| 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 | 38.5 | Very low | 60.1 | Low | 240 Ų | 240 | 118.7 Ų | 118.7 | 100% | 1.182 | 60% | 0.603 | S | S | * | * | 0 | 119.3 | 0 | -76.5 | 177.1 | 166 | 0 | 0 | 107 | |||||
| 2 | Q | 36.4 | Very low | 62.9 | Low | 186 Ų | 186 | 108.9 Ų | 108.9 | 87% | 0.869 | 55% | 0.553 | S | S | * | * | trans | -63.6 | 135.8 | 165.2 | -78.3 | 171 | -11.4 | 0 | 0 | 107 | L4 | Q2-L4 PolarHBondContact O-N 3.06Å; Q2-L4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | P | 40.3 | Very low | 65.4 | Low | 117 Ų | 117 | 100.6 Ų | 100.6 | 76% | 0.76 | 51% | 0.511 | S | S | * | . | trans | -56 | 124.9 | 171.3 | 23.2 | -29 | 0 | 0 | 0 | 106.7 | E5 | P3-E5 PolarHBondContact O-N 2.98Š| ||
| 4 | L | 43.5 | Very low | 67.7 | Low | 173 Ų | 173 | 93.4 Ų | 93.4 | 91% | 0.906 | 48% | 0.475 | S | S | * | . | trans | -49.2 | 115 | 170.1 | -75.9 | 148.4 | 0 | 0 | 0 | 106 | Q2 E6 | Q2-L4 PolarHBondContact O-N 3.06Å; Q2-L4 VanDerWaalsContact O-N 3.13Å; L4-E6 PolarHBondContact O-N 3.16Å | ||
| 5 | E | 45.6 | Very low | 69.5 | Low | 137 Ų | 137 | 88.3 Ų | 88.3 | 64% | 0.64 | 45% | 0.447 | S | S | * | . | trans | -55.3 | 111 | 173.5 | -75.2 | -175.2 | 164.6 | 0 | 0 | 106.4 | P3 T7 K343 | P3-E5 PolarHBondContact O-N 2.98Å; E5-T7 VanDerWaalsContact C-N 3.26Å; E5-T7 PolarHBondContact O-N 3.42Å; E5-K343 IonicContact OE2-NZ 2.66Å; E5-K343 PolarHBondContact OE2-NZ 2.94Å | ||
| 6 | E | 53.7 | Low | 71.1 | Confident | 146 Ų | 146 | 82.9 Ų | 82.9 | 68% | 0.682 | 42% | 0.42 | S | S | * | . | trans | -69.3 | 90.8 | -179.4 | -157.3 | 173.5 | -145.2 | 0 | 0 | 106.8 | L4 D8 | L4-E6 PolarHBondContact O-N 3.16Å; E6-D8 PolarHBondContact O-N 3.27Å | ||
| 7 | T | 58.7 | Low | 72.4 | Confident | 71 Ų | 71 | 79.3 Ų | 79.3 | 44% | 0.436 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 117.1 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 107.9 | E5 | E5-T7 VanDerWaalsContact C-N 3.26Å; E5-T7 PolarHBondContact O-N 3.42Å |
| 8 | D | 76.4 | Confident | 73.4 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.3 | 177.9 | -96 | 43.1 | 0 | 0 | 0 | 109.4 | E6 K310 N342 | E6-D8 PolarHBondContact O-N 3.27Å; D8-K310 HydrophobicContact CB-CD 4.16Å; D8-K310 IonicContact OD1-NZ 2.64Å; D8-K310 PolarHBondContact OD1-NZ 2.95Å; D8-K310 WeakPolarHBondContact OD2-CD 3.47Å; D8-K310 VanDerWaalsContact OD2-CE 3.24Å; D8-K310 WeakPolarHBondContact OD2-CE 3.37Å; D8-K310 IonicContact OD2-NZ 2.85Å; D8-K310 PolarHBondContact OD2-NZ 3.26Å; D8-N342 PolarHBondContact N-O 3.05Å; D8-N342 PolarHBondContact O-N 2.66Å |
| 9 | N | 85.5 | Confident | 74.2 | Confident | 87 Ų | 87 | 77.2 Ų | 77.2 | 47% | 0.465 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 147.8 | 168.9 | -63.5 | -17.9 | 0 | 0 | 0 | 109.7 | K11 I340 K341 | N9-K11 PolarHBondContact O-N 3.27Å; N9-I340 WeakPolarHBondContact CA-O 3.05Å; N9-K341 WeakPolarHBondContact OD1-CG 3.43Å |
| 10 | V | 89.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 122.2 | 170 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | V12 T311 M313 I340 | V10-V12 HydrophobicContact CG1-CG2 4.41Å; V10-T311 HydrophobicContact CG1-CG2 4.17Å; V10-T311 HydrophobicContact CG2-CG2 4.39Å; V10-M313 HydrophobicContact CG1-CB 4.41Å; V10-I340 HydrophobicContact CB-CB 4.37Å; V10-I340 HydrophobicContact CG2-CB 3.73Å; V10-I340 HydrophobicContact CG2-CG2 3.83Å; V10-I340 PolarHBondContact N-O 3.17Å |
| 11 | K | 92.5 | Very high | 75.3 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 46% | 0.457 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 130.5 | 175.9 | -72.4 | -171 | 177 | -176.1 | 0 | 109.7 | N9 D59 T311 A312 M313 | N9-K11 PolarHBondContact O-N 3.27Å; K11-D59 WeakPolarHBondContact CA-OD2 3.4Å; K11-T311 PolarHBondContact N-O 2.97Å; K11-A312 HydrophobicContact CB-CB 4.49Å; K11-A312 CarbonylContact O-C 3.55Å; K11-A312 VanDerWaalsContact O-CA 3.3Å; K11-A312 WeakPolarHBondContact O-CA 3.33Å; K11-M313 PolarHBondContact O-N 3.44Å |
| 12 | V | 94.3 | Very high | 77.5 | Confident | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.3 | -179 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | V10 F58 D59 I60 M313 A334 A337 K338 | V10-V12 HydrophobicContact CG1-CG2 4.41Å; V12-F58 HydrophobicContact CB-CD1 4.37Å; V12-F58 HydrophobicContact CG1-CD1 3.63Å; V12-F58 HydrophobicContact CG1-CE1 4.18Å; V12-D59 PolarHBondContact N-OD2 3.36Å; V12-D59 PolarHBondContact O-N 2.94Å; V12-I60 PolarHBondContact O-N 3.07Å; V12-M313 WeakPolarHBondContact CA-O 2.96Å; V12-M313 HydrophobicContact CG2-CB 4.37Å; V12-A334 HydrophobicContact CG1-CB 3.76Å; V12-A337 HydrophobicContact CG2-CB 4.33Å; V12-K338 HydrophobicContact CB-CB 4.41Å; V12-K338 HydrophobicContact CG2-CB 3.85Å; V12-K338 HydrophobicContact CG2-CG 4.41Å |
| 13 | A | 95.7 | Very high | 79.9 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I60 F62 V75 M313 I314 A315 | A13-I60 CarbonylContact C-O 3.58Å; A13-I60 VanDerWaalsContact CA-O 3.24Å; A13-I60 WeakPolarHBondContact CA-O 3.32Å; A13-I60 HydrophobicContact CB-CB 4.11Å; A13-F62 HydrophobicContact CB-CE2 4.08Å; A13-V75 HydrophobicContact CB-CG1 4.46Å; A13-V75 HydrophobicContact CB-CG2 3.61Å; A13-M313 PolarHBondContact N-O 3.12Å; A13-I314 HydrophobicContact CB-CG1 4.4Å; A13-I314 CarbonylContact O-C 3.55Å; A13-I314 WeakPolarHBondContact O-CA 3.3Å; A13-A315 PolarHBondContact O-N 2.89Å |
| 14 | V | 96.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.3 | 173.1 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | V41 F58 I60 V61 F62 A315 I317 L331 | V14-V41 HydrophobicContact CB-CG2 4.22Å; V14-V41 HydrophobicContact CG1-CG2 3.96Å; V14-F58 HydrophobicContact CB-CD2 4.25Å; V14-F58 HydrophobicContact CG2-CB 4.16Å; V14-F58 HydrophobicContact CG2-CD1 3.79Å; V14-F58 HydrophobicContact CG2-CD2 3.34Å; V14-F58 HydrophobicContact CG2-CE1 3.95Å; V14-F58 HydrophobicContact CG2-CE2 3.52Å; V14-F58 HydrophobicContact CG2-CG 3.46Å; V14-F58 VanDerWaalsContact CG2-CG 3.46Å; V14-F58 HydrophobicContact CG2-CZ 3.82Å; V14-I60 PolarHBondContact N-O 3.42Å; V14-V61 HydrophobicContact CB-CG1 4.37Å; V14-V61 HydrophobicContact CB-CG2 4.4Å; V14-V61 CarbonylContact O-C 3.53Å; V14-V61 WeakPolarHBondContact O-CA 3.5Å; V14-F62 PolarHBondContact O-N 3.11Å; V14-A315 CarbonylContact C-O 3.54Å; V14-A315 WeakPolarHBondContact CA-O 3.39Å; V14-A315 HydrophobicContact CG2-CB 4.22Å; V14-I317 HydrophobicContact CG1-CD1 3.57Å; V14-I317 HydrophobicContact CG1-CG1 4.16Å; V14-L331 HydrophobicContact CG1-CD2 3.82Å; V14-L331 HydrophobicContact CG2-CD2 3.91Å |
