanDerWaalsContact O-N 3.17Å; Q64-H67 WeakPolarHBondContact O-CA 3.45Å; Q64-H67 WeakPolarHBondContact O-CB 3.31Å; Q64-H67 PolarHBondContact O-N 3.32Å; H67-R73 PolarHBondContact O-NH1 2.92Å; H67-R73 PolarHBondContact O-NH2 3.12Å; H67-F74 AromaticContact NE2-CD2 4Å; H67-F74 PolarHBondContact NE2-N 3.28Å; H67-F74 VanDerWaalsContact NE2-N 3.19Å |
| 68 | D | 95.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 44 Ų | 44 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.6 | -32.9 | -178.3 | -68 | -15.5 | 0 | 0 | 0 | 112.6 | Q64 Y66 M229 | Q64-D68 PolarHBondContact NE2-OD1 2.84Å; Q64-D68 VanDerWaalsContact O-CG 3.26Å; Q64-D68 PolarHBondContact O-N 2.76Å; Y66-D68 VanDerWaalsContact C-N 3.3Å; Y66-D68 PolarHBondContact O-N 3.42Å; D68-M229 WeakPolarHBondContact O-CE 2.91Å |
| 69 | R | 96 | Very high | 97.4 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -117.6 | -6.9 | -166.1 | -56.6 | 173.1 | -167.1 | 157.4 | -11.3 | 114.1 | A65 Y66 Y114 D207 L213 N217 Y226 | A65-R69 WeakPolarHBondContact O-CG 3.19Å; A65-R69 PolarHBondContact O-N 3.26Å; Y66-R69 PolarHBondContact O-N 2Å; R69-Y114 PolarHBondContact NH1-OH 3.07Å; R69-D207 IonicContact CZ-OD1 2.81Å; R69-D207 IonicContact CZ-OD2 2.85Å; R69-D207 VanDerWaalsContact CZ-OD2 3.29Å; R69-D207 IonicContact NH1-OD1 2.66Å; R69-D207 PolarHBondContact NH1-OD1 3.2Å; R69-D207 IonicContact NH1-OD2 3.61Å; R69-D207 PolarHBondContact NH1-OD2 2.74Å; R69-D207 IonicContact NH2-OD2 3.17Å; R69-D207 PolarHBondContact NH2-OD2 2.89Å; R69-L213 HydrophobicContact CB-CD1 4.12Å; R69-L213 HydrophobicContact CB-CD2 3.74Å; R69-N217 PolarHBondContact O-ND2 3.16Å; R69-N217 VanDerWaalsContact O-ND2 3.16Å; R69-Y226 WeakPolarHBondContact O-CD1 3.16Å |
| 70 | T | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -140.6 | 171.3 | 178.6 | 81.1 | 0 | 0 | 0 | 0 | 111.3 | Y66 V72 R73 L213 I216 N217 Y226 | Y66-T70 WeakPolarHBondContact O-CA 3.03Å; Y66-T70 WeakPolarHBondContact O-CB 3.3Å; Y66-T70 PolarHBondContact O-N 3.3Å; Y66-T70 PolarHBondContact O-OG1 2.94Å; T70-V72 VanDerWaalsContact C-N 3.35Å; T70-V72 PolarHBondContact OG1-N 2.77Å; T70-V72 VanDerWaalsContact OG1-N 3.1Å; T70-R73 PolarHBondContact O-NH1 3.36Å; T70-L213 HydrophobicContact CG2-CD2 3.9Å; T70-I216 HydrophobicContact CG2-CB 4.25Å; T70-I216 HydrophobicContact CG2-CD1 4.42Å; T70-I216 HydrophobicContact CG2-CG2 3.75Å; T70-N217 WeakPolarHBondContact CA-OD1 3.38Å; T70-N217 VanDerWaalsContact CB-OD1 3.31Å; T70-N217 WeakPolarHBondContact CB-OD1 3.41Å; T70-Y226 VanDerWaalsContact O-CE1 3.24Å; T70-Y226 WeakPolarHBondContact O-CE1 3.25Å; T70-Y226 PolarHBondContact O-OH 3.44Å |
| 71 | C | 96.7 | Very high | 97.2 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 10% | 0.095 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -89.3 | 3.7 | 170.1 | 68.1 | 0 | 0 | 0 | 0 | 113.8 | N41 C222 Y226 | N41-C71 WeakPolarHBondContact CB-O 3.1Å; N41-C71 PolarHBondContact ND2-SG 3.05Å; C71-C222 HydrophobicContact CB-CB 3.59Å; C71-C222 WeakPolarHBondContact CB-SG 3.45Å; C71-C222 PolarHBondContact N-SG 2.66Å; C71-C222 WeakPolarHBondContact SG-CA 3.44Å; C71-C222 WeakPolarHBondContact SG-CB 3.06Å; C71-C222 CovalentContact SG-SG 2.02Å; C71-C222 PolarHBondContact SG-SG 3.38Å; C71-Y226 HydrophobicContact CB-CD2 4.41Å; C71-Y226 HydrophobicContact CB-CE2 4.04Å |
| 72 | V | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -73.4 | 137.3 | 175.2 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | N41 I43 T70 F74 V125 I216 Y220 | N41-V72 CarbonylContact O-C 3.58Å; N41-V72 WeakPolarHBondContact O-CA 3.31Å; I43-V72 HydrophobicContact CD1-CG1 3.78Å; I43-V72 HydrophobicContact CG1-CG1 4.1Å; T70-V72 VanDerWaalsContact C-N 3.35Å; T70-V72 PolarHBondContact OG1-N 2.77Å; T70-V72 VanDerWaalsContact OG1-N 3.1Å; V72-F74 HydrophobicContact CG1-CE2 4.37Å; V72-V125 HydrophobicContact CG1-CG2 4.15Å; V72-I216 HydrophobicContact CG2-CG2 3.93Å; V72-Y220 HydrophobicContact CG2-CD1 4.43Å; V72-Y220 HydrophobicContact CG2-CD2 3.49Å; V72-Y220 VanDerWaalsContact CG2-CD2 3.49Å; V72-Y220 HydrophobicContact CG2-CE2 3.73Å; V72-Y220 HydrophobicContact CG2-CG 3.87Å | ||
| 73 | R | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 111.9 | -177.3 | -64.7 | -64 | 176.6 | -94.7 | 3.5 | 111 | N41 E42 I43 H67 T70 V75 Y226 | N41-R73 PolarHBondContact O-N 3.42Å; E42-R73 CarbonylContact C-O 3.56Å; E42-R73 VanDerWaalsContact CA-O 3.3Å; E42-R73 WeakPolarHBondContact CA-O 3.42Å; E42-R73 HydrophobicContact CG-CB 4.29Å; I43-R73 PolarHBondContact N-O 2.79Å; H67-R73 PolarHBondContact O-NH1 2.92Å; H67-R73 PolarHBondContact O-NH2 3.12Å; T70-R73 PolarHBondContact O-NH1 3.36Å; R73-V75 HydrophobicContact CB-CG1 4.1Å; R73-V75 PolarHBondContact O-N 2.95Å; R73-Y226 PolarHBondContact NH2-OH 3.32Å |
| 74 | F | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116.4 | 164.5 | -64 | -80.7 | 0 | 0 | 0 | 109.2 | I43 Y45 M63 Y66 H67 V72 L84 L121 V125 | I43-F74 HydrophobicContact CB-CD1 3.8Å; I43-F74 HydrophobicContact CB-CE1 3.91Å; I43-F74 HydrophobicContact CD1-CD1 4.45Å; I43-F74 HydrophobicContact CD1-CE1 3.74Å; I43-F74 HydrophobicContact CD1-CZ 4.01Å; I43-F74 HydrophobicContact CG1-CE1 4.32Å; I43-F74 HydrophobicContact CG2-CD1 3.99Å; I43-F74 HydrophobicContact CG2-CE1 3.91Å; I43-F74 WeakPolarHBondContact O-CA 3.07Å; Y45-F74 HydrophobicContact CD1-CB 3.95Å; Y45-F74 HydrophobicContact CE1-CB 4.01Å; M63-F74 HydrophobicContact CB-CB 4.24Å; M63-F74 HydrophobicContact CB-CD2 4.04Å; M63-F74 HydrophobicContact CB-CG 4.36Å; M63-F74 HydrophobicContact CE-CB 4.26Å; M63-F74 HydrophobicContact CE-CD1 4.38Å; M63-F74 HydrophobicContact CE-CG 4.38Å; M63-F74 HydrophobicContact CG-CB 3.92Å; M63-F74 HydrophobicContact CG-CD2 3.89Å; M63-F74 HydrophobicContact CG-CG 3.87Å; M63-F74 HydrophobicContact SD-CB 3.75Å; M63-F74 HydrophobicContact SD-CG 4.23Å; Y66-F74 HydrophobicContact CD1-CE2 4.14Å; Y66-F74 HydrophobicContact CD2-CD2 4.49Å; Y66-F74 AromaticContact CD2-CE2 3.62Å; Y66-F74 HydrophobicContact CD2-CE2 3.62Å; Y66-F74 HydrophobicContact CD2-CZ 4.38Å; Y66-F74 HydrophobicContact CE2-CE2 4.16Å; Y66-F74 HydrophobicContact CE2-CZ 4.49Å; Y66-F74 HydrophobicContact CG-CD2 4.47Å; Y66-F74 AromaticContact CG-CE2 3.62Å; Y66-F74 HydrophobicContact CG-CE2 3.62Å; Y66-F74 HydrophobicContact CG-CZ 4.5Å; H67-F74 AromaticContact NE2-CD2 4Å; H67-F74 PolarHBondContact NE2-N 3.28Å; H67-F74 VanDerWaalsContact NE2-N 3.19Å; V72-F74 HydrophobicContact CG1-CE2 4.37Å; F74-L84 HydrophobicContact CE1-CD1 4.28Å; F74-L121 HydrophobicContact CD1-CD2 4.31Å; F74-L121 HydrophobicContact CE1-CD2 3.66Å; F74-L121 HydrophobicContact CE1-CG 4.49Å; F74-L121 HydrophobicContact CE2-CD1 4.28Å; F74-L121 HydrophobicContact CZ-CB 3.92Å; F74-L121 HydrophobicContact CZ-CD1 4.19Å; F74-L121 HydrophobicContact CZ-CD2 3.86Å; F74-L121 HydrophobicContact CZ-CG 4.21Å; F74-V125 HydrophobicContact CZ-CG2 3.94Å |
| 75 | V | 98.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 49 Ų | 49 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.6 | -174.8 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | E42 I43 P44 Y45 R73 R77 | E42-V75 HydrophobicContact CB-CG2 4.24Å; E42-V75 HydrophobicContact CG-CG1 4.37Å; I43-V75 PolarHBondContact O-N 3.02Å; I43-V75 VanDerWaalsContact O-N 3.09Å; P44-V75 CarbonylContact C-O 3.54Å; P44-V75 VanDerWaalsContact CA-O 3.23Å; P44-V75 WeakPolarHBondContact CA-O 3.26Å; P44-V75 HydrophobicContact CB-CG2 4.36Å; P44-V75 HydrophobicContact CG-CG2 4.33Å; Y45-V75 VanDerWaalsContact CD1-C 3.49Å; Y45-V75 WeakPolarHBondContact CD1-O 2.94Å; Y45-V75 VanDerWaalsContact CE1-C 3.43Å; Y45-V75 PolarHBondContact N-O 3.44Å; R73-V75 HydrophobicContact CB-CG1 4.1Å; R73-V75 PolarHBondContact O-N 2.95Å; V75-R77 PolarHBondContact O-N 2.9Å |
| 76 | P | 97.9 | Very high | 97.2 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 127.5 | 171.5 | -25 | 34.7 | 0 | 0 | 0 | 110.2 | Y45 | Y45-P76 HydrophobicContact CE1-CG 4.46Å |
| 77 | R | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 48.8 Ų | 48.8 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | trans | -65.1 | 138.6 | 179.3 | -175.4 | -162.5 | 179 | -127.6 | -3.5 | 110.4 | P44 Y45 V46 V75 Q80 Y83 | P44-R77 HydrophobicContact CB-CB 4.03Å; P44-R77 HydrophobicContact CB-CG 4.15Å; Y45-R77 WeakPolarHBondContact O-CB 3.05Å; Y45-R77 PolarHBondContact O-N 3.24Å; V46-R77 HydrophobicContact CG2-CB 3.8Å; V46-R77 HydrophobicContact CG2-CG 4.42Å; V75-R77 PolarHBondContact O-N 2.9Å; R77-Q80 PolarHBondContact NE-O 2.94Å; R77-Q80 PolarHBondContact NH2-O 3.2Å; R77-Y83 HydrophobicContact CG-CG 4.25Å; R77-Y83 VanDerWaalsContact CZ-CE1 3.4Å | ||
| 78 | T | 96.8 | Very high | 96.8 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -114.4 | -81.9 | 169.1 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | Q80 | T78-Q80 PolarHBondContact OG1-OE1 3.33Š|
| 79 | Y | 94.9 | Very high | 96.5 | Very high | 197 Ų | 197 | 48.3 Ų | 48.3 | 77% | 0.773 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -115.6 | -1.7 | -174.6 | 56.9 | -96.1 | 0 | 0 | 0 | 113.7 | S81 | Y79-S81 PolarHBondContact O-N 2.95Š|
| 80 | Q | 97.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | trans | -61.4 | 132.2 | -175.9 | -57.6 | 89.2 | -16.6 | 0 | 0 | 110.7 | P44 R77 T78 D82 | P44-Q80 HydrophobicContact CB-CB 4.04Å; P44-Q80 HydrophobicContact CB-CG 4.09Å; P44-Q80 HydrophobicContact CG-CB 3.7Å; P44-Q80 HydrophobicContact CG-CG 3.53Å; R77-Q80 PolarHBondContact NE-O 2.94Å; R77-Q80 PolarHBondContact NH2-O 3.2Å; T78-Q80 PolarHBondContact OG1-OE1 3.33Å; Q80-D82 VanDerWaalsContact C-N 3.3Å | ||
| 81 | S | 95.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -68.3 | -34.6 | 177.3 | 60 | 0 | 0 | 0 | 0 | 111.9 | Y79 G101 | Y79-S81 PolarHBondContact O-N 2.95Å; S81-G101 CarbonylContact O-C 3.59Å; S81-G101 VanDerWaalsContact O-CA 3.31Å; S81-G101 WeakPolarHBondContact O-CA 3.21Å |
| 82 | D | 96.8 | Very high | 95 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -105.5 | 125 | -177.4 | -57.9 | -8.1 | 0 | 0 | 0 | 108.9 | W38 Q80 R98 G101 | W38-D82 HydrophobicContact CZ3-CB 4.12Å; Q80-D82 VanDerWaalsContact C-N 3.3Å; D82-R98 HydrophobicContact CB-CG 4.42Å; D82-R98 IonicContact OD2-CZ 3.28Å; D82-R98 IonicContact OD2-NH1 2.71Å; D82-R98 PolarHBondContact OD2-NH1 3.4Å; D82-G101 WeakPolarHBondContact CA-O 3.18Å; D82-G101 PolarHBondContact OD1-N 3.49Å |
| 83 | Y | 97.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 158.2 | -175.1 | 68 | -82.3 | 0 | 0 | 0 | 111.7 | P44 V46 R77 G101 R102 Q103 | P44-Y83 CarbonylContact O-C 3.48Å; P44-Y83 VanDerWaalsContact O-CA 3.26Å; P44-Y83 WeakPolarHBondContact O-CA 3.33Å; P44-Y83 WeakPolarHBondContact O-CB 3.4Å; V46-Y83 HydrophobicContact CB-CD2 4.49Å; V46-Y83 HydrophobicContact CB-CE2 4.4Å; V46-Y83 HydrophobicContact CG2-CD2 3.96Å; V46-Y83 HydrophobicContact CG2-CE2 3.94Å; R77-Y83 HydrophobicContact CG-CG 4.25Å; R77-Y83 VanDerWaalsContact CZ-CE1 3.4Å; Y83-G101 PolarHBondContact N-O 3.05Å; Y83-G101 VanDerWaalsContact N-O 3.13Å; Y83-R102 HydrophobicContact CD1-CB 4.45Å; Y83-R102 HydrophobicContact CE1-CB 3.71Å; Y83-R102 HydrophobicContact CE1-CG 4.33Å; Y83-R102 HydrophobicContact CE2-CB 4.21Å; Y83-R102 HydrophobicContact CE2-CG 3.9Å; Y83-Q103 PolarHBondContact O-N 3.28Å |
| 84 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 128.5 | 169 | -62.7 | -178.9 | 0 | 0 | 0 | 110.8 | W38 I43 P44 Y45 V46 F74 I86 Q103 L105 A124 | W38-L84 HydrophobicContact CH2-CD2 4.2Å; W38-L84 HydrophobicContact CH2-CG 4.28Å; W38-L84 HydrophobicContact CZ2-CD2 3.84Å; W38-L84 HydrophobicContact CZ2-CG 4.14Å; I43-L84 HydrophobicContact CG2-CD1 3.46Å; I43-L84 VanDerWaalsContact CG2-CD1 3.46Å; I43-L84 HydrophobicContact CG2-CG 3.71Å; P44-L84 PolarHBondContact O-N 3.48Å; Y45-L84 CarbonylContact C-O 3.48Å; Y45-L84 WeakPolarHBondContact CA-O 3.38Å; V46-L84 PolarHBondContact N-O 3.42Å; F74-L84 HydrophobicContact CE1-CD1 4.28Å; L84-I86 HydrophobicContact CB-CG1 4.25Å; L84-Q103 CarbonylContact C-O 3.51Å; L84-Q103 VanDerWaalsContact CA-O 3.27Å; L84-Q103 WeakPolarHBondContact CA-O 3.45Å; L84-Q103 HydrophobicContact CD2-CB 4.13Å; L84-Q103 HydrophobicContact CD2-CG 3.92Å; L84-L105 HydrophobicContact CD1-CD1 4.19Å; L84-A124 HydrophobicContact CD1-CB 3.71Å; L84-A124 HydrophobicContact CD2-CB 4.04Å; L84-A124 HydrophobicContact CG-CB 4.5Å |
| 85 | Y | 97.9 | Very high | 94 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.4 | 158 | 176.1 | -93.9 | 0 | 0 | 0 | 108.2 | V46 I89 Q103 D104 L105 | V46-Y85 HydrophobicContact CB-CD2 4.36Å; V46-Y85 HydrophobicContact CG1-CD2 4.26Å; Y85-I89 HydrophobicContact CD1-CD1 4.31Å; Y85-I89 HydrophobicContact CE1-CD1 4.48Å; Y85-Q103 PolarHBondContact N-O 2.82Å; Y85-D104 WeakPolarHBondContact CD1-OD1 3.26Å; Y85-L105 PolarHBondContact O-N 3.22Å |
| 86 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.4 | 178.9 | -60.4 | 169.9 | 0 | 0 | 0 | 107.3 | Y45 V46 L47 G48 Y51 I59 M63 L84 L105 L107 L121 | Y45-I86 HydrophobicContact CD2-CD1 4.32Å; Y45-I86 HydrophobicContact CG-CD1 4.34Å; V46-I86 PolarHBondContact O-N 3.15Å; L47-I86 CarbonylContact C-O 3.46Å; L47-I86 HydrophobicContact CD2-CB 3.83Å; L47-I86 HydrophobicContact CD2-CD1 3.99Å; L47-I86 HydrophobicContact CD2-CG1 4.47Å; L47-I86 HydrophobicContact CD2-CG2 4.02Å; G48-I86 PolarHBondContact N-O 2.64Å; Y51-I86 HydrophobicContact CE2-CG2 4.25Å; Y51-I86 WeakPolarHBondContact CE2-O 3.37Å; I59-I86 HydrophobicContact CD1-CG2 4.48Å; M63-I86 HydrophobicContact CE-CD1 3.33Å; L84-I86 HydrophobicContact CB-CG1 4.25Å; I86-L105 VanDerWaalsContact CA-O 3.31Å; I86-L105 WeakPolarHBondContact CA-O 3.45Å; I86-L105 HydrophobicContact CG1-CB 4.24Å; I86-L105 HydrophobicContact CG1-CD2 4.45Å; I86-L105 HydrophobicContact CG2-CD2 4.26Å; I86-L107 HydrophobicContact CG2-CD1 3.69Å; I86-L107 HydrophobicContact CG2-CG 4.32Å; I86-L121 HydrophobicContact CD1-CD2 4.4Å |
| 87 | G | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 174.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y51 I89 L105 S106 L107 | Y51-G87 WeakPolarHBondContact OH-CA 2.92Å; Y51-G87 PolarHBondContact OH-N 3.05Å; Y51-G87 PolarHBondContact OH-O 2.89Å; G87-I89 PolarHBondContact O-N 3.48Å; G87-L105 PolarHBondContact N-O 2.68Å; G87-S106 VanDerWaalsContact O-CA 3.3Å; G87-S106 WeakPolarHBondContact O-CA 2.76Å; G87-L107 PolarHBondContact O-N 3.27Å |
| 88 | R | 90.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | trans | -81.9 | 111.5 | 168 | -59.6 | -177.4 | -175 | -76.6 | -2.3 | 107.8 | F50 Y51 E55 D108 | F50-R88 PolarHBondContact O-NE 3.03Å; Y51-R88 HydrophobicContact CE1-CG 4Å; E55-R88 IonicContact OE1-CZ 2.64Å; E55-R88 IonicContact OE1-NH2 3.03Å; E55-R88 PolarHBondContact OE1-NH2 2.91Å; E55-R88 IonicContact OE2-NH2 2.89Å; E55-R88 PolarHBondContact OE2-NH2 2.85Å; R88-D108 IonicContact NH1-OD1 2.91Å | ||
| 89 | I | 89 | Confident | 92.7 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -124.7 | -69 | -176.5 | -53.2 | 173.6 | 0 | 0 | 0 | 109.6 | Y85 G87 F93 D104 S106 | Y85-I89 HydrophobicContact CD1-CD1 4.31Å; Y85-I89 HydrophobicContact CE1-CD1 4.48Å; G87-I89 PolarHBondContact O-N 3.48Å; I89-F93 HydrophobicContact CB-CE1 4.21Å; I89-F93 HydrophobicContact CB-CZ 4.16Å; I89-F93 HydrophobicContact CD1-CZ 4.3Å; I89-F93 HydrophobicContact CG2-CE1 4.21Å; I89-F93 HydrophobicContact CG2-CZ 3.96Å; I89-D104 HydrophobicContact CD1-CB 3.49Å; I89-D104 VanDerWaalsContact CD1-CB 3.49Å; I89-S106 PolarHBondContact N-OG 3.14Å |
| 90 | D | 82.4 | Confident | 92.4 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 40% | 0.401 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -163.7 | 98.3 | 178.4 | -177.4 | 14.8 | 0 | 0 | 0 | 109.8 | K6 F93 S106 | K6-D90 VanDerWaalsContact CE-O 3.31Å; K6-D90 WeakPolarHBondContact CE-O 3.2Å; K6-D90 PolarHBondContact NZ-O 3.2Å; D90-F93 HydrophobicContact CB-CE1 4.26Å; D90-F93 WeakPolarHBondContact O-CD1 3.29Å; D90-F93 WeakPolarHBondContact O-CE1 3.37Å; D90-S106 PolarHBondContact N-OG 3.41Å |
| 91 | G | 86.3 | Confident | 92.3 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 24% | 0.237 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 60.4 | -150.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S106 D108 | G91-S106 CarbonylContact O-C 3.25Å; G91-S106 VanDerWaalsContact O-CB 3.31Å; G91-S106 WeakPolarHBondContact O-CB 3.47Å; G91-S106 PolarHBondContact O-OG 3.15Å; G91-D108 WeakPolarHBondContact O-CB 3.22Å; G91-D108 PolarHBondContact O-N 3.09Å |
| 92 | C | 89 | Confident | 92.3 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 25% | 0.25 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.5 | 177.5 | -31.7 | 0 | 0 | 0 | 0 | 108.6 | K6 S106 C111 T116 E120 | K6-C92 PolarHBondContact NZ-O 3.4Å; C92-S106 WeakPolarHBondContact CA-O 3.3Å; C92-C111 WeakPolarHBondContact CA-SG 3.37Å; C92-C111 HydrophobicContact CB-CB 3.86Å; C92-C111 WeakPolarHBondContact CB-SG 3.27Å; C92-C111 PolarHBondContact N-SG 3.06Å; C92-C111 WeakPolarHBondContact SG-CB 3.37Å; C92-C111 CovalentContact SG-SG 2.03Å; C92-C111 PolarHBondContact SG-SG 3.24Å; C92-T116 HydrophobicContact CB-CG2 4.14Å; C92-E120 HydrophobicContact CB-CG 4.42Å; C92-E120 WeakPolarHBondContact CB-OE1 3.46Å |
| 93 | F | 90.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 160.8 | 169.7 | 68.6 | -97 | 0 | 0 | 0 | 114.2 | K6 D10 A12 I89 D90 D104 L105 S106 E120 | K6-F93 HydrophobicContact CD-CB 4.01Å; K6-F93 HydrophobicContact CD-CD1 4.29Å; K6-F93 HydrophobicContact CD-CG 4.45Å; D10-F93 CarbonylContact O-C 3.54Å; D10-F93 WeakPolarHBondContact O-CA 3.5Å; D10-F93 WeakPolarHBondContact O-CB 2.96Å; A12-F93 HydrophobicContact CB-CD2 3.65Å; A12-F93 HydrophobicContact CB-CE2 3.98Å; A12-F93 HydrophobicContact CB-CG 4.18Å; I89-F93 HydrophobicContact CB-CE1 4.21Å; I89-F93 HydrophobicContact CB-CZ 4.16Å; I89-F93 HydrophobicContact CD1-CZ 4.3Å; I89-F93 HydrophobicContact CG2-CE1 4.21Å; I89-F93 HydrophobicContact CG2-CZ 3.96Å; D90-F93 HydrophobicContact CB-CE1 4.26Å; D90-F93 WeakPolarHBondContact O-CD1 3.29Å; D90-F93 WeakPolarHBondContact O-CE1 3.37Å; F93-D104 HydrophobicContact CE2-CB 4.42Å; F93-L105 CarbonylContact O-C 3.47Å; F93-L105 WeakPolarHBondContact O-CA 2.9Å; F93-S106 PolarHBondContact N-O 3.48Å; F93-S106 VanDerWaalsContact N-O 3.15Å; F93-S106 PolarHBondContact O-N 3.21Å; F93-E120 WeakPolarHBondContact CA-OE2 3.33Å; F93-E120 PolarHBondContact N-OE1 3.17Å |
| 94 | S | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 160.3 | 167.2 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | D10 I11 A12 E120 A124 | D10-S94 PolarHBondContact O-N 2.75Å; I11-S94 VanDerWaalsContact CA-O 3.26Å; I11-S94 WeakPolarHBondContact CA-O 3.22Å; I11-S94 WeakPolarHBondContact CG2-O 3.29Å; A12-S94 PolarHBondContact N-O 3.1Å; A12-S94 CarbonylContact O-C 3.6Å; S94-E120 VanDerWaalsContact CB-O 3.31Å; S94-E120 WeakPolarHBondContact CB-O 3.29Å; S94-E120 PolarHBondContact N-OE2 2.82Å; S94-E120 PolarHBondContact OG-O 3.14Å; S94-A124 WeakPolarHBondContact OG-CB 3.03Å; S94-A124 PolarHBondContact OG-N 2.94Å |
| 95 | D | 90.7 | Very high | 92 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | trans | -78.8 | 160.5 | 161.4 | -153.6 | 12 | 0 | 0 | 0 | 110.1 | A12 G13 K14 A15 A16 Q103 H123 A124 | A12-D95 WeakPolarHBondContact O-CA 3.25Å; A12-D95 WeakPolarHBondContact O-CB 3.25Å; A12-D95 PolarHBondContact O-N 2.8Å; A12-D95 VanDerWaalsContact O-N 3.09Å; G13-D95 VanDerWaalsContact CA-CG 3.48Å; K14-D95 WeakPolarHBondContact CA-OD2 3.15Å; K14-D95 PolarHBondContact N-OD2 2.7Å; A15-D95 WeakPolarHBondContact CA-OD1 3.27Å; A15-D95 WeakPolarHBondContact CB-OD1 3.4Å; A15-D95 VanDerWaalsContact N-CG 3.34Å; A15-D95 PolarHBondContact N-OD1 3.28Å; A15-D95 PolarHBondContact N-OD2 3.36Å; A16-D95 PolarHBondContact N-OD1 2.93Å; A16-D95 VanDerWaalsContact N-OD1 3.15Å; D95-Q103 HydrophobicContact CB-CG 3.87Å; D95-H123 CarbonylContact O-C 3.55Å; D95-A124 WeakPolarHBondContact O-CA 3.44Å; D95-A124 PolarHBondContact O-N 3.01Å | ||
| 96 | V | 90.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -91.5 | 117.2 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | I11 A15 V31 H123 W128 | I11-V96 HydrophobicContact CD1-CG2 3.89Å; I11-V96 HydrophobicContact CG1-CG2 4.44Å; I11-V96 HydrophobicContact CG2-CG2 3.72Å; A15-V96 HydrophobicContact CB-CB 4.3Å; A15-V96 WeakPolarHBondContact CB-O 3.44Å; V31-V96 HydrophobicContact CG1-CG1 3.77Å; V96-H123 CarbonylContact C-O 3.52Å; V96-H123 VanDerWaalsContact CA-O 3.29Å; V96-H123 WeakPolarHBondContact CA-O 3.4Å; V96-H123 HydrophobicContact CG2-CB 4.34Å; V96-W128 HydrophobicContact CB-CD2 4.16Å; V96-W128 HydrophobicContact CB-CE3 4.31Å; V96-W128 HydrophobicContact CB-CH2 4.04Å; V96-W128 HydrophobicContact CB-CZ2 3.86Å; V96-W128 HydrophobicContact CB-CZ3 4.27Å; V96-W128 HydrophobicContact CG1-CD2 3.99Å; V96-W128 HydrophobicContact CG1-CG 4.25Å; V96-W128 HydrophobicContact CG1-CZ2 4.09Å; V96-W128 HydrophobicContact CG2-CD2 3.78Å; V96-W128 HydrophobicContact CG2-CE3 3.58Å; V96-W128 HydrophobicContact CG2-CG 4.49Å; V96-W128 HydrophobicContact CG2-CH2 4Å; V96-W128 HydrophobicContact CG2-CZ2 4.17Å; V96-W128 HydrophobicContact CG2-CZ3 3.71Å |
| 97 | G | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 73.3 | -154.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D36 Q103 H123 A124 | D36-G97 CarbonylContact O-C 3.4Å; D36-G97 WeakPolarHBondContact O-CA 3.3Å; G97-Q103 PolarHBondContact O-NE2 2.69Å; G97-Q103 PolarHBondContact O-OE1 3.27Å; G97-H123 PolarHBondContact N-O 3.05Å; G97-A124 CarbonylContact C-O 3.47Å; G97-A124 VanDerWaalsContact CA-O 3.22Å; G97-A124 WeakPolarHBondContact CA-O 3.25Å; G97-A124 PolarHBondContact N-O 2.93Å |