| 15 | R | 95.6 | Very high | 84.2 | Confident | 17 Ų | 17 | 66 Ų | 66 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.5 | 175.5 | -171.4 | -166.8 | -174.3 | 159.3 | 13 | 110.7 | F62 I71 T104 I314 A315 N316 I317 | R15-F62 HydrophobicContact CB-CB 4.33Å; R15-F62 HydrophobicContact CG-CB 4.11Å; R15-I71 HydrophobicContact CG-CD1 4.18Å; R15-I71 VanDerWaalsContact NE-CD1 3.32Å; R15-T104 PolarHBondContact NH1-OG1 2.92Å; R15-I314 HydrophobicContact CB-CG2 4.31Å; R15-A315 PolarHBondContact N-O 3.35Å; R15-N316 WeakPolarHBondContact O-CA 3.22Å; R15-I317 PolarHBondContact O-N 3.39Å |
| 16 | C | 94.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.6 | 169.8 | -168.2 | 0 | 0 | 0 | 0 | 109.7 | V34 F62 G63 I317 | C16-V34 HydrophobicContact CB-CG2 4.07Å; C16-F62 PolarHBondContact N-O 3.44Å; C16-G63 CarbonylContact O-C 3.58Å; C16-I317 HydrophobicContact CB-CD1 4.34Å; C16-I317 HydrophobicContact CB-CG1 4.01Å |
| 17 | R | 93.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 159 | 175.3 | 67.4 | 159.3 | 176.6 | 74.3 | 1.4 | 111.7 | D20 E23 G98 I317 S318 P319 | R17-D20 IonicContact CZ-OD2 3.24Å; R17-D20 IonicContact NH1-OD1 3.88Å; R17-D20 IonicContact NH1-OD2 3.99Å; R17-D20 IonicContact NH2-OD2 3.75Å; R17-E23 IonicContact CZ-OE1 3.89Å; R17-E23 IonicContact CZ-OE2 3.52Å; R17-E23 IonicContact NH1-OE1 3.6Å; R17-E23 IonicContact NH1-OE2 3.11Å; R17-E23 PolarHBondContact NH1-OE2 3.4Å; R17-E23 VanDerWaalsContact NH2-CD 3.33Å; R17-E23 IonicContact NH2-OE1 3.07Å; R17-E23 PolarHBondContact NH2-OE1 3.4Å; R17-E23 IonicContact NH2-OE2 3.33Å; R17-E23 PolarHBondContact NH2-OE2 2.99Å; R17-G98 WeakPolarHBondContact CD-O 3.44Å; R17-G98 PolarHBondContact NE-O 3.36Å; R17-I317 PolarHBondContact N-O 2.83Å; R17-S318 PolarHBondContact NH2-OG 2.98Å; R17-P319 WeakPolarHBondContact O-CD 3.06Å; R17-P319 WeakPolarHBondContact O-CG 3.24Å |
| 18 | P | 90.3 | Very high | 88.7 | Confident | 73 Ų | 73 | 63.5 Ų | 63.5 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 158.9 | 165.8 | -20.1 | 31.3 | 0 | 0 | 0 | 112.7 | C64 | P18-C64 HydrophobicContact CB-CB 4.5Å; P18-C64 HydrophobicContact CG-CB 4.38Å; P18-C64 WeakPolarHBondContact CG-O 3.2Å |
| 19 | M | 88 | Confident | 89.2 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -66 | 132.5 | 169 | -68.8 | -76.1 | -83.8 | 0 | 0 | 110.2 | E23 I24 C28 P319 A320 | M19-E23 WeakPolarHBondContact CA-OE2 3.29Å; M19-E23 HydrophobicContact CE-CB 3.89Å; M19-E23 HydrophobicContact SD-CB 4.33Å; M19-I24 HydrophobicContact CB-CD1 4.36Å; M19-I24 HydrophobicContact CB-CG1 3.98Å; M19-C28 HydrophobicContact CE-CB 3.54Å; M19-C28 WeakPolarHBondContact CE-O 3.45Å; M19-P319 HydrophobicContact CG-CB 4.4Å; M19-P319 HydrophobicContact CG-CG 3.82Å; M19-P319 HydrophobicContact SD-CB 4.02Å; M19-P319 HydrophobicContact SD-CG 3.58Å; M19-P319 VanDerWaalsContact SD-CG 3.58Å; M19-A320 HydrophobicContact CE-CB 4.27Å; M19-A320 HydrophobicContact SD-CB 3.94Å |
| 20 | D | 86 | Confident | 89.3 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 158.8 | 179.8 | -73.5 | -21.1 | 0 | 0 | 0 | 111.4 | R17 K22 E23 I24 | R17-D20 IonicContact CZ-OD2 3.24Å; R17-D20 IonicContact NH1-OD1 3.88Å; R17-D20 IonicContact NH1-OD2 3.99Å; R17-D20 IonicContact NH2-OD2 3.75Å; D20-K22 PolarHBondContact O-N 3.1Å; D20-K22 VanDerWaalsContact O-N 3.08Å; D20-E23 HydrophobicContact CB-CG 4.23Å; D20-E23 PolarHBondContact N-OE2 3.12Å; D20-E23 WeakPolarHBondContact O-CB 3.4Å; D20-E23 PolarHBondContact O-N 3.38Å; D20-I24 WeakPolarHBondContact O-CG1 3.31Å; D20-I24 PolarHBondContact O-N 3.24Å |
| 21 | K | 86.2 | Confident | 89.3 | Confident | 191 Ų | 191 | 67.4 Ų | 67.4 | 83% | 0.83 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -52.3 | -36 | 177.8 | -66.2 | -176.5 | -179.7 | 179.5 | 0 | 113 | A25 | K21-A25 VanDerWaalsContact O-CB 3.27Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.46Å |
| 22 | K | 84.1 | Confident | 89.2 | Confident | 163 Ų | 163 | 63.3 Ų | 63.3 | 71% | 0.709 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 177.1 | -70.3 | -179.9 | -179 | 178.4 | 0 | 112.1 | D20 A25 M26 | D20-K22 PolarHBondContact O-N 3.1Å; D20-K22 VanDerWaalsContact O-N 3.08Å; K22-A25 PolarHBondContact O-N 3.04Å; K22-M26 WeakPolarHBondContact O-CB 3.49Å; K22-M26 VanDerWaalsContact O-CG 3.27Å; K22-M26 WeakPolarHBondContact O-CG 3.49Å; K22-M26 PolarHBondContact O-N 3.35Å |
| 23 | E | 86.9 | Confident | 88.9 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.3 | -38.6 | -178.9 | -57.5 | 178.1 | 140.2 | 0 | 0 | 110.9 | R17 M19 D20 A25 M26 N27 C28 A320 Y322 | R17-E23 IonicContact CZ-OE1 3.89Å; R17-E23 IonicContact CZ-OE2 3.52Å; R17-E23 IonicContact NH1-OE1 3.6Å; R17-E23 IonicContact NH1-OE2 3.11Å; R17-E23 PolarHBondContact NH1-OE2 3.4Å; R17-E23 VanDerWaalsContact NH2-CD 3.33Å; R17-E23 IonicContact NH2-OE1 3.07Å; R17-E23 PolarHBondContact NH2-OE1 3.4Å; R17-E23 IonicContact NH2-OE2 3.33Å; R17-E23 PolarHBondContact NH2-OE2 2.99Å; M19-E23 WeakPolarHBondContact CA-OE2 3.29Å; M19-E23 HydrophobicContact CE-CB 3.89Å; M19-E23 HydrophobicContact SD-CB 4.33Å; D20-E23 HydrophobicContact CB-CG 4.23Å; D20-E23 PolarHBondContact N-OE2 3.12Å; D20-E23 WeakPolarHBondContact O-CB 3.4Å; D20-E23 PolarHBondContact O-N 3.38Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-M26 CarbonylContact O-C 3.5Å; E23-M26 PolarHBondContact O-N 3.01Å; E23-N27 PolarHBondContact O-N 3.25Å; E23-N27 VanDerWaalsContact O-N 3.12Å; E23-C28 HydrophobicContact CB-CB 4.16Å; E23-C28 WeakPolarHBondContact O-CB 3.44Å; E23-C28 PolarHBondContact O-N 3.26Å; E23-A320 HydrophobicContact CG-CB 4.42Å; E23-A320 WeakPolarHBondContact OE1-CB 3.43Å; E23-Y322 HydrophobicContact CG-CE1 4.06Å; E23-Y322 PolarHBondContact OE1-OH 2.93Å |
| 24 | I | 86.9 | Confident | 88.6 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 56% | 0.559 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 171.3 | -62.2 | 168.3 | 0 | 0 | 0 | 109.9 | M19 D20 M26 N27 | M19-I24 HydrophobicContact CB-CD1 4.36Å; M19-I24 HydrophobicContact CB-CG1 3.98Å; D20-I24 WeakPolarHBondContact O-CG1 3.31Å; D20-I24 PolarHBondContact O-N 3.24Å; I24-M26 VanDerWaalsContact C-N 3.33Å; I24-M26 PolarHBondContact O-N 3.48Å; I24-N27 PolarHBondContact O-N 3.01Å |
| 25 | A | 86.7 | Confident | 88.2 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 72% | 0.719 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.2 | -33.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K21 K22 E23 N27 | K21-A25 VanDerWaalsContact O-CB 3.27Å; K21-A25 WeakPolarHBondContact O-CB 3.48Å; K21-A25 PolarHBondContact O-N 3.46Å; K22-A25 PolarHBondContact O-N 3.04Å; E23-A25 VanDerWaalsContact C-N 3.34Å; A25-N27 PolarHBondContact O-N 2.92Å |
| 26 | M | 86 | Confident | 87.6 | Confident | 140 Ų | 140 | 74.7 Ų | 74.7 | 69% | 0.69 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.3 | 172.6 | -70.7 | 178.2 | -173.2 | 0 | 0 | 113.1 | K22 E23 I24 C28 | K22-M26 WeakPolarHBondContact O-CB 3.49Å; K22-M26 VanDerWaalsContact O-CG 3.27Å; K22-M26 WeakPolarHBondContact O-CG 3.49Å; K22-M26 PolarHBondContact O-N 3.35Å; E23-M26 CarbonylContact O-C 3.5Å; E23-M26 PolarHBondContact O-N 3.01Å; I24-M26 VanDerWaalsContact C-N 3.33Å; I24-M26 PolarHBondContact O-N 3.48Å; M26-C28 PolarHBondContact O-N 3.42Å |
| 27 | N | 83.6 | Confident | 87 | Confident | 140 Ų | 140 | 79 Ų | 79 | 75% | 0.749 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 33.5 | -177.7 | -151 | 26.9 | 0 | 0 | 0 | 113 | E23 I24 A25 | E23-N27 PolarHBondContact O-N 3.25Å; E23-N27 VanDerWaalsContact O-N 3.12Å; I24-N27 PolarHBondContact O-N 3.01Å; A25-N27 PolarHBondContact O-N 2.92Å |
| 28 | C | 84.5 | Confident | 86.3 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 16% | 0.155 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 140.2 | 176.9 | -68.5 | 0 | 0 | 0 | 0 | 110.1 | M19 E23 M26 A320 | M19-C28 HydrophobicContact CE-CB 3.54Å; M19-C28 WeakPolarHBondContact CE-O 3.45Å; E23-C28 HydrophobicContact CB-CB 4.16Å; E23-C28 WeakPolarHBondContact O-CB 3.44Å; E23-C28 PolarHBondContact O-N 3.26Å; M26-C28 PolarHBondContact O-N 3.42Å; C28-A320 HydrophobicContact CB-CB 4.23Å |
| 29 | K | 86.5 | Confident | 86.1 | Confident | 134 Ų | 134 | 78.7 Ų | 78.7 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -90.9 | 143.1 | 177.9 | -65.8 | 179.2 | -177.3 | 176.3 | 0 | 110.5 | V31 T46 D321 | K29-V31 PolarHBondContact O-N 3.02Å; K29-T46 HydrophobicContact CB-CG2 3.92Å; K29-T46 HydrophobicContact CD-CG2 4Å; K29-D321 PolarHBondContact N-OD2 3.04Å; K29-D321 PolarHBondContact O-N 3.13Å |
| 30 | S | 87.2 | Confident | 86.1 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 52% | 0.517 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -72.8 | 118.3 | 171.2 | -171.2 | 0 | 0 | 0 | 0 | 110 | I32 P319 | S30-I32 PolarHBondContact OG-O 3.45Å; S30-P319 CarbonylContact C-O 3.53Å; S30-P319 VanDerWaalsContact CA-O 3.3Å; S30-P319 WeakPolarHBondContact CA-O 3.27Å |
| 31 | V | 88.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 72.9 Ų | 72.9 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | trans | -96.7 | -5.8 | 176.7 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | K29 L43 K44 T46 P319 D321 F324 | K29-V31 PolarHBondContact O-N 3.02Å; V31-L43 WeakPolarHBondContact O-CA 3.35Å; V31-K44 VanDerWaalsContact CB-O 3.25Å; V31-K44 WeakPolarHBondContact CB-O 3.31Å; V31-K44 VanDerWaalsContact CG1-O 3.27Å; V31-K44 WeakPolarHBondContact CG1-O 3.49Å; V31-K44 PolarHBondContact O-N 2.83Å; V31-T46 HydrophobicContact CG1-CG2 3.78Å; V31-P319 WeakPolarHBondContact CG2-O 3.03Å; V31-P319 PolarHBondContact N-O 3.37Å; V31-D321 HydrophobicContact CG1-CB 3.6Å; V31-F324 HydrophobicContact CB-CD2 4.13Å; V31-F324 HydrophobicContact CG1-CD2 4.47Å; V31-F324 HydrophobicContact CG2-CB 4.35Å; V31-F324 HydrophobicContact CG2-CD2 4.05Å | ||
| 32 | I | 90.4 | Very high | 86.6 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 9% | 0.092 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.4 | -175.8 | -54.4 | -170.4 | 0 | 0 | 0 | 110 | S30 V34 V41 T42 L43 I317 S318 | S30-I32 PolarHBondContact OG-O 3.45Å; I32-V34 HydrophobicContact CG2-CG2 3.94Å; I32-V41 HydrophobicContact CG2-CG1 3.78Å; I32-T42 WeakPolarHBondContact CA-O 3.35Å; I32-L43 HydrophobicContact CG1-CG 4.33Å; I32-I317 HydrophobicContact CD1-CB 4.26Å; I32-I317 HydrophobicContact CD1-CD1 3.61Å; I32-I317 HydrophobicContact CD1-CG1 3.85Å; I32-I317 HydrophobicContact CG2-CD1 4.32Å; I32-S318 WeakPolarHBondContact CD1-O 2.96Å |
| 33 | S | 89.1 | Confident | 86.8 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.4 | 165.2 | -176.4 | 0 | 0 | 0 | 0 | 109 | T42 | S33-T42 PolarHBondContact N-O 3.17Å; S33-T42 PolarHBondContact O-N 3.16Å |
| 34 | V | 89.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.9 | -176.8 | 167.9 | 0 | 0 | 0 | 0 | 109.2 | C16 I32 E36 V61 | C16-V34 HydrophobicContact CB-CG2 4.07Å; I32-V34 HydrophobicContact CG2-CG2 3.94Å; V34-E36 HydrophobicContact CG1-CG 3.84Å; V34-V61 HydrophobicContact CB-CG1 4.36Å; V34-V61 HydrophobicContact CG1-CB 4.35Å; V34-V61 HydrophobicContact CG1-CG1 3.39Å; V34-V61 HydrophobicContact CG2-CG1 4.19Å |
| 35 | S | 87.2 | Confident | 86.5 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 101.7 | 162.9 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | L37 D38 G39 C40 | S35-L37 PolarHBondContact O-N 3.44Å; S35-D38 WeakPolarHBondContact CB-OD2 3.43Å; S35-D38 PolarHBondContact OG-OD2 3.4Å; S35-G39 PolarHBondContact O-N 2.94Å; S35-C40 PolarHBondContact N-O 3.36Å; S35-C40 PolarHBondContact O-N 3.2Å |
| 36 | E | 84.6 | Confident | 85.9 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -30.9 | -179.6 | -57.9 | -168.8 | 171.2 | 0 | 0 | 111.8 | V34 G39 V61 G63 S66 | V34-E36 HydrophobicContact CG1-CG 3.84Å; E36-G39 PolarHBondContact O-N 3.48Å; E36-V61 WeakPolarHBondContact CB-O 3.38Å; E36-V61 WeakPolarHBondContact CG-O 3.28Å; E36-G63 PolarHBondContact OE1-N 3.29Å; E36-S66 PolarHBondContact OE1-OG 3.31Å |
| 37 | L | 80.2 | Confident | 85 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -44 | -178.4 | -66.5 | 166.2 | 0 | 0 | 0 | 113 | S35 G39 A512 | S35-L37 PolarHBondContact O-N 3.44Å; L37-G39 PolarHBondContact O-N 2.91Å; L37-A512 HydrophobicContact CD1-CB 3.81Å; L37-A512 HydrophobicContact CD2-CB 3.23Å; L37-A512 HydrophobicContact CG-CB 4.06Å |