| 98 | R | 93.3 | Very high | 91.2 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | trans | -90.1 | 104.6 | 178.5 | -172.7 | 178.3 | 63.6 | 92.5 | 0.2 | 111.2 | K35 D36 K37 W38 D82 | K35-R98 VanDerWaalsContact O-CZ 3.23Å; K35-R98 PolarHBondContact O-NE 3.38Å; K35-R98 PolarHBondContact O-NH2 3.41Å; D36-R98 PolarHBondContact O-N 2.82Å; K37-R98 PolarHBondContact O-NE 3.13Å; W38-R98 HydrophobicContact CD2-CB 3.85Å; W38-R98 HydrophobicContact CD2-CG 3.99Å; W38-R98 HydrophobicContact CE3-CB 4.33Å; W38-R98 HydrophobicContact CE3-CG 3.93Å; W38-R98 HydrophobicContact CG-CB 4.14Å; W38-R98 HydrophobicContact CH2-CG 4.15Å; W38-R98 HydrophobicContact CZ2-CB 4.18Å; W38-R98 HydrophobicContact CZ2-CG 4.2Å; W38-R98 HydrophobicContact CZ3-CG 4.02Å; D82-R98 HydrophobicContact CB-CG 4.42Å; D82-R98 IonicContact OD2-CZ 3.28Å; D82-R98 IonicContact OD2-NH1 2.71Å; D82-R98 PolarHBondContact OD2-NH1 3.4Å | ||
| 99 | G | 86 | Confident | 90.9 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | trans | -78 | -20.5 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | K14 | K14-G99 WeakPolarHBondContact CD-O 3.5Å; K14-G99 PolarHBondContact NZ-O 3.24Å | ||
| 100 | G | 89.4 | Confident | 90.5 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 85.1 | 151.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | K14 | K14-G100 PolarHBondContact NZ-O 3.34Š|
| 101 | G | 94.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 65.7 | -161.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S81 D82 Y83 Q103 | S81-G101 CarbonylContact O-C 3.59Å; S81-G101 VanDerWaalsContact O-CA 3.31Å; S81-G101 WeakPolarHBondContact O-CA 3.21Å; D82-G101 WeakPolarHBondContact CA-O 3.18Å; D82-G101 PolarHBondContact OD1-N 3.49Å; Y83-G101 PolarHBondContact N-O 3.05Å; Y83-G101 VanDerWaalsContact N-O 3.13Å; G101-Q103 PolarHBondContact O-N 3.33Å |
| 102 | R | 95.3 | Very high | 91 | Very high | 123 Ų | 123 | 31.6 Ų | 31.6 | 46% | 0.464 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 124.7 | 165.7 | 178.5 | -180 | 161.8 | 157.5 | -7.3 | 109.4 | Y83 D104 | Y83-R102 HydrophobicContact CD1-CB 4.45Å; Y83-R102 HydrophobicContact CE1-CB 3.71Å; Y83-R102 HydrophobicContact CE1-CG 4.33Å; Y83-R102 HydrophobicContact CE2-CB 4.21Å; Y83-R102 HydrophobicContact CE2-CG 3.9Å; R102-D104 IonicContact CZ-OD1 3.87Å; R102-D104 IonicContact NE-OD1 2.86Å; R102-D104 PolarHBondContact NE-OD1 2.84Å; R102-D104 IonicContact NH2-OD1 3.29Å; R102-D104 PolarHBondContact NH2-OD1 2.93Å; R102-D104 IonicContact NH2-OD2 2.83Å |
| 103 | Q | 95.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.2 | 172.3 | 174.2 | 175 | -45.4 | 0 | 0 | 108.5 | Y83 L84 Y85 D95 G97 G101 | Y83-Q103 PolarHBondContact O-N 3.28Å; L84-Q103 CarbonylContact C-O 3.51Å; L84-Q103 VanDerWaalsContact CA-O 3.27Å; L84-Q103 WeakPolarHBondContact CA-O 3.45Å; L84-Q103 HydrophobicContact CD2-CB 4.13Å; L84-Q103 HydrophobicContact CD2-CG 3.92Å; Y85-Q103 PolarHBondContact N-O 2.82Å; D95-Q103 HydrophobicContact CB-CG 3.87Å; G97-Q103 PolarHBondContact O-NE2 2.69Å; G97-Q103 PolarHBondContact O-OE1 3.27Å; G101-Q103 PolarHBondContact O-N 3.33Å |
| 104 | D | 95.1 | Very high | 91.3 | Very high | 58 Ų | 58 | 34.1 Ų | 34.1 | 31% | 0.31 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.4 | -179.1 | -74.4 | -24.5 | 0 | 0 | 0 | 110.6 | Y85 I89 F93 R102 | Y85-D104 WeakPolarHBondContact CD1-OD1 3.26Å; I89-D104 HydrophobicContact CD1-CB 3.49Å; I89-D104 VanDerWaalsContact CD1-CB 3.49Å; F93-D104 HydrophobicContact CE2-CB 4.42Å; R102-D104 IonicContact CZ-OD1 3.87Å; R102-D104 IonicContact NE-OD1 2.86Å; R102-D104 PolarHBondContact NE-OD1 2.84Å; R102-D104 IonicContact NH2-OD1 3.29Å; R102-D104 PolarHBondContact NH2-OD1 2.93Å; R102-D104 IonicContact NH2-OD2 2.83Å |
| 105 | L | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116.7 | 167.9 | -173.5 | 163.2 | 0 | 0 | 0 | 106.8 | L84 Y85 I86 G87 F93 L107 E120 L121 A124 | L84-L105 HydrophobicContact CD1-CD1 4.19Å; Y85-L105 PolarHBondContact O-N 3.22Å; I86-L105 VanDerWaalsContact CA-O 3.31Å; I86-L105 WeakPolarHBondContact CA-O 3.45Å; I86-L105 HydrophobicContact CG1-CB 4.24Å; I86-L105 HydrophobicContact CG1-CD2 4.45Å; I86-L105 HydrophobicContact CG2-CD2 4.26Å; G87-L105 PolarHBondContact N-O 2.68Å; F93-L105 CarbonylContact O-C 3.47Å; F93-L105 WeakPolarHBondContact O-CA 2.9Å; L105-L107 HydrophobicContact CD2-CD1 3.99Å; L105-L107 HydrophobicContact CD2-CD2 3.88Å; L105-L107 HydrophobicContact CD2-CG 3.54Å; L105-E120 HydrophobicContact CD1-CB 4.44Å; L105-E120 HydrophobicContact CD2-CB 4.14Å; L105-E120 HydrophobicContact CG-CB 4.39Å; L105-L121 HydrophobicContact CD1-CD2 3.81Å; L105-A124 HydrophobicContact CD1-CB 4.15Å |
| 106 | S | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.2 | -176.7 | -171 | 0 | 0 | 0 | 0 | 111 | G87 I89 D90 G91 C92 F93 | G87-S106 VanDerWaalsContact O-CA 3.3Å; G87-S106 WeakPolarHBondContact O-CA 2.76Å; I89-S106 PolarHBondContact N-OG 3.14Å; D90-S106 PolarHBondContact N-OG 3.41Å; G91-S106 CarbonylContact O-C 3.25Å; G91-S106 VanDerWaalsContact O-CB 3.31Å; G91-S106 WeakPolarHBondContact O-CB 3.47Å; G91-S106 PolarHBondContact O-OG 3.15Å; C92-S106 WeakPolarHBondContact CA-O 3.3Å; F93-S106 PolarHBondContact N-O 3.48Å; F93-S106 VanDerWaalsContact N-O 3.15Å; F93-S106 PolarHBondContact O-N 3.21Å |
| 107 | L | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 79.6 | 166.7 | -59.7 | 170.6 | 0 | 0 | 0 | 107.8 | Y51 I59 I86 G87 L105 C111 L112 I117 E120 | Y51-L107 WeakPolarHBondContact CE1-O 3.07Å; Y51-L107 PolarHBondContact OH-O 3.26Å; I59-L107 HydrophobicContact CD1-CD1 4.28Å; I59-L107 HydrophobicContact CG1-CD1 4.12Å; I86-L107 HydrophobicContact CG2-CD1 3.69Å; I86-L107 HydrophobicContact CG2-CG 4.32Å; G87-L107 PolarHBondContact O-N 3.27Å; L105-L107 HydrophobicContact CD2-CD1 3.99Å; L105-L107 HydrophobicContact CD2-CD2 3.88Å; L105-L107 HydrophobicContact CD2-CG 3.54Å; L107-C111 HydrophobicContact CB-CB 4.34Å; L107-C111 HydrophobicContact CD2-CB 4.23Å; L107-L112 HydrophobicContact CB-CD2 4Å; L107-L112 HydrophobicContact CD1-CD2 4.42Å; L107-I117 HydrophobicContact CD1-CD1 4.4Å; L107-I117 HydrophobicContact CD1-CG1 3.84Å; L107-I117 HydrophobicContact CD1-CG2 4.18Å; L107-I117 HydrophobicContact CD2-CG1 4Å; L107-E120 HydrophobicContact CD2-CB 4.19Å; L107-E120 HydrophobicContact CD2-CG 4.01Å |
| 108 | D | 88.1 | Confident | 91.9 | Very high | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.193 | 20% | 0.199 | C | C | . | . | trans | -78.1 | -174.8 | -179.8 | -155.7 | 0.4 | 0 | 0 | 0 | 112.3 | R88 G91 G110 C111 | R88-D108 IonicContact NH1-OD1 2.91Å; G91-D108 WeakPolarHBondContact O-CB 3.22Å; G91-D108 PolarHBondContact O-N 3.09Å; D108-G110 PolarHBondContact O-N 3.41Å; D108-C111 WeakPolarHBondContact O-CB 3.39Å; D108-C111 PolarHBondContact O-N 2.76Å | ||
| 109 | Y | 82.7 | Confident | 92 | Very high | 178 Ų | 178 | 35.7 Ų | 35.7 | 70% | 0.698 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 126.7 | 170.4 | -63.2 | -76 | 0 | 0 | 0 | 110.5 | ||
| 110 | G | 81.3 | Confident | 92.6 | Very high | 73 Ų | 73 | 35.4 Ų | 35.4 | 75% | 0.753 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -8.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D108 | D108-G110 PolarHBondContact O-N 3.41Š|
| 111 | C | 89.1 | Confident | 93 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -105.3 | 4.6 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 113.7 | C92 L107 D108 D113 T116 | C92-C111 WeakPolarHBondContact CA-SG 3.37Å; C92-C111 HydrophobicContact CB-CB 3.86Å; C92-C111 WeakPolarHBondContact CB-SG 3.27Å; C92-C111 PolarHBondContact N-SG 3.06Å; C92-C111 WeakPolarHBondContact SG-CB 3.37Å; C92-C111 CovalentContact SG-SG 2.03Å; C92-C111 PolarHBondContact SG-SG 3.24Å; L107-C111 HydrophobicContact CB-CB 4.34Å; L107-C111 HydrophobicContact CD2-CB 4.23Å; D108-C111 WeakPolarHBondContact O-CB 3.39Å; D108-C111 PolarHBondContact O-N 2.76Å; C111-D113 VanDerWaalsContact C-N 3.32Å; C111-D113 PolarHBondContact O-N 3.5Å; C111-T116 HydrophobicContact CB-CG2 4.02Å | ||
| 112 | L | 90.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | trans | -97 | 36.6 | -170 | -71.8 | 165.1 | 0 | 0 | 0 | 113.2 | Y51 E55 I59 L107 I117 | Y51-L112 HydrophobicContact CD1-CD1 4.08Å; Y51-L112 HydrophobicContact CD1-CD2 4.32Å; Y51-L112 HydrophobicContact CE1-CD1 3.97Å; Y51-L112 HydrophobicContact CE1-CD2 3.94Å; E55-L112 HydrophobicContact CB-CD1 4.03Å; E55-L112 HydrophobicContact CB-CD2 4.4Å; E55-L112 HydrophobicContact CG-CD1 3.68Å; E55-L112 VanDerWaalsContact OE1-CD1 3.26Å; E55-L112 WeakPolarHBondContact OE1-CD1 3.42Å; I59-L112 HydrophobicContact CD1-CD2 3.99Å; I59-L112 HydrophobicContact CG1-CD2 4.06Å; L107-L112 HydrophobicContact CB-CD2 4Å; L107-L112 HydrophobicContact CD1-CD2 4.42Å; L112-I117 HydrophobicContact CD2-CD1 4.25Å | ||
| 113 | D | 89.7 | Confident | 93.2 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 28% | 0.278 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -100.9 | 160.8 | 166.1 | 57.8 | -82.1 | 0 | 0 | 0 | 111.2 | C111 D115 T116 I117 | C111-D113 VanDerWaalsContact C-N 3.32Å; C111-D113 PolarHBondContact O-N 3.5Å; D113-D115 PolarHBondContact O-N 3.09Å; D113-D115 VanDerWaalsContact OD2-CG 3.31Å; D113-D115 VanDerWaalsContact OD2-OD1 3.05Å; D113-T116 VanDerWaalsContact CG-OG1 3.22Å; D113-T116 PolarHBondContact OD1-OG1 2.99Å; D113-T116 VanDerWaalsContact OD1-OG1 3.07Å; D113-T116 WeakPolarHBondContact OD2-CB 3.21Å; D113-T116 PolarHBondContact OD2-N 3.26Å; D113-T116 PolarHBondContact OD2-OG1 3.32Å; D113-I117 WeakPolarHBondContact O-CD1 3.01Å; D113-I117 WeakPolarHBondContact O-CG1 3.41Å; D113-I117 PolarHBondContact O-N 3.16Å; D113-I117 VanDerWaalsContact O-N 3.17Å |
| 114 | Y | 95.4 | Very high | 93.2 | Very high | 46 Ų | 46 | 27.2 Ų | 27.2 | 18% | 0.18 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -46.2 | -170.3 | 168.6 | -92.8 | 0 | 0 | 0 | 112.4 | R61 S62 A65 R69 I117 I118 K206 D207 | R61-Y114 HydrophobicContact CG-CD2 4.41Å; S62-Y114 WeakPolarHBondContact OG-CD2 3.4Å; S62-Y114 PolarHBondContact OG-O 3.45Å; A65-Y114 HydrophobicContact CB-CE2 3.97Å; A65-Y114 WeakPolarHBondContact CB-OH 3.04Å; R69-Y114 PolarHBondContact NH1-OH 3.07Å; Y114-I117 PolarHBondContact O-N 3.41Å; Y114-I118 HydrophobicContact CD1-CG1 4.18Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 4.01Å; Y114-I118 HydrophobicContact CE1-CG1 3.82Å; Y114-I118 HydrophobicContact CE2-CD1 3.84Å; Y114-I118 HydrophobicContact CE2-CG1 4.05Å; Y114-I118 HydrophobicContact CG-CG1 4.45Å; Y114-I118 VanDerWaalsContact CZ-CD1 3.49Å; Y114-I118 WeakPolarHBondContact O-CG1 3.41Å; Y114-I118 PolarHBondContact O-N 3.39Å; Y114-I118 WeakPolarHBondContact OH-CD1 2.99Å; Y114-K206 WeakPolarHBondContact CD1-O 3.4Å; Y114-K206 WeakPolarHBondContact CE1-O 3.17Å; Y114-D207 HydrophobicContact CE1-CB 4.17Å; Y114-D207 VanDerWaalsContact OH-CG 3.26Å; Y114-D207 PolarHBondContact OH-OD1 3.31Å; Y114-D207 PolarHBondContact OH-OD2 3.11Å |
| 115 | D | 93.2 | Very high | 93.3 | Very high | 32 Ų | 32 | 24.4 Ų | 24.4 | 17% | 0.171 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.3 | -44.8 | -175.5 | 40.7 | -51.5 | 0 | 0 | 0 | 112.5 | D113 I117 I118 H119 I175 K206 | D113-D115 PolarHBondContact O-N 3.09Å; D113-D115 VanDerWaalsContact OD2-CG 3.31Å; D113-D115 VanDerWaalsContact OD2-OD1 3.05Å; D115-I117 VanDerWaalsContact C-N 3.32Å; D115-I117 PolarHBondContact O-N 3.16Å; D115-I118 PolarHBondContact O-N 3.05Å; D115-H119 WeakPolarHBondContact O-CB 3.35Å; D115-H119 PolarHBondContact O-N 3.07Å; D115-I175 HydrophobicContact CB-CD1 4.18Å; D115-K206 HydrophobicContact CB-CD 4.29Å; D115-K206 WeakPolarHBondContact OD2-CD 3.32Å; D115-K206 IonicContact OD2-NZ 4Å; D115-K206 PolarHBondContact OD2-NZ 2.91Å |
| 116 | T | 91.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 21% | 0.209 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 111 | C92 C111 D113 I118 H119 E120 | C92-T116 HydrophobicContact CB-CG2 4.14Å; C111-T116 HydrophobicContact CB-CG2 4.02Å; D113-T116 VanDerWaalsContact CG-OG1 3.22Å; D113-T116 PolarHBondContact OD1-OG1 2.99Å; D113-T116 VanDerWaalsContact OD1-OG1 3.07Å; D113-T116 WeakPolarHBondContact OD2-CB 3.21Å; D113-T116 PolarHBondContact OD2-N 3.26Å; D113-T116 PolarHBondContact OD2-OG1 3.32Å; T116-I118 VanDerWaalsContact C-N 3.34Å; T116-I118 PolarHBondContact O-N 3.26Å; T116-H119 WeakPolarHBondContact O-CB 3.3Å; T116-H119 PolarHBondContact O-N 3.17Å; T116-E120 HydrophobicContact CG2-CG 4.38Å; T116-E120 WeakPolarHBondContact O-CG 3.43Å; T116-E120 PolarHBondContact O-N 2.79Å |
| 117 | I | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 177.6 | -62.5 | 167.3 | 0 | 0 | 0 | 111.1 | V58 I59 L107 L112 D113 Y114 D115 H119 L121 | V58-I117 HydrophobicContact CB-CD1 4.34Å; V58-I117 HydrophobicContact CG1-CD1 3.77Å; I59-I117 HydrophobicContact CG1-CD1 3.92Å; L107-I117 HydrophobicContact CD1-CD1 4.4Å; L107-I117 HydrophobicContact CD1-CG1 3.84Å; L107-I117 HydrophobicContact CD1-CG2 4.18Å; L107-I117 HydrophobicContact CD2-CG1 4Å; L112-I117 HydrophobicContact CD2-CD1 4.25Å; D113-I117 WeakPolarHBondContact O-CD1 3.01Å; D113-I117 WeakPolarHBondContact O-CG1 3.41Å; D113-I117 PolarHBondContact O-N 3.16Å; D113-I117 VanDerWaalsContact O-N 3.17Å; Y114-I117 PolarHBondContact O-N 3.41Å; D115-I117 VanDerWaalsContact C-N 3.32Å; D115-I117 PolarHBondContact O-N 3.16Å; I117-H119 VanDerWaalsContact C-N 3.31Å; I117-H119 PolarHBondContact O-N 3.19Å; I117-L121 HydrophobicContact CG2-CD1 3.73Å; I117-L121 HydrophobicContact CG2-CG 4.09Å; I117-L121 VanDerWaalsContact O-CB 3.27Å; I117-L121 WeakPolarHBondContact O-CB 3.37Å; I117-L121 WeakPolarHBondContact O-CG 3.2Å; I117-L121 PolarHBondContact O-N 2.96Å |
| 118 | I | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.8 | -66 | -100.6 | 0 | 0 | 0 | 110 | A65 Y66 Y114 D115 T116 L121 M122 I175 F208 | A65-I118 HydrophobicContact CB-CD1 3.7Å; Y66-I118 HydrophobicContact CE2-CD1 4.26Å; Y66-I118 HydrophobicContact CE2-CG2 4.38Å; Y66-I118 PolarHBondContact OH-O 2.68Å; Y114-I118 HydrophobicContact CD1-CG1 4.18Å; Y114-I118 HydrophobicContact CD2-CG1 4.37Å; Y114-I118 HydrophobicContact CE1-CD1 4.01Å; Y114-I118 HydrophobicContact CE1-CG1 3.82Å; Y114-I118 HydrophobicContact CE2-CD1 3.84Å; Y114-I118 HydrophobicContact CE2-CG1 4.05Å; Y114-I118 HydrophobicContact CG-CG1 4.45Å; Y114-I118 VanDerWaalsContact CZ-CD1 3.49Å; Y114-I118 WeakPolarHBondContact O-CG1 3.41Å; Y114-I118 PolarHBondContact O-N 3.39Å; Y114-I118 WeakPolarHBondContact OH-CD1 2.99Å; D115-I118 PolarHBondContact O-N 3.05Å; T116-I118 VanDerWaalsContact C-N 3.34Å; T116-I118 PolarHBondContact O-N 3.26Å; I118-L121 PolarHBondContact O-N 3.13Å; I118-M122 WeakPolarHBondContact O-CB 3.17Å; I118-M122 PolarHBondContact O-N 3.34Å; I118-I175 HydrophobicContact CB-CD1 3.94Å; I118-I175 HydrophobicContact CG2-CD1 3.7Å; I118-I175 HydrophobicContact CG2-CG2 4.37Å; I118-F208 HydrophobicContact CD1-CD2 4.22Å; I118-F208 HydrophobicContact CD1-CE2 3.43Å; I118-F208 VanDerWaalsContact CD1-CE2 3.43Å; I118-F208 HydrophobicContact CD1-CZ 3.67Å; I118-F208 HydrophobicContact CG2-CD1 3.85Å; I118-F208 HydrophobicContact CG2-CD2 4.29Å; I118-F208 HydrophobicContact CG2-CE1 3.38Å; I118-F208 HydrophobicContact CG2-CE2 3.9Å; I118-F208 HydrophobicContact CG2-CG 4.29Å; I118-F208 HydrophobicContact CG2-CZ 3.42Å; I118-F208 VanDerWaalsContact CG2-CZ 3.42Å |
| 119 | H | 96.4 | Very high | 93.2 | Very high | 25 Ų | 25 | 23 Ų | 23 | 12% | 0.116 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -53.5 | 179.5 | -173.7 | 107.4 | 0 | 0 | 0 | 111.9 | D10 D115 T116 I117 L121 M122 H123 H129 I175 | D10-H119 IonicContact OD2-CD2 2.69Å; D10-H119 IonicContact OD2-NE2 3.71Å; D10-H119 PolarHBondContact OD2-NE2 2.84Å; D115-H119 WeakPolarHBondContact O-CB 3.35Å; D115-H119 PolarHBondContact O-N 3.07Å; T116-H119 WeakPolarHBondContact O-CB 3.3Å; T116-H119 PolarHBondContact O-N 3.17Å; I117-H119 VanDerWaalsContact C-N 3.31Å; I117-H119 PolarHBondContact O-N 3.19Å; H119-L121 VanDerWaalsContact C-N 3.34Å; H119-L121 PolarHBondContact O-N 3.14Å; H119-M122 WeakPolarHBondContact O-CA 3.41Å; H119-M122 VanDerWaalsContact O-CB 3.3Å; H119-M122 WeakPolarHBondContact O-CB 3.2Å; H119-M122 PolarHBondContact O-N 3.01Å; H119-H123 AromaticContact CD2-CD2 3.73Å; H119-H123 AromaticContact CD2-NE2 3.51Å; H119-H123 AromaticContact NE2-CD2 3.86Å; H119-H123 AromaticContact NE2-CE1 3.87Å; H119-H123 AromaticContact NE2-NE2 3.13Å; H119-H123 PolarHBondContact NE2-NE2 3.44Å; H119-H123 VanDerWaalsContact NE2-NE2 3.13Å; H119-H123 PolarHBondContact O-N 2.81Å; H119-H123 VanDerWaalsContact O-N 3.07Å; H119-H129 AromaticContact CE1-CD2 3.71Å; H119-H129 AromaticContact CE1-NE2 3.65Å; H119-H129 AromaticContact NE2-CD2 3.73Å; H119-H129 AromaticContact NE2-NE2 3.28Å; H119-H129 PolarHBondContact NE2-NE2 3.06Å; H119-I175 HydrophobicContact CB-CG1 4.43Å; H119-I175 PolarHBondContact CE1-O 2.79Å; H119-I175 PolarHBondContact ND1-O 2.65Å |
| 120 | E | 97.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | -179.4 | -63.2 | -62.9 | 177.3 | 0 | 0 | 112.3 | C92 F93 S94 L105 L107 T116 M122 H123 A124 | C92-E120 HydrophobicContact CB-CG 4.42Å; C92-E120 WeakPolarHBondContact CB-OE1 3.46Å; F93-E120 WeakPolarHBondContact CA-OE2 3.33Å; F93-E120 PolarHBondContact N-OE1 3.17Å; S94-E120 VanDerWaalsContact CB-O 3.31Å; S94-E120 WeakPolarHBondContact CB-O 3.29Å; S94-E120 PolarHBondContact N-OE2 2.82Å; S94-E120 PolarHBondContact OG-O 3.14Å; L105-E120 HydrophobicContact CD1-CB 4.44Å; L105-E120 HydrophobicContact CD2-CB 4.14Å; L105-E120 HydrophobicContact CG-CB 4.39Å; L107-E120 HydrophobicContact CD2-CB 4.19Å; L107-E120 HydrophobicContact CD2-CG 4.01Å; T116-E120 HydrophobicContact CG2-CG 4.38Å; T116-E120 WeakPolarHBondContact O-CG 3.43Å; T116-E120 PolarHBondContact O-N 2.79Å; E120-M122 PolarHBondContact O-N 2.71Å; E120-H123 WeakPolarHBondContact O-CB 3.1Å; E120-H123 PolarHBondContact O-N 2.91Å; E120-H123 IonicContact OE2-CD2 3.77Å; E120-A124 PolarHBondContact O-N 3.14Å |
| 121 | L | 98.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.4 | -30.8 | 171.7 | -69.4 | 177.2 | 0 | 0 | 0 | 111.3 | M63 Y66 F74 I86 L105 I117 I118 H119 A124 V125 | M63-L121 HydrophobicContact CG-CD1 4Å; Y66-L121 HydrophobicContact CD2-CD1 4.29Å; Y66-L121 HydrophobicContact CE2-CB 3.6Å; Y66-L121 HydrophobicContact CE2-CD1 3.94Å; Y66-L121 HydrophobicContact CE2-CG 4.45Å; F74-L121 HydrophobicContact CD1-CD2 4.31Å; F74-L121 HydrophobicContact CE1-CD2 3.66Å; F74-L121 HydrophobicContact CE1-CG 4.49Å; F74-L121 HydrophobicContact CE2-CD1 4.28Å; F74-L121 HydrophobicContact CZ-CB 3.92Å; F74-L121 HydrophobicContact CZ-CD1 4.19Å; F74-L121 HydrophobicContact CZ-CD2 3.86Å; F74-L121 HydrophobicContact CZ-CG 4.21Å; I86-L121 HydrophobicContact CD1-CD2 4.4Å; L105-L121 HydrophobicContact CD1-CD2 3.81Å; I117-L121 HydrophobicContact CG2-CD1 3.73Å; I117-L121 HydrophobicContact CG2-CG 4.09Å; I117-L121 VanDerWaalsContact O-CB 3.27Å; I117-L121 WeakPolarHBondContact O-CB 3.37Å; I117-L121 WeakPolarHBondContact O-CG 3.2Å; I117-L121 PolarHBondContact O-N 2.96Å; I118-L121 PolarHBondContact O-N 3.13Å; H119-L121 VanDerWaalsContact C-N 3.34Å; H119-L121 PolarHBondContact O-N 3.14Å; L121-A124 WeakPolarHBondContact O-CB 3.4Å; L121-A124 PolarHBondContact O-N 3.18Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.31Å; L121-V125 PolarHBondContact O-N 3.2Å |
| 122 | M | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -72.9 | -34.1 | -179.4 | -159.5 | 168.8 | 158.9 | 0 | 0 | 111.2 | Y66 I118 H119 E120 V125 G126 F127 I175 M176 F208 D212 I216 | Y66-M122 WeakPolarHBondContact OH-CA 3.3Å; Y66-M122 WeakPolarHBondContact OH-CB 3.29Å; Y66-M122 PolarHBondContact OH-N 2.86Å; I118-M122 WeakPolarHBondContact O-CB 3.17Å; I118-M122 PolarHBondContact O-N 3.34Å; H119-M122 WeakPolarHBondContact O-CA 3.41Å; H119-M122 VanDerWaalsContact O-CB 3.3Å; H119-M122 WeakPolarHBondContact O-CB 3.2Å; H119-M122 PolarHBondContact O-N 3.01Å; E120-M122 PolarHBondContact O-N 2.71Å; M122-V125 WeakPolarHBondContact O-CB 3.15Å; M122-V125 PolarHBondContact O-N 3.48Å; M122-G126 PolarHBondContact O-N 2.71Å; M122-F127 HydrophobicContact CE-CB 3.97Å; M122-F127 HydrophobicContact CE-CD1 4.03Å; M122-F127 HydrophobicContact CE-CD2 3.77Å; M122-F127 HydrophobicContact CE-CE2 4.33Å; M122-F127 HydrophobicContact CE-CG 3.61Å; M122-F127 HydrophobicContact CG-CB 4.02Å; M122-F127 HydrophobicContact CG-CD2 3.86Å; M122-F127 HydrophobicContact CG-CG 4.18Å; M122-F127 PolarHBondContact O-N 2.72Å; M122-I175 HydrophobicContact SD-CG2 3.8Å; M122-M176 HydrophobicContact CB-CE 4.33Å; M122-M176 HydrophobicContact CB-SD 3.54Å; M122-M176 VanDerWaalsContact CB-SD 3.54Å; M122-M176 HydrophobicContact CE-CG 3.69Å; M122-M176 HydrophobicContact CG-CG 4.16Å; M122-M176 HydrophobicContact CG-SD 3.83Å; M122-M176 HydrophobicContact SD-CG 3.49Å; M122-M176 WeakPolarHBondContact SD-CG 3.38Å; M122-M176 HydrophobicContact SD-SD 3.66Å; M122-M176 VanDerWaalsContact SD-SD 3.66Å; M122-F208 HydrophobicContact SD-CD1 4.2Å; M122-F208 HydrophobicContact SD-CE1 4.24Å; M122-D212 HydrophobicContact CE-CB 3.83Å; M122-D212 HydrophobicContact SD-CB 4.24Å; M122-I216 HydrophobicContact CE-CD1 4.18Å; M122-I216 HydrophobicContact CE-CG1 4.25Å; M122-I216 HydrophobicContact CG-CD1 4.4Å; M122-I216 HydrophobicContact SD-CD1 4.24Å |