| 38 | D | 79.1 | Confident | 84 | Confident | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.3 | 179.3 | -53.1 | -51.7 | 0 | 0 | 0 | 111.7 | S35 C40 H516 | S35-D38 WeakPolarHBondContact CB-OD2 3.43Å; S35-D38 PolarHBondContact OG-OD2 3.4Å; D38-C40 HydrophobicContact CB-CB 3.84Å; D38-C40 PolarHBondContact O-N 3.06Å; D38-H516 IonicContact OD1-CE1 2.62Å; D38-H516 PolarHBondContact OD1-CE1 3.38Å; D38-H516 IonicContact OD1-ND1 2.9Å; D38-H516 IonicContact OD1-NE2 2.99Å |
| 39 | G | 86.2 | Confident | 82.7 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 35 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S35 E36 L37 T57 F58 V61 | S35-G39 PolarHBondContact O-N 2.94Å; E36-G39 PolarHBondContact O-N 3.48Å; L37-G39 PolarHBondContact O-N 2.91Å; G39-T57 CarbonylContact O-C 3.47Å; G39-T57 WeakPolarHBondContact O-CA 3.25Å; G39-F58 PolarHBondContact O-N 2.89Å; G39-V61 VanDerWaalsContact O-CG2 3.26Å; G39-V61 WeakPolarHBondContact O-CG2 3.41Å |
| 40 | C | 88.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 134.9 | -164.2 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | S35 D38 Q55 F56 | S35-C40 PolarHBondContact N-O 3.36Å; S35-C40 PolarHBondContact O-N 3.2Å; D38-C40 HydrophobicContact CB-CB 3.84Å; D38-C40 PolarHBondContact O-N 3.06Å; C40-Q55 VanDerWaalsContact SG-CD 3.56Å; C40-Q55 WeakPolarHBondContact SG-CG 3.3Å; C40-Q55 PolarHBondContact SG-NE2 3.19Å; C40-F56 CarbonylContact C-O 3.13Å; C40-F56 WeakPolarHBondContact CA-O 3.36Å |
| 41 | V | 92 | Very high | 80.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.4 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | V14 I32 L43 Q55 F56 F58 V61 I317 L331 | V14-V41 HydrophobicContact CB-CG2 4.22Å; V14-V41 HydrophobicContact CG1-CG2 3.96Å; I32-V41 HydrophobicContact CG2-CG1 3.78Å; V41-L43 HydrophobicContact CG1-CD1 3.7Å; V41-Q55 WeakPolarHBondContact O-CA 3.25Å; V41-F56 PolarHBondContact N-O 3.31Å; V41-F56 PolarHBondContact O-N 3.31Å; V41-F58 HydrophobicContact CB-CE2 4.34Å; V41-F58 HydrophobicContact CG2-CD2 4.06Å; V41-F58 HydrophobicContact CG2-CE2 4.07Å; V41-V61 HydrophobicContact CG2-CB 4.32Å; V41-V61 HydrophobicContact CG2-CG1 3.39Å; V41-V61 HydrophobicContact CG2-CG2 3.85Å; V41-I317 HydrophobicContact CG1-CD1 4.01Å; V41-L331 HydrophobicContact CG1-CD1 4.06Å; V41-L331 HydrophobicContact CG1-CD2 4.41Å |
| 42 | T | 89.4 | Confident | 80.1 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 23% | 0.233 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | I32 S33 P53 K54 | I32-T42 WeakPolarHBondContact CA-O 3.35Å; S33-T42 PolarHBondContact N-O 3.17Å; S33-T42 PolarHBondContact O-N 3.16Å; T42-P53 HydrophobicContact CG2-CB 3.68Å; T42-K54 CarbonylContact C-O 3.58Å; T42-K54 VanDerWaalsContact CA-O 3.25Å; T42-K54 WeakPolarHBondContact CA-O 3.33Å |
| 43 | L | 89.7 | Confident | 79.7 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | -179.9 | -81.2 | 78.8 | 0 | 0 | 0 | 109.6 | V31 I32 V41 P53 K54 F56 F324 L328 L331 | V31-L43 WeakPolarHBondContact O-CA 3.35Å; I32-L43 HydrophobicContact CG1-CG 4.33Å; V41-L43 HydrophobicContact CG1-CD1 3.7Å; L43-P53 CarbonylContact O-C 3.53Å; L43-P53 WeakPolarHBondContact O-CA 3.21Å; L43-K54 HydrophobicContact CB-CB 4.45Å; L43-K54 PolarHBondContact N-O 3.41Å; L43-K54 PolarHBondContact O-N 2.87Å; L43-F56 HydrophobicContact CD1-CD2 4.45Å; L43-F324 HydrophobicContact CB-CE2 4Å; L43-F324 HydrophobicContact CD2-CE2 4.41Å; L43-L328 HydrophobicContact CD2-CB 4.13Å; L43-L331 HydrophobicContact CD1-CD1 3.08Å; L43-L331 HydrophobicContact CD2-CD1 3.8Å; L43-L331 HydrophobicContact CG-CD1 4.07Å |
| 44 | K | 85.5 | Confident | 79.5 | Confident | 118 Ų | 118 | 56 Ų | 56 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | trans | -126.3 | 121.3 | 177.3 | -172.8 | 177.7 | 180 | 178.9 | 0 | 110.6 | V31 | V31-K44 VanDerWaalsContact CB-O 3.25Å; V31-K44 WeakPolarHBondContact CB-O 3.31Å; V31-K44 VanDerWaalsContact CG1-O 3.27Å; V31-K44 WeakPolarHBondContact CG1-O 3.49Å; V31-K44 PolarHBondContact O-N 2.83Å | ||
| 45 | R | 81.8 | Confident | 79.3 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 18% | 0.177 | 33% | 0.334 | C | S | . | . | trans | -69.2 | 136.7 | 175.2 | -168.4 | 174.6 | -74 | 138.6 | -7.4 | 109.8 | S47 S48 D51 F324 D563 | R45-S47 WeakPolarHBondContact CG-OG 3.38Å; R45-S48 WeakPolarHBondContact CD-OG 3.45Å; R45-D51 IonicContact CZ-OD2 3.31Å; R45-D51 IonicContact NH1-OD2 3.02Å; R45-D51 PolarHBondContact NH1-OD2 3.09Å; R45-F324 HydrophobicContact CB-CE2 4.03Å; R45-F324 HydrophobicContact CB-CZ 4.01Å; R45-D563 IonicContact CZ-OD1 3.73Å; R45-D563 IonicContact CZ-OD2 2.75Å; R45-D563 IonicContact NH1-OD1 3.8Å; R45-D563 IonicContact NH1-OD2 3.35Å; R45-D563 IonicContact NH2-OD1 2.57Å; R45-D563 PolarHBondContact NH2-OD1 3.35Å; R45-D563 IonicContact NH2-OD2 2.71Å; R45-D563 PolarHBondContact NH2-OD2 2.96Å; R45-D563 VanDerWaalsContact NH2-OD2 3.11Å | ||
| 46 | T | 73.2 | Confident | 79.5 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -84.3 | -28.7 | -178.5 | 42.7 | 0 | 0 | 0 | 0 | 113.6 | K29 V31 D321 | K29-T46 HydrophobicContact CB-CG2 3.92Å; K29-T46 HydrophobicContact CD-CG2 4Å; V31-T46 HydrophobicContact CG1-CG2 3.78Å; T46-D321 HydrophobicContact CG2-CB 4.34Å |
| 47 | S | 67.7 | Low | 79.8 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -78.2 | -23.9 | -172.1 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | R45 | R45-S47 WeakPolarHBondContact CG-OG 3.38Š|
| 48 | S | 62.1 | Low | 80.4 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | trans | -122.5 | 113.7 | -177.7 | 41.3 | 0 | 0 | 0 | 0 | 110 | R45 D50 D51 | R45-S48 WeakPolarHBondContact CD-OG 3.45Å; S48-D50 PolarHBondContact O-N 2.89Å; S48-D51 WeakPolarHBondContact CB-OD2 3.43Å; S48-D51 PolarHBondContact OG-OD2 2.77Å | ||
| 49 | C | 58.4 | Low | 81 | Confident | 120 Ų | 120 | 53.4 Ų | 53.4 | 81% | 0.811 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.8 | 176.3 | -164 | 0 | 0 | 0 | 0 | 112 | ||
| 50 | D | 63.8 | Low | 81.3 | Confident | 143 Ų | 143 | 54.3 Ų | 54.3 | 77% | 0.765 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -11.7 | -171.7 | -64.6 | -32.8 | 0 | 0 | 0 | 114.5 | S48 P52 | S48-D50 PolarHBondContact O-N 2.89Å; D50-P52 WeakPolarHBondContact O-CD 3.49Å |