| 123 | H | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.2 | -54.3 | 164.4 | -74.4 | -44.4 | 0 | 0 | 0 | 111.1 | D10 D95 V96 G97 H119 E120 V125 G126 F127 H129 M176 | D10-H123 IonicContact OD1-NE2 3.67Å; D10-H123 PolarHBondContact OD1-NE2 3.2Å; D10-H123 IonicContact OD2-NE2 3.18Å; D95-H123 CarbonylContact O-C 3.55Å; V96-H123 CarbonylContact C-O 3.52Å; V96-H123 VanDerWaalsContact CA-O 3.29Å; V96-H123 WeakPolarHBondContact CA-O 3.4Å; V96-H123 HydrophobicContact CG2-CB 4.34Å; G97-H123 PolarHBondContact N-O 3.05Å; H119-H123 AromaticContact CD2-CD2 3.73Å; H119-H123 AromaticContact CD2-NE2 3.51Å; H119-H123 AromaticContact NE2-CD2 3.86Å; H119-H123 AromaticContact NE2-CE1 3.87Å; H119-H123 AromaticContact NE2-NE2 3.13Å; H119-H123 PolarHBondContact NE2-NE2 3.44Å; H119-H123 VanDerWaalsContact NE2-NE2 3.13Å; H119-H123 PolarHBondContact O-N 2.81Å; H119-H123 VanDerWaalsContact O-N 3.07Å; E120-H123 WeakPolarHBondContact O-CB 3.1Å; E120-H123 PolarHBondContact O-N 2.91Å; E120-H123 IonicContact OE2-CD2 3.77Å; H123-V125 VanDerWaalsContact C-N 3.26Å; H123-V125 PolarHBondContact O-N 2.88Å; H123-G126 VanDerWaalsContact O-CA 3.25Å; H123-G126 WeakPolarHBondContact O-CA 3.43Å; H123-G126 PolarHBondContact O-N 2.86Å; H123-F127 WeakPolarHBondContact CA-O 3.5Å; H123-F127 PolarHBondContact ND1-O 3.17Å; H123-H129 AromaticContact CE1-CD2 3.99Å; H123-H129 AromaticContact CE1-CE1 3.74Å; H123-H129 AromaticContact CE1-NE2 3.65Å; H123-H129 AromaticContact NE2-CE1 3.78Å; H123-H129 AromaticContact NE2-NE2 3.53Å; H123-M176 WeakPolarHBondContact CE1-CE 3.42Å; H123-M176 VanDerWaalsContact ND1-CE 3.32Å; H123-M176 WeakPolarHBondContact ND1-CE 3.15Å |
| 124 | A | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.1 | -37.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W38 L84 S94 D95 G97 L105 E120 L121 G126 | W38-A124 PolarHBondContact NE1-O 2.77Å; L84-A124 HydrophobicContact CD1-CB 3.71Å; L84-A124 HydrophobicContact CD2-CB 4.04Å; L84-A124 HydrophobicContact CG-CB 4.5Å; S94-A124 WeakPolarHBondContact OG-CB 3.03Å; S94-A124 PolarHBondContact OG-N 2.94Å; D95-A124 WeakPolarHBondContact O-CA 3.44Å; D95-A124 PolarHBondContact O-N 3.01Å; G97-A124 CarbonylContact C-O 3.47Å; G97-A124 VanDerWaalsContact CA-O 3.22Å; G97-A124 WeakPolarHBondContact CA-O 3.25Å; G97-A124 PolarHBondContact N-O 2.93Å; L105-A124 HydrophobicContact CD1-CB 4.15Å; E120-A124 PolarHBondContact O-N 3.14Å; L121-A124 WeakPolarHBondContact O-CB 3.4Å; L121-A124 PolarHBondContact O-N 3.18Å; A124-G126 PolarHBondContact O-N 2.96Å |
| 125 | V | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.2 | -34.1 | 173.3 | 165.5 | 0 | 0 | 0 | 0 | 110.9 | I43 Y66 V72 F74 L121 M122 H123 F127 I216 M219 Y220 | I43-V125 HydrophobicContact CD1-CG2 3.73Å; Y66-V125 HydrophobicContact CD1-CG2 4.29Å; Y66-V125 HydrophobicContact CE1-CG2 3.77Å; V72-V125 HydrophobicContact CG1-CG2 4.15Å; F74-V125 HydrophobicContact CZ-CG2 3.94Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.31Å; L121-V125 PolarHBondContact O-N 3.2Å; M122-V125 WeakPolarHBondContact O-CB 3.15Å; M122-V125 PolarHBondContact O-N 3.48Å; H123-V125 VanDerWaalsContact C-N 3.26Å; H123-V125 PolarHBondContact O-N 2.88Å; V125-F127 HydrophobicContact CG1-CD2 4.1Å; V125-F127 HydrophobicContact CG1-CE2 3.99Å; V125-I216 HydrophobicContact CG1-CG1 4.33Å; V125-I216 HydrophobicContact CG1-CG2 4.19Å; V125-M219 HydrophobicContact CG1-CE 3.91Å; V125-M219 WeakPolarHBondContact O-CE 3.46Å; V125-Y220 HydrophobicContact CG1-CD2 4.44Å; V125-Y220 HydrophobicContact CG1-CE2 3.62Å; V125-Y220 PolarHBondContact O-OH 2.7Å |
| 126 | G | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 133.3 | 25.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G30 V31 M122 H123 A124 | G30-G126 CarbonylContact C-O 3.45Å; G30-G126 VanDerWaalsContact CA-O 3.26Å; G30-G126 WeakPolarHBondContact CA-O 3.45Å; V31-G126 WeakPolarHBondContact CG1-O 3.22Å; V31-G126 PolarHBondContact N-O 3.1Å; M122-G126 PolarHBondContact O-N 2.71Å; H123-G126 VanDerWaalsContact O-CA 3.25Å; H123-G126 WeakPolarHBondContact O-CA 3.43Å; H123-G126 PolarHBondContact O-N 2.86Å; A124-G126 PolarHBondContact O-N 2.96Å |
| 127 | F | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | B | Isolated β-bridge | trans | -106.3 | 139.5 | 179.6 | -69.1 | -88.4 | 0 | 0 | 0 | 112.7 | N29 M122 H123 V125 Y166 K215 I216 M219 | N29-F127 CarbonylContact O-C 3.44Å; N29-F127 VanDerWaalsContact O-CA 3.27Å; N29-F127 WeakPolarHBondContact O-CA 3.35Å; N29-F127 VanDerWaalsContact O-CD1 3.27Å; N29-F127 WeakPolarHBondContact O-CD1 3.47Å; M122-F127 HydrophobicContact CE-CB 3.97Å; M122-F127 HydrophobicContact CE-CD1 4.03Å; M122-F127 HydrophobicContact CE-CD2 3.77Å; M122-F127 HydrophobicContact CE-CE2 4.33Å; M122-F127 HydrophobicContact CE-CG 3.61Å; M122-F127 HydrophobicContact CG-CB 4.02Å; M122-F127 HydrophobicContact CG-CD2 3.86Å; M122-F127 HydrophobicContact CG-CG 4.18Å; M122-F127 PolarHBondContact O-N 2.72Å; H123-F127 WeakPolarHBondContact CA-O 3.5Å; H123-F127 PolarHBondContact ND1-O 3.17Å; V125-F127 HydrophobicContact CG1-CD2 4.1Å; V125-F127 HydrophobicContact CG1-CE2 3.99Å; F127-Y166 HydrophobicContact CE1-CD2 4.41Å; F127-Y166 HydrophobicContact CE1-CE2 4.22Å; F127-Y166 HydrophobicContact CZ-CE2 4.36Å; F127-K215 HydrophobicContact CE1-CB 3.62Å; F127-K215 HydrophobicContact CE1-CD 4.33Å; F127-K215 HydrophobicContact CE1-CG 4.47Å; F127-K215 HydrophobicContact CZ-CB 3.83Å; F127-I216 HydrophobicContact CD2-CG1 4.15Å; F127-I216 HydrophobicContact CE2-CB 4.25Å; F127-I216 HydrophobicContact CE2-CG1 3.47Å; F127-I216 VanDerWaalsContact CE2-CG1 3.47Å; F127-I216 HydrophobicContact CZ-CG1 4.03Å; F127-M219 HydrophobicContact CD2-CE 4.02Å; F127-M219 HydrophobicContact CE2-CE 3.31Å; F127-M219 HydrophobicContact CE2-SD 4.01Å; F127-M219 HydrophobicContact CZ-CB 4.26Å; F127-M219 HydrophobicContact CZ-CE 3.77Å; F127-M219 HydrophobicContact CZ-SD 3.85Å |
| 128 | W | 90.7 | Very high | 93 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 2% | 0.023 | 7% | 0.069 | C | C | . | . | trans | -87.7 | 174.4 | 164.5 | -61.1 | 99.2 | 0 | 0 | 0 | 109.1 | Y7 I11 A15 R19 N29 V96 A158 | Y7-W128 AromaticContact CD1-CZ3 3.87Å; Y7-W128 HydrophobicContact CD1-CZ3 3.87Å; Y7-W128 HydrophobicContact CE1-CE3 4.37Å; Y7-W128 AromaticContact CE1-CZ3 3.88Å; Y7-W128 HydrophobicContact CE1-CZ3 3.88Å; I11-W128 HydrophobicContact CD1-CE3 3.38Å; I11-W128 HydrophobicContact CD1-CZ3 3.61Å; I11-W128 HydrophobicContact CG2-CZ3 3.9Å; A15-W128 HydrophobicContact CB-CH2 4.33Å; A15-W128 HydrophobicContact CB-CZ2 4.39Å; R19-W128 HydrophobicContact CB-CH2 4.29Å; R19-W128 VanDerWaalsContact CD-CH2 3.49Å; R19-W128 VanDerWaalsContact NH1-CZ3 3.27Å; N29-W128 PolarHBondContact O-N 2.93Å; V96-W128 HydrophobicContact CB-CD2 4.16Å; V96-W128 HydrophobicContact CB-CE3 4.31Å; V96-W128 HydrophobicContact CB-CH2 4.04Å; V96-W128 HydrophobicContact CB-CZ2 3.86Å; V96-W128 HydrophobicContact CB-CZ3 4.27Å; V96-W128 HydrophobicContact CG1-CD2 3.99Å; V96-W128 HydrophobicContact CG1-CG 4.25Å; V96-W128 HydrophobicContact CG1-CZ2 4.09Å; V96-W128 HydrophobicContact CG2-CD2 3.78Å; V96-W128 HydrophobicContact CG2-CE3 3.58Å; V96-W128 HydrophobicContact CG2-CG 4.49Å; V96-W128 HydrophobicContact CG2-CH2 4Å; V96-W128 HydrophobicContact CG2-CZ2 4.17Å; V96-W128 HydrophobicContact CG2-CZ3 3.71Å; W128-A158 HydrophobicContact CG-CB 4.36Å | ||
| 129 | H | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -66.5 | 152.2 | 176.9 | -64.7 | 111.8 | 0 | 0 | 0 | 113.2 | Q8 D10 H119 H123 H131 E132 M176 Y178 | Q8-H129 PolarHBondContact O-CE1 3.35Å; D10-H129 IonicContact OD1-CE1 2.88Å; D10-H129 PolarHBondContact OD1-CE1 3.19Å; D10-H129 IonicContact OD1-NE2 2.77Å; D10-H129 PolarHBondContact OD1-NE2 3.04Å; D10-H129 IonicContact OD2-CE1 3.26Å; D10-H129 IonicContact OD2-NE2 2.83Å; D10-H129 PolarHBondContact OD2-NE2 3.12Å; H119-H129 AromaticContact CE1-CD2 3.71Å; H119-H129 AromaticContact CE1-NE2 3.65Å; H119-H129 AromaticContact NE2-CD2 3.73Å; H119-H129 AromaticContact NE2-NE2 3.28Å; H119-H129 PolarHBondContact NE2-NE2 3.06Å; H123-H129 AromaticContact CE1-CD2 3.99Å; H123-H129 AromaticContact CE1-CE1 3.74Å; H123-H129 AromaticContact CE1-NE2 3.65Å; H123-H129 AromaticContact NE2-CE1 3.78Å; H123-H129 AromaticContact NE2-NE2 3.53Å; H129-H131 WeakPolarHBondContact CB-CE1 3.12Å; H129-H131 VanDerWaalsContact CB-ND1 3.3Å; H129-H131 WeakPolarHBondContact CB-ND1 3.16Å; H129-H131 AromaticContact CG-CE1 3.66Å; H129-H131 AromaticContact ND1-CE1 3.94Å; H129-E132 HydrophobicContact CB-CG 4.02Å; H129-E132 WeakPolarHBondContact O-CB 3.31Å; H129-E132 PolarHBondContact O-N 2.73Å; H129-E132 VanDerWaalsContact O-N 3.17Å; H129-M176 CarbonylContact C-O 3.51Å; H129-M176 WeakPolarHBondContact CA-O 3.47Å; H129-M176 WeakPolarHBondContact CB-O 3.39Å; H129-M176 PolarHBondContact CD2-O 3.24Å; H129-Y178 AromaticContact CD2-CD1 3.86Å; H129-Y178 AromaticContact CD2-CE1 3.56Å; H129-Y178 AromaticContact CE1-CE1 3.41Å; H129-Y178 VanDerWaalsContact CE1-CE1 3.41Å; H129-Y178 WeakPolarHBondContact CE1-CE1 3.26Å; H129-Y178 AromaticContact CE1-CZ 3.76Å; H129-Y178 AromaticContact CG-CE1 3.9Å; H129-Y178 AromaticContact ND1-CE1 3.81Å; H129-Y178 AromaticContact ND1-CZ 3.96Å; H129-Y178 AromaticContact NE2-CD1 3.94Å; H129-Y178 AromaticContact NE2-CE1 3.22Å; H129-Y178 WeakPolarHBondContact NE2-CE1 3.08Å | ||
| 130 | E | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -69.9 | -33.6 | 178.9 | -168.1 | 70.7 | 178.6 | 0 | 0 | 112.1 | N29 E132 R133 Y170 D171 M176 H177 K215 | N29-E130 PolarHBondContact ND2-OE2 2.81Å; E130-E132 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.31Å; E130-R133 WeakPolarHBondContact O-CG 3.41Å; E130-R133 PolarHBondContact O-N 2.92Å; E130-R133 WeakPolarHBondContact OE1-CD 3.47Å; E130-R133 IonicContact OE1-CZ 3.38Å; E130-R133 IonicContact OE1-NE 3.92Å; E130-R133 IonicContact OE1-NH1 2.71Å; E130-R133 PolarHBondContact OE1-NH1 2.71Å; E130-Y170 HydrophobicContact CG-CE1 4.23Å; E130-Y170 HydrophobicContact CG-CE2 4.15Å; E130-Y170 VanDerWaalsContact O-CE2 3.3Å; E130-Y170 WeakPolarHBondContact O-CE2 3.13Å; E130-D171 PolarHBondContact OE1-N 3.06Å; E130-M176 PolarHBondContact N-O 2.98Å; E130-H177 HydrophobicContact CB-CB 4.01Å; E130-K215 IonicContact OE1-NZ 3.65Å; E130-K215 PolarHBondContact OE1-NZ 2.62Å; E130-K215 IonicContact OE2-NZ 2.61Å; E130-K215 PolarHBondContact OE2-NZ 2.52Å |
| 131 | H | 93.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -73.6 | -4.4 | 174 | 76.2 | -74.1 | 0 | 0 | 0 | 112.6 | H129 R133 R136 I140 Q154 Y170 Y178 I191 | H129-H131 WeakPolarHBondContact CB-CE1 3.12Å; H129-H131 VanDerWaalsContact CB-ND1 3.3Å; H129-H131 WeakPolarHBondContact CB-ND1 3.16Å; H129-H131 AromaticContact CG-CE1 3.66Å; H129-H131 AromaticContact ND1-CE1 3.94Å; H131-R133 VanDerWaalsContact C-N 3.33Å; H131-R136 WeakPolarHBondContact O-CD 3.39Å; H131-R136 PolarHBondContact O-NH1 2.8Å; H131-I140 HydrophobicContact CB-CD1 3.75Å; H131-Q154 PolarHBondContact NE2-O 2.96Å; H131-Y170 WeakPolarHBondContact CA-OH 3.26Å; H131-Y178 AromaticContact CD2-CD2 3.99Å; H131-Y178 AromaticContact CE1-CD1 3.76Å; H131-Y178 AromaticContact CE1-CD2 3.09Å; H131-Y178 WeakPolarHBondContact CE1-CD2 3.47Å; H131-Y178 AromaticContact CE1-CE1 3.86Å; H131-Y178 AromaticContact CE1-CE2 3.15Å; H131-Y178 WeakPolarHBondContact CE1-CE2 2.91Å; H131-Y178 AromaticContact CE1-CG 3.4Å; H131-Y178 AromaticContact CE1-CZ 3.56Å; H131-Y178 AromaticContact ND1-CD2 3.63Å; H131-Y178 AromaticContact ND1-CG 3.57Å; H131-Y178 AromaticContact NE2-CD2 3.34Å; H131-Y178 VanDerWaalsContact NE2-CD2 3.34Å; H131-Y178 WeakPolarHBondContact NE2-CD2 3.32Å; H131-Y178 AromaticContact NE2-CE2 3.31Å; H131-Y178 VanDerWaalsContact NE2-CE2 3.31Å; H131-Y178 WeakPolarHBondContact NE2-CE2 3.28Å; H131-I191 HydrophobicContact CB-CD1 4.2Å |
| 132 | E | 89.3 | Confident | 92.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -89.9 | -3 | 174 | -67.5 | -167.9 | 110.1 | 0 | 0 | 112.6 | Y7 Q8 R19 A27 H129 E130 G156 K157 A158 | Y7-E132 PolarHBondContact OH-OE1 3.25Å; Q8-E132 WeakPolarHBondContact CG-OE1 3.35Å; Q8-E132 PolarHBondContact NE2-OE1 3.08Å; Q8-E132 PolarHBondContact OE1-OE1 3.16Å; R19-E132 IonicContact CZ-OE1 3.16Å; R19-E132 IonicContact CZ-OE2 2.67Å; R19-E132 VanDerWaalsContact NH1-CD 3.34Å; R19-E132 IonicContact NH1-OE1 3.75Å; R19-E132 PolarHBondContact NH1-OE1 3.37Å; R19-E132 IonicContact NH1-OE2 4Å; R19-E132 PolarHBondContact NH1-OE2 2.76Å; R19-E132 IonicContact NH2-OE1 3.6Å; R19-E132 PolarHBondContact NH2-OE1 3.12Å; R19-E132 IonicContact NH2-OE2 2.64Å; A27-E132 WeakPolarHBondContact CB-O 3.26Å; H129-E132 HydrophobicContact CB-CG 4.02Å; H129-E132 WeakPolarHBondContact O-CB 3.31Å; H129-E132 PolarHBondContact O-N 2.73Å; H129-E132 VanDerWaalsContact O-N 3.17Å; E130-E132 PolarHBondContact O-N 3.48Å; E132-G156 VanDerWaalsContact CG-O 3.31Å; E132-G156 WeakPolarHBondContact CG-O 3.37Å; E132-K157 CarbonylContact O-C 3.49Å; E132-K157 VanDerWaalsContact O-CA 3.29Å; E132-K157 WeakPolarHBondContact O-CA 2.97Å; E132-A158 HydrophobicContact CB-CB 4.32Å; E132-A158 PolarHBondContact O-N 3.21Å |
| 133 | R | 87.7 | Confident | 92.5 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -56.6 | 154.4 | 175.5 | -66.6 | -176.8 | 56.1 | 128.4 | -0.4 | 112.1 | A27 N29 E130 H131 D135 R136 F165 E168 R169 Y170 | A27-R133 CarbonylContact O-C 3.59Å; N29-R133 HydrophobicContact CB-CG 3.9Å; E130-R133 WeakPolarHBondContact O-CB 3.31Å; E130-R133 WeakPolarHBondContact O-CG 3.41Å; E130-R133 PolarHBondContact O-N 2.92Å; E130-R133 WeakPolarHBondContact OE1-CD 3.47Å; E130-R133 IonicContact OE1-CZ 3.38Å; E130-R133 IonicContact OE1-NE 3.92Å; E130-R133 IonicContact OE1-NH1 2.71Å; E130-R133 PolarHBondContact OE1-NH1 2.71Å; H131-R133 VanDerWaalsContact C-N 3.33Å; R133-D135 VanDerWaalsContact CB-OD1 3.26Å; R133-D135 WeakPolarHBondContact CB-OD1 3.42Å; R133-D135 IonicContact CZ-OD1 3.29Å; R133-D135 IonicContact CZ-OD2 3.4Å; R133-D135 IonicContact NE-OD1 3.82Å; R133-D135 PolarHBondContact NE-OD1 2.69Å; R133-D135 IonicContact NE-OD2 3.41Å; R133-D135 IonicContact NH2-OD1 3.34Å; R133-D135 IonicContact NH2-OD2 2.77Å; R133-D135 PolarHBondContact NH2-OD2 3.4Å; R133-R136 HydrophobicContact CB-CB 4.3Å; R133-R136 VanDerWaalsContact O-CB 3.25Å; R133-R136 WeakPolarHBondContact O-CB 3.45Å; R133-R136 WeakPolarHBondContact O-CD 3.36Å; R133-R136 VanDerWaalsContact O-CG 3.3Å; R133-R136 WeakPolarHBondContact O-CG 3.33Å; R133-R136 PolarHBondContact O-N 2.94Å; R133-F165 HydrophobicContact CB-CE1 3.58Å; R133-F165 HydrophobicContact CB-CZ 3.74Å; R133-F165 HydrophobicContact CG-CD1 4.1Å; R133-F165 HydrophobicContact CG-CE1 3.36Å; R133-F165 HydrophobicContact CG-CZ 4Å; R133-F165 VanDerWaalsContact CZ-CE1 3.49Å; R133-F165 VanDerWaalsContact CZ-CG 3.49Å; R133-F165 VanDerWaalsContact NH2-CE2 3.27Å; R133-F165 VanDerWaalsContact NH2-CG 3.33Å; R133-E168 PolarHBondContact NH1-O 3.19Å; R133-E168 PolarHBondContact NH2-O 3.03Å; R133-E168 VanDerWaalsContact NH2-O 3.14Å; R133-R169 PolarHBondContact NH1-O 2.76Å; R133-Y170 HydrophobicContact CB-CD2 4.38Å; R133-Y170 HydrophobicContact CB-CE2 4.26Å; R133-Y170 HydrophobicContact CG-CD2 4.45Å; R133-Y170 HydrophobicContact CG-CE2 4.42Å | ||
| 134 | W | 80.4 | Confident | 92.3 | Very high | 50 Ų | 50 | 27.4 Ų | 27.4 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -77.5 | -38.2 | -175.1 | 71.7 | -98.8 | 0 | 0 | 0 | 113.7 | V26 A27 R136 K157 F165 Y304 | V26-W134 HydrophobicContact CB-CB 4.25Å; V26-W134 HydrophobicContact CG1-CB 3.29Å; V26-W134 HydrophobicContact CG1-CD2 3.48Å; V26-W134 VanDerWaalsContact CG1-CD2 3.48Å; V26-W134 HydrophobicContact CG1-CE3 3.83Å; V26-W134 HydrophobicContact CG1-CG 3.23Å; A27-W134 HydrophobicContact CB-CB 3.78Å; A27-W134 WeakPolarHBondContact O-CA 3.35Å; A27-W134 WeakPolarHBondContact O-CB 2.98Å; A27-W134 PolarHBondContact O-N 3.06Å; W134-R136 PolarHBondContact O-N 2.86Å; W134-K157 PolarHBondContact O-NZ 3.46Å; W134-F165 AromaticContact CD1-CE2 3.21Å; W134-F165 AromaticContact CD1-CZ 3.1Å; W134-F165 AromaticContact CE2-CE2 3.9Å; W134-F165 HydrophobicContact CG-CE2 4.17Å; W134-F165 AromaticContact CG-CZ 3.91Å; W134-F165 HydrophobicContact CG-CZ 3.91Å; W134-F165 AromaticContact NE1-CD2 3.92Å; W134-F165 AromaticContact NE1-CE2 2.98Å; W134-F165 AromaticContact NE1-CZ 3.46Å; W134-Y304 HydrophobicContact CH2-CE1 4.02Å; W134-Y304 WeakPolarHBondContact CH2-OH 3.3Å; W134-Y304 HydrophobicContact CZ3-CE1 4.26Å |
| 135 | D | 85.1 | Confident | 92.1 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.08 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -79.4 | -1.1 | 176.3 | 59.5 | -10.7 | 0 | 0 | 0 | 111.1 | R133 D137 E138 Y139 F165 | R133-D135 VanDerWaalsContact CB-OD1 3.26Å; R133-D135 WeakPolarHBondContact CB-OD1 3.42Å; R133-D135 IonicContact CZ-OD1 3.29Å; R133-D135 IonicContact CZ-OD2 3.4Å; R133-D135 IonicContact NE-OD1 3.82Å; R133-D135 PolarHBondContact NE-OD1 2.69Å; R133-D135 IonicContact NE-OD2 3.41Å; R133-D135 IonicContact NH2-OD1 3.34Å; R133-D135 IonicContact NH2-OD2 2.77Å; R133-D135 PolarHBondContact NH2-OD2 3.4Å; D135-D137 PolarHBondContact O-N 2.77Å; D135-E138 VanDerWaalsContact O-CB 3.32Å; D135-E138 WeakPolarHBondContact O-CB 3.32Å; D135-E138 PolarHBondContact O-N 3.04Å; D135-Y139 HydrophobicContact CB-CE2 4.21Å; D135-Y139 WeakPolarHBondContact O-CD2 3.42Å; D135-F165 HydrophobicContact CB-CE2 4.47Å; D135-F165 WeakPolarHBondContact OD1-CE2 3.48Å; D135-F165 WeakPolarHBondContact OD1-CZ 3.32Å; D135-F165 VanDerWaalsContact OD2-CE2 3.31Å; D135-F165 WeakPolarHBondContact OD2-CE2 3.31Å |
| 136 | R | 90.7 | Very high | 92.1 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 4% | 0.038 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -51.8 | -33.8 | -177.1 | 81 | -175.1 | -179.5 | -158 | 3.3 | 113.2 | H131 R133 W134 E138 Y139 I140 F155 K157 Y170 | H131-R136 WeakPolarHBondContact O-CD 3.39Å; H131-R136 PolarHBondContact O-NH1 2.8Å; R133-R136 HydrophobicContact CB-CB 4.3Å; R133-R136 VanDerWaalsContact O-CB 3.25Å; R133-R136 WeakPolarHBondContact O-CB 3.45Å; R133-R136 WeakPolarHBondContact O-CD 3.36Å; R133-R136 VanDerWaalsContact O-CG 3.3Å; R133-R136 WeakPolarHBondContact O-CG 3.33Å; R133-R136 PolarHBondContact O-N 2.94Å; W134-R136 PolarHBondContact O-N 2.86Å; R136-E138 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact O-N 3.14Å; R136-Y139 CarbonylContact O-C 3.11Å; R136-Y139 WeakPolarHBondContact O-CA 3.36Å; R136-Y139 PolarHBondContact O-N 2.9Å; R136-I140 HydrophobicContact CB-CD1 4.12Å; R136-I140 HydrophobicContact CB-CG1 3.92Å; R136-I140 HydrophobicContact CG-CD1 4.27Å; R136-I140 HydrophobicContact CG-CG1 4.1Å; R136-I140 VanDerWaalsContact O-CG1 3.26Å; R136-I140 WeakPolarHBondContact O-CG1 3.22Å; R136-I140 PolarHBondContact O-N 2.77Å; R136-F155 PolarHBondContact NH1-O 3.44Å; R136-F155 PolarHBondContact NH2-O 2.98Å; R136-K157 VanDerWaalsContact NE-CE 3.32Å; R136-Y170 HydrophobicContact CB-CD2 4.5Å; R136-Y170 HydrophobicContact CB-CE2 3.74Å |
| 137 | D | 90.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 33.2 Ų | 33.2 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -72.4 | -7.8 | -174 | -60.2 | -11.6 | 0 | 0 | 0 | 111.1 | D135 Y139 I140 K157 | D135-D137 PolarHBondContact O-N 2.77Å; D137-Y139 VanDerWaalsContact C-N 3.34Å; D137-I140 WeakPolarHBondContact CA-O 3.42Å; D137-K157 WeakPolarHBondContact OD1-CE 3.17Å; D137-K157 IonicContact OD1-NZ 3.32Å; D137-K157 WeakPolarHBondContact OD2-CE 3.33Å; D137-K157 IonicContact OD2-NZ 2.77Å; D137-K157 PolarHBondContact OD2-NZ 2.67Å |
| 138 | E | 93 | Very high | 91.3 | Very high | 122 Ų | 122 | 34.3 Ų | 34.3 | 57% | 0.57 | 16% | 0.162 | S | C | * | . | G | 310 helix | trans | -81.1 | -14.7 | 166.7 | -57.8 | 179.1 | -156.4 | 0 | 0 | 112.5 | D135 R136 | D135-E138 VanDerWaalsContact O-CB 3.32Å; D135-E138 WeakPolarHBondContact O-CB 3.32Å; D135-E138 PolarHBondContact O-N 3.04Å; R136-E138 PolarHBondContact O-N 3.47Å; R136-E138 VanDerWaalsContact O-N 3.14Å |
| 139 | Y | 95.9 | Very high | 90.9 | Very high | 62 Ų | 62 | 42 Ų | 42 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -29.3 | -171.1 | -59.4 | -79.1 | 0 | 0 | 0 | 113.2 | D135 R136 D137 Y170 Y172 V194 | D135-Y139 HydrophobicContact CB-CE2 4.21Å; D135-Y139 WeakPolarHBondContact O-CD2 3.42Å; R136-Y139 CarbonylContact O-C 3.11Å; R136-Y139 WeakPolarHBondContact O-CA 3.36Å; R136-Y139 PolarHBondContact O-N 2.9Å; D137-Y139 VanDerWaalsContact C-N 3.34Å; Y139-Y170 HydrophobicContact CD1-CD1 4.33Å; Y139-Y170 HydrophobicContact CD1-CG 4.04Å; Y139-Y170 VanDerWaalsContact CD2-CB 3.41Å; Y139-Y170 HydrophobicContact CD2-CD1 4.41Å; Y139-Y170 AromaticContact CD2-CD2 3.58Å; Y139-Y170 HydrophobicContact CD2-CD2 3.58Å; Y139-Y170 HydrophobicContact CD2-CE2 4.48Å; Y139-Y170 AromaticContact CD2-CG 3.55Å; Y139-Y170 HydrophobicContact CD2-CG 3.55Å; Y139-Y170 HydrophobicContact CE2-CD2 4.28Å; Y139-Y170 HydrophobicContact CE2-CG 4.16Å; Y139-Y170 VanDerWaalsContact CG-CB 3.45Å; Y139-Y170 AromaticContact CG-CD1 3.9Å; Y139-Y170 HydrophobicContact CG-CD1 3.9Å; Y139-Y170 AromaticContact CG-CD2 3.91Å; Y139-Y170 HydrophobicContact CG-CD2 3.91Å; Y139-Y170 AromaticContact CG-CG 3.47Å; Y139-Y170 HydrophobicContact CG-CG 3.47Å; Y139-Y170 VanDerWaalsContact CG-CG 3.47Å; Y139-Y172 WeakPolarHBondContact CA-OH 2.96Å; Y139-Y172 WeakPolarHBondContact CB-OH 3.25Å; Y139-Y172 WeakPolarHBondContact O-CE1 3.45Å; Y139-Y172 PolarHBondContact O-OH 3Å; Y139-V194 WeakPolarHBondContact O-CB 3.33Å; Y139-V194 WeakPolarHBondContact O-CG2 3.43Å; Y139-V194 PolarHBondContact O-N 2.85Å |
| 140 | I | 96.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.8 | -178.5 | 60.6 | 166.1 | 0 | 0 | 0 | 111.3 | H131 R136 D137 I142 Y170 Y172 I191 E192 | H131-I140 HydrophobicContact CB-CD1 3.75Å; R136-I140 HydrophobicContact CB-CD1 4.12Å; R136-I140 HydrophobicContact CB-CG1 3.92Å; R136-I140 HydrophobicContact CG-CD1 4.27Å; R136-I140 HydrophobicContact CG-CG1 4.1Å; R136-I140 VanDerWaalsContact O-CG1 3.26Å; R136-I140 WeakPolarHBondContact O-CG1 3.22Å; R136-I140 PolarHBondContact O-N 2.77Å; D137-I140 WeakPolarHBondContact CA-O 3.42Å; I140-I142 HydrophobicContact CD1-CD1 3.72Å; I140-I142 HydrophobicContact CG1-CD1 4.41Å; I140-Y170 WeakPolarHBondContact CD1-OH 3.42Å; I140-Y170 HydrophobicContact CG2-CE1 4.23Å; I140-Y172 HydrophobicContact CG2-CE1 3.95Å; I140-I191 HydrophobicContact CB-CG2 3.82Å; I140-I191 HydrophobicContact CD1-CG2 3.81Å; I140-I191 HydrophobicContact CG1-CG2 4.39Å; I140-I191 HydrophobicContact CG2-CG2 3.94Å; I140-E192 CarbonylContact C-O 3.2Å; I140-E192 VanDerWaalsContact CA-O 3.22Å; I140-E192 WeakPolarHBondContact CA-O 3.31Å |
| 141 | N | 96.5 | Very high | 89.6 | Confident | 79 Ų | 79 | 49 Ų | 49 | 42% | 0.422 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.8 | 167.8 | -62.8 | -54.8 | 0 | 0 | 0 | 109 | I191 E192 | N141-I191 WeakPolarHBondContact O-CA 3.31Å; N141-E192 HydrophobicContact CB-CB 4.48Å; N141-E192 PolarHBondContact N-O 2.91Å; N141-E192 PolarHBondContact O-N 2.81Å |
| 142 | I | 94.2 | Very high | 88.9 | Confident | 18 Ų | 18 | 53.4 Ų | 53.4 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 115.5 | 170.6 | -56.1 | -53.1 | 0 | 0 | 0 | 108.4 | I140 W144 I147 F155 I191 | I140-I142 HydrophobicContact CD1-CD1 3.72Å; I140-I142 HydrophobicContact CG1-CD1 4.41Å; I142-W144 HydrophobicContact CB-CZ2 4.27Å; I142-W144 HydrophobicContact CG2-CD2 3.8Å; I142-W144 HydrophobicContact CG2-CE3 4.24Å; I142-W144 HydrophobicContact CG2-CG 4.21Å; I142-W144 HydrophobicContact CG2-CH2 4.28Å; I142-W144 HydrophobicContact CG2-CZ2 3.85Å; I142-W144 HydrophobicContact CG2-CZ3 4.46Å; I142-W144 PolarHBondContact O-N 2.8Å; I142-W144 VanDerWaalsContact O-N 3.16Å; I142-I147 HydrophobicContact CG2-CD1 3.45Å; I142-I147 VanDerWaalsContact CG2-CD1 3.45Å; I142-F155 HydrophobicContact CD1-CD1 3.92Å; I142-F155 HydrophobicContact CG2-CB 4.29Å; I142-F155 HydrophobicContact CG2-CD1 4Å; I142-F155 HydrophobicContact CG2-CG 4.25Å; I142-I191 HydrophobicContact CD1-CG1 4.01Å; I142-I191 HydrophobicContact CD1-CG2 4.45Å |
| 143 | L | 95 | Very high | 88.1 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | trans | -87.4 | 75.3 | 179.7 | -57.7 | -177.1 | 0 | 0 | 0 | 110.2 | E145 N146 R189 T190 E192 | L143-E145 PolarHBondContact O-N 3.39Å; L143-E145 VanDerWaalsContact O-N 3.08Å; L143-N146 HydrophobicContact CB-CB 4.46Å; L143-N146 PolarHBondContact O-N 2.86Å; L143-R189 HydrophobicContact CD1-CB 4.35Å; L143-R189 WeakPolarHBondContact CD1-O 3.45Å; L143-T190 PolarHBondContact N-O 2.83Å; L143-E192 HydrophobicContact CD1-CG 3.73Å; L143-E192 HydrophobicContact CG-CG 4.31Å | ||
| 144 | W | 91.6 | Very high | 87.8 | Confident | 107 Ų | 107 | 57.3 Ų | 57.3 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -53.1 | -30.4 | -174 | -64 | 97.7 | 0 | 0 | 0 | 114.5 | I142 N146 I147 Y152 F155 | I142-W144 HydrophobicContact CB-CZ2 4.27Å; I142-W144 HydrophobicContact CG2-CD2 3.8Å; I142-W144 HydrophobicContact CG2-CE3 4.24Å; I142-W144 HydrophobicContact CG2-CG 4.21Å; I142-W144 HydrophobicContact CG2-CH2 4.28Å; I142-W144 HydrophobicContact CG2-CZ2 3.85Å; I142-W144 HydrophobicContact CG2-CZ3 4.46Å; I142-W144 PolarHBondContact O-N 2.8Å; I142-W144 VanDerWaalsContact O-N 3.16Å; W144-N146 PolarHBondContact O-N 3.39Å; W144-I147 HydrophobicContact CD2-CD1 4.42Å; W144-I147 HydrophobicContact CE3-CD1 4.03Å; W144-I147 PolarHBondContact O-N 3.46Å; W144-Y152 HydrophobicContact CE3-CD1 4.22Å; W144-Y152 HydrophobicContact CE3-CE1 4.44Å; W144-Y152 HydrophobicContact CE3-CG 4.28Å; W144-Y152 HydrophobicContact CZ3-CG 4.32Å; W144-Y152 PolarHBondContact O-OH 2.91Å; W144-F155 HydrophobicContact CH2-CB 3.93Å; W144-F155 HydrophobicContact CZ3-CB 4.11Å |
| 145 | E | 92.8 | Very high | 88 | Confident | 107 Ų | 107 | 54.9 Ų | 54.9 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -68 | -20.2 | 177 | 68.9 | -84.6 | -161 | 0 | 0 | 113.7 | L143 R185 | L143-E145 PolarHBondContact O-N 3.39Å; L143-E145 VanDerWaalsContact O-N 3.08Å; E145-R185 PolarHBondContact O-NE 3.07Å; E145-R185 PolarHBondContact O-NH2 2.81Å |
| 146 | N | 95.5 | Very high | 87.6 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -97.6 | -9.1 | 178.3 | -64.7 | -32.4 | 0 | 0 | 0 | 112.8 | L143 W144 T184 R185 N186 R189 T190 | L143-N146 HydrophobicContact CB-CB 4.46Å; L143-N146 PolarHBondContact O-N 2.86Å; W144-N146 PolarHBondContact O-N 3.39Å; N146-T184 CarbonylContact O-C 3.58Å; N146-T184 WeakPolarHBondContact O-CA 3.15Å; N146-R185 WeakPolarHBondContact O-CG 3.32Å; N146-R185 PolarHBondContact O-N 2.95Å; N146-N186 PolarHBondContact OD1-ND2 2.95Å; N146-R189 VanDerWaalsContact CB-O 3.25Å; N146-R189 WeakPolarHBondContact CB-O 3.48Å; N146-R189 PolarHBondContact ND2-O 3.14Å; N146-T190 HydrophobicContact CB-CG2 4.17Å |
| 147 | I | 85.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -86.6 | 140.7 | -177.8 | -56.5 | 166.5 | 0 | 0 | 0 | 110.2 | I142 W144 A151 Y152 F155 F183 T190 | I142-I147 HydrophobicContact CG2-CD1 3.45Å; I142-I147 VanDerWaalsContact CG2-CD1 3.45Å; W144-I147 HydrophobicContact CD2-CD1 4.42Å; W144-I147 HydrophobicContact CE3-CD1 4.03Å; W144-I147 PolarHBondContact O-N 3.46Å; I147-A151 HydrophobicContact CG2-CB 4.15Å; I147-Y152 HydrophobicContact CB-CD1 4.1Å; I147-Y152 HydrophobicContact CB-CE1 3.89Å; I147-Y152 HydrophobicContact CG2-CD1 3.79Å; I147-Y152 HydrophobicContact CG2-CE1 4.08Å; I147-F155 HydrophobicContact CB-CE2 4.42Å; I147-F155 HydrophobicContact CD1-CD1 4.14Å; I147-F155 HydrophobicContact CD1-CD2 3.71Å; I147-F155 HydrophobicContact CD1-CE1 4.17Å; I147-F155 HydrophobicContact CD1-CE2 3.78Å; I147-F155 HydrophobicContact CD1-CG 3.91Å; I147-F155 HydrophobicContact CD1-CZ 4Å; I147-F155 HydrophobicContact CG1-CD2 4.37Å; I147-F155 HydrophobicContact CG1-CE2 3.97Å; I147-F155 HydrophobicContact CG1-CZ 4.13Å; I147-F155 HydrophobicContact CG2-CD2 3.87Å; I147-F155 HydrophobicContact CG2-CE2 3.51Å; I147-F155 HydrophobicContact CG2-CZ 4.39Å; I147-F183 HydrophobicContact CG2-CB 4.42Å; I147-T190 HydrophobicContact CB-CG2 4.4Å; I147-T190 HydrophobicContact CG1-CG2 3.57Å |
| 148 | A | 84 | Confident | 86 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | trans | -60.7 | 135.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | D150 A151 Y152 F183 R185 | A148-D150 VanDerWaalsContact C-N 3.26Å; A148-D150 VanDerWaalsContact CB-OD1 3.27Å; A148-D150 WeakPolarHBondContact CB-OD1 3.35Å; A148-D150 PolarHBondContact O-N 3.38Å; A148-A151 HydrophobicContact CB-CB 4.17Å; A148-A151 WeakPolarHBondContact O-CA 3.05Å; A148-A151 WeakPolarHBondContact O-CB 3.11Å; A148-A151 PolarHBondContact O-N 2.69Å; A148-Y152 WeakPolarHBondContact O-CD1 3.36Å; A148-F183 PolarHBondContact N-O 2.69Å; A148-R185 HydrophobicContact CB-CB 4.25Å | ||
| 149 | K | 81.6 | Confident | 84.5 | Confident | 166 Ų | 166 | 49.1 Ų | 49.1 | 72% | 0.722 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -62.6 | -34.4 | -169.8 | -73.3 | -174.2 | 176.1 | -177.5 | 0 | 113.3 | A151 | K149-A151 PolarHBondContact O-N 3.17Š|
| 150 | D | 80.7 | Confident | 82.6 | Confident | 142 Ų | 142 | 46.8 Ų | 46.8 | 76% | 0.759 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -72.1 | -11 | 174.4 | 56.5 | -31.6 | 0 | 0 | 0 | 113.3 | A148 | A148-D150 VanDerWaalsContact C-N 3.26Å; A148-D150 VanDerWaalsContact CB-OD1 3.27Å; A148-D150 WeakPolarHBondContact CB-OD1 3.35Å; A148-D150 PolarHBondContact O-N 3.38Å |
| 151 | A | 80.2 | Confident | 80.6 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -105.6 | 10.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I147 A148 K149 D153 Q154 F155 F183 | I147-A151 HydrophobicContact CG2-CB 4.15Å; A148-A151 HydrophobicContact CB-CB 4.17Å; A148-A151 WeakPolarHBondContact O-CA 3.05Å; A148-A151 WeakPolarHBondContact O-CB 3.11Å; A148-A151 PolarHBondContact O-N 2.69Å; K149-A151 PolarHBondContact O-N 3.17Å; A151-D153 VanDerWaalsContact C-N 3.26Å; A151-D153 PolarHBondContact O-N 2.83Å; A151-Q154 HydrophobicContact CB-CB 4.49Å; A151-Q154 HydrophobicContact CB-CG 3.85Å; A151-Q154 WeakPolarHBondContact O-CB 3.24Å; A151-Q154 VanDerWaalsContact O-CG 3.25Å; A151-Q154 WeakPolarHBondContact O-CG 3.17Å; A151-Q154 PolarHBondContact O-N 2.87Å; A151-F155 WeakPolarHBondContact O-CD2 3.48Å; A151-F183 HydrophobicContact CB-CB 3.71Å; A151-F183 HydrophobicContact CB-CD1 3.72Å; A151-F183 HydrophobicContact CB-CG 3.91Å |
| 152 | Y | 79.4 | Confident | 78.6 | Confident | 92 Ų | 92 | 47.9 Ų | 47.9 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -63.8 | -32.4 | -179.1 | -79.1 | 6.3 | 0 | 0 | 0 | 113.2 | W144 I147 A148 Q154 F155 | W144-Y152 HydrophobicContact CE3-CD1 4.22Å; W144-Y152 HydrophobicContact CE3-CE1 4.44Å; W144-Y152 HydrophobicContact CE3-CG 4.28Å; W144-Y152 HydrophobicContact CZ3-CG 4.32Å; W144-Y152 PolarHBondContact O-OH 2.91Å; I147-Y152 HydrophobicContact CB-CD1 4.1Å; I147-Y152 HydrophobicContact CB-CE1 3.89Å; I147-Y152 HydrophobicContact CG2-CD1 3.79Å; I147-Y152 HydrophobicContact CG2-CE1 4.08Å; A148-Y152 WeakPolarHBondContact O-CD1 3.36Å; Y152-Q154 PolarHBondContact O-N 3.01Å; Y152-F155 PolarHBondContact O-N 3.17Å |
| 153 | D | 73.4 | Confident | 76.9 | Confident | 69 Ų | 69 | 47 Ų | 47 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -65.6 | -26.4 | 175.8 | 70.7 | -36.1 | 0 | 0 | 0 | 111.7 | Q8 A151 F155 G156 | Q8-D153 PolarHBondContact NE2-O 2.77Å; A151-D153 VanDerWaalsContact C-N 3.26Å; A151-D153 PolarHBondContact O-N 2.83Å; D153-F155 PolarHBondContact O-N 3.03Å; D153-F155 VanDerWaalsContact O-N 3.11Å; D153-G156 PolarHBondContact O-N 3.34Å |
| 154 | Q | 79.9 | Confident | 75.6 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -68 | -0.3 | 175.6 | -40.5 | -65.6 | -66.3 | 0 | 0 | 114.5 | Q8 H131 A151 Y152 F183 | Q8-Q154 VanDerWaalsContact CD-CA 3.49Å; Q8-Q154 VanDerWaalsContact NE2-CA 3.34Å; Q8-Q154 VanDerWaalsContact OE1-CA 3.24Å; Q8-Q154 PolarHBondContact OE1-O 3.4Å; H131-Q154 PolarHBondContact NE2-O 2.96Å; A151-Q154 HydrophobicContact CB-CB 4.49Å; A151-Q154 HydrophobicContact CB-CG 3.85Å; A151-Q154 WeakPolarHBondContact O-CB 3.24Å; A151-Q154 VanDerWaalsContact O-CG 3.25Å; A151-Q154 WeakPolarHBondContact O-CG 3.17Å; A151-Q154 PolarHBondContact O-N 2.87Å; Y152-Q154 PolarHBondContact O-N 3.01Å; Q154-F183 HydrophobicContact CB-CD2 4.04Å; Q154-F183 HydrophobicContact CB-CE1 4.36Å; Q154-F183 HydrophobicContact CB-CE2 3.89Å; Q154-F183 HydrophobicContact CB-CG 4.37Å; Q154-F183 HydrophobicContact CB-CZ 4.04Å; Q154-F183 HydrophobicContact CG-CD1 4.18Å; Q154-F183 HydrophobicContact CG-CE1 3.92Å; Q154-F183 HydrophobicContact CG-CE2 4.35Å; Q154-F183 HydrophobicContact CG-CG 4.49Å; Q154-F183 HydrophobicContact CG-CZ 4.02Å |
| 155 | F | 84.2 | Confident | 74.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -122.8 | 17.1 | 171.9 | -64.5 | -96.2 | 0 | 0 | 0 | 111 | R136 I142 W144 I147 A151 Y152 D153 A182 F183 I191 | R136-F155 PolarHBondContact NH1-O 3.44Å; R136-F155 PolarHBondContact NH2-O 2.98Å; I142-F155 HydrophobicContact CD1-CD1 3.92Å; I142-F155 HydrophobicContact CG2-CB 4.29Å; I142-F155 HydrophobicContact CG2-CD1 4Å; I142-F155 HydrophobicContact CG2-CG 4.25Å; W144-F155 HydrophobicContact CH2-CB 3.93Å; W144-F155 HydrophobicContact CZ3-CB 4.11Å; I147-F155 HydrophobicContact CB-CE2 4.42Å; I147-F155 HydrophobicContact CD1-CD1 4.14Å; I147-F155 HydrophobicContact CD1-CD2 3.71Å; I147-F155 HydrophobicContact CD1-CE1 4.17Å; I147-F155 HydrophobicContact CD1-CE2 3.78Å; I147-F155 HydrophobicContact CD1-CG 3.91Å; I147-F155 HydrophobicContact CD1-CZ 4Å; I147-F155 HydrophobicContact CG1-CD2 4.37Å; I147-F155 HydrophobicContact CG1-CE2 3.97Å; I147-F155 HydrophobicContact CG1-CZ 4.13Å; I147-F155 HydrophobicContact CG2-CD2 3.87Å; I147-F155 HydrophobicContact CG2-CE2 3.51Å; I147-F155 HydrophobicContact CG2-CZ 4.39Å; A151-F155 WeakPolarHBondContact O-CD2 3.48Å; Y152-F155 PolarHBondContact O-N 3.17Å; D153-F155 PolarHBondContact O-N 3.03Å; D153-F155 VanDerWaalsContact O-N 3.11Å; F155-A182 HydrophobicContact CZ-CB 4.5Å; F155-A182 WeakPolarHBondContact CZ-O 3.34Å; F155-F183 HydrophobicContact CE2-CB 3.92Å; F155-F183 AromaticContact CE2-CD2 3.92Å; F155-F183 HydrophobicContact CE2-CD2 3.92Å; F155-F183 HydrophobicContact CE2-CG 4.25Å; F155-F183 HydrophobicContact CZ-CB 4.3Å; F155-F183 HydrophobicContact CZ-CD2 4.1Å; F155-I191 HydrophobicContact CD1-CG1 4.46Å; F155-I191 HydrophobicContact CE1-CD1 3.93Å; F155-I191 HydrophobicContact CE1-CG1 3.77Å |
| 156 | G | 78.4 | Confident | 73.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 24% | 0.237 | 20% | 0.202 | C | C | . | . | trans | -64.1 | 140.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R19 E132 D153 | R19-G156 PolarHBondContact NH2-O 2.9Å; E132-G156 VanDerWaalsContact CG-O 3.31Å; E132-G156 WeakPolarHBondContact CG-O 3.37Å; D153-G156 PolarHBondContact O-N 3.34Å | ||
| 157 | K | 80.5 | Confident | 73.1 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | trans | -72.9 | 143.8 | 171.6 | -66.4 | -178.9 | 172.1 | -170.1 | 0 | 109.4 | R19 A27 E132 W134 R136 D137 | R19-K157 PolarHBondContact NH2-O 2.67Å; A27-K157 HydrophobicContact CB-CB 3.63Å; E132-K157 CarbonylContact O-C 3.49Å; E132-K157 VanDerWaalsContact O-CA 3.29Å; E132-K157 WeakPolarHBondContact O-CA 2.97Å; W134-K157 PolarHBondContact O-NZ 3.46Å; R136-K157 VanDerWaalsContact NE-CE 3.32Å; D137-K157 WeakPolarHBondContact OD1-CE 3.17Å; D137-K157 IonicContact OD1-NZ 3.32Å; D137-K157 WeakPolarHBondContact OD2-CE 3.33Å; D137-K157 IonicContact OD2-NZ 2.77Å; D137-K157 PolarHBondContact OD2-NZ 2.67Å | ||
| 158 | A | 66.3 | Low | 73.2 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | trans | -60.7 | -178.2 | 171 | 0 | 0 | 0 | 0 | 0 | 115.9 | R19 V26 A27 R28 W128 E132 | R19-A158 VanDerWaalsContact CZ-CA 3.4Å; V26-A158 CarbonylContact C-O 3.47Å; A27-A158 WeakPolarHBondContact CA-O 3.37Å; A27-A158 HydrophobicContact CB-CB 3.63Å; A27-A158 WeakPolarHBondContact CB-O 3.12Å; A27-A158 PolarHBondContact N-O 2.93Å; R28-A158 VanDerWaalsContact O-CB 3.24Å; R28-A158 WeakPolarHBondContact O-CB 3.23Å; W128-A158 HydrophobicContact CG-CB 4.36Å; E132-A158 HydrophobicContact CB-CB 4.32Å; E132-A158 PolarHBondContact O-N 3.21Å | ||
| 159 | N | 62.3 | Low | 73.5 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.267 | C | S | . | . | trans | -115.6 | 128.6 | -175.5 | -166.1 | -30.5 | 0 | 0 | 0 | 112.6 | R24 V26 L161 E162 S163 | R24-N159 PolarHBondContact O-ND2 3.17Å; V26-N159 CarbonylContact O-C 3.6Å; V26-N159 WeakPolarHBondContact O-CA 3.15Å; N159-L161 PolarHBondContact O-N 3.08Å; N159-L161 PolarHBondContact OD1-N 3.12Å; N159-L161 VanDerWaalsContact OD1-N 3.17Å; N159-E162 CarbonylContact O-C 3.36Å; N159-E162 PolarHBondContact O-N 3.18Å; N159-S163 PolarHBondContact O-N 2.98Å; N159-S163 PolarHBondContact O-OG 2.62Å | ||
| 160 | L | 54.9 | Low | 74.1 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.2 | -171.7 | -84 | -160.2 | 0 | 0 | 0 | 111.1 | V26 R28 R32 L301 | V26-L160 VanDerWaalsContact C-CD2 3.45Å; V26-L160 HydrophobicContact CB-CD1 3.67Å; V26-L160 HydrophobicContact CB-CD2 3.97Å; V26-L160 HydrophobicContact CB-CG 3.5Å; V26-L160 HydrophobicContact CG1-CD1 3.71Å; V26-L160 HydrophobicContact CG1-CD2 3.56Å; V26-L160 HydrophobicContact CG1-CG 3.64Å; V26-L160 VanDerWaalsContact O-CA 3.22Å; V26-L160 WeakPolarHBondContact O-CA 3.47Å; V26-L160 VanDerWaalsContact O-CB 3.25Å; V26-L160 WeakPolarHBondContact O-CB 3.31Å; V26-L160 WeakPolarHBondContact O-CD2 3.29Å; V26-L160 WeakPolarHBondContact O-CG 3.48Å; V26-L160 PolarHBondContact O-N 3.03Å; R28-L160 HydrophobicContact CG-CD2 3.56Å; R32-L160 PolarHBondContact NH1-O 3.5Å; L160-L301 HydrophobicContact CD1-CD1 3.5Å; L160-L301 VanDerWaalsContact CD1-CD1 3.5Å; L160-L301 HydrophobicContact CD1-CD2 4.24Å |
| 161 | L | 54.7 | Low | 74.8 | Confident | 86 Ų | 86 | 39.1 Ų | 39.1 | 45% | 0.45 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -25.7 | 177.7 | -63.5 | 177.3 | 0 | 0 | 0 | 110.8 | N159 Y298 | N159-L161 PolarHBondContact O-N 3.08Å; N159-L161 PolarHBondContact OD1-N 3.12Å; N159-L161 VanDerWaalsContact OD1-N 3.17Å; L161-Y298 HydrophobicContact CD2-CE1 4.45Å |
| 162 | E | 55.1 | Low | 75.6 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -6.6 | -170.4 | -55.7 | -171.3 | 156.3 | 0 | 0 | 112.1 | K22 V31 R32 M33 N159 | K22-E162 IonicContact NZ-OE1 3.81Å; K22-E162 PolarHBondContact NZ-OE1 3.03Å; V31-E162 CarbonylContact C-O 3.49Å; V31-E162 VanDerWaalsContact CA-O 3.28Å; V31-E162 WeakPolarHBondContact CA-O 3.41Å; R32-E162 PolarHBondContact N-O 2.86Å; M33-E162 HydrophobicContact CE-CB 4.44Å; M33-E162 HydrophobicContact CE-CG 3.85Å; N159-E162 CarbonylContact O-C 3.36Å; N159-E162 PolarHBondContact O-N 3.18Å |
| 163 | S | 58.5 | Low | 76.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.5 | -172.4 | 56.9 | 0 | 0 | 0 | 0 | 115.6 | R28 G30 N159 | R28-S163 WeakPolarHBondContact CA-OG 3.13Å; R28-S163 WeakPolarHBondContact CB-O 3.46Å; R28-S163 WeakPolarHBondContact CB-OG 3.49Å; R28-S163 VanDerWaalsContact CD-O 3.31Å; R28-S163 WeakPolarHBondContact CD-O 3.26Å; R28-S163 PolarHBondContact N-OG 3.42Å; R28-S163 WeakPolarHBondContact O-CB 3.2Å; R28-S163 PolarHBondContact O-OG 2.97Å; G30-S163 CarbonylContact O-C 3.53Å; G30-S163 VanDerWaalsContact O-C 3.25Å; G30-S163 WeakPolarHBondContact O-CA 3.27Å; G30-S163 WeakPolarHBondContact O-CB 3.27Å; N159-S163 PolarHBondContact O-N 2.98Å; N159-S163 PolarHBondContact O-OG 2.62Å |
| 164 | D | 68.1 | Low | 77.5 | Confident | 44 Ų | 44 | 34.6 Ų | 34.6 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149 | 175.2 | -149.4 | -39.7 | 0 | 0 | 0 | 112.5 | R28 N29 G30 Y166 | R28-D164 VanDerWaalsContact CB-C 3.49Å; R28-D164 VanDerWaalsContact CB-N 3.27Å; R28-D164 IonicContact NH1-OD2 2.65Å; N29-D164 PolarHBondContact N-O 3.45Å; N29-D164 PolarHBondContact OD1-O 3.19Å; G30-D164 PolarHBondContact N-O 3.47Å; G30-D164 PolarHBondContact O-N 3.17Å; D164-Y166 HydrophobicContact CB-CD2 4.34Å; D164-Y166 HydrophobicContact CB-CE1 4.25Å; D164-Y166 HydrophobicContact CB-CE2 4.08Å; D164-Y166 PolarHBondContact OD1-N 3.17Å |
| 165 | F | 71.7 | Confident | 78.3 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -90.3 | -6.8 | 170.2 | -56.7 | -39.5 | 0 | 0 | 0 | 112.3 | A27 R28 N29 R133 W134 D135 G167 E168 | A27-F165 WeakPolarHBondContact O-CE1 3.16Å; A27-F165 VanDerWaalsContact O-CZ 3.23Å; A27-F165 WeakPolarHBondContact O-CZ 3.45Å; R28-F165 HydrophobicContact CB-CD1 3.73Å; R28-F165 HydrophobicContact CB-CE1 3.78Å; R28-F165 HydrophobicContact CB-CG 4.22Å; R28-F165 HydrophobicContact CB-CZ 4.33Å; R28-F165 HydrophobicContact CG-CD1 4Å; R28-F165 HydrophobicContact CG-CD2 4.1Å; R28-F165 HydrophobicContact CG-CE1 3.94Å; R28-F165 HydrophobicContact CG-CE2 4.11Å; R28-F165 HydrophobicContact CG-CG 4.07Å; R28-F165 HydrophobicContact CG-CZ 3.99Å; N29-F165 HydrophobicContact CB-CD1 4.44Å; R133-F165 HydrophobicContact CB-CE1 3.58Å; R133-F165 HydrophobicContact CB-CZ 3.74Å; R133-F165 HydrophobicContact CG-CD1 4.1Å; R133-F165 HydrophobicContact CG-CE1 3.36Å; R133-F165 HydrophobicContact CG-CZ 4Å; R133-F165 VanDerWaalsContact CZ-CE1 3.49Å; R133-F165 VanDerWaalsContact CZ-CG 3.49Å; R133-F165 VanDerWaalsContact NH2-CE2 3.27Å; R133-F165 VanDerWaalsContact NH2-CG 3.33Å; W134-F165 AromaticContact CD1-CE2 3.21Å; W134-F165 AromaticContact CD1-CZ 3.1Å; W134-F165 AromaticContact CE2-CE2 3.9Å; W134-F165 HydrophobicContact CG-CE2 4.17Å; W134-F165 AromaticContact CG-CZ 3.91Å; W134-F165 HydrophobicContact CG-CZ 3.91Å; W134-F165 AromaticContact NE1-CD2 3.92Å; W134-F165 AromaticContact NE1-CE2 2.98Å; W134-F165 AromaticContact NE1-CZ 3.46Å; D135-F165 HydrophobicContact CB-CE2 4.47Å; D135-F165 WeakPolarHBondContact OD1-CE2 3.48Å; D135-F165 WeakPolarHBondContact OD1-CZ 3.32Å; D135-F165 VanDerWaalsContact OD2-CE2 3.31Å; D135-F165 WeakPolarHBondContact OD2-CE2 3.31Å; F165-G167 PolarHBondContact O-N 3.42Å; F165-G167 VanDerWaalsContact O-N 3.14Å; F165-E168 WeakPolarHBondContact O-CB 3.27Å; F165-E168 PolarHBondContact O-N 2.89Å | ||
| 166 | Y | 74.8 | Confident | 78.9 | Confident | 35 Ų | 35 | 34.5 Ų | 34.5 | 14% | 0.137 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 30 | -178.6 | -60.3 | -78.2 | 0 | 0 | 0 | 113 | V31 F127 D164 E168 K215 K218 M219 | V31-Y166 PolarHBondContact O-OH 3.46Å; F127-Y166 HydrophobicContact CE1-CD2 4.41Å; F127-Y166 HydrophobicContact CE1-CE2 4.22Å; F127-Y166 HydrophobicContact CZ-CE2 4.36Å; D164-Y166 HydrophobicContact CB-CD2 4.34Å; D164-Y166 HydrophobicContact CB-CE1 4.25Å; D164-Y166 HydrophobicContact CB-CE2 4.08Å; D164-Y166 PolarHBondContact OD1-N 3.17Å; Y166-E168 PolarHBondContact O-N 3.22Å; Y166-K215 HydrophobicContact CD2-CB 4.43Å; Y166-K218 HydrophobicContact CD1-CB 3.95Å; Y166-K218 HydrophobicContact CG-CB 4.09Å; Y166-K218 WeakPolarHBondContact O-CD 3.44Å; Y166-K218 PolarHBondContact O-NZ 3.33Å; Y166-M219 HydrophobicContact CD1-CB 4.49Å; Y166-M219 HydrophobicContact CD2-CB 4.48Å; Y166-M219 VanDerWaalsContact CE1-CA 3.49Å; Y166-M219 HydrophobicContact CE1-CB 3.84Å; Y166-M219 HydrophobicContact CE1-CG 4.26Å; Y166-M219 HydrophobicContact CE2-CB 3.8Å; Y166-M219 HydrophobicContact CE2-CG 4.16Å; Y166-M219 HydrophobicContact CE2-SD 3.99Å; Y166-M219 VanDerWaalsContact CZ-CB 3.45Å; Y166-M219 WeakPolarHBondContact OH-CG 3.5Å; Y166-M219 PolarHBondContact OH-SD 2.93Å |
| 167 | G | 80.3 | Confident | 79.8 | Confident | 73 Ų | 73 | 33.7 Ų | 33.7 | 75% | 0.753 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 16.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F165 | F165-G167 PolarHBondContact O-N 3.42Å; F165-G167 VanDerWaalsContact O-N 3.14Å |