| 51 | D | 68.9 | Low | 81.5 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.2 | 122 | 178.4 | -84.9 | -36.7 | 0 | 0 | 0 | 109.9 | R45 S48 S559 | R45-D51 IonicContact CZ-OD2 3.31Å; R45-D51 IonicContact NH1-OD2 3.02Å; R45-D51 PolarHBondContact NH1-OD2 3.09Å; S48-D51 WeakPolarHBondContact CB-OD2 3.43Å; S48-D51 PolarHBondContact OG-OD2 2.77Å; D51-S559 PolarHBondContact OD1-OG 2.7Å |
| 52 | P | 74.1 | Confident | 81.6 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 144.4 | 177.4 | 24.3 | -30.5 | 0 | 0 | 0 | 110.3 | D50 Q556 | D50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-Q556 HydrophobicContact CB-CB 4.11Å; P52-Q556 HydrophobicContact CB-CG 4.27Å; P52-Q556 VanDerWaalsContact CG-CA 3.49Å; P52-Q556 HydrophobicContact CG-CB 4Å; P52-Q556 HydrophobicContact CG-CG 4.26Å |
| 53 | P | 82.4 | Confident | 81.6 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 141.7 | 176 | 28.3 | -34.1 | 0 | 0 | 0 | 110.1 | T42 L43 | T42-P53 HydrophobicContact CG2-CB 3.68Å; L43-P53 CarbonylContact O-C 3.53Å; L43-P53 WeakPolarHBondContact O-CA 3.21Å |
| 54 | K | 84.2 | Confident | 81.5 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128 | 179.4 | -60.2 | -172.8 | 179.5 | -135.4 | 0 | 109.8 | T42 L43 F56 L328 D563 | T42-K54 CarbonylContact C-O 3.58Å; T42-K54 VanDerWaalsContact CA-O 3.25Å; T42-K54 WeakPolarHBondContact CA-O 3.33Å; L43-K54 HydrophobicContact CB-CB 4.45Å; L43-K54 PolarHBondContact N-O 3.41Å; L43-K54 PolarHBondContact O-N 2.87Å; K54-F56 HydrophobicContact CB-CE2 4.15Å; K54-L328 HydrophobicContact CD-CD1 3.73Å; K54-L328 HydrophobicContact CD-CD2 4.18Å; K54-D563 WeakPolarHBondContact CE-OD2 3.27Å; K54-D563 IonicContact NZ-OD2 2.63Å; K54-D563 PolarHBondContact NZ-OD2 3.39Å |
| 55 | Q | 86.9 | Confident | 81.4 | Confident | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.3 | -174 | -165.9 | 176.5 | -2.8 | 0 | 0 | 110.1 | C40 V41 | C40-Q55 VanDerWaalsContact SG-CD 3.56Å; C40-Q55 WeakPolarHBondContact SG-CG 3.3Å; C40-Q55 PolarHBondContact SG-NE2 3.19Å; V41-Q55 WeakPolarHBondContact O-CA 3.25Å |
| 56 | F | 90.7 | Very high | 81.7 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.4 | 176.7 | -64.2 | -89 | 0 | 0 | 0 | 110.2 | C40 V41 L43 K54 F58 L328 L331 R332 N335 | C40-F56 CarbonylContact C-O 3.13Å; C40-F56 WeakPolarHBondContact CA-O 3.36Å; V41-F56 PolarHBondContact N-O 3.31Å; V41-F56 PolarHBondContact O-N 3.31Å; L43-F56 HydrophobicContact CD1-CD2 4.45Å; K54-F56 HydrophobicContact CB-CE2 4.15Å; F56-F58 HydrophobicContact CB-CD2 4.27Å; F56-F58 HydrophobicContact CB-CE2 3.33Å; F56-F58 HydrophobicContact CB-CZ 3.61Å; F56-F58 HydrophobicContact CD1-CZ 4.5Å; F56-F58 HydrophobicContact CG-CE2 4.33Å; F56-F58 HydrophobicContact CG-CZ 4.24Å; F56-L328 HydrophobicContact CE2-CD1 3.75Å; F56-L328 HydrophobicContact CZ-CD1 3.76Å; F56-L331 HydrophobicContact CD2-CB 4.1Å; F56-L331 HydrophobicContact CD2-CD1 4.19Å; F56-L331 HydrophobicContact CE2-CB 4.15Å; F56-L331 HydrophobicContact CE2-CD1 4.44Å; F56-L331 HydrophobicContact CG-CB 4.31Å; F56-L331 HydrophobicContact CZ-CB 4.41Å; F56-R332 HydrophobicContact CE1-CG 4.19Å; F56-R332 HydrophobicContact CZ-CG 4.06Å; F56-N335 HydrophobicContact CD1-CB 4.23Å |
| 57 | T | 90.4 | Very high | 82.5 | Confident | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.8 | -179.6 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | G39 K338 | G39-T57 CarbonylContact O-C 3.47Å; G39-T57 WeakPolarHBondContact O-CA 3.25Å; T57-K338 PolarHBondContact O-NZ 2.94Å |
| 58 | F | 93.8 | Very high | 83.6 | Confident | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | trans | -116.9 | 174.8 | -177.1 | -59.3 | -78.6 | 0 | 0 | 0 | 110.9 | V12 V14 G39 V41 F56 V61 L331 A334 N335 | V12-F58 HydrophobicContact CB-CD1 4.37Å; V12-F58 HydrophobicContact CG1-CD1 3.63Å; V12-F58 HydrophobicContact CG1-CE1 4.18Å; V14-F58 HydrophobicContact CB-CD2 4.25Å; V14-F58 HydrophobicContact CG2-CB 4.16Å; V14-F58 HydrophobicContact CG2-CD1 3.79Å; V14-F58 HydrophobicContact CG2-CD2 3.34Å; V14-F58 HydrophobicContact CG2-CE1 3.95Å; V14-F58 HydrophobicContact CG2-CE2 3.52Å; V14-F58 HydrophobicContact CG2-CG 3.46Å; V14-F58 VanDerWaalsContact CG2-CG 3.46Å; V14-F58 HydrophobicContact CG2-CZ 3.82Å; G39-F58 PolarHBondContact O-N 2.89Å; V41-F58 HydrophobicContact CB-CE2 4.34Å; V41-F58 HydrophobicContact CG2-CD2 4.06Å; V41-F58 HydrophobicContact CG2-CE2 4.07Å; F56-F58 HydrophobicContact CB-CD2 4.27Å; F56-F58 HydrophobicContact CB-CE2 3.33Å; F56-F58 HydrophobicContact CB-CZ 3.61Å; F56-F58 HydrophobicContact CD1-CZ 4.5Å; F56-F58 HydrophobicContact CG-CE2 4.33Å; F56-F58 HydrophobicContact CG-CZ 4.24Å; F58-V61 HydrophobicContact CB-CG2 3.99Å; F58-V61 HydrophobicContact CD2-CG2 4.09Å; F58-L331 HydrophobicContact CE2-CD2 3.61Å; F58-L331 HydrophobicContact CZ-CB 4.22Å; F58-L331 HydrophobicContact CZ-CD2 3.6Å; F58-A334 HydrophobicContact CD1-CB 4.46Å; F58-A334 HydrophobicContact CE1-CB 3.7Å; F58-A334 HydrophobicContact CZ-CB 4.32Å; F58-N335 HydrophobicContact CE1-CB 4.19Å | ||
| 59 | D | 91.9 | Very high | 84.8 | Confident | 77 Ų | 77 | 48.1 Ų | 48.1 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -71.5 | -38.9 | 178.5 | -54.3 | -52 | 0 | 0 | 0 | 110.5 | K11 V12 K338 | K11-D59 WeakPolarHBondContact CA-OD2 3.4Å; V12-D59 PolarHBondContact N-OD2 3.36Å; V12-D59 PolarHBondContact O-N 2.94Å; D59-K338 WeakPolarHBondContact OD1-CE 3.43Å; D59-K338 IonicContact OD1-NZ 3.61Å |
| 60 | I | 91.9 | Very high | 86.3 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 140.4 | 178.1 | -55 | 163 | 0 | 0 | 0 | 108.9 | V12 A13 V14 F62 M74 V75 | V12-I60 PolarHBondContact O-N 3.07Å; A13-I60 CarbonylContact C-O 3.58Å; A13-I60 VanDerWaalsContact CA-O 3.24Å; A13-I60 WeakPolarHBondContact CA-O 3.32Å; A13-I60 HydrophobicContact CB-CB 4.11Å; V14-I60 PolarHBondContact N-O 3.42Å; I60-F62 HydrophobicContact CB-CE2 4.41Å; I60-F62 HydrophobicContact CG2-CD2 4.15Å; I60-F62 HydrophobicContact CG2-CE1 3.98Å; I60-F62 HydrophobicContact CG2-CE2 3.5Å; I60-F62 HydrophobicContact CG2-CZ 3.4Å; I60-F62 VanDerWaalsContact CG2-CZ 3.4Å; I60-M74 HydrophobicContact CB-CE 4.46Å; I60-M74 HydrophobicContact CD1-CB 3.98Å; I60-M74 HydrophobicContact CD1-CE 4.16Å; I60-M74 HydrophobicContact CG1-CE 4.01Å; I60-M74 HydrophobicContact CG2-CE 3.59Å; I60-M74 HydrophobicContact CG2-SD 4.23Å; I60-V75 HydrophobicContact CD1-CG2 3.91Å |