| 168 | E | 88.7 | Confident | 80.5 | Confident | 21 Ų | 21 | 31.5 Ų | 31.5 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -93 | 147.9 | 178.6 | -64.4 | -66.1 | 151.3 | 0 | 0 | 112.4 | R133 F165 Y166 V211 R214 K215 K218 | R133-E168 PolarHBondContact NH1-O 3.19Å; R133-E168 PolarHBondContact NH2-O 3.03Å; R133-E168 VanDerWaalsContact NH2-O 3.14Å; F165-E168 WeakPolarHBondContact O-CB 3.27Å; F165-E168 PolarHBondContact O-N 2.89Å; Y166-E168 PolarHBondContact O-N 3.22Å; E168-V211 HydrophobicContact CB-CG1 3.74Å; E168-V211 HydrophobicContact CG-CG1 4.13Å; E168-R214 VanDerWaalsContact CD-NE 3.28Å; E168-R214 HydrophobicContact CG-CB 4.41Å; E168-R214 IonicContact OE1-NE 3.99Å; E168-R214 PolarHBondContact OE1-NE 3.32Å; E168-R214 VanDerWaalsContact OE1-NE 3.17Å; E168-R214 IonicContact OE2-CZ 2.86Å; E168-R214 VanDerWaalsContact OE2-CZ 3.28Å; E168-R214 IonicContact OE2-NE 3.53Å; E168-R214 PolarHBondContact OE2-NE 2.94Å; E168-R214 IonicContact OE2-NH2 2.9Å; E168-R214 PolarHBondContact OE2-NH2 3.31Å; E168-K215 HydrophobicContact CB-CG 4.06Å; E168-K215 HydrophobicContact CG-CG 3.85Å; E168-K218 WeakPolarHBondContact OE1-CE 3.34Å; E168-K218 IonicContact OE1-NZ 3.64Å; E168-K218 PolarHBondContact OE1-NZ 2.91Å |
| 169 | R | 91.1 | Very high | 81.9 | Confident | 208 Ų | 208 | 34.5 Ų | 34.5 | 79% | 0.785 | 18% | 0.175 | S | C | * | . | P | Polyproline II helix | trans | -66.3 | 164.2 | 175.7 | -58.2 | -178.7 | -176.9 | -177.9 | -0.1 | 110.9 | R133 | R133-R169 PolarHBondContact NH1-O 2.76Š|
| 170 | Y | 93.3 | Very high | 83.5 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 6% | 0.055 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 137.5 | 167.2 | -165.8 | -84.5 | 0 | 0 | 0 | 110.1 | E130 H131 R133 R136 Y139 I140 Y172 H177 | E130-Y170 HydrophobicContact CG-CE1 4.23Å; E130-Y170 HydrophobicContact CG-CE2 4.15Å; E130-Y170 VanDerWaalsContact O-CE2 3.3Å; E130-Y170 WeakPolarHBondContact O-CE2 3.13Å; H131-Y170 WeakPolarHBondContact CA-OH 3.26Å; R133-Y170 HydrophobicContact CB-CD2 4.38Å; R133-Y170 HydrophobicContact CB-CE2 4.26Å; R133-Y170 HydrophobicContact CG-CD2 4.45Å; R133-Y170 HydrophobicContact CG-CE2 4.42Å; R136-Y170 HydrophobicContact CB-CD2 4.5Å; R136-Y170 HydrophobicContact CB-CE2 3.74Å; Y139-Y170 HydrophobicContact CD1-CD1 4.33Å; Y139-Y170 HydrophobicContact CD1-CG 4.04Å; Y139-Y170 VanDerWaalsContact CD2-CB 3.41Å; Y139-Y170 HydrophobicContact CD2-CD1 4.41Å; Y139-Y170 AromaticContact CD2-CD2 3.58Å; Y139-Y170 HydrophobicContact CD2-CD2 3.58Å; Y139-Y170 HydrophobicContact CD2-CE2 4.48Å; Y139-Y170 AromaticContact CD2-CG 3.55Å; Y139-Y170 HydrophobicContact CD2-CG 3.55Å; Y139-Y170 HydrophobicContact CE2-CD2 4.28Å; Y139-Y170 HydrophobicContact CE2-CG 4.16Å; Y139-Y170 VanDerWaalsContact CG-CB 3.45Å; Y139-Y170 AromaticContact CG-CD1 3.9Å; Y139-Y170 HydrophobicContact CG-CD1 3.9Å; Y139-Y170 AromaticContact CG-CD2 3.91Å; Y139-Y170 HydrophobicContact CG-CD2 3.91Å; Y139-Y170 AromaticContact CG-CG 3.47Å; Y139-Y170 HydrophobicContact CG-CG 3.47Å; Y139-Y170 VanDerWaalsContact CG-CG 3.47Å; I140-Y170 WeakPolarHBondContact CD1-OH 3.42Å; I140-Y170 HydrophobicContact CG2-CE1 4.23Å; Y170-Y172 HydrophobicContact CD1-CD1 4.14Å; Y170-Y172 HydrophobicContact CD1-CE1 4.07Å; Y170-Y172 HydrophobicContact CD1-CE2 4.44Å; Y170-Y172 HydrophobicContact CD1-CG 4.37Å; Y170-Y172 AromaticContact CE1-CD1 3.83Å; Y170-Y172 HydrophobicContact CE1-CD1 3.83Å; Y170-Y172 AromaticContact CE1-CE1 3.89Å; Y170-Y172 HydrophobicContact CE1-CE1 3.89Å; Y170-Y172 HydrophobicContact CE1-CG 4.41Å; Y170-H177 AromaticContact CE1-CD2 3.72Å; Y170-H177 AromaticContact CE1-NE2 3.54Å; Y170-H177 AromaticContact CZ-CD2 3.81Å; Y170-H177 AromaticContact CZ-NE2 3.5Å; Y170-H177 PolarHBondContact OH-CD2 2.88Å; Y170-H177 VanDerWaalsContact OH-CD2 3.27Å; Y170-H177 PolarHBondContact OH-NE2 2.77Å |
| 171 | D | 96 | Very high | 85.4 | Confident | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | trans | -123.2 | 98.2 | -173.4 | -177.7 | 27.2 | 0 | 0 | 0 | 113 | E130 F173 S174 S209 V211 | E130-D171 PolarHBondContact OE1-N 3.06Å; D171-F173 PolarHBondContact O-N 2.96Å; D171-F173 VanDerWaalsContact O-N 3.17Å; D171-F173 WeakPolarHBondContact OD1-CA 3.31Å; D171-F173 WeakPolarHBondContact OD1-CB 3.18Å; D171-F173 PolarHBondContact OD1-N 3.07Å; D171-S174 VanDerWaalsContact CG-N 3.32Å; D171-S174 VanDerWaalsContact O-CB 3.31Å; D171-S174 WeakPolarHBondContact O-CB 3.49Å; D171-S174 PolarHBondContact O-N 3.3Å; D171-S174 VanDerWaalsContact OD2-CA 3.26Å; D171-S174 WeakPolarHBondContact OD2-CA 3.36Å; D171-S174 WeakPolarHBondContact OD2-CB 3.27Å; D171-S174 PolarHBondContact OD2-N 3.46Å; D171-S174 VanDerWaalsContact OD2-N 3.12Å; D171-S209 WeakPolarHBondContact OD2-CB 3.35Å; D171-S209 PolarHBondContact OD2-OG 3.26Å; D171-V211 HydrophobicContact CB-CB 3.91Å; D171-V211 HydrophobicContact CB-CG1 3.98Å; D171-V211 HydrophobicContact CB-CG2 3.97Å; D171-V211 WeakPolarHBondContact OD2-CB 3.42Å | ||
| 172 | Y | 96.4 | Very high | 87.1 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -19.9 | 173.3 | -58.5 | -76.3 | 0 | 0 | 0 | 113.2 | Y139 I140 Y170 A193 Q195 M198 I202 | Y139-Y172 WeakPolarHBondContact CA-OH 2.96Å; Y139-Y172 WeakPolarHBondContact CB-OH 3.25Å; Y139-Y172 WeakPolarHBondContact O-CE1 3.45Å; Y139-Y172 PolarHBondContact O-OH 3Å; I140-Y172 HydrophobicContact CG2-CE1 3.95Å; Y170-Y172 HydrophobicContact CD1-CD1 4.14Å; Y170-Y172 HydrophobicContact CD1-CE1 4.07Å; Y170-Y172 HydrophobicContact CD1-CE2 4.44Å; Y170-Y172 HydrophobicContact CD1-CG 4.37Å; Y170-Y172 AromaticContact CE1-CD1 3.83Å; Y170-Y172 HydrophobicContact CE1-CD1 3.83Å; Y170-Y172 AromaticContact CE1-CE1 3.89Å; Y170-Y172 HydrophobicContact CE1-CE1 3.89Å; Y170-Y172 HydrophobicContact CE1-CG 4.41Å; Y172-A193 HydrophobicContact CD1-CB 4.05Å; Y172-A193 HydrophobicContact CE1-CB 3.62Å; Y172-Q195 HydrophobicContact CE2-CB 3.94Å; Y172-M198 HydrophobicContact CD1-CB 3.9Å; Y172-M198 HydrophobicContact CD1-CG 4.4Å; Y172-M198 HydrophobicContact CD2-CB 4.2Å; Y172-M198 HydrophobicContact CD2-CG 3.78Å; Y172-M198 HydrophobicContact CD2-SD 4.13Å; Y172-M198 HydrophobicContact CE1-CB 4.26Å; Y172-M198 HydrophobicContact CE2-CG 4.16Å; Y172-M198 HydrophobicContact CG-CB 3.85Å; Y172-M198 HydrophobicContact CG-CG 3.9Å; Y172-M198 HydrophobicContact CG-SD 4.17Å; Y172-I202 HydrophobicContact CD1-CG2 3.76Å; Y172-I202 HydrophobicContact CG-CG2 4.36Å |
| 173 | F | 96.5 | Very high | 88.7 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 26% | 0.259 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 14.3 | 176.5 | -55.6 | -92.6 | 0 | 0 | 0 | 111.9 | D171 M198 I201 M205 S209 L238 | D171-F173 PolarHBondContact O-N 2.96Å; D171-F173 VanDerWaalsContact O-N 3.17Å; D171-F173 WeakPolarHBondContact OD1-CA 3.31Å; D171-F173 WeakPolarHBondContact OD1-CB 3.18Å; D171-F173 PolarHBondContact OD1-N 3.07Å; F173-M198 HydrophobicContact CE2-CE 4.41Å; F173-M198 HydrophobicContact CE2-SD 3.84Å; F173-M198 HydrophobicContact CZ-CE 3.99Å; F173-M198 HydrophobicContact CZ-SD 3.83Å; F173-I201 HydrophobicContact CD1-CG2 3.59Å; F173-I201 HydrophobicContact CE1-CG2 3.43Å; F173-I201 VanDerWaalsContact CE1-CG2 3.43Å; F173-I201 HydrophobicContact CG-CG2 4.35Å; F173-I201 HydrophobicContact CZ-CG2 4.06Å; F173-M205 VanDerWaalsContact C-CG 3.49Å; F173-M205 HydrophobicContact CB-CE 4.31Å; F173-M205 HydrophobicContact CB-CG 4.15Å; F173-M205 HydrophobicContact CB-SD 4.06Å; F173-M205 HydrophobicContact CD1-CE 3.64Å; F173-M205 HydrophobicContact CD1-SD 3.89Å; F173-M205 HydrophobicContact CE1-CE 4.47Å; F173-M205 HydrophobicContact CG-CE 4.38Å; F173-M205 HydrophobicContact CG-SD 4.49Å; F173-M205 WeakPolarHBondContact O-CG 3.44Å; F173-S209 WeakPolarHBondContact O-CB 3.31Å; F173-L238 HydrophobicContact CD1-CD2 3.75Å; F173-L238 HydrophobicContact CE1-CD2 4.15Å; F173-L238 HydrophobicContact CG-CD2 4.41Å |
| 174 | S | 96.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -69.7 | 137.1 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | D171 M176 H177 D212 | D171-S174 VanDerWaalsContact CG-N 3.32Å; D171-S174 VanDerWaalsContact O-CB 3.31Å; D171-S174 WeakPolarHBondContact O-CB 3.49Å; D171-S174 PolarHBondContact O-N 3.3Å; D171-S174 VanDerWaalsContact OD2-CA 3.26Å; D171-S174 WeakPolarHBondContact OD2-CA 3.36Å; D171-S174 WeakPolarHBondContact OD2-CB 3.27Å; D171-S174 PolarHBondContact OD2-N 3.46Å; D171-S174 VanDerWaalsContact OD2-N 3.12Å; S174-M176 PolarHBondContact O-N 3.13Å; S174-M176 WeakPolarHBondContact OG-CB 3.47Å; S174-M176 PolarHBondContact OG-N 3.22Å; S174-M176 VanDerWaalsContact OG-N 3.08Å; S174-H177 WeakPolarHBondContact O-CB 3.45Å; S174-H177 PolarHBondContact O-N 2.88Å; S174-H177 VanDerWaalsContact O-N 3.11Å; S174-D212 WeakPolarHBondContact CA-OD2 3.3Å; S174-D212 WeakPolarHBondContact CB-OD1 3.15Å; S174-D212 PolarHBondContact OG-OD1 3.13Å | ||
| 175 | I | 96.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.9 | 169.1 | -164.5 | 156.8 | 0 | 0 | 0 | 111.7 | D115 I118 H119 M122 H177 F208 D212 | D115-I175 HydrophobicContact CB-CD1 4.18Å; I118-I175 HydrophobicContact CB-CD1 3.94Å; I118-I175 HydrophobicContact CG2-CD1 3.7Å; I118-I175 HydrophobicContact CG2-CG2 4.37Å; H119-I175 HydrophobicContact CB-CG1 4.43Å; H119-I175 PolarHBondContact CE1-O 2.79Å; H119-I175 PolarHBondContact ND1-O 2.65Å; M122-I175 HydrophobicContact SD-CG2 3.8Å; I175-H177 VanDerWaalsContact C-N 3.34Å; I175-F208 HydrophobicContact CG2-CD1 4.43Å; I175-D212 PolarHBondContact N-OD2 3.35Å |
| 176 | M | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.5 | 176.6 | -53.4 | -50.6 | -62.8 | 0 | 0 | 113.6 | M122 H123 H129 E130 S174 | M122-M176 HydrophobicContact CB-CE 4.33Å; M122-M176 HydrophobicContact CB-SD 3.54Å; M122-M176 VanDerWaalsContact CB-SD 3.54Å; M122-M176 HydrophobicContact CE-CG 3.69Å; M122-M176 HydrophobicContact CG-CG 4.16Å; M122-M176 HydrophobicContact CG-SD 3.83Å; M122-M176 HydrophobicContact SD-CG 3.49Å; M122-M176 WeakPolarHBondContact SD-CG 3.38Å; M122-M176 HydrophobicContact SD-SD 3.66Å; M122-M176 VanDerWaalsContact SD-SD 3.66Å; H123-M176 WeakPolarHBondContact CE1-CE 3.42Å; H123-M176 VanDerWaalsContact ND1-CE 3.32Å; H123-M176 WeakPolarHBondContact ND1-CE 3.15Å; H129-M176 CarbonylContact C-O 3.51Å; H129-M176 WeakPolarHBondContact CA-O 3.47Å; H129-M176 WeakPolarHBondContact CB-O 3.39Å; H129-M176 PolarHBondContact CD2-O 3.24Å; E130-M176 PolarHBondContact N-O 2.98Å; S174-M176 PolarHBondContact O-N 3.13Å; S174-M176 WeakPolarHBondContact OG-CB 3.47Å; S174-M176 PolarHBondContact OG-N 3.22Å; S174-M176 VanDerWaalsContact OG-N 3.08Å |
| 177 | H | 97 | Very high | 93.8 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -92.9 | 133.8 | 177.7 | -159.1 | -55.2 | 0 | 0 | 0 | 110.7 | E130 Y170 S174 I175 G203 | E130-H177 HydrophobicContact CB-CB 4.01Å; Y170-H177 AromaticContact CE1-CD2 3.72Å; Y170-H177 AromaticContact CE1-NE2 3.54Å; Y170-H177 AromaticContact CZ-CD2 3.81Å; Y170-H177 AromaticContact CZ-NE2 3.5Å; Y170-H177 PolarHBondContact OH-CD2 2.88Å; Y170-H177 VanDerWaalsContact OH-CD2 3.27Å; Y170-H177 PolarHBondContact OH-NE2 2.77Å; S174-H177 WeakPolarHBondContact O-CB 3.45Å; S174-H177 PolarHBondContact O-N 2.88Å; S174-H177 VanDerWaalsContact O-N 3.11Å; I175-H177 VanDerWaalsContact C-N 3.34Å; H177-G203 WeakPolarHBondContact O-CA 3.48Å; H177-G203 PolarHBondContact O-N 2.93Å |
| 178 | Y | 94.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 153.5 | 168.9 | -80.1 | -2.1 | 0 | 0 | 0 | 113.8 | Q8 H129 H131 A182 F183 I202 G203 | Q8-Y178 WeakPolarHBondContact CA-OH 3.4Å; Q8-Y178 VanDerWaalsContact CB-OH 3.26Å; Q8-Y178 WeakPolarHBondContact CB-OH 3.25Å; Q8-Y178 PolarHBondContact O-OH 3.37Å; H129-Y178 AromaticContact CD2-CD1 3.86Å; H129-Y178 AromaticContact CD2-CE1 3.56Å; H129-Y178 AromaticContact CE1-CE1 3.41Å; H129-Y178 VanDerWaalsContact CE1-CE1 3.41Å; H129-Y178 WeakPolarHBondContact CE1-CE1 3.26Å; H129-Y178 AromaticContact CE1-CZ 3.76Å; H129-Y178 AromaticContact CG-CE1 3.9Å; H129-Y178 AromaticContact ND1-CE1 3.81Å; H129-Y178 AromaticContact ND1-CZ 3.96Å; H129-Y178 AromaticContact NE2-CD1 3.94Å; H129-Y178 AromaticContact NE2-CE1 3.22Å; H129-Y178 WeakPolarHBondContact NE2-CE1 3.08Å; H131-Y178 AromaticContact CD2-CD2 3.99Å; H131-Y178 AromaticContact CE1-CD1 3.76Å; H131-Y178 AromaticContact CE1-CD2 3.09Å; H131-Y178 WeakPolarHBondContact CE1-CD2 3.47Å; H131-Y178 AromaticContact CE1-CE1 3.86Å; H131-Y178 AromaticContact CE1-CE2 3.15Å; H131-Y178 WeakPolarHBondContact CE1-CE2 2.91Å; H131-Y178 AromaticContact CE1-CG 3.4Å; H131-Y178 AromaticContact CE1-CZ 3.56Å; H131-Y178 AromaticContact ND1-CD2 3.63Å; H131-Y178 AromaticContact ND1-CG 3.57Å; H131-Y178 AromaticContact NE2-CD2 3.34Å; H131-Y178 VanDerWaalsContact NE2-CD2 3.34Å; H131-Y178 WeakPolarHBondContact NE2-CD2 3.32Å; H131-Y178 AromaticContact NE2-CE2 3.31Å; H131-Y178 VanDerWaalsContact NE2-CE2 3.31Å; H131-Y178 WeakPolarHBondContact NE2-CE2 3.28Å; Y178-A182 HydrophobicContact CD2-CB 3.71Å; Y178-A182 HydrophobicContact CE2-CB 4.4Å; Y178-A182 HydrophobicContact CG-CB 4.01Å; Y178-F183 HydrophobicContact CD2-CE2 4.33Å; Y178-F183 HydrophobicContact CE2-CD2 4.07Å; Y178-F183 AromaticContact CE2-CE2 3.49Å; Y178-F183 HydrophobicContact CE2-CE2 3.49Å; Y178-F183 VanDerWaalsContact CE2-CE2 3.49Å; Y178-F183 AromaticContact CZ-CE2 3.76Å; Y178-I202 CarbonylContact O-C 3.38Å; Y178-G203 PolarHBondContact O-N 2.88Å |
| 179 | D | 95.3 | Very high | 95 | Very high | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 164.2 | 167.8 | 74.4 | 75.1 | 0 | 0 | 0 | 112 | K181 A182 | D179-K181 PolarHBondContact O-N 3.29Å; D179-K181 VanDerWaalsContact O-N 3.12Å; D179-K181 WeakPolarHBondContact OD1-CA 3.49Å; D179-K181 PolarHBondContact OD1-N 3.34Å; D179-A182 PolarHBondContact O-N 2.79Å; D179-A182 PolarHBondContact OD1-N 2.86Å |
| 180 | S | 97 | Very high | 95.2 | Very high | 13 Ų | 13 | 46 Ų | 46 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.2 | -175 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | R189 T190 I191 T199 | S180-R189 CarbonylContact O-C 3.58Å; S180-R189 WeakPolarHBondContact O-CA 3.48Å; S180-R189 WeakPolarHBondContact O-CB 3.17Å; S180-T190 PolarHBondContact O-N 3Å; S180-T190 PolarHBondContact O-OG1 3.14Å; S180-I191 WeakPolarHBondContact CB-O 3.35Å; S180-I191 PolarHBondContact O-N 2.83Å; S180-T199 WeakPolarHBondContact CB-O 3.46Å |
| 181 | K | 94.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 45.3 Ų | 45.3 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 8.3 | -177.6 | -64.8 | -174.9 | -179.7 | -176.8 | 0 | 113.3 | D179 F183 T184 | D179-K181 PolarHBondContact O-N 3.29Å; D179-K181 VanDerWaalsContact O-N 3.12Å; D179-K181 WeakPolarHBondContact OD1-CA 3.49Å; D179-K181 PolarHBondContact OD1-N 3.34Å; K181-F183 PolarHBondContact O-N 3.36Å; K181-T184 HydrophobicContact CB-CG2 4.25Å; K181-T184 VanDerWaalsContact O-CB 3.29Å; K181-T184 WeakPolarHBondContact O-CB 3.47Å; K181-T184 WeakPolarHBondContact O-CG2 3.23Å; K181-T184 PolarHBondContact O-N 3.35Å; K181-T184 VanDerWaalsContact O-N 3.1Å |
| 182 | A | 90.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 130.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | F155 Y178 D179 T184 T190 | F155-A182 HydrophobicContact CZ-CB 4.5Å; F155-A182 WeakPolarHBondContact CZ-O 3.34Å; Y178-A182 HydrophobicContact CD2-CB 3.71Å; Y178-A182 HydrophobicContact CE2-CB 4.4Å; Y178-A182 HydrophobicContact CG-CB 4.01Å; D179-A182 PolarHBondContact O-N 2.79Å; D179-A182 PolarHBondContact OD1-N 2.86Å; A182-T184 PolarHBondContact O-N 2.88Å; A182-T184 VanDerWaalsContact O-N 3.12Å; A182-T190 PolarHBondContact N-OG1 3.19Å; A182-T190 WeakPolarHBondContact O-CB 3.02Å; A182-T190 VanDerWaalsContact O-CG2 3.27Å; A182-T190 WeakPolarHBondContact O-CG2 3.28Å; A182-T190 PolarHBondContact O-OG1 3.34Å |
| 183 | F | 89.5 | Confident | 95.6 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 26.9 | 179.1 | -54 | -85.2 | 0 | 0 | 0 | 116.1 | I147 A148 A151 Q154 F155 Y178 K181 | I147-F183 HydrophobicContact CG2-CB 4.42Å; A148-F183 PolarHBondContact N-O 2.69Å; A151-F183 HydrophobicContact CB-CB 3.71Å; A151-F183 HydrophobicContact CB-CD1 3.72Å; A151-F183 HydrophobicContact CB-CG 3.91Å; Q154-F183 HydrophobicContact CB-CD2 4.04Å; Q154-F183 HydrophobicContact CB-CE1 4.36Å; Q154-F183 HydrophobicContact CB-CE2 3.89Å; Q154-F183 HydrophobicContact CB-CG 4.37Å; Q154-F183 HydrophobicContact CB-CZ 4.04Å; Q154-F183 HydrophobicContact CG-CD1 4.18Å; Q154-F183 HydrophobicContact CG-CE1 3.92Å; Q154-F183 HydrophobicContact CG-CE2 4.35Å; Q154-F183 HydrophobicContact CG-CG 4.49Å; Q154-F183 HydrophobicContact CG-CZ 4.02Å; F155-F183 HydrophobicContact CE2-CB 3.92Å; F155-F183 AromaticContact CE2-CD2 3.92Å; F155-F183 HydrophobicContact CE2-CD2 3.92Å; F155-F183 HydrophobicContact CE2-CG 4.25Å; F155-F183 HydrophobicContact CZ-CB 4.3Å; F155-F183 HydrophobicContact CZ-CD2 4.1Å; Y178-F183 HydrophobicContact CD2-CE2 4.33Å; Y178-F183 HydrophobicContact CE2-CD2 4.07Å; Y178-F183 AromaticContact CE2-CE2 3.49Å; Y178-F183 HydrophobicContact CE2-CE2 3.49Å; Y178-F183 VanDerWaalsContact CE2-CE2 3.49Å; Y178-F183 AromaticContact CZ-CE2 3.76Å; K181-F183 PolarHBondContact O-N 3.36Å |
| 184 | T | 94.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -65.4 | 136.1 | 177 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | N146 K181 A182 N186 G187 R188 | N146-T184 CarbonylContact O-C 3.58Å; N146-T184 WeakPolarHBondContact O-CA 3.15Å; K181-T184 HydrophobicContact CB-CG2 4.25Å; K181-T184 VanDerWaalsContact O-CB 3.29Å; K181-T184 WeakPolarHBondContact O-CB 3.47Å; K181-T184 WeakPolarHBondContact O-CG2 3.23Å; K181-T184 PolarHBondContact O-N 3.35Å; K181-T184 VanDerWaalsContact O-N 3.1Å; A182-T184 PolarHBondContact O-N 2.88Å; A182-T184 VanDerWaalsContact O-N 3.12Å; T184-N186 PolarHBondContact OG1-N 3.49Å; T184-N186 PolarHBondContact OG1-OD1 2.72Å; T184-G187 PolarHBondContact OG1-N 3.38Å; T184-R188 VanDerWaalsContact CB-O 3.25Å; T184-R188 WeakPolarHBondContact CB-O 3.09Å; T184-R188 PolarHBondContact OG1-N 3.13Å; T184-R188 PolarHBondContact OG1-O 3.15Å |
| 185 | R | 93.6 | Very high | 95.7 | Very high | 158 Ų | 158 | 53.8 Ų | 53.8 | 60% | 0.596 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -90.1 | -13.4 | 174.1 | 76.7 | -176.7 | 176.3 | 124 | -1.9 | 114 | E145 N146 A148 | E145-R185 PolarHBondContact O-NE 3.07Å; E145-R185 PolarHBondContact O-NH2 2.81Å; N146-R185 WeakPolarHBondContact O-CG 3.32Å; N146-R185 PolarHBondContact O-N 2.95Å; A148-R185 HydrophobicContact CB-CB 4.25Å |
| 186 | N | 96.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 58.9 Ų | 58.9 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -137.9 | 11.5 | -168.9 | 62.1 | 12.3 | 0 | 0 | 0 | 113.3 | N146 T184 R188 | N146-N186 PolarHBondContact OD1-ND2 2.95Å; T184-N186 PolarHBondContact OG1-N 3.49Å; T184-N186 PolarHBondContact OG1-OD1 2.72Å; N186-R188 PolarHBondContact O-N 2.92Å; N186-R188 WeakPolarHBondContact OD1-CB 3.34Å; N186-R188 WeakPolarHBondContact OD1-CG 3.41Å; N186-R188 PolarHBondContact OD1-N 2.97Å |
| 187 | G | 94.3 | Very high | 95.6 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 46% | 0.464 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 73.7 | -1.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T184 | T184-G187 PolarHBondContact OG1-N 3.38Š|
| 188 | R | 97.3 | Very high | 95.6 | Very high | 168 Ų | 168 | 62.6 Ų | 62.6 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -87 | 164.2 | 175.7 | -55.6 | -178.4 | 174.7 | -179.4 | -3.5 | 110.5 | T184 N186 | T184-R188 VanDerWaalsContact CB-O 3.25Å; T184-R188 WeakPolarHBondContact CB-O 3.09Å; T184-R188 PolarHBondContact OG1-N 3.13Å; T184-R188 PolarHBondContact OG1-O 3.15Å; N186-R188 PolarHBondContact O-N 2.92Å; N186-R188 WeakPolarHBondContact OD1-CB 3.34Å; N186-R188 WeakPolarHBondContact OD1-CG 3.41Å; N186-R188 PolarHBondContact OD1-N 2.97Å |
| 189 | R | 97.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 30% | 0.298 | 33% | 0.328 | S | S | . | . | trans | -61.5 | 140.5 | 179.6 | -66.7 | 176.4 | 173.8 | 160.7 | -4 | 111.2 | L143 N146 S180 E192 D200 | L143-R189 HydrophobicContact CD1-CB 4.35Å; L143-R189 WeakPolarHBondContact CD1-O 3.45Å; N146-R189 VanDerWaalsContact CB-O 3.25Å; N146-R189 WeakPolarHBondContact CB-O 3.48Å; N146-R189 PolarHBondContact ND2-O 3.14Å; S180-R189 CarbonylContact O-C 3.58Å; S180-R189 WeakPolarHBondContact O-CA 3.48Å; S180-R189 WeakPolarHBondContact O-CB 3.17Å; R189-E192 HydrophobicContact CB-CG 4.38Å; R189-D200 IonicContact CZ-OD1 3.91Å; R189-D200 VanDerWaalsContact NH2-CG 3.28Å; R189-D200 IonicContact NH2-OD1 3.65Å; R189-D200 PolarHBondContact NH2-OD1 2.9Å; R189-D200 IonicContact NH2-OD2 3.68Å; R189-D200 PolarHBondContact NH2-OD2 3.34Å; R189-D200 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 190 | T | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -105.5 | -22.6 | 171.7 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | L143 N146 I147 S180 A182 | L143-T190 PolarHBondContact N-O 2.83Å; N146-T190 HydrophobicContact CB-CG2 4.17Å; I147-T190 HydrophobicContact CB-CG2 4.4Å; I147-T190 HydrophobicContact CG1-CG2 3.57Å; S180-T190 PolarHBondContact O-N 3Å; S180-T190 PolarHBondContact O-OG1 3.14Å; A182-T190 PolarHBondContact N-OG1 3.19Å; A182-T190 WeakPolarHBondContact O-CB 3.02Å; A182-T190 VanDerWaalsContact O-CG2 3.27Å; A182-T190 WeakPolarHBondContact O-CG2 3.28Å; A182-T190 PolarHBondContact O-OG1 3.34Å |
| 191 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.2 | 174.7 | -52 | 178.9 | 0 | 0 | 0 | 109.2 | H131 I140 N141 I142 F155 S180 I202 | H131-I191 HydrophobicContact CB-CD1 4.2Å; I140-I191 HydrophobicContact CB-CG2 3.82Å; I140-I191 HydrophobicContact CD1-CG2 3.81Å; I140-I191 HydrophobicContact CG1-CG2 4.39Å; I140-I191 HydrophobicContact CG2-CG2 3.94Å; N141-I191 WeakPolarHBondContact O-CA 3.31Å; I142-I191 HydrophobicContact CD1-CG1 4.01Å; I142-I191 HydrophobicContact CD1-CG2 4.45Å; F155-I191 HydrophobicContact CD1-CG1 4.46Å; F155-I191 HydrophobicContact CE1-CD1 3.93Å; F155-I191 HydrophobicContact CE1-CG1 3.77Å; S180-I191 WeakPolarHBondContact CB-O 3.35Å; S180-I191 PolarHBondContact O-N 2.83Å; I191-I202 HydrophobicContact CB-CD1 3.93Å; I191-I202 HydrophobicContact CG2-CD1 3.65Å |
| 192 | E | 98 | Very high | 95.7 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.9 | 169.2 | -69.6 | -169.1 | 154.7 | 0 | 0 | 110.7 | I140 N141 L143 R189 T199 | I140-E192 CarbonylContact C-O 3.2Å; I140-E192 VanDerWaalsContact CA-O 3.22Å; I140-E192 WeakPolarHBondContact CA-O 3.31Å; N141-E192 HydrophobicContact CB-CB 4.48Å; N141-E192 PolarHBondContact N-O 2.91Å; N141-E192 PolarHBondContact O-N 2.81Å; L143-E192 HydrophobicContact CD1-CG 3.73Å; L143-E192 HydrophobicContact CG-CG 4.31Å; R189-E192 HydrophobicContact CB-CG 4.38Å; E192-T199 HydrophobicContact CG-CG2 4.4Å |
| 193 | A | 98.1 | Very high | 95.8 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y172 Q195 M198 T199 | Y172-A193 HydrophobicContact CD1-CB 4.05Å; Y172-A193 HydrophobicContact CE1-CB 3.62Å; A193-Q195 VanDerWaalsContact C-N 3.29Å; A193-M198 HydrophobicContact CB-CB 3.54Å; A193-T199 PolarHBondContact N-OG1 3.38Å |
| 194 | V | 97.7 | Very high | 96 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 49% | 0.485 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -66.5 | -36.2 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | Y139 P196 | Y139-V194 WeakPolarHBondContact O-CB 3.33Å; Y139-V194 WeakPolarHBondContact O-CG2 3.43Å; Y139-V194 PolarHBondContact O-N 2.85Å; V194-P196 WeakPolarHBondContact O-CD 3.25Å |
| 195 | Q | 96.4 | Very high | 96 | Very high | 97 Ų | 97 | 60.7 Ų | 60.7 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -74.3 | 124.3 | 176.4 | -176.3 | 172 | -5.6 | 0 | 0 | 111 | Y172 A193 G197 M198 | Y172-Q195 HydrophobicContact CE2-CB 3.94Å; A193-Q195 VanDerWaalsContact C-N 3.29Å; Q195-G197 PolarHBondContact O-N 3.02Å; Q195-M198 HydrophobicContact CB-CB 4.3Å; Q195-M198 HydrophobicContact CB-CG 3.77Å; Q195-M198 HydrophobicContact CG-CG 3.73Å; Q195-M198 WeakPolarHBondContact O-CB 3.22Å; Q195-M198 PolarHBondContact O-N 3.25Å; Q195-M198 VanDerWaalsContact O-N 3.16Å |
| 196 | P | 95.6 | Very high | 95.9 | Very high | 120 Ų | 120 | 59.3 Ų | 59.3 | 78% | 0.779 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 135.4 | 179.1 | -27.8 | 35.5 | 0 | 0 | 0 | 112.9 | V194 M198 | V194-P196 WeakPolarHBondContact O-CD 3.25Å; P196-M198 VanDerWaalsContact C-N 3.25Å; P196-M198 PolarHBondContact O-N 3.39Å |
| 197 | G | 95.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 57.9 Ų | 57.9 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -12.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q195 I201 | Q195-G197 PolarHBondContact O-N 3.02Å; G197-I201 WeakPolarHBondContact O-CG1 3.21Å |
| 198 | M | 97.2 | Very high | 96 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 14% | 0.138 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -78.1 | -20.6 | -178.1 | -68.2 | -63 | 120.2 | 0 | 0 | 113.7 | Y172 F173 A193 Q195 P196 D200 I201 I202 | Y172-M198 HydrophobicContact CD1-CB 3.9Å; Y172-M198 HydrophobicContact CD1-CG 4.4Å; Y172-M198 HydrophobicContact CD2-CB 4.2Å; Y172-M198 HydrophobicContact CD2-CG 3.78Å; Y172-M198 HydrophobicContact CD2-SD 4.13Å; Y172-M198 HydrophobicContact CE1-CB 4.26Å; Y172-M198 HydrophobicContact CE2-CG 4.16Å; Y172-M198 HydrophobicContact CG-CB 3.85Å; Y172-M198 HydrophobicContact CG-CG 3.9Å; Y172-M198 HydrophobicContact CG-SD 4.17Å; F173-M198 HydrophobicContact CE2-CE 4.41Å; F173-M198 HydrophobicContact CE2-SD 3.84Å; F173-M198 HydrophobicContact CZ-CE 3.99Å; F173-M198 HydrophobicContact CZ-SD 3.83Å; A193-M198 HydrophobicContact CB-CB 3.54Å; Q195-M198 HydrophobicContact CB-CB 4.3Å; Q195-M198 HydrophobicContact CB-CG 3.77Å; Q195-M198 HydrophobicContact CG-CG 3.73Å; Q195-M198 WeakPolarHBondContact O-CB 3.22Å; Q195-M198 PolarHBondContact O-N 3.25Å; Q195-M198 VanDerWaalsContact O-N 3.16Å; P196-M198 VanDerWaalsContact C-N 3.25Å; P196-M198 PolarHBondContact O-N 3.39Å; M198-D200 VanDerWaalsContact C-N 3.25Å; M198-D200 PolarHBondContact O-N 2.81Å; M198-I201 WeakPolarHBondContact O-CB 3.26Å; M198-I201 PolarHBondContact O-N 3.23Å; M198-I201 HydrophobicContact SD-CB 4.44Å; M198-I201 HydrophobicContact SD-CG2 4.39Å; M198-I202 PolarHBondContact O-N 2.93Å; M198-I202 VanDerWaalsContact O-N 3.09Å |
| 199 | T | 97.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -60.8 | -32.7 | -179.4 | -54.5 | 0 | 0 | 0 | 0 | 113.3 | S180 E192 A193 I201 I202 | S180-T199 WeakPolarHBondContact CB-O 3.46Å; E192-T199 HydrophobicContact CG-CG2 4.4Å; A193-T199 PolarHBondContact N-OG1 3.38Å; T199-I201 VanDerWaalsContact C-N 3.33Å; T199-I202 VanDerWaalsContact O-CG1 3.31Å; T199-I202 WeakPolarHBondContact O-CG1 3.49Å |
| 200 | D | 94.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -89.3 | -2.8 | 178 | -62.9 | -49.4 | 0 | 0 | 0 | 112.7 | R189 M198 Q204 | R189-D200 IonicContact CZ-OD1 3.91Å; R189-D200 VanDerWaalsContact NH2-CG 3.28Å; R189-D200 IonicContact NH2-OD1 3.65Å; R189-D200 PolarHBondContact NH2-OD1 2.9Å; R189-D200 IonicContact NH2-OD2 3.68Å; R189-D200 PolarHBondContact NH2-OD2 3.34Å; R189-D200 VanDerWaalsContact NH2-OD2 3.16Å; M198-D200 VanDerWaalsContact C-N 3.25Å; M198-D200 PolarHBondContact O-N 2.81Å; D200-Q204 WeakPolarHBondContact O-CG 3.11Å |
| 201 | I | 95.3 | Very high | 95.6 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -36.8 | -179.3 | -63 | -61.6 | 0 | 0 | 0 | 111.4 | F173 G197 M198 T199 G203 Q204 M205 L241 | F173-I201 HydrophobicContact CD1-CG2 3.59Å; F173-I201 HydrophobicContact CE1-CG2 3.43Å; F173-I201 VanDerWaalsContact CE1-CG2 3.43Å; F173-I201 HydrophobicContact CG-CG2 4.35Å; F173-I201 HydrophobicContact CZ-CG2 4.06Å; G197-I201 WeakPolarHBondContact O-CG1 3.21Å; M198-I201 WeakPolarHBondContact O-CB 3.26Å; M198-I201 PolarHBondContact O-N 3.23Å; M198-I201 HydrophobicContact SD-CB 4.44Å; M198-I201 HydrophobicContact SD-CG2 4.39Å; T199-I201 VanDerWaalsContact C-N 3.33Å; I201-G203 PolarHBondContact O-N 3.47Å; I201-Q204 WeakPolarHBondContact O-CB 3.41Å; I201-Q204 PolarHBondContact O-N 3.29Å; I201-Q204 VanDerWaalsContact O-N 3.17Å; I201-M205 HydrophobicContact CG2-CE 3.49Å; I201-M205 VanDerWaalsContact CG2-CE 3.49Å; I201-M205 VanDerWaalsContact O-CE 3.31Å; I201-M205 WeakPolarHBondContact O-CE 3.37Å; I201-L241 HydrophobicContact CD1-CD1 4.44Å |
| 202 | I | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 137 | 179.5 | 56.9 | 166.8 | 0 | 0 | 0 | 111.5 | Y172 Y178 I191 M198 T199 Q204 | Y172-I202 HydrophobicContact CD1-CG2 3.76Å; Y172-I202 HydrophobicContact CG-CG2 4.36Å; Y178-I202 CarbonylContact O-C 3.38Å; I191-I202 HydrophobicContact CB-CD1 3.93Å; I191-I202 HydrophobicContact CG2-CD1 3.65Å; M198-I202 PolarHBondContact O-N 2.93Å; M198-I202 VanDerWaalsContact O-N 3.09Å; T199-I202 VanDerWaalsContact O-CG1 3.31Å; T199-I202 WeakPolarHBondContact O-CG1 3.49Å; I202-Q204 PolarHBondContact O-N 2.72Å |
| 203 | G | 93.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 9.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H177 Y178 I201 | H177-G203 WeakPolarHBondContact O-CA 3.48Å; H177-G203 PolarHBondContact O-N 2.93Å; Y178-G203 PolarHBondContact O-N 2.88Å; I201-G203 PolarHBondContact O-N 3.47Å |
| 204 | Q | 92.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | trans | -101.6 | -1.7 | 179.1 | -58 | -54 | -54.1 | 0 | 0 | 114.2 | D200 I201 I202 | D200-Q204 WeakPolarHBondContact O-CG 3.11Å; I201-Q204 WeakPolarHBondContact O-CB 3.41Å; I201-Q204 PolarHBondContact O-N 3.29Å; I201-Q204 VanDerWaalsContact O-N 3.17Å; I202-Q204 PolarHBondContact O-N 2.72Å | ||
| 205 | M | 94 | Very high | 94.9 | Very high | 21 Ų | 21 | 45 Ų | 45 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | trans | -68.2 | 141.3 | -175.2 | -76.8 | -28.8 | 105.3 | 0 | 0 | 113 | F173 I201 | F173-M205 VanDerWaalsContact C-CG 3.49Å; F173-M205 HydrophobicContact CB-CE 4.31Å; F173-M205 HydrophobicContact CB-CG 4.15Å; F173-M205 HydrophobicContact CB-SD 4.06Å; F173-M205 HydrophobicContact CD1-CE 3.64Å; F173-M205 HydrophobicContact CD1-SD 3.89Å; F173-M205 HydrophobicContact CE1-CE 4.47Å; F173-M205 HydrophobicContact CG-CE 4.38Å; F173-M205 HydrophobicContact CG-SD 4.49Å; F173-M205 WeakPolarHBondContact O-CG 3.44Å; I201-M205 HydrophobicContact CG2-CE 3.49Å; I201-M205 VanDerWaalsContact CG2-CE 3.49Å; I201-M205 VanDerWaalsContact O-CE 3.31Å; I201-M205 WeakPolarHBondContact O-CE 3.37Å | ||
| 206 | K | 93 | Very high | 94.8 | Very high | 129 Ų | 129 | 40.4 Ų | 40.4 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -110.4 | -0.4 | -177.7 | -59.6 | -53.7 | -176.3 | -170 | 0 | 114.3 | Y114 D115 | Y114-K206 WeakPolarHBondContact CD1-O 3.4Å; Y114-K206 WeakPolarHBondContact CE1-O 3.17Å; D115-K206 HydrophobicContact CB-CD 4.29Å; D115-K206 WeakPolarHBondContact OD2-CD 3.32Å; D115-K206 IonicContact OD2-NZ 4Å; D115-K206 PolarHBondContact OD2-NZ 2.91Å |
| 207 | D | 95.7 | Very high | 94.7 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -157.6 | 174 | 176.4 | -154.9 | -9.5 | 0 | 0 | 0 | 108.3 | R69 Y114 S209 | R69-D207 IonicContact CZ-OD1 2.81Å; R69-D207 IonicContact CZ-OD2 2.85Å; R69-D207 VanDerWaalsContact CZ-OD2 3.29Å; R69-D207 IonicContact NH1-OD1 2.66Å; R69-D207 PolarHBondContact NH1-OD1 3.2Å; R69-D207 IonicContact NH1-OD2 3.61Å; R69-D207 PolarHBondContact NH1-OD2 2.74Å; R69-D207 IonicContact NH2-OD2 3.17Å; R69-D207 PolarHBondContact NH2-OD2 2.89Å; Y114-D207 HydrophobicContact CE1-CB 4.17Å; Y114-D207 VanDerWaalsContact OH-CG 3.26Å; Y114-D207 PolarHBondContact OH-OD1 3.31Å; Y114-D207 PolarHBondContact OH-OD2 3.11Å; D207-S209 PolarHBondContact O-N 2.46Å |
| 208 | F | 95.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | trans | -56.8 | 141.4 | 175.1 | -56.5 | -81.3 | 0 | 0 | 0 | 111.9 | A65 Y66 I118 M122 I175 D212 L213 I216 | A65-F208 HydrophobicContact CB-CE2 4.18Å; Y66-F208 HydrophobicContact CD1-CE1 4.31Å; Y66-F208 AromaticContact CD1-CZ 3.78Å; Y66-F208 HydrophobicContact CD1-CZ 3.78Å; Y66-F208 AromaticContact CD2-CZ 3.77Å; Y66-F208 HydrophobicContact CD2-CZ 3.77Å; Y66-F208 AromaticContact CE1-CE1 3.63Å; Y66-F208 HydrophobicContact CE1-CE1 3.63Å; Y66-F208 AromaticContact CE1-CZ 3.48Å; Y66-F208 HydrophobicContact CE1-CZ 3.48Å; Y66-F208 VanDerWaalsContact CE1-CZ 3.48Å; Y66-F208 HydrophobicContact CE2-CE1 4.15Å; Y66-F208 HydrophobicContact CE2-CE2 4.5Å; Y66-F208 AromaticContact CE2-CZ 3.49Å; Y66-F208 HydrophobicContact CE2-CZ 3.49Å; Y66-F208 VanDerWaalsContact CE2-CZ 3.49Å; Y66-F208 AromaticContact CG-CZ 3.9Å; Y66-F208 HydrophobicContact CG-CZ 3.9Å; Y66-F208 AromaticContact CZ-CE1 3.53Å; Y66-F208 AromaticContact CZ-CZ 3.32Å; Y66-F208 WeakPolarHBondContact OH-CE1 3.18Å; I118-F208 HydrophobicContact CD1-CD2 4.22Å; I118-F208 HydrophobicContact CD1-CE2 3.43Å; I118-F208 VanDerWaalsContact CD1-CE2 3.43Å; I118-F208 HydrophobicContact CD1-CZ 3.67Å; I118-F208 HydrophobicContact CG2-CD1 3.85Å; I118-F208 HydrophobicContact CG2-CD2 4.29Å; I118-F208 HydrophobicContact CG2-CE1 3.38Å; I118-F208 HydrophobicContact CG2-CE2 3.9Å; I118-F208 HydrophobicContact CG2-CG 4.29Å; I118-F208 HydrophobicContact CG2-CZ 3.42Å; I118-F208 VanDerWaalsContact CG2-CZ 3.42Å; M122-F208 HydrophobicContact SD-CD1 4.2Å; M122-F208 HydrophobicContact SD-CE1 4.24Å; I175-F208 HydrophobicContact CG2-CD1 4.43Å; F208-D212 HydrophobicContact CB-CB 4.13Å; F208-D212 HydrophobicContact CD1-CB 4.18Å; F208-L213 HydrophobicContact CB-CD1 4.28Å; F208-L213 HydrophobicContact CB-CD2 3.86Å; F208-L213 HydrophobicContact CB-CG 3.74Å; F208-L213 HydrophobicContact CD1-CD2 4.21Å; F208-L213 HydrophobicContact CD2-CD2 3.84Å; F208-L213 HydrophobicContact CE2-CD2 4.36Å; F208-L213 HydrophobicContact CG-CD2 3.72Å; F208-L213 HydrophobicContact CG-CG 4.18Å; F208-I216 HydrophobicContact CD1-CD1 4.14Å; F208-I216 HydrophobicContact CE1-CD1 3.88Å | ||
| 209 | S | 95.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | trans | -72.2 | 163.3 | 161.7 | 101.5 | 0 | 0 | 0 | 0 | 111.2 | D171 F173 D207 V211 D212 L213 | D171-S209 WeakPolarHBondContact OD2-CB 3.35Å; D171-S209 PolarHBondContact OD2-OG 3.26Å; F173-S209 WeakPolarHBondContact O-CB 3.31Å; D207-S209 PolarHBondContact O-N 2.46Å; S209-V211 PolarHBondContact O-N 3.4Å; S209-V211 WeakPolarHBondContact OG-CA 3.42Å; S209-V211 WeakPolarHBondContact OG-CB 3.41Å; S209-V211 PolarHBondContact OG-N 3.3Å; S209-D212 WeakPolarHBondContact CB-OD2 3.49Å; S209-D212 PolarHBondContact N-OD2 3.2Å; S209-D212 PolarHBondContact O-N 2.75Å; S209-D212 PolarHBondContact OG-N 3.49Å; S209-D212 PolarHBondContact OG-OD2 2.9Å; S209-L213 PolarHBondContact O-N 2.95Å | ||
| 210 | A | 93.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 40% | 0.397 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.7 | -31.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R214 I230 | A210-R214 WeakPolarHBondContact O-CG 3.15Å; A210-R214 PolarHBondContact O-N 3.1Å; A210-R214 VanDerWaalsContact O-N 3.16Å; A210-R214 PolarHBondContact O-NH1 3.15Å; A210-I230 HydrophobicContact CB-CG2 3.62Å; A210-I230 WeakPolarHBondContact O-CG2 3.26Å |
| 211 | V | 93.2 | Very high | 94 | Very high | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.097 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -73.1 | -41.7 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | E168 D171 S209 L213 R214 K215 | E168-V211 HydrophobicContact CB-CG1 3.74Å; E168-V211 HydrophobicContact CG-CG1 4.13Å; D171-V211 HydrophobicContact CB-CB 3.91Å; D171-V211 HydrophobicContact CB-CG1 3.98Å; D171-V211 HydrophobicContact CB-CG2 3.97Å; D171-V211 WeakPolarHBondContact OD2-CB 3.42Å; S209-V211 PolarHBondContact O-N 3.4Å; S209-V211 WeakPolarHBondContact OG-CA 3.42Å; S209-V211 WeakPolarHBondContact OG-CB 3.41Å; S209-V211 PolarHBondContact OG-N 3.3Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.48Å; V211-R214 PolarHBondContact O-N 2.77Å; V211-R214 VanDerWaalsContact O-N 3.17Å; V211-K215 HydrophobicContact CG1-CD 4.08Å; V211-K215 HydrophobicContact CG1-CG 4.22Å; V211-K215 WeakPolarHBondContact O-CB 3.42Å; V211-K215 WeakPolarHBondContact O-CG 3.07Å; V211-K215 PolarHBondContact O-N 2.86Å |
| 212 | D | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.7 | -50.7 | 175.9 | -67 | -31.2 | 0 | 0 | 0 | 110.4 | M122 S174 I175 F208 S209 R214 K215 I216 | M122-D212 HydrophobicContact CE-CB 3.83Å; M122-D212 HydrophobicContact SD-CB 4.24Å; S174-D212 WeakPolarHBondContact CA-OD2 3.3Å; S174-D212 WeakPolarHBondContact CB-OD1 3.15Å; S174-D212 PolarHBondContact OG-OD1 3.13Å; I175-D212 PolarHBondContact N-OD2 3.35Å; F208-D212 HydrophobicContact CB-CB 4.13Å; F208-D212 HydrophobicContact CD1-CB 4.18Å; S209-D212 WeakPolarHBondContact CB-OD2 3.49Å; S209-D212 PolarHBondContact N-OD2 3.2Å; S209-D212 PolarHBondContact O-N 2.75Å; S209-D212 PolarHBondContact OG-N 3.49Å; S209-D212 PolarHBondContact OG-OD2 2.9Å; D212-R214 PolarHBondContact O-N 3.07Å; D212-K215 WeakPolarHBondContact O-CB 3.44Å; D212-K215 PolarHBondContact O-N 3.43Å; D212-I216 VanDerWaalsContact O-CG1 3.31Å; D212-I216 WeakPolarHBondContact O-CG1 3.42Å; D212-I216 PolarHBondContact O-N 3.14Å |
| 213 | L | 95.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 178.5 | -64.7 | 174.9 | 0 | 0 | 0 | 112.3 | R69 T70 F208 S209 V211 I216 N217 I230 | R69-L213 HydrophobicContact CB-CD1 4.12Å; R69-L213 HydrophobicContact CB-CD2 3.74Å; T70-L213 HydrophobicContact CG2-CD2 3.9Å; F208-L213 HydrophobicContact CB-CD1 4.28Å; F208-L213 HydrophobicContact CB-CD2 3.86Å; F208-L213 HydrophobicContact CB-CG 3.74Å; F208-L213 HydrophobicContact CD1-CD2 4.21Å; F208-L213 HydrophobicContact CD2-CD2 3.84Å; F208-L213 HydrophobicContact CE2-CD2 4.36Å; F208-L213 HydrophobicContact CG-CD2 3.72Å; F208-L213 HydrophobicContact CG-CG 4.18Å; S209-L213 PolarHBondContact O-N 2.95Å; V211-L213 VanDerWaalsContact C-N 3.32Å; V211-L213 PolarHBondContact O-N 3.48Å; L213-I216 PolarHBondContact O-N 2.61Å; L213-N217 VanDerWaalsContact O-CB 3.23Å; L213-N217 WeakPolarHBondContact O-CB 3.44Å; L213-N217 PolarHBondContact O-N 3.05Å; L213-N217 PolarHBondContact O-ND2 3.48Å; L213-N217 VanDerWaalsContact O-ND2 3.07Å; L213-I230 HydrophobicContact CB-CD1 3.42Å; L213-I230 VanDerWaalsContact CB-CD1 3.42Å; L213-I230 HydrophobicContact CB-CG1 3.82Å; L213-I230 HydrophobicContact CD1-CG1 4.01Å |
| 214 | R | 93.2 | Very high | 93.3 | Very high | 76 Ų | 76 | 41.3 Ų | 41.3 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.3 | -75.4 | -167.7 | -53.3 | -84.9 | 2.2 | 111.8 | E168 A210 V211 D212 N217 K218 I230 | E168-R214 VanDerWaalsContact CD-NE 3.28Å; E168-R214 HydrophobicContact CG-CB 4.41Å; E168-R214 IonicContact OE1-NE 3.99Å; E168-R214 PolarHBondContact OE1-NE 3.32Å; E168-R214 VanDerWaalsContact OE1-NE 3.17Å; E168-R214 IonicContact OE2-CZ 2.86Å; E168-R214 VanDerWaalsContact OE2-CZ 3.28Å; E168-R214 IonicContact OE2-NE 3.53Å; E168-R214 PolarHBondContact OE2-NE 2.94Å; E168-R214 IonicContact OE2-NH2 2.9Å; E168-R214 PolarHBondContact OE2-NH2 3.31Å; A210-R214 WeakPolarHBondContact O-CG 3.15Å; A210-R214 PolarHBondContact O-N 3.1Å; A210-R214 VanDerWaalsContact O-N 3.16Å; A210-R214 PolarHBondContact O-NH1 3.15Å; V211-R214 PolarHBondContact O-N 2.77Å; V211-R214 VanDerWaalsContact O-N 3.17Å; D212-R214 PolarHBondContact O-N 3.07Å; R214-N217 PolarHBondContact O-N 3.06Å; R214-K218 WeakPolarHBondContact O-CB 3.29Å; R214-K218 VanDerWaalsContact O-CG 3.27Å; R214-K218 WeakPolarHBondContact O-CG 3.41Å; R214-K218 PolarHBondContact O-N 3.38Å; R214-I230 HydrophobicContact CG-CD1 3.97Å; R214-I230 HydrophobicContact CG-CG2 4.23Å |
| 215 | K | 93 | Very high | 93 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.9 | -72.6 | 174.5 | 179 | 157 | 0 | 110.6 | N29 F127 E130 Y166 E168 V211 D212 N217 K218 M219 | N29-K215 WeakPolarHBondContact ND2-CE 3.31Å; N29-K215 PolarHBondContact ND2-NZ 3.18Å; F127-K215 HydrophobicContact CE1-CB 3.62Å; F127-K215 HydrophobicContact CE1-CD 4.33Å; F127-K215 HydrophobicContact CE1-CG 4.47Å; F127-K215 HydrophobicContact CZ-CB 3.83Å; E130-K215 IonicContact OE1-NZ 3.65Å; E130-K215 PolarHBondContact OE1-NZ 2.62Å; E130-K215 IonicContact OE2-NZ 2.61Å; E130-K215 PolarHBondContact OE2-NZ 2.52Å; Y166-K215 HydrophobicContact CD2-CB 4.43Å; E168-K215 HydrophobicContact CB-CG 4.06Å; E168-K215 HydrophobicContact CG-CG 3.85Å; V211-K215 HydrophobicContact CG1-CD 4.08Å; V211-K215 HydrophobicContact CG1-CG 4.22Å; V211-K215 WeakPolarHBondContact O-CB 3.42Å; V211-K215 WeakPolarHBondContact O-CG 3.07Å; V211-K215 PolarHBondContact O-N 2.86Å; D212-K215 WeakPolarHBondContact O-CB 3.44Å; D212-K215 PolarHBondContact O-N 3.43Å; K215-N217 PolarHBondContact O-N 3.21Å; K215-K218 PolarHBondContact O-N 3.23Å; K215-M219 VanDerWaalsContact O-CB 3.31Å; K215-M219 WeakPolarHBondContact O-CB 3.39Å; K215-M219 PolarHBondContact O-N 2.8Å |
| 216 | I | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -48.8 | 177.6 | -63.3 | 160.6 | 0 | 0 | 0 | 110.6 | Y66 T70 V72 M122 V125 F127 F208 D212 L213 K218 M219 Y220 | Y66-I216 HydrophobicContact CE1-CD1 4.11Å; T70-I216 HydrophobicContact CG2-CB 4.25Å; T70-I216 HydrophobicContact CG2-CD1 4.42Å; T70-I216 HydrophobicContact CG2-CG2 3.75Å; V72-I216 HydrophobicContact CG2-CG2 3.93Å; M122-I216 HydrophobicContact CE-CD1 4.18Å; M122-I216 HydrophobicContact CE-CG1 4.25Å; M122-I216 HydrophobicContact CG-CD1 4.4Å; M122-I216 HydrophobicContact SD-CD1 4.24Å; V125-I216 HydrophobicContact CG1-CG1 4.33Å; V125-I216 HydrophobicContact CG1-CG2 4.19Å; F127-I216 HydrophobicContact CD2-CG1 4.15Å; F127-I216 HydrophobicContact CE2-CB 4.25Å; F127-I216 HydrophobicContact CE2-CG1 3.47Å; F127-I216 VanDerWaalsContact CE2-CG1 3.47Å; F127-I216 HydrophobicContact CZ-CG1 4.03Å; F208-I216 HydrophobicContact CD1-CD1 4.14Å; F208-I216 HydrophobicContact CE1-CD1 3.88Å; D212-I216 VanDerWaalsContact O-CG1 3.31Å; D212-I216 WeakPolarHBondContact O-CG1 3.42Å; D212-I216 PolarHBondContact O-N 3.14Å; L213-I216 PolarHBondContact O-N 2.61Å; I216-K218 PolarHBondContact O-N 2.67Å; I216-M219 WeakPolarHBondContact O-CB 3.45Å; I216-M219 PolarHBondContact O-N 2.75Å; I216-M219 VanDerWaalsContact O-N 3.15Å; I216-Y220 HydrophobicContact CG2-CD2 4.21Å; I216-Y220 PolarHBondContact O-N 3.37Å |
| 217 | N | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -35.1 | -176.1 | -73.6 | -33 | 0 | 0 | 0 | 113.1 | R69 T70 L213 R214 K215 N221 C222 I230 | R69-N217 PolarHBondContact O-ND2 3.16Å; R69-N217 VanDerWaalsContact O-ND2 3.16Å; T70-N217 WeakPolarHBondContact CA-OD1 3.38Å; T70-N217 VanDerWaalsContact CB-OD1 3.31Å; T70-N217 WeakPolarHBondContact CB-OD1 3.41Å; L213-N217 VanDerWaalsContact O-CB 3.23Å; L213-N217 WeakPolarHBondContact O-CB 3.44Å; L213-N217 PolarHBondContact O-N 3.05Å; L213-N217 PolarHBondContact O-ND2 3.48Å; L213-N217 VanDerWaalsContact O-ND2 3.07Å; R214-N217 PolarHBondContact O-N 3.06Å; K215-N217 PolarHBondContact O-N 3.21Å; N217-N221 WeakPolarHBondContact O-CA 3.43Å; N217-N221 PolarHBondContact O-N 3.24Å; N217-N221 VanDerWaalsContact O-N 3.13Å; N217-C222 HydrophobicContact CB-CB 3.95Å; N217-C222 PolarHBondContact O-N 3.39Å; N217-C222 WeakPolarHBondContact OD1-CB 3.09Å; N217-C222 PolarHBondContact OD1-SG 2.81Å; N217-I230 WeakPolarHBondContact ND2-CD1 3.4Å |
| 218 | K | 91.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 49.3 Ų | 49.3 | 32% | 0.322 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.6 | -39.6 | 170.9 | -74.2 | 176.3 | 175.1 | 176.3 | 0 | 111.8 | Y166 E168 R214 K215 I216 Y220 N221 | Y166-K218 HydrophobicContact CD1-CB 3.95Å; Y166-K218 HydrophobicContact CG-CB 4.09Å; Y166-K218 WeakPolarHBondContact O-CD 3.44Å; Y166-K218 PolarHBondContact O-NZ 3.33Å; E168-K218 WeakPolarHBondContact OE1-CE 3.34Å; E168-K218 IonicContact OE1-NZ 3.64Å; E168-K218 PolarHBondContact OE1-NZ 2.91Å; R214-K218 WeakPolarHBondContact O-CB 3.29Å; R214-K218 VanDerWaalsContact O-CG 3.27Å; R214-K218 WeakPolarHBondContact O-CG 3.41Å; R214-K218 PolarHBondContact O-N 3.38Å; K215-K218 PolarHBondContact O-N 3.23Å; I216-K218 PolarHBondContact O-N 2.67Å; K218-Y220 PolarHBondContact O-N 2.87Å; K218-N221 PolarHBondContact O-N 2.83Å; K218-N221 PolarHBondContact O-OD1 3.17Å |