| 61 | V | 93.2 | Very high | 87.7 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.5 | 173.9 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | V14 V34 E36 G39 V41 F58 | V14-V61 HydrophobicContact CB-CG1 4.37Å; V14-V61 HydrophobicContact CB-CG2 4.4Å; V14-V61 CarbonylContact O-C 3.53Å; V14-V61 WeakPolarHBondContact O-CA 3.5Å; V34-V61 HydrophobicContact CB-CG1 4.36Å; V34-V61 HydrophobicContact CG1-CB 4.35Å; V34-V61 HydrophobicContact CG1-CG1 3.39Å; V34-V61 HydrophobicContact CG2-CG1 4.19Å; E36-V61 WeakPolarHBondContact CB-O 3.38Å; E36-V61 WeakPolarHBondContact CG-O 3.28Å; G39-V61 VanDerWaalsContact O-CG2 3.26Å; G39-V61 WeakPolarHBondContact O-CG2 3.41Å; V41-V61 HydrophobicContact CG2-CB 4.32Å; V41-V61 HydrophobicContact CG2-CG1 3.39Å; V41-V61 HydrophobicContact CG2-CG2 3.85Å; F58-V61 HydrophobicContact CB-CG2 3.99Å; F58-V61 HydrophobicContact CD2-CG2 4.09Å |
| 62 | F | 94.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.5 | 178.3 | -62.5 | -71.3 | 0 | 0 | 0 | 109.5 | A13 V14 R15 C16 I60 S66 I71 M74 V75 | A13-F62 HydrophobicContact CB-CE2 4.08Å; V14-F62 PolarHBondContact O-N 3.11Å; R15-F62 HydrophobicContact CB-CB 4.33Å; R15-F62 HydrophobicContact CG-CB 4.11Å; C16-F62 PolarHBondContact N-O 3.44Å; I60-F62 HydrophobicContact CB-CE2 4.41Å; I60-F62 HydrophobicContact CG2-CD2 4.15Å; I60-F62 HydrophobicContact CG2-CE1 3.98Å; I60-F62 HydrophobicContact CG2-CE2 3.5Å; I60-F62 HydrophobicContact CG2-CZ 3.4Å; I60-F62 VanDerWaalsContact CG2-CZ 3.4Å; F62-S66 VanDerWaalsContact CA-OG 3.31Å; F62-S66 WeakPolarHBondContact CA-OG 3.45Å; F62-S66 VanDerWaalsContact CB-OG 3.3Å; F62-S66 WeakPolarHBondContact CB-OG 3.43Å; F62-I71 HydrophobicContact CD1-CG1 3.9Å; F62-I71 HydrophobicContact CD2-CG1 3.9Å; F62-I71 HydrophobicContact CE1-CG1 3.91Å; F62-I71 HydrophobicContact CE2-CB 4.3Å; F62-I71 HydrophobicContact CE2-CG1 3.91Å; F62-I71 HydrophobicContact CE2-CG2 4.18Å; F62-I71 HydrophobicContact CG-CG1 3.89Å; F62-I71 HydrophobicContact CZ-CB 4.21Å; F62-I71 HydrophobicContact CZ-CG1 3.91Å; F62-I71 HydrophobicContact CZ-CG2 4.5Å; F62-M74 HydrophobicContact CE1-SD 3.81Å; F62-M74 HydrophobicContact CZ-CB 4.09Å; F62-M74 HydrophobicContact CZ-SD 4.03Å; F62-V75 HydrophobicContact CE2-CG2 3.79Å; F62-V75 HydrophobicContact CZ-CG2 4.08Å |
| 63 | G | 89.4 | Confident | 89.6 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | trans | -82 | -173 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | C16 E36 G65 S66 | C16-G63 CarbonylContact O-C 3.58Å; E36-G63 PolarHBondContact OE1-N 3.29Å; G63-G65 PolarHBondContact O-N 2.83Å; G63-G65 VanDerWaalsContact O-N 3.13Å; G63-S66 PolarHBondContact N-OG 3.46Å; G63-S66 PolarHBondContact O-N 2.94Å; G63-S66 PolarHBondContact O-OG 2.87Å | ||
| 64 | C | 86.7 | Confident | 90 | Very high | 68 Ų | 68 | 33.7 Ų | 33.7 | 46% | 0.459 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.3 | -178.2 | -53.2 | 0 | 0 | 0 | 0 | 113.5 | P18 | P18-C64 HydrophobicContact CB-CB 4.5Å; P18-C64 HydrophobicContact CG-CB 4.38Å; P18-C64 WeakPolarHBondContact CG-O 3.2Å |
| 65 | G | 84.1 | Confident | 90.4 | Very high | 73 Ų | 73 | 33.8 Ų | 33.8 | 75% | 0.753 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G63 | G63-G65 PolarHBondContact O-N 2.83Å; G63-G65 VanDerWaalsContact O-N 3.13Å |
| 66 | S | 88.1 | Confident | 90.7 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | trans | -73.9 | 136.4 | -170.3 | -42.2 | 0 | 0 | 0 | 0 | 112.7 | E36 F62 G63 | E36-S66 PolarHBondContact OE1-OG 3.31Å; F62-S66 VanDerWaalsContact CA-OG 3.31Å; F62-S66 WeakPolarHBondContact CA-OG 3.45Å; F62-S66 VanDerWaalsContact CB-OG 3.3Å; F62-S66 WeakPolarHBondContact CB-OG 3.43Å; G63-S66 PolarHBondContact N-OG 3.46Å; G63-S66 PolarHBondContact O-N 2.94Å; G63-S66 PolarHBondContact O-OG 2.87Å | ||
| 67 | K | 89.3 | Confident | 90.8 | Very high | 100 Ų | 100 | 29.9 Ų | 29.9 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | trans | -81.3 | 154.7 | 179.6 | -54.7 | 173.9 | -176.8 | 170.7 | 0 | 111 | T69 D70 I71 E504 | K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.39Å; K67-D70 WeakPolarHBondContact CB-OD2 3.3Å; K67-D70 PolarHBondContact N-OD2 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.48Å; K67-D70 PolarHBondContact O-N 2.95Å; K67-I71 PolarHBondContact O-N 3.21Å; K67-E504 IonicContact NZ-OE1 3.61Å; K67-E504 PolarHBondContact NZ-OE1 2.89Å; K67-E504 IonicContact NZ-OE2 2.81Å | ||
| 68 | Q | 90.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -35.7 | 176.8 | -69.9 | -87.1 | 73.8 | 0 | 0 | 112.7 | D70 I71 Y72 F103 L114 R115 | Q68-D70 VanDerWaalsContact C-N 3.28Å; Q68-D70 PolarHBondContact O-N 3.49Å; Q68-I71 PolarHBondContact O-N 2.9Å; Q68-Y72 PolarHBondContact O-N 3.46Å; Q68-F103 HydrophobicContact CG-CE1 4.09Å; Q68-F103 HydrophobicContact CG-CZ 4.18Å; Q68-F103 PolarHBondContact NE2-O 2.91Å; Q68-L114 PolarHBondContact NE2-O 3.24Å; Q68-L114 VanDerWaalsContact NE2-O 3.13Å; Q68-R115 VanDerWaalsContact CB-O 3.3Å; Q68-R115 WeakPolarHBondContact CB-O 3Å |
| 69 | T | 89 | Confident | 90.9 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 175.8 | 51.3 | 0 | 0 | 0 | 0 | 112.2 | K67 Y72 N73 L497 L498 | K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.39Å; T69-Y72 PolarHBondContact O-N 3.09Å; T69-N73 WeakPolarHBondContact O-CB 3.31Å; T69-N73 PolarHBondContact O-N 2.99Å; T69-N73 PolarHBondContact O-ND2 2.91Å; T69-L497 HydrophobicContact CG2-CD2 3.84Å; T69-L498 HydrophobicContact CG2-CD2 4.31Å |
| 70 | D | 89.4 | Confident | 91.1 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | -178.5 | -58 | -18.4 | 0 | 0 | 0 | 110.1 | K67 Q68 Y72 N73 M74 L505 | K67-D70 WeakPolarHBondContact CB-OD2 3.3Å; K67-D70 PolarHBondContact N-OD2 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.48Å; K67-D70 PolarHBondContact O-N 2.95Å; Q68-D70 VanDerWaalsContact C-N 3.28Å; Q68-D70 PolarHBondContact O-N 3.49Å; D70-Y72 VanDerWaalsContact C-N 3.34Å; D70-Y72 PolarHBondContact O-N 2.91Å; D70-N73 PolarHBondContact O-N 3.49Å; D70-M74 WeakPolarHBondContact O-CB 3.34Å; D70-M74 WeakPolarHBondContact O-CG 3.13Å; D70-M74 PolarHBondContact O-N 3.41Å; D70-L505 HydrophobicContact CB-CD1 3.45Å; D70-L505 VanDerWaalsContact CB-CD1 3.45Å |
| 71 | I | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 174.8 | -59.7 | 168 | 0 | 0 | 0 | 110.5 | R15 F62 K67 Q68 V75 T104 I117 I314 | R15-I71 HydrophobicContact CG-CD1 4.18Å; R15-I71 VanDerWaalsContact NE-CD1 3.32Å; F62-I71 HydrophobicContact CD1-CG1 3.9Å; F62-I71 HydrophobicContact CD2-CG1 3.9Å; F62-I71 HydrophobicContact CE1-CG1 3.91Å; F62-I71 HydrophobicContact CE2-CB 4.3Å; F62-I71 HydrophobicContact CE2-CG1 3.91Å; F62-I71 HydrophobicContact CE2-CG2 4.18Å; F62-I71 HydrophobicContact CG-CG1 3.89Å; F62-I71 HydrophobicContact CZ-CB 4.21Å; F62-I71 HydrophobicContact CZ-CG1 3.91Å; F62-I71 HydrophobicContact CZ-CG2 4.5Å; K67-I71 PolarHBondContact O-N 3.21Å; Q68-I71 PolarHBondContact O-N 2.9Å; I71-V75 WeakPolarHBondContact O-CB 3.46Å; I71-V75 PolarHBondContact O-N 3.45Å; I71-T104 HydrophobicContact CG2-CG2 4.37Å; I71-I117 HydrophobicContact CG2-CD1 4.35Å; I71-I314 HydrophobicContact CG2-CD1 4.22Å |
| 72 | Y | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -60.5 | -51.1 | 177.1 | -178.1 | -96.8 | 0 | 0 | 0 | 111.5 | Q68 T69 D70 M74 A76 R77 I117 N120 S121 H124 L498 | Q68-Y72 PolarHBondContact O-N 3.46Å; T69-Y72 PolarHBondContact O-N 3.09Å; D70-Y72 VanDerWaalsContact C-N 3.34Å; D70-Y72 PolarHBondContact O-N 2.91Å; Y72-M74 PolarHBondContact O-N 3.2Å; Y72-A76 HydrophobicContact CD2-CB 3.53Å; Y72-A76 HydrophobicContact CE2-CB 3.73Å; Y72-A76 HydrophobicContact CG-CB 4.29Å; Y72-A76 CarbonylContact O-C 3.55Å; Y72-A76 WeakPolarHBondContact O-CA 3.32Å; Y72-A76 PolarHBondContact O-N 2.95Å; Y72-R77 HydrophobicContact CD1-CB 4.37Å; Y72-R77 HydrophobicContact CE1-CB 4.05Å; Y72-R77 HydrophobicContact CE1-CG 4.47Å; Y72-R77 WeakPolarHBondContact O-CB 3.37Å; Y72-R77 PolarHBondContact O-N 3.4Å; Y72-I117 HydrophobicContact CD2-CG2 4.47Å; Y72-N120 HydrophobicContact CD1-CB 4.01Å; Y72-N120 HydrophobicContact CD2-CB 3.36Å; Y72-N120 HydrophobicContact CE1-CB 4.12Å; Y72-N120 HydrophobicContact CE2-CB 3.49Å; Y72-N120 VanDerWaalsContact CE2-CB 3.49Å; Y72-N120 HydrophobicContact CG-CB 3.63Å; Y72-N120 PolarHBondContact OH-O 3.49Å; Y72-S121 WeakPolarHBondContact OH-CA 3.34Å; Y72-H124 HydrophobicContact CE1-CB 4.47Å; Y72-H124 AromaticContact CZ-ND1 3.99Å; Y72-H124 WeakPolarHBondContact OH-CB 3.34Å; Y72-H124 VanDerWaalsContact OH-CG 3.27Å; Y72-H124 PolarHBondContact OH-ND1 2.7Å; Y72-L498 HydrophobicContact CD1-CD1 4.03Å; Y72-L498 HydrophobicContact CD1-CD2 3.85Å; Y72-L498 HydrophobicContact CE1-CD1 3.81Å; Y72-L498 HydrophobicContact CE1-CD2 4.47Å |
| 73 | N | 90.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.08 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -63.2 | -38.9 | -177 | -81.2 | -36.5 | 0 | 0 | 0 | 113 | T69 D70 R77 L498 S501 A502 | T69-N73 WeakPolarHBondContact O-CB 3.31Å; T69-N73 PolarHBondContact O-N 2.99Å; T69-N73 PolarHBondContact O-ND2 2.91Å; D70-N73 PolarHBondContact O-N 3.49Å; N73-R77 PolarHBondContact OD1-NH1 2.94Å; N73-L498 PolarHBondContact ND2-O 3.02Å; N73-L498 VanDerWaalsContact ND2-O 3.08Å; N73-S501 PolarHBondContact ND2-OG 3.21Å; N73-S501 VanDerWaalsContact ND2-OG 3.14Å; N73-A502 PolarHBondContact ND2-N 2.81Å |
| 74 | M | 89.5 | Confident | 91.2 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 24% | 0.241 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -84 | -36 | -176.7 | -66.7 | -174.7 | 68.3 | 0 | 0 | 113.5 | I60 F62 D70 Y72 L505 Q509 | I60-M74 HydrophobicContact CB-CE 4.46Å; I60-M74 HydrophobicContact CD1-CB 3.98Å; I60-M74 HydrophobicContact CD1-CE 4.16Å; I60-M74 HydrophobicContact CG1-CE 4.01Å; I60-M74 HydrophobicContact CG2-CE 3.59Å; I60-M74 HydrophobicContact CG2-SD 4.23Å; F62-M74 HydrophobicContact CE1-SD 3.81Å; F62-M74 HydrophobicContact CZ-CB 4.09Å; F62-M74 HydrophobicContact CZ-SD 4.03Å; D70-M74 WeakPolarHBondContact O-CB 3.34Å; D70-M74 WeakPolarHBondContact O-CG 3.13Å; D70-M74 PolarHBondContact O-N 3.41Å; Y72-M74 PolarHBondContact O-N 3.2Å; M74-L505 HydrophobicContact CG-CD1 4.3Å; M74-L505 HydrophobicContact CG-CD2 3.69Å; M74-L505 HydrophobicContact SD-CD1 3.98Å; M74-L505 HydrophobicContact SD-CD2 3.91Å; M74-L505 HydrophobicContact SD-CG 4.47Å; M74-Q509 VanDerWaalsContact CE-NE2 3.34Å |
| 75 | V | 92.6 | Very high | 91.4 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -104.3 | -53.7 | -172.9 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | A13 I60 F62 I71 A312 I314 | A13-V75 HydrophobicContact CB-CG1 4.46Å; A13-V75 HydrophobicContact CB-CG2 3.61Å; I60-V75 HydrophobicContact CD1-CG2 3.91Å; F62-V75 HydrophobicContact CE2-CG2 3.79Å; F62-V75 HydrophobicContact CZ-CG2 4.08Å; I71-V75 WeakPolarHBondContact O-CB 3.46Å; I71-V75 PolarHBondContact O-N 3.45Å; V75-A312 HydrophobicContact CG1-CB 3.79Å; V75-I314 HydrophobicContact CG1-CD1 4.04Å; V75-I314 HydrophobicContact CG1-CG1 3.99Å |
| 76 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -84.1 | -41 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y72 I79 V80 I91 I117 | Y72-A76 HydrophobicContact CD2-CB 3.53Å; Y72-A76 HydrophobicContact CE2-CB 3.73Å; Y72-A76 HydrophobicContact CG-CB 4.29Å; Y72-A76 CarbonylContact O-C 3.55Å; Y72-A76 WeakPolarHBondContact O-CA 3.32Å; Y72-A76 PolarHBondContact O-N 2.95Å; A76-I79 WeakPolarHBondContact O-CB 3.42Å; A76-I79 PolarHBondContact O-N 3.41Å; A76-V80 WeakPolarHBondContact O-CG2 3.36Å; A76-V80 PolarHBondContact O-N 3.21Å; A76-I91 HydrophobicContact CB-CD1 3.63Å; A76-I117 HydrophobicContact CB-CD1 4.48Å; A76-I117 HydrophobicContact CB-CG1 4.21Å; A76-I117 HydrophobicContact CB-CG2 3.67Å |
| 77 | R | 92.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 29 Ų | 29 | 22% | 0.223 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.5 | -49.3 | -176.4 | -174.2 | -179.3 | -173 | 161.6 | -0.4 | 112.6 | Y72 N73 I79 V80 D81 | Y72-R77 HydrophobicContact CD1-CB 4.37Å; Y72-R77 HydrophobicContact CE1-CB 4.05Å; Y72-R77 HydrophobicContact CE1-CG 4.47Å; Y72-R77 WeakPolarHBondContact O-CB 3.37Å; Y72-R77 PolarHBondContact O-N 3.4Å; N73-R77 PolarHBondContact OD1-NH1 2.94Å; R77-I79 VanDerWaalsContact C-N 3.25Å; R77-I79 PolarHBondContact O-N 3.47Å; R77-V80 PolarHBondContact O-N 3.42Å; R77-V80 VanDerWaalsContact O-N 3.12Å; R77-D81 VanDerWaalsContact O-CG 3.29Å; R77-D81 PolarHBondContact O-N 3.41Å |