| 219 | M | 91.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 179.5 | 180 | 158.5 | 87.1 | 0 | 0 | 113 | V31 K37 V125 F127 Y166 K215 I216 | V31-M219 HydrophobicContact CG2-CE 4.19Å; V31-M219 HydrophobicContact CG2-SD 3.72Å; K37-M219 HydrophobicContact CD-CG 4.28Å; K37-M219 PolarHBondContact NZ-O 2.94Å; V125-M219 HydrophobicContact CG1-CE 3.91Å; V125-M219 WeakPolarHBondContact O-CE 3.46Å; F127-M219 HydrophobicContact CD2-CE 4.02Å; F127-M219 HydrophobicContact CE2-CE 3.31Å; F127-M219 HydrophobicContact CE2-SD 4.01Å; F127-M219 HydrophobicContact CZ-CB 4.26Å; F127-M219 HydrophobicContact CZ-CE 3.77Å; F127-M219 HydrophobicContact CZ-SD 3.85Å; Y166-M219 HydrophobicContact CD1-CB 4.49Å; Y166-M219 HydrophobicContact CD2-CB 4.48Å; Y166-M219 VanDerWaalsContact CE1-CA 3.49Å; Y166-M219 HydrophobicContact CE1-CB 3.84Å; Y166-M219 HydrophobicContact CE1-CG 4.26Å; Y166-M219 HydrophobicContact CE2-CB 3.8Å; Y166-M219 HydrophobicContact CE2-CG 4.16Å; Y166-M219 HydrophobicContact CE2-SD 3.99Å; Y166-M219 VanDerWaalsContact CZ-CB 3.45Å; Y166-M219 WeakPolarHBondContact OH-CG 3.5Å; Y166-M219 PolarHBondContact OH-SD 2.93Å; K215-M219 VanDerWaalsContact O-CB 3.31Å; K215-M219 WeakPolarHBondContact O-CB 3.39Å; K215-M219 PolarHBondContact O-N 2.8Å; I216-M219 WeakPolarHBondContact O-CB 3.45Å; I216-M219 PolarHBondContact O-N 2.75Å; I216-M219 VanDerWaalsContact O-N 3.15Å |
| 220 | Y | 93.3 | Very high | 87.4 | Confident | 9 Ų | 9 | 51 Ų | 51 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 10.1 | -178 | -75.9 | -79 | 0 | 0 | 0 | 114 | K37 W38 N41 V72 V125 I216 K218 C222 | K37-Y220 HydrophobicContact CB-CE1 4.43Å; W38-Y220 HydrophobicContact CB-CE1 4.46Å; N41-Y220 HydrophobicContact CB-CD1 3.96Å; N41-Y220 PolarHBondContact ND2-O 2.96Å; N41-Y220 VanDerWaalsContact OD1-CD1 3.25Å; N41-Y220 WeakPolarHBondContact OD1-CD1 3.49Å; V72-Y220 HydrophobicContact CG2-CD1 4.43Å; V72-Y220 HydrophobicContact CG2-CD2 3.49Å; V72-Y220 VanDerWaalsContact CG2-CD2 3.49Å; V72-Y220 HydrophobicContact CG2-CE2 3.73Å; V72-Y220 HydrophobicContact CG2-CG 3.87Å; V125-Y220 HydrophobicContact CG1-CD2 4.44Å; V125-Y220 HydrophobicContact CG1-CE2 3.62Å; V125-Y220 PolarHBondContact O-OH 2.7Å; I216-Y220 HydrophobicContact CG2-CD2 4.21Å; I216-Y220 PolarHBondContact O-N 3.37Å; K218-Y220 PolarHBondContact O-N 2.87Å; Y220-C222 PolarHBondContact O-N 2.78Å |
| 221 | N | 92.8 | Very high | 85.6 | Confident | 143 Ų | 143 | 51.5 Ų | 51.5 | 77% | 0.765 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 45 | -178.5 | -62.1 | -40.7 | 0 | 0 | 0 | 112.8 | N217 K218 | N217-N221 WeakPolarHBondContact O-CA 3.43Å; N217-N221 PolarHBondContact O-N 3.24Å; N217-N221 VanDerWaalsContact O-N 3.13Å; K218-N221 PolarHBondContact O-N 2.83Å; K218-N221 PolarHBondContact O-OD1 3.17Å |
| 222 | C | 94.7 | Very high | 83.6 | Confident | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -64 | 148.4 | -178.4 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | C71 N217 Y220 Y226 | C71-C222 HydrophobicContact CB-CB 3.59Å; C71-C222 WeakPolarHBondContact CB-SG 3.45Å; C71-C222 PolarHBondContact N-SG 2.66Å; C71-C222 WeakPolarHBondContact SG-CA 3.44Å; C71-C222 WeakPolarHBondContact SG-CB 3.06Å; C71-C222 CovalentContact SG-SG 2.02Å; C71-C222 PolarHBondContact SG-SG 3.38Å; N217-C222 HydrophobicContact CB-CB 3.95Å; N217-C222 PolarHBondContact O-N 3.39Å; N217-C222 WeakPolarHBondContact OD1-CB 3.09Å; N217-C222 PolarHBondContact OD1-SG 2.81Å; Y220-C222 PolarHBondContact O-N 2.78Å; C222-Y226 HydrophobicContact CB-CD2 4.01Å | ||
| 223 | P | 92.9 | Very high | 81.4 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | trans | -54.6 | 149.6 | 178.4 | -27.7 | 34.8 | 0 | 0 | 0 | 113.2 | Y225 Y226 | P223-Y225 PolarHBondContact O-N 2.91Å; P223-Y226 PolarHBondContact O-N 3.47Å; P223-Y226 VanDerWaalsContact O-N 3.07Å | ||
| 224 | P | 84.4 | Confident | 78.5 | Confident | 95 Ų | 95 | 62.8 Ų | 62.8 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.8 | -26 | -176.7 | -28.4 | 35.2 | 0 | 0 | 0 | 115.5 | Y226 Q227 Y228 | P224-Y226 PolarHBondContact O-N 3.22Å; P224-Q227 WeakPolarHBondContact O-CB 3.31Å; P224-Q227 PolarHBondContact O-N 2.84Å; P224-Y228 PolarHBondContact O-N 3.43Å; P224-Y228 VanDerWaalsContact O-N 3.1Å |
| 225 | Y | 86.1 | Confident | 75.9 | Confident | 150 Ų | 150 | 61.1 Ų | 61.1 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -49 | -43 | 174.1 | 169.3 | -107.2 | 0 | 0 | 0 | 112.7 | P223 Q227 Y228 M229 | P223-Y225 PolarHBondContact O-N 2.91Å; Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 PolarHBondContact O-N 2.9Å; Y225-Y228 PolarHBondContact O-N 3.48Å; Y225-M229 HydrophobicContact CD1-CE 3.85Å; Y225-M229 HydrophobicContact CE1-CE 3.29Å; Y225-M229 HydrophobicContact CE1-SD 3.73Å; Y225-M229 HydrophobicContact CE2-CG 4.2Å; Y225-M229 HydrophobicContact CE2-SD 4.05Å; Y225-M229 PolarHBondContact O-N 3.43Å; Y225-M229 PolarHBondContact OH-SD 3.41Å |
| 226 | Y | 82.5 | Confident | 73.1 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.3 | -31.7 | 179.2 | -71.1 | -69.9 | 0 | 0 | 0 | 113.1 | R69 T70 C71 R73 C222 P223 P224 M229 I230 | R69-Y226 WeakPolarHBondContact O-CD1 3.16Å; T70-Y226 VanDerWaalsContact O-CE1 3.24Å; T70-Y226 WeakPolarHBondContact O-CE1 3.25Å; T70-Y226 PolarHBondContact O-OH 3.44Å; C71-Y226 HydrophobicContact CB-CD2 4.41Å; C71-Y226 HydrophobicContact CB-CE2 4.04Å; R73-Y226 PolarHBondContact NH2-OH 3.32Å; C222-Y226 HydrophobicContact CB-CD2 4.01Å; P223-Y226 PolarHBondContact O-N 3.47Å; P223-Y226 VanDerWaalsContact O-N 3.07Å; P224-Y226 PolarHBondContact O-N 3.22Å; Y226-M229 HydrophobicContact CD1-CE 3.48Å; Y226-M229 VanDerWaalsContact CD1-CE 3.48Å; Y226-M229 HydrophobicContact CE1-CE 3.86Å; Y226-M229 HydrophobicContact CG-CE 4.39Å; Y226-I230 WeakPolarHBondContact O-CD1 3.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å |
| 227 | Q | 72.5 | Confident | 70.6 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.4 | -59.7 | 179.7 | 0.7 | 0 | 0 | 111.2 | P224 Y225 I230 G231 | P224-Q227 WeakPolarHBondContact O-CB 3.31Å; P224-Q227 PolarHBondContact O-N 2.84Å; Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 PolarHBondContact O-N 2.9Å; Q227-I230 PolarHBondContact O-N 3.45Å; Q227-G231 PolarHBondContact O-N 3.41Å |
| 228 | Y | 62.5 | Low | 68 | Low | 170 Ų | 170 | 75.3 Ų | 75.3 | 67% | 0.667 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 179.8 | -126.1 | -83.9 | 0 | 0 | 0 | 112.7 | P224 Y225 I230 G231 N232 | P224-Y228 PolarHBondContact O-N 3.43Å; P224-Y228 VanDerWaalsContact O-N 3.1Å; Y225-Y228 PolarHBondContact O-N 3.48Å; Y228-I230 VanDerWaalsContact C-N 3.31Å; Y228-I230 PolarHBondContact O-N 2.81Å; Y228-G231 PolarHBondContact O-N 2.85Å; Y228-N232 PolarHBondContact O-N 3.17Å; Y228-N232 VanDerWaalsContact O-N 3.13Å |
| 229 | M | 65.8 | Low | 65.3 | Low | 57 Ų | 57 | 78.6 Ų | 78.6 | 28% | 0.281 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 177.2 | -70.4 | -164.2 | -67.7 | 0 | 0 | 112.5 | D68 Y225 Y226 G231 T233 | D68-M229 WeakPolarHBondContact O-CE 2.91Å; Y225-M229 HydrophobicContact CD1-CE 3.85Å; Y225-M229 HydrophobicContact CE1-CE 3.29Å; Y225-M229 HydrophobicContact CE1-SD 3.73Å; Y225-M229 HydrophobicContact CE2-CG 4.2Å; Y225-M229 HydrophobicContact CE2-SD 4.05Å; Y225-M229 PolarHBondContact O-N 3.43Å; Y225-M229 PolarHBondContact OH-SD 3.41Å; Y226-M229 HydrophobicContact CD1-CE 3.48Å; Y226-M229 VanDerWaalsContact CD1-CE 3.48Å; Y226-M229 HydrophobicContact CE1-CE 3.86Å; Y226-M229 HydrophobicContact CG-CE 4.39Å; M229-G231 VanDerWaalsContact C-N 3.35Å; M229-T233 WeakPolarHBondContact O-CG2 3.36Å; M229-T233 PolarHBondContact O-N 3.17Å; M229-T233 PolarHBondContact O-OG1 2.86Å |
| 230 | I | 72.3 | Confident | 62.7 | Low | 12 Ų | 12 | 88.5 Ų | 88.5 | 6% | 0.062 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 178.5 | -60.6 | 161.5 | 0 | 0 | 0 | 111.1 | A210 L213 R214 N217 Y226 Q227 Y228 T233 | A210-I230 HydrophobicContact CB-CG2 3.62Å; A210-I230 WeakPolarHBondContact O-CG2 3.26Å; L213-I230 HydrophobicContact CB-CD1 3.42Å; L213-I230 VanDerWaalsContact CB-CD1 3.42Å; L213-I230 HydrophobicContact CB-CG1 3.82Å; L213-I230 HydrophobicContact CD1-CG1 4.01Å; R214-I230 HydrophobicContact CG-CD1 3.97Å; R214-I230 HydrophobicContact CG-CG2 4.23Å; N217-I230 WeakPolarHBondContact ND2-CD1 3.4Å; Y226-I230 WeakPolarHBondContact O-CD1 3.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.38Å; Q227-I230 PolarHBondContact O-N 3.45Å; Y228-I230 VanDerWaalsContact C-N 3.31Å; Y228-I230 PolarHBondContact O-N 2.81Å; I230-T233 PolarHBondContact O-OG1 3.09Å |
| 231 | G | 56.7 | Low | 59.9 | Low | 58 Ų | 58 | 92 Ų | 92 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.1 | -34.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q227 Y228 M229 | Q227-G231 PolarHBondContact O-N 3.41Å; Y228-G231 PolarHBondContact O-N 2.85Å; M229-G231 VanDerWaalsContact C-N 3.35Å |
| 232 | N | 49.8 | Very low | 57.1 | Low | 130 Ų | 130 | 90.7 Ų | 90.7 | 70% | 0.695 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -83.2 | -14.4 | -178 | -87.5 | -11.7 | 0 | 0 | 0 | 114.3 | Y228 G234 | Y228-N232 PolarHBondContact O-N 3.17Å; Y228-N232 VanDerWaalsContact O-N 3.13Å; N232-G234 PolarHBondContact O-N 3.19Å |
| 233 | T | 49.4 | Very low | 54.3 | Low | 72 Ų | 72 | 96.4 Ų | 96.4 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 24.4 | 174.1 | 50.5 | 0 | 0 | 0 | 0 | 114 | M229 I230 G235 G236 | M229-T233 WeakPolarHBondContact O-CG2 3.36Å; M229-T233 PolarHBondContact O-N 3.17Å; M229-T233 PolarHBondContact O-OG1 2.86Å; I230-T233 PolarHBondContact O-OG1 3.09Å; T233-G235 PolarHBondContact O-N 2.86Å; T233-G236 PolarHBondContact O-N 3.22Å |
| 234 | G | 36.3 | Very low | 51.5 | Low | 67 Ų | 67 | 99.7 Ų | 99.7 | 69% | 0.691 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.8 | 106.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N232 G236 | N232-G234 PolarHBondContact O-N 3.19Å; G234-G236 PolarHBondContact O-N 3.16Å |
| 235 | G | 38.4 | Very low | 49.2 | Very low | 40 Ų | 40 | 100.9 Ų | 100.9 | 41% | 0.412 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.6 | -10.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | T233 W237 L238 | T233-G235 PolarHBondContact O-N 2.86Å; G235-W237 VanDerWaalsContact C-N 3.31Å; G235-W237 PolarHBondContact O-N 3.07Å; G235-L238 PolarHBondContact O-N 3.19Å |
| 236 | G | 33.1 | Very low | 46.8 | Very low | 49 Ų | 49 | 97.3 Ų | 97.3 | 51% | 0.505 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -28.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T233 G234 | T233-G236 PolarHBondContact O-N 3.22Å; G234-G236 PolarHBondContact O-N 3.16Å |
| 237 | W | 41.8 | Very low | 44.4 | Very low | 167 Ų | 167 | 105.2 Ų | 105.2 | 63% | 0.633 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -21.5 | 178.8 | -64.6 | 95.8 | 0 | 0 | 0 | 113.5 | G235 N239 | G235-W237 VanDerWaalsContact C-N 3.31Å; G235-W237 PolarHBondContact O-N 3.07Å; W237-N239 VanDerWaalsContact C-N 3.27Å; W237-N239 PolarHBondContact O-N 3.15Å |
| 238 | L | 39.2 | Very low | 42.6 | Very low | 83 Ų | 83 | 105.8 Ų | 105.8 | 44% | 0.435 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -73.3 | -18.1 | 176.3 | -74 | 165.4 | 0 | 0 | 0 | 112.6 | F173 G235 R240 | F173-L238 HydrophobicContact CD1-CD2 3.75Å; F173-L238 HydrophobicContact CE1-CD2 4.15Å; F173-L238 HydrophobicContact CG-CD2 4.41Å; G235-L238 PolarHBondContact O-N 3.19Å; L238-R240 PolarHBondContact O-N 3.28Å; L238-R240 VanDerWaalsContact O-N 3.13Å |
| 239 | N | 35.9 | Very low | 41.5 | Very low | 143 Ų | 143 | 104.1 Ų | 104.1 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -80.6 | 17.3 | -179 | -71.6 | -13.9 | 0 | 0 | 0 | 114.5 | W237 | W237-N239 VanDerWaalsContact C-N 3.27Å; W237-N239 PolarHBondContact O-N 3.15Å |
| 240 | R | 36.6 | Very low | 40 | Very low | 209 Ų | 209 | 107.6 Ų | 107.6 | 79% | 0.789 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -116.6 | 25.9 | 175.8 | -123.7 | -173.9 | -77.8 | -126.5 | 3.4 | 113.4 | L238 | L238-R240 PolarHBondContact O-N 3.28Å; L238-R240 VanDerWaalsContact O-N 3.13Å |
| 241 | L | 35.2 | Very low | 38 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 44% | 0.44 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -67.7 | 134 | 165.1 | -70.3 | 168.1 | 0 | 0 | 0 | 109.4 | I201 T243 | I201-L241 HydrophobicContact CD1-CD1 4.44Å; L241-T243 PolarHBondContact O-N 3.38Å; L241-T243 VanDerWaalsContact O-N 3.14Å |
| 242 | P | 32.6 | Very low | 37.1 | Very low | 114 Ų | 114 | 114.9 Ų | 114.9 | 74% | 0.74 | 68% | 0.684 | S | S | * | * | trans | -67 | 115.3 | 174.7 | -4.6 | 18.9 | 0 | 0 | 0 | 108.5 | V244 | P242-V244 PolarHBondContact O-N 2.9Š| ||
| 243 | T | 37 | Very low | 36.2 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -62.4 | 104.7 | 164.6 | 37.2 | 0 | 0 | 0 | 0 | 108.5 | L241 T245 | L241-T243 PolarHBondContact O-N 3.38Å; L241-T243 VanDerWaalsContact O-N 3.14Å; T243-T245 VanDerWaalsContact C-N 3.28Å; T243-T245 PolarHBondContact O-N 3.09Å; T243-T245 VanDerWaalsContact O-N 3.07Å | ||
| 244 | V | 32.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -74.1 | 86.7 | 163.6 | 180 | 0 | 0 | 0 | 0 | 107.3 | P242 | P242-V244 PolarHBondContact O-N 2.9Š| ||
| 245 | T | 36.1 | Very low | 35.4 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | -146.4 | 124.3 | 160.5 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | T243 | T243-T245 VanDerWaalsContact C-N 3.28Å; T243-T245 PolarHBondContact O-N 3.09Å; T243-T245 VanDerWaalsContact O-N 3.07Å | ||
| 246 | G | 36 | Very low | 35.3 | Very low | 76 Ų | 76 | 128.7 Ų | 128.7 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | -61.2 | 144.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 247 | E | 33.5 | Very low | 35.4 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 91% | 0.907 | 75% | 0.748 | S | S | * | * | trans | 39.5 | 150.9 | 147.1 | -77.6 | -162.5 | 159.6 | 0 | 0 | 123.7 | ||||
| 248 | P | 34.7 | Very low | 35.1 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -111.6 | 146.2 | -138.8 | 38.3 | -28.5 | 0 | 0 | 0 | 113.4 | ||||
| 249 | T | 37.5 | Very low | 34.9 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -157.8 | 117.3 | 149.9 | 41.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 250 | V | 34.8 | Very low | 34.5 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 123.7 | 131.7 | -171.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 251 | S | 31.5 | Very low | 34.4 | Very low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -20.2 | 149.9 | 162.2 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 252 | T | 38 | Very low | 34.2 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | -165.9 | 150.9 | 61.2 | 32.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 253 | L | 30.3 | Very low | 34.2 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -49 | 145.3 | 171.9 | -73 | 91.9 | 0 | 0 | 0 | 115.1 | ||||
| 254 | R | 36 | Very low | 34.1 | Very low | 246 Ų | 246 | 129.4 Ų | 129.4 | 93% | 0.928 | 79% | 0.785 | S | S | * | * | -168.6 | 141.6 | 112.3 | -103.2 | 170.8 | -165.9 | -135.2 | 3.3 | 113.5 | |||||
| 255 | S | 32.2 | Very low | 34 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -65.5 | 147.3 | -177.8 | 46.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 256 | G | 36.9 | Very low | 34.1 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -178.8 | 126.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 257 | P | 34.4 | Very low | 33.9 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -78.1 | 150.8 | -174.5 | 34.7 | -32.4 | 0 | 0 | 0 | 109.2 | ||||
| 258 | N | 36.5 | Very low | 34.1 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 176.1 | 126.1 | 139.9 | -91.1 | -24.5 | 0 | 0 | 0 | 114.6 | ||||
| 259 | I | 34 | Very low | 34.2 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 72% | 0.718 | 79% | 0.793 | S | S | * | * | trans | 75.3 | 99.8 | 131.9 | -53.2 | 163.9 | 0 | 0 | 0 | 117 | ||||
| 260 | L | 28.4 | Very low | 33.9 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.4 | 155.4 | -83.6 | 141.9 | 0 | 0 | 0 | 110.8 | ||
| 261 | P | 33.7 | Very low | 34 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 133.1 | 154.6 | 17.7 | 0.3 | 0 | 0 | 0 | 111 | ||
| 262 | S | 32.6 | Very low | 34 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 138.6 | 175.3 | -28.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 263 | A | 32.3 | Very low | 33.9 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L265 | A263-L265 PolarHBondContact O-N 2.94Š|
| 264 | P | 35.1 | Very low | 34.1 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.4 | 176.4 | 27 | -25.5 | 0 | 0 | 0 | 110.8 | F266 | P264-F266 HydrophobicContact CB-CD2 4.44Å; P264-F266 HydrophobicContact CB-CE2 4.13Å; P264-F266 HydrophobicContact CG-CE2 4.41Å |
| 265 | L | 30.3 | Very low | 34.2 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.5 | 158.8 | -80.7 | 141.9 | 0 | 0 | 0 | 109.4 | A263 | A263-L265 PolarHBondContact O-N 2.94Š|
| 266 | F | 37.7 | Very low | 34.8 | Very low | 188 Ų | 188 | 135 Ų | 135 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -122.4 | 113.2 | 159.7 | -80.8 | -78.9 | 0 | 0 | 0 | 109.5 | P264 | P264-F266 HydrophobicContact CB-CD2 4.44Å; P264-F266 HydrophobicContact CB-CE2 4.13Å; P264-F266 HydrophobicContact CG-CE2 4.41Å | ||
| 267 | P | 32 | Very low | 35.9 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | trans | -91.1 | 169.4 | 161.8 | 35.6 | -27.8 | 0 | 0 | 0 | 111.1 | ||||
| 268 | P | 38.1 | Very low | 37.5 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -96.3 | 150.1 | -145.3 | 36.7 | -34 | 0 | 0 | 0 | 114.5 | ||||
| 269 | R | 36.3 | Very low | 39.8 | Very low | 251 Ų | 251 | 132.9 Ų | 132.9 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | trans | -149.7 | 127.2 | 158.3 | -74.9 | -173.7 | -178.1 | -176.8 | -1 | 106.2 | ||||
| 270 | G | 31.5 | Very low | 42.3 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 88.4 | 87.3 | 44.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 271 | N | 36.2 | Very low | 44.9 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | 178.2 | 122.3 | 140.1 | -91.8 | -1.7 | 0 | 0 | 0 | 110.8 | ||||
| 272 | D | 30.9 | Very low | 47.2 | Very low | 143 Ų | 143 | 126.1 Ų | 126.1 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | 0.3 | 119.1 | 152.1 | -66.1 | -46.9 | 0 | 0 | 0 | 117.7 | ||||
| 273 | L | 37.3 | Very low | 49.1 | Very low | 168 Ų | 168 | 121.6 Ų | 121.6 | 88% | 0.88 | 68% | 0.682 | S | S | * | * | trans | -144.1 | 119.8 | 132.3 | -97.2 | 143.7 | 0 | 0 | 0 | 106.1 | A275 | L273-A275 PolarHBondContact O-N 3.27Š| ||
| 274 | H | 34.1 | Very low | 51.1 | Low | 187 Ų | 187 | 123.3 Ų | 123.3 | 87% | 0.866 | 68% | 0.683 | S | S | * | * | trans | -52.7 | 82.9 | 167.2 | -87.4 | -94.7 | 0 | 0 | 0 | 110.1 | V276 | H274-V276 VanDerWaalsContact C-N 3.33Å; H274-V276 PolarHBondContact O-N 2.87Å; H274-V276 VanDerWaalsContact O-N 3.1Å | ||
| 275 | A | 38.5 | Very low | 53 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -75.5 | 96.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | L273 S277 | L273-A275 PolarHBondContact O-N 3.27Å; A275-S277 PolarHBondContact O-N 3.08Å | ||
| 276 | V | 44.2 | Very low | 55.1 | Low | 123 Ų | 123 | 115.4 Ų | 115.4 | 75% | 0.745 | 63% | 0.633 | S | S | * | * | trans | -41.6 | 114.7 | 161.2 | 176 | 0 | 0 | 0 | 0 | 105.9 | H274 I278 | H274-V276 VanDerWaalsContact C-N 3.33Å; H274-V276 PolarHBondContact O-N 2.87Å; H274-V276 VanDerWaalsContact O-N 3.1Å; V276-I278 VanDerWaalsContact C-N 3.26Å; V276-I278 PolarHBondContact O-N 3.17Å | ||
| 277 | S | 59.9 | Low | 57.1 | Low | 106 Ų | 106 | 114.7 Ų | 114.7 | 74% | 0.741 | 63% | 0.625 | S | S | * | * | trans | -63.4 | 97.7 | 177.3 | 59.4 | 0 | 0 | 0 | 0 | 106.3 | A275 C279 | A275-S277 PolarHBondContact O-N 3.08Å; S277-C279 PolarHBondContact O-N 3.42Å | ||
| 278 | I | 69 | Low | 58.9 | Low | 127 Ų | 127 | 111.3 Ų | 111.3 | 65% | 0.651 | 60% | 0.601 | S | S | * | * | trans | -58.3 | 113.2 | 178.5 | -66.9 | 172.7 | 0 | 0 | 0 | 105.8 | V276 E280 | V276-I278 VanDerWaalsContact C-N 3.26Å; V276-I278 PolarHBondContact O-N 3.17Å; I278-E280 HydrophobicContact CG2-CB 4.2Å; I278-E280 HydrophobicContact CG2-CG 3.55Å; I278-E280 WeakPolarHBondContact CG2-OE1 3.31Å; I278-E280 PolarHBondContact O-N 3.42Å | ||
| 279 | C | 84.5 | Confident | 60.3 | Low | 46 Ų | 46 | 106.8 Ų | 106.8 | 31% | 0.311 | 57% | 0.569 | S | S | . | * | trans | -83.4 | 90.8 | -176.4 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | S277 C313 | S277-C279 PolarHBondContact O-N 3.42Å; C279-C313 HydrophobicContact CB-CB 3.5Å; C279-C313 VanDerWaalsContact CB-CB 3.5Å; C279-C313 WeakPolarHBondContact CB-SG 3.49Å; C279-C313 PolarHBondContact O-SG 3.23Å; C279-C313 WeakPolarHBondContact SG-CA 3.36Å; C279-C313 WeakPolarHBondContact SG-CB 3.5Å; C279-C313 CovalentContact SG-SG 2Å; C279-C313 PolarHBondContact SG-SG 3.31Å | ||
| 280 | E | 86.6 | Confident | 62.5 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | trans | -127.4 | 153.4 | -177.1 | -84.2 | 178.3 | -178.4 | 0 | 0 | 111.8 | I278 K282 P307 K308 | I278-E280 HydrophobicContact CG2-CB 4.2Å; I278-E280 HydrophobicContact CG2-CG 3.55Å; I278-E280 WeakPolarHBondContact CG2-OE1 3.31Å; I278-E280 PolarHBondContact O-N 3.42Å; E280-K282 PolarHBondContact O-N 3.44Å; E280-P307 WeakPolarHBondContact O-CD 3.37Å; E280-P307 VanDerWaalsContact O-CG 3.22Å; E280-P307 WeakPolarHBondContact O-CG 3.45Å; E280-K308 HydrophobicContact CG-CD 4.24Å | ||
| 281 | D | 83.4 | Confident | 65 | Low | 51 Ų | 51 | 101.5 Ų | 101.5 | 27% | 0.273 | 54% | 0.543 | S | S | . | . | trans | -71.1 | 123.9 | 173.9 | -66.4 | -29.6 | 0 | 0 | 0 | 110 | L305 C306 K308 S309 | D281-L305 CarbonylContact C-O 3.48Å; D281-L305 WeakPolarHBondContact CA-O 3.42Å; D281-C306 WeakPolarHBondContact OD1-CA 3.03Å; D281-K308 WeakPolarHBondContact OD1-CA 3.5Å; D281-K308 WeakPolarHBondContact OD1-CB 3.31Å; D281-K308 PolarHBondContact OD1-N 2.86Å; D281-S309 VanDerWaalsContact CG-N 3.33Å; D281-S309 PolarHBondContact OD1-N 3.13Å; D281-S309 WeakPolarHBondContact OD2-CB 3.21Å; D281-S309 PolarHBondContact OD2-N 3.3Å; D281-S309 PolarHBondContact OD2-OG 3.35Å | ||
| 282 | K | 80.3 | Confident | 67.1 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -84.8 | -19.7 | 174.6 | -55.5 | -171.9 | -178.2 | -174.4 | 0 | 112.7 | E280 Y304 L305 | E280-K282 PolarHBondContact O-N 3.44Å; K282-Y304 HydrophobicContact CD-CE1 4.22Å; K282-Y304 WeakPolarHBondContact CD-O 3.43Å; K282-Y304 VanDerWaalsContact NZ-CE2 3.34Å; K282-L305 PolarHBondContact N-O 2.9Å |
| 283 | A | 74.2 | Confident | 69.7 | Low | 22 Ų | 22 | 92.8 Ų | 92.8 | 18% | 0.182 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -99.7 | 132.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q285 C286 L305 | A283-Q285 PolarHBondContact O-N 3.18Å; A283-C286 PolarHBondContact O-SG 3.25Å; A283-L305 HydrophobicContact CB-CB 4.23Å; A283-L305 PolarHBondContact N-O 3.25Å; A283-L305 VanDerWaalsContact N-O 3.07Å |
| 284 | T | 72.8 | Confident | 72 | Confident | 125 Ų | 125 | 95.5 Ų | 95.5 | 77% | 0.767 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.9 | -178.8 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | ||
| 285 | Q | 74.6 | Confident | 74.2 | Confident | 103 Ų | 103 | 87.8 Ų | 87.8 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 30.7 | -172.8 | -70 | -174.8 | -14.9 | 0 | 0 | 113.2 | A283 W287 L288 | A283-Q285 PolarHBondContact O-N 3.18Å; Q285-W287 PolarHBondContact O-N 3.26Å; Q285-L288 HydrophobicContact CB-CD1 4.04Å; Q285-L288 HydrophobicContact CG-CD1 4.31Å; Q285-L288 WeakPolarHBondContact O-CB 3.42Å; Q285-L288 PolarHBondContact O-N 2.94Å |
| 286 | C | 75.4 | Confident | 75.9 | Confident | 3 Ų | 3 | 91.8 Ų | 91.8 | 2% | 0.02 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -55.6 | -34 | -179.6 | -70.8 | 0 | 0 | 0 | 0 | 114 | A283 L288 I289 I290 C306 S309 | A283-C286 PolarHBondContact O-SG 3.25Å; C286-L288 PolarHBondContact O-N 2.92Å; C286-I289 CarbonylContact O-C 3.58Å; C286-I289 PolarHBondContact O-N 2.97Å; C286-I290 PolarHBondContact O-N 3.13Å; C286-C306 WeakPolarHBondContact CA-SG 3.5Å; C286-C306 HydrophobicContact CB-CB 3.66Å; C286-C306 WeakPolarHBondContact CB-SG 3.36Å; C286-C306 WeakPolarHBondContact SG-CA 3.44Å; C286-C306 WeakPolarHBondContact SG-CB 3.23Å; C286-C306 CovalentContact SG-SG 2.02Å; C286-C306 PolarHBondContact SG-SG 3.37Å; C286-S309 VanDerWaalsContact CB-CB 3.46Å; C286-S309 WeakPolarHBondContact CB-OG 3.14Å |
| 287 | W | 80.5 | Confident | 76.9 | Confident | 174 Ų | 174 | 95 Ų | 95 | 66% | 0.659 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -57.3 | -30.5 | 176.3 | 65.4 | -91 | 0 | 0 | 0 | 113.5 | Q285 I289 | Q285-W287 PolarHBondContact O-N 3.26Å; W287-I289 VanDerWaalsContact C-N 3.32Å; W287-I289 PolarHBondContact O-N 2.97Å |
| 288 | L | 68.5 | Low | 77.5 | Confident | 39 Ų | 39 | 93.3 Ų | 93.3 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -66.3 | -36.1 | 176.3 | -74.4 | 174.8 | 0 | 0 | 0 | 111.2 | V23 R24 Q285 C286 | V23-L288 HydrophobicContact CG1-CD1 4.41Å; R24-L288 PolarHBondContact NH1-O 3.2Å; R24-L288 PolarHBondContact NH2-O 2.52Å; Q285-L288 HydrophobicContact CB-CD1 4.04Å; Q285-L288 HydrophobicContact CG-CD1 4.31Å; Q285-L288 WeakPolarHBondContact O-CB 3.42Å; Q285-L288 PolarHBondContact O-N 2.94Å; C286-L288 PolarHBondContact O-N 2.92Å |
| 289 | I | 68.7 | Low | 78.1 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 14% | 0.144 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -110.7 | 16.9 | -173.6 | 47.5 | 171.4 | 0 | 0 | 0 | 113.7 | R24 C286 W287 N291 R292 M302 | R24-I289 HydrophobicContact CB-CG2 4.21Å; R24-I289 VanDerWaalsContact CD-CG2 3.42Å; R24-I289 HydrophobicContact CG-CG2 3.41Å; R24-I289 VanDerWaalsContact CG-CG2 3.41Å; C286-I289 CarbonylContact O-C 3.58Å; C286-I289 PolarHBondContact O-N 2.97Å; W287-I289 VanDerWaalsContact C-N 3.32Å; W287-I289 PolarHBondContact O-N 2.97Å; I289-N291 PolarHBondContact O-N 3.4Å; I289-N291 VanDerWaalsContact O-N 3.12Å; I289-R292 HydrophobicContact CB-CG 4.4Å; I289-R292 VanDerWaalsContact O-CB 3.31Å; I289-R292 WeakPolarHBondContact O-CB 3.38Å; I289-R292 PolarHBondContact O-N 3.24Å; I289-M302 HydrophobicContact CB-CE 4.25Å; I289-M302 HydrophobicContact CB-SD 4.41Å; I289-M302 HydrophobicContact CD1-CE 4.03Å; I289-M302 HydrophobicContact CD1-SD 3.69Å; I289-M302 HydrophobicContact CG1-CE 3.91Å; I289-M302 HydrophobicContact CG1-SD 4.17Å; I289-M302 VanDerWaalsContact O-CE 3.25Å; I289-M302 WeakPolarHBondContact O-CE 3.41Å |
| 290 | I | 81.3 | Confident | 78 | Confident | 92 Ų | 92 | 96.8 Ų | 96.8 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -59.2 | -28.7 | -177.8 | -158.9 | 166.7 | 0 | 0 | 0 | 112.7 | C286 R292 C293 | C286-I290 PolarHBondContact O-N 3.13Å; I290-R292 PolarHBondContact O-N 3.35Å; I290-R292 VanDerWaalsContact O-N 3.16Å; I290-C293 PolarHBondContact O-N 3.04Å; I290-C293 PolarHBondContact O-SG 3.44Å |
| 291 | N | 83.6 | Confident | 77.4 | Confident | 114 Ų | 114 | 93.7 Ų | 93.7 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -69 | -8.7 | 174.2 | 68.3 | -24.1 | 0 | 0 | 0 | 114.2 | I289 | I289-N291 PolarHBondContact O-N 3.4Å; I289-N291 VanDerWaalsContact O-N 3.12Å |
| 292 | R | 81.5 | Confident | 77.4 | Confident | 108 Ų | 108 | 91.4 Ų | 91.4 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -96.1 | -4.2 | 177.9 | -58.7 | -61.1 | -173 | 170.9 | -1.4 | 113.5 | I289 I290 R294 S295 Y298 M302 | I289-R292 HydrophobicContact CB-CG 4.4Å; I289-R292 VanDerWaalsContact O-CB 3.31Å; I289-R292 WeakPolarHBondContact O-CB 3.38Å; I289-R292 PolarHBondContact O-N 3.24Å; I290-R292 PolarHBondContact O-N 3.35Å; I290-R292 VanDerWaalsContact O-N 3.16Å; R292-R294 PolarHBondContact O-N 2.9Å; R292-R294 VanDerWaalsContact O-N 3.13Å; R292-S295 VanDerWaalsContact O-CB 3.28Å; R292-S295 WeakPolarHBondContact O-CB 3.5Å; R292-S295 PolarHBondContact O-N 3.15Å; R292-Y298 HydrophobicContact CB-CD2 4.38Å; R292-Y298 HydrophobicContact CG-CD2 4.34Å; R292-M302 HydrophobicContact CB-CG 4.3Å; R292-M302 HydrophobicContact CB-SD 4.18Å |
| 293 | C | 84.6 | Confident | 77.8 | Confident | 11 Ų | 11 | 91.5 Ų | 91.5 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -45.1 | -176.8 | -65.8 | 0 | 0 | 0 | 0 | 112 | I290 C310 F312 | I290-C293 PolarHBondContact O-N 3.04Å; I290-C293 PolarHBondContact O-SG 3.44Å; C293-C310 VanDerWaalsContact CA-SG 3.55Å; C293-C310 HydrophobicContact CB-CB 3.54Å; C293-C310 WeakPolarHBondContact CB-SG 3.39Å; C293-C310 WeakPolarHBondContact SG-CA 3.44Å; C293-C310 WeakPolarHBondContact SG-CB 3.46Å; C293-C310 CovalentContact SG-SG 2.02Å; C293-C310 PolarHBondContact SG-SG 2.84Å; C293-F312 HydrophobicContact CB-CE2 4.47Å; C293-F312 HydrophobicContact CB-CZ 4.32Å; C293-F312 VanDerWaalsContact O-CZ 3.26Å; C293-F312 WeakPolarHBondContact O-CZ 3.49Å |
| 294 | R | 85 | Confident | 78.2 | Confident | 224 Ų | 224 | 95 Ų | 95 | 85% | 0.845 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 23.5 | -180 | -56.7 | -169.9 | -179.6 | -146.5 | 0.2 | 114.4 | R292 | R292-R294 PolarHBondContact O-N 2.9Å; R292-R294 VanDerWaalsContact O-N 3.13Å |
| 295 | S | 80.5 | Confident | 78.6 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 18% | 0.182 | 40% | 0.397 | C | S | . | . | trans | -77.8 | 127.2 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | R292 F297 Y298 E299 | R292-S295 VanDerWaalsContact O-CB 3.28Å; R292-S295 WeakPolarHBondContact O-CB 3.5Å; R292-S295 PolarHBondContact O-N 3.15Å; S295-F297 PolarHBondContact O-N 3.18Å; S295-Y298 PolarHBondContact O-N 3.39Å; S295-Y298 VanDerWaalsContact OG-CD2 3.32Å; S295-Y298 WeakPolarHBondContact OG-CD2 3.13Å; S295-E299 PolarHBondContact O-N 3.37Å | ||
| 296 | L | 75.9 | Confident | 79.1 | Confident | 175 Ų | 175 | 84.4 Ų | 84.4 | 92% | 0.916 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | -39.4 | 175.9 | -101.8 | 142 | 0 | 0 | 0 | 113.9 | ||
| 297 | F | 64.7 | Low | 79.9 | Confident | 189 Ų | 189 | 85 Ų | 85 | 83% | 0.829 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -21.3 | -179.4 | -71.3 | -83.3 | 0 | 0 | 0 | 115.5 | S295 | S295-F297 PolarHBondContact O-N 3.18Š|
| 298 | Y | 72.6 | Confident | 80.4 | Confident | 71 Ų | 71 | 82.4 Ų | 82.4 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -11.1 | -168.7 | -60.6 | -66.8 | 0 | 0 | 0 | 113.8 | L161 R292 S295 F300 L301 M302 | L161-Y298 HydrophobicContact CD2-CE1 4.45Å; R292-Y298 HydrophobicContact CB-CD2 4.38Å; R292-Y298 HydrophobicContact CG-CD2 4.34Å; S295-Y298 PolarHBondContact O-N 3.39Å; S295-Y298 VanDerWaalsContact OG-CD2 3.32Å; S295-Y298 WeakPolarHBondContact OG-CD2 3.13Å; Y298-F300 VanDerWaalsContact C-N 3.29Å; Y298-F300 PolarHBondContact O-N 2.82Å; Y298-L301 CarbonylContact O-C 3.36Å; Y298-L301 WeakPolarHBondContact O-CA 3.4Å; Y298-L301 WeakPolarHBondContact O-CB 3.45Å; Y298-L301 PolarHBondContact O-N 2.02Å; Y298-M302 WeakPolarHBondContact O-CG 3.33Å; Y298-M302 PolarHBondContact O-N 2.87Å |
| 299 | E | 82.1 | Confident | 81.4 | Confident | 68 Ų | 68 | 82.5 Ų | 82.5 | 32% | 0.318 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53 | -45.1 | -175.2 | -177.6 | 177 | 158.7 | 0 | 0 | 112.5 | S295 L301 M302 R303 F312 | S295-E299 PolarHBondContact O-N 3.37Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.1Å; E299-M302 PolarHBondContact O-N 2.9Å; E299-M302 VanDerWaalsContact O-N 3.14Å; E299-R303 HydrophobicContact CG-CG 4.35Å; E299-R303 WeakPolarHBondContact O-CB 3.25Å; E299-R303 WeakPolarHBondContact O-CG 3.27Å; E299-R303 PolarHBondContact O-N 3.17Å; E299-R303 IonicContact OE1-CZ 3.49Å; E299-R303 VanDerWaalsContact OE1-CZ 3.26Å; E299-R303 IonicContact OE1-NE 3.78Å; E299-R303 PolarHBondContact OE1-NE 2.75Å; E299-R303 IonicContact OE1-NH2 3.05Å; E299-R303 PolarHBondContact OE1-NH2 3.1Å; E299-F312 HydrophobicContact CG-CZ 3.99Å |
| 300 | F | 81 | Confident | 82.5 | Confident | 178 Ų | 178 | 82.1 Ų | 82.1 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -56.2 | -44.7 | 175.9 | 176.9 | -95.7 | 0 | 0 | 0 | 112.2 | Y298 R303 Y304 | Y298-F300 VanDerWaalsContact C-N 3.29Å; Y298-F300 PolarHBondContact O-N 2.82Å; F300-R303 PolarHBondContact O-N 3.25Å; F300-Y304 PolarHBondContact O-N 3.43Å |
| 301 | L | 75.3 | Confident | 82.9 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 23% | 0.225 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67 | -40.6 | 178.3 | -175.7 | 66.1 | 0 | 0 | 0 | 111.3 | L160 Y298 E299 Y304 L305 | L160-L301 HydrophobicContact CD1-CD1 3.5Å; L160-L301 VanDerWaalsContact CD1-CD1 3.5Å; L160-L301 HydrophobicContact CD1-CD2 4.24Å; Y298-L301 CarbonylContact O-C 3.36Å; Y298-L301 WeakPolarHBondContact O-CA 3.4Å; Y298-L301 WeakPolarHBondContact O-CB 3.45Å; Y298-L301 PolarHBondContact O-N 2.02Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.1Å; L301-Y304 PolarHBondContact O-N 3.41Å; L301-L305 HydrophobicContact CD1-CD1 3.5Å; L301-L305 VanDerWaalsContact CD1-CD1 3.5Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CD2-CD1 4.17Å; L301-L305 HydrophobicContact CG-CD1 3.62Å; L301-L305 HydrophobicContact CG-CG 4.23Å; L301-L305 WeakPolarHBondContact O-CB 3.37Å; L301-L305 WeakPolarHBondContact O-CG 3.05Å; L301-L305 PolarHBondContact O-N 3.12Å |
| 302 | M | 83.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.8 | -35.5 | 179.2 | -62.9 | -56.7 | -65.4 | 0 | 0 | 112 | I289 R292 Y298 E299 Y304 C306 C310 F312 | I289-M302 HydrophobicContact CB-CE 4.25Å; I289-M302 HydrophobicContact CB-SD 4.41Å; I289-M302 HydrophobicContact CD1-CE 4.03Å; I289-M302 HydrophobicContact CD1-SD 3.69Å; I289-M302 HydrophobicContact CG1-CE 3.91Å; I289-M302 HydrophobicContact CG1-SD 4.17Å; I289-M302 VanDerWaalsContact O-CE 3.25Å; I289-M302 WeakPolarHBondContact O-CE 3.41Å; R292-M302 HydrophobicContact CB-CG 4.3Å; R292-M302 HydrophobicContact CB-SD 4.18Å; Y298-M302 WeakPolarHBondContact O-CG 3.33Å; Y298-M302 PolarHBondContact O-N 2.87Å; E299-M302 PolarHBondContact O-N 2.9Å; E299-M302 VanDerWaalsContact O-N 3.14Å; M302-Y304 VanDerWaalsContact C-N 3.27Å; M302-Y304 PolarHBondContact O-N 2.72Å; M302-C306 HydrophobicContact CE-CB 3.86Å; M302-C306 CarbonylContact O-C 3.33Å; M302-C306 WeakPolarHBondContact O-CA 3.28Å; M302-C306 PolarHBondContact O-N 3.46Å; M302-C310 WeakPolarHBondContact CE-SG 3.49Å; M302-F312 HydrophobicContact CB-CE2 3.85Å |
| 303 | R | 87.4 | Confident | 83.5 | Confident | 126 Ų | 126 | 74.1 Ų | 74.1 | 48% | 0.475 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -32.7 | 170.5 | -75 | 176.6 | 177.8 | -81.7 | 0.1 | 112.7 | E299 F300 P307 F312 | E299-R303 HydrophobicContact CG-CG 4.35Å; E299-R303 WeakPolarHBondContact O-CB 3.25Å; E299-R303 WeakPolarHBondContact O-CG 3.27Å; E299-R303 PolarHBondContact O-N 3.17Å; E299-R303 IonicContact OE1-CZ 3.49Å; E299-R303 VanDerWaalsContact OE1-CZ 3.26Å; E299-R303 IonicContact OE1-NE 3.78Å; E299-R303 PolarHBondContact OE1-NE 2.75Å; E299-R303 IonicContact OE1-NH2 3.05Å; E299-R303 PolarHBondContact OE1-NH2 3.1Å; F300-R303 PolarHBondContact O-N 3.25Å; R303-P307 WeakPolarHBondContact O-CB 3.44Å; R303-F312 HydrophobicContact CB-CD2 4.09Å; R303-F312 HydrophobicContact CB-CE2 4.35Å; R303-F312 HydrophobicContact CG-CB 4.38Å; R303-F312 HydrophobicContact CG-CD1 4.09Å; R303-F312 HydrophobicContact CG-CD2 3.46Å; R303-F312 VanDerWaalsContact CG-CD2 3.46Å; R303-F312 HydrophobicContact CG-CE1 4.18Å; R303-F312 HydrophobicContact CG-CE2 3.55Å; R303-F312 HydrophobicContact CG-CG 3.73Å; R303-F312 HydrophobicContact CG-CZ 3.91Å |
| 304 | Y | 82.5 | Confident | 82.9 | Confident | 96 Ų | 96 | 82.7 Ų | 82.7 | 38% | 0.376 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -83 | -43.8 | 178.7 | -178 | -102.1 | 0 | 0 | 0 | 113 | W134 K282 F300 L301 M302 | W134-Y304 HydrophobicContact CH2-CE1 4.02Å; W134-Y304 WeakPolarHBondContact CH2-OH 3.3Å; W134-Y304 HydrophobicContact CZ3-CE1 4.26Å; K282-Y304 HydrophobicContact CD-CE1 4.22Å; K282-Y304 WeakPolarHBondContact CD-O 3.43Å; K282-Y304 VanDerWaalsContact NZ-CE2 3.34Å; F300-Y304 PolarHBondContact O-N 3.43Å; L301-Y304 PolarHBondContact O-N 3.41Å; M302-Y304 VanDerWaalsContact C-N 3.27Å; M302-Y304 PolarHBondContact O-N 2.72Å |
| 305 | L | 81.7 | Confident | 82.8 | Confident | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.021 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -94.3 | -34.3 | -170.6 | -66.7 | -179.2 | 0 | 0 | 0 | 114.8 | V26 D281 K282 A283 L301 | V26-L305 HydrophobicContact CB-CD1 3.81Å; V26-L305 HydrophobicContact CB-CD2 4.39Å; V26-L305 HydrophobicContact CG1-CD1 4.46Å; V26-L305 HydrophobicContact CG1-CD2 4.23Å; V26-L305 HydrophobicContact CG2-CD1 3.15Å; V26-L305 HydrophobicContact CG2-CD2 3.63Å; V26-L305 HydrophobicContact CG2-CG 3.99Å; D281-L305 CarbonylContact C-O 3.48Å; D281-L305 WeakPolarHBondContact CA-O 3.42Å; K282-L305 PolarHBondContact N-O 2.9Å; A283-L305 HydrophobicContact CB-CB 4.23Å; A283-L305 PolarHBondContact N-O 3.25Å; A283-L305 VanDerWaalsContact N-O 3.07Å; L301-L305 HydrophobicContact CD1-CD1 3.5Å; L301-L305 VanDerWaalsContact CD1-CD1 3.5Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CD2-CD1 4.17Å; L301-L305 HydrophobicContact CG-CD1 3.62Å; L301-L305 HydrophobicContact CG-CG 4.23Å; L301-L305 WeakPolarHBondContact O-CB 3.37Å; L301-L305 WeakPolarHBondContact O-CG 3.05Å; L301-L305 PolarHBondContact O-N 3.12Å |
| 306 | C | 85.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | trans | -131.4 | 41.8 | -171.3 | -64.3 | 0 | 0 | 0 | 0 | 111.8 | D281 C286 M302 K308 S309 C310 | D281-C306 WeakPolarHBondContact OD1-CA 3.03Å; C286-C306 WeakPolarHBondContact CA-SG 3.5Å; C286-C306 HydrophobicContact CB-CB 3.66Å; C286-C306 WeakPolarHBondContact CB-SG 3.36Å; C286-C306 WeakPolarHBondContact SG-CA 3.44Å; C286-C306 WeakPolarHBondContact SG-CB 3.23Å; C286-C306 CovalentContact SG-SG 2.02Å; C286-C306 PolarHBondContact SG-SG 3.37Å; M302-C306 HydrophobicContact CE-CB 3.86Å; M302-C306 CarbonylContact O-C 3.33Å; M302-C306 WeakPolarHBondContact O-CA 3.28Å; M302-C306 PolarHBondContact O-N 3.46Å; C306-K308 PolarHBondContact O-N 3.16Å; C306-S309 PolarHBondContact O-N 3.43Å; C306-C310 WeakPolarHBondContact O-CB 3.24Å; C306-C310 PolarHBondContact O-N 2.76Å; C306-C310 PolarHBondContact O-SG 3.43Å | ||
| 307 | P | 91.8 | Very high | 83.3 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -30.8 | -173.5 | 27.7 | -35.5 | 0 | 0 | 0 | 112.6 | E280 R303 G311 F312 C313 | E280-P307 WeakPolarHBondContact O-CD 3.37Å; E280-P307 VanDerWaalsContact O-CG 3.22Å; E280-P307 WeakPolarHBondContact O-CG 3.45Å; R303-P307 WeakPolarHBondContact O-CB 3.44Å; P307-G311 PolarHBondContact O-N 2.97Å; P307-F312 HydrophobicContact CB-CB 4.11Å; P307-F312 WeakPolarHBondContact O-CA 3.35Å; P307-F312 PolarHBondContact O-N 3.21Å; P307-C313 PolarHBondContact O-N 3.07Å; P307-C313 PolarHBondContact O-SG 3Å |
| 308 | K | 91.8 | Very high | 84.4 | Confident | 121 Ų | 121 | 66 Ų | 66 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -51.4 | 178.4 | -171.9 | 176.9 | -178.8 | 173.9 | 0 | 111.2 | E280 D281 C306 C310 G311 C313 | E280-K308 HydrophobicContact CG-CD 4.24Å; D281-K308 WeakPolarHBondContact OD1-CA 3.5Å; D281-K308 WeakPolarHBondContact OD1-CB 3.31Å; D281-K308 PolarHBondContact OD1-N 2.86Å; C306-K308 PolarHBondContact O-N 3.16Å; K308-C310 PolarHBondContact O-N 3.38Å; K308-G311 PolarHBondContact O-N 3.43Å; K308-G311 VanDerWaalsContact O-N 3.12Å; K308-C313 WeakPolarHBondContact CA-SG 3.42Å; K308-C313 PolarHBondContact N-SG 3.1Å |
| 309 | S | 88.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -32.2 | 176.4 | -80.3 | 0 | 0 | 0 | 0 | 113.1 | D281 C286 C306 | D281-S309 VanDerWaalsContact CG-N 3.33Å; D281-S309 PolarHBondContact OD1-N 3.13Å; D281-S309 WeakPolarHBondContact OD2-CB 3.21Å; D281-S309 PolarHBondContact OD2-N 3.3Å; D281-S309 PolarHBondContact OD2-OG 3.35Å; C286-S309 VanDerWaalsContact CB-CB 3.46Å; C286-S309 WeakPolarHBondContact CB-OG 3.14Å; C306-S309 PolarHBondContact O-N 3.43Å |
| 310 | C | 90.9 | Very high | 85.4 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -3 | 179 | -73.1 | 0 | 0 | 0 | 0 | 115.1 | C293 M302 C306 K308 F312 | C293-C310 VanDerWaalsContact CA-SG 3.55Å; C293-C310 HydrophobicContact CB-CB 3.54Å; C293-C310 WeakPolarHBondContact CB-SG 3.39Å; C293-C310 WeakPolarHBondContact SG-CA 3.44Å; C293-C310 WeakPolarHBondContact SG-CB 3.46Å; C293-C310 CovalentContact SG-SG 2.02Å; C293-C310 PolarHBondContact SG-SG 2.84Å; M302-C310 WeakPolarHBondContact CE-SG 3.49Å; C306-C310 WeakPolarHBondContact O-CB 3.24Å; C306-C310 PolarHBondContact O-N 2.76Å; C306-C310 PolarHBondContact O-SG 3.43Å; K308-C310 PolarHBondContact O-N 3.38Å; C310-F312 VanDerWaalsContact C-N 3.29Å; C310-F312 HydrophobicContact CB-CD2 3.28Å; C310-F312 HydrophobicContact CB-CE2 3.26Å; C310-F312 HydrophobicContact CB-CG 4.03Å; C310-F312 HydrophobicContact CB-CZ 3.98Å; C310-F312 PolarHBondContact O-N 3.43Å |
| 311 | G | 90.4 | Very high | 85.7 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 31.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P307 K308 C313 | P307-G311 PolarHBondContact O-N 2.97Å; K308-G311 PolarHBondContact O-N 3.43Å; K308-G311 VanDerWaalsContact O-N 3.12Å; G311-C313 VanDerWaalsContact C-N 3.35Å |
| 312 | F | 91 | Very high | 86.5 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | trans | -87 | -6.8 | 171.8 | -61.9 | -47.3 | 0 | 0 | 0 | 113.5 | C293 E299 M302 R303 P307 C310 S314 | C293-F312 HydrophobicContact CB-CE2 4.47Å; C293-F312 HydrophobicContact CB-CZ 4.32Å; C293-F312 VanDerWaalsContact O-CZ 3.26Å; C293-F312 WeakPolarHBondContact O-CZ 3.49Å; E299-F312 HydrophobicContact CG-CZ 3.99Å; M302-F312 HydrophobicContact CB-CE2 3.85Å; R303-F312 HydrophobicContact CB-CD2 4.09Å; R303-F312 HydrophobicContact CB-CE2 4.35Å; R303-F312 HydrophobicContact CG-CB 4.38Å; R303-F312 HydrophobicContact CG-CD1 4.09Å; R303-F312 HydrophobicContact CG-CD2 3.46Å; R303-F312 VanDerWaalsContact CG-CD2 3.46Å; R303-F312 HydrophobicContact CG-CE1 4.18Å; R303-F312 HydrophobicContact CG-CE2 3.55Å; R303-F312 HydrophobicContact CG-CG 3.73Å; R303-F312 HydrophobicContact CG-CZ 3.91Å; P307-F312 HydrophobicContact CB-CB 4.11Å; P307-F312 WeakPolarHBondContact O-CA 3.35Å; P307-F312 PolarHBondContact O-N 3.21Å; C310-F312 VanDerWaalsContact C-N 3.29Å; C310-F312 HydrophobicContact CB-CD2 3.28Å; C310-F312 HydrophobicContact CB-CE2 3.26Å; C310-F312 HydrophobicContact CB-CG 4.03Å; C310-F312 HydrophobicContact CB-CZ 3.98Å; C310-F312 PolarHBondContact O-N 3.43Å; F312-S314 PolarHBondContact O-N 3.27Å | ||
| 313 | C | 87.2 | Confident | 86.8 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | trans | -72.5 | 104.2 | 168.5 | -54.2 | 0 | 0 | 0 | 0 | 109.7 | C279 P307 K308 G311 | C279-C313 HydrophobicContact CB-CB 3.5Å; C279-C313 VanDerWaalsContact CB-CB 3.5Å; C279-C313 WeakPolarHBondContact CB-SG 3.49Å; C279-C313 PolarHBondContact O-SG 3.23Å; C279-C313 WeakPolarHBondContact SG-CA 3.36Å; C279-C313 WeakPolarHBondContact SG-CB 3.5Å; C279-C313 CovalentContact SG-SG 2Å; C279-C313 PolarHBondContact SG-SG 3.31Å; P307-C313 PolarHBondContact O-N 3.07Å; P307-C313 PolarHBondContact O-SG 3Å; K308-C313 WeakPolarHBondContact CA-SG 3.42Å; K308-C313 PolarHBondContact N-SG 3.1Å; G311-C313 VanDerWaalsContact C-N 3.35Å | ||
| 314 | S | 72.1 | Confident | 86.7 | Confident | 190 Ų | 190 | 57.5 Ų | 57.5 | 100% | 1.329 | 35% | 0.353 | S | S | * | . | trans | -91.9 | 0 | 170.2 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | F312 | F312-S314 PolarHBondContact O-N 3.27Š|
Retrieved 314 of 314 residues in 313.2 ms
(Link to these results)