| 78 | P | 93 | Very high | 92.1 | Very high | 47 Ų | 47 | 24.8 Ų | 24.8 | 31% | 0.305 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -61.7 | -32.1 | 178.2 | -21.9 | 34.3 | 0 | 0 | 0 | 113.5 | K82 | P78-K82 VanDerWaalsContact O-CG 3.27Å; P78-K82 WeakPolarHBondContact O-CG 3.47Å; P78-K82 PolarHBondContact O-N 2.95Å |
| 79 | I | 94.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -72.5 | -42.9 | 176.8 | -58 | -63.1 | 0 | 0 | 0 | 110.2 | A76 R77 K82 V83 I91 L241 K310 A312 | A76-I79 WeakPolarHBondContact O-CB 3.42Å; A76-I79 PolarHBondContact O-N 3.41Å; R77-I79 VanDerWaalsContact C-N 3.25Å; R77-I79 PolarHBondContact O-N 3.47Å; I79-K82 PolarHBondContact O-N 3.08Å; I79-V83 HydrophobicContact CG2-CG2 4.44Å; I79-V83 WeakPolarHBondContact O-CG2 3.31Å; I79-V83 PolarHBondContact O-N 3.26Å; I79-I91 HydrophobicContact CB-CD1 4.21Å; I79-I91 HydrophobicContact CB-CG1 4.3Å; I79-I91 HydrophobicContact CG1-CG1 4.45Å; I79-I91 HydrophobicContact CG2-CD1 4.26Å; I79-I91 HydrophobicContact CG2-CG1 4.04Å; I79-L241 HydrophobicContact CG2-CD1 4.17Å; I79-K310 HydrophobicContact CD1-CB 3.88Å; I79-A312 HydrophobicContact CD1-CB 4.46Å; I79-A312 HydrophobicContact CG1-CB 4.15Å |
| 80 | V | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 111 | A76 R77 K82 V83 L84 H124 I125 L241 | A76-V80 WeakPolarHBondContact O-CG2 3.36Å; A76-V80 PolarHBondContact O-N 3.21Å; R77-V80 PolarHBondContact O-N 3.42Å; R77-V80 VanDerWaalsContact O-N 3.12Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.84Å; V80-V83 PolarHBondContact O-N 2.79Å; V80-V83 VanDerWaalsContact O-N 3.14Å; V80-L84 HydrophobicContact CG1-CD1 4.24Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.26Å; V80-H124 HydrophobicContact CG1-CB 4.33Å; V80-H124 WeakPolarHBondContact CG1-ND1 3.46Å; V80-I125 HydrophobicContact CG1-CD1 4.5Å; V80-I125 HydrophobicContact CG1-CG1 3.76Å; V80-L241 HydrophobicContact CG2-CD2 3.99Å |
| 81 | D | 93.6 | Very high | 93 | Very high | 58 Ų | 58 | 23.1 Ų | 23.1 | 31% | 0.31 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 175.2 | -68.9 | -33.3 | 0 | 0 | 0 | 111.1 | R77 V83 L84 E85 H124 | R77-D81 VanDerWaalsContact O-CG 3.29Å; R77-D81 PolarHBondContact O-N 3.41Å; D81-V83 PolarHBondContact O-N 3.18Å; D81-L84 WeakPolarHBondContact O-CB 3.35Å; D81-L84 PolarHBondContact O-N 3.26Å; D81-E85 PolarHBondContact O-N 3.26Å; D81-E85 VanDerWaalsContact O-N 3.14Å; D81-H124 IonicContact OD1-CE1 3.18Å; D81-H124 PolarHBondContact OD1-CE1 3.25Å; D81-H124 IonicContact OD1-NE2 2.9Å; D81-H124 PolarHBondContact OD1-NE2 3Å |
| 82 | K | 92.9 | Very high | 93.1 | Very high | 72 Ų | 72 | 23.1 Ų | 23.1 | 31% | 0.313 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66.8 | -34.7 | 176.4 | -66.6 | -67.3 | 166.3 | -148.2 | 0 | 112.9 | P78 I79 V80 L84 E85 G86 Y87 | P78-K82 VanDerWaalsContact O-CG 3.27Å; P78-K82 WeakPolarHBondContact O-CG 3.47Å; P78-K82 PolarHBondContact O-N 2.95Å; I79-K82 PolarHBondContact O-N 3.08Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.84Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.48Å; K82-E85 WeakPolarHBondContact CD-OE2 3.3Å; K82-E85 IonicContact NZ-OE1 3.55Å; K82-E85 PolarHBondContact NZ-OE1 2.8Å; K82-E85 IonicContact NZ-OE2 2.7Å; K82-E85 PolarHBondContact NZ-OE2 3Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 2.87Å; K82-G86 PolarHBondContact O-N 3.36Å; K82-Y87 HydrophobicContact CB-CD2 4.03Å; K82-Y87 HydrophobicContact CB-CG 4.39Å; K82-Y87 HydrophobicContact CD-CD2 4.04Å; K82-Y87 HydrophobicContact CD-CE2 4.04Å; K82-Y87 WeakPolarHBondContact O-CB 3.28Å; K82-Y87 VanDerWaalsContact O-CD2 3.32Å; K82-Y87 WeakPolarHBondContact O-CD2 2.82Å; K82-Y87 PolarHBondContact O-N 2.95Å |
| 83 | V | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | 174.6 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | I79 V80 D81 E85 G86 Y87 I223 G239 L241 | I79-V83 HydrophobicContact CG2-CG2 4.44Å; I79-V83 WeakPolarHBondContact O-CG2 3.31Å; I79-V83 PolarHBondContact O-N 3.26Å; V80-V83 PolarHBondContact O-N 2.79Å; V80-V83 VanDerWaalsContact O-N 3.14Å; D81-V83 PolarHBondContact O-N 3.18Å; V83-E85 VanDerWaalsContact C-N 3.27Å; V83-E85 PolarHBondContact O-N 3.35Å; V83-G86 PolarHBondContact O-N 3.11Å; V83-Y87 WeakPolarHBondContact CA-O 3.26Å; V83-I223 HydrophobicContact CG1-CD1 4.12Å; V83-G239 WeakPolarHBondContact O-CA 3.42Å; V83-L241 HydrophobicContact CB-CB 4.47Å; V83-L241 HydrophobicContact CG1-CB 3.98Å; V83-L241 HydrophobicContact CG2-CB 4Å; V83-L241 HydrophobicContact CG2-CD1 4.12Å |
| 84 | L | 91.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 19% | 0.194 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -32.2 | 176 | -69 | 162.8 | 0 | 0 | 0 | 112.3 | V80 D81 K82 G86 I125 A128 I223 | V80-L84 HydrophobicContact CG1-CD1 4.24Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.26Å; D81-L84 WeakPolarHBondContact O-CB 3.35Å; D81-L84 PolarHBondContact O-N 3.26Å; K82-L84 VanDerWaalsContact C-N 3.3Å; K82-L84 PolarHBondContact O-N 3.48Å; L84-G86 PolarHBondContact O-N 3.46Å; L84-I125 HydrophobicContact CD2-CG2 4.33Å; L84-A128 HydrophobicContact CD1-CB 3.43Å; L84-A128 VanDerWaalsContact CD1-CB 3.43Å; L84-A128 HydrophobicContact CD2-CB 4.18Å; L84-A128 HydrophobicContact CG-CB 4.42Å; L84-I223 HydrophobicContact CD2-CD1 3.95Å |
| 85 | E | 90.6 | Very high | 93.5 | Very high | 76 Ų | 76 | 21 Ų | 21 | 36% | 0.355 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -69.9 | -14.1 | 171.6 | -67.9 | 172.1 | -150.7 | 0 | 0 | 113.5 | D81 K82 V83 Y87 R237 | D81-E85 PolarHBondContact O-N 3.26Å; D81-E85 VanDerWaalsContact O-N 3.14Å; K82-E85 WeakPolarHBondContact CD-OE2 3.3Å; K82-E85 IonicContact NZ-OE1 3.55Å; K82-E85 PolarHBondContact NZ-OE1 2.8Å; K82-E85 IonicContact NZ-OE2 2.7Å; K82-E85 PolarHBondContact NZ-OE2 3Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 2.87Å; V83-E85 VanDerWaalsContact C-N 3.27Å; V83-E85 PolarHBondContact O-N 3.35Å; E85-Y87 HydrophobicContact CB-CD2 4.15Å; E85-Y87 HydrophobicContact CB-CE2 4.35Å; E85-R237 WeakPolarHBondContact O-CD 3.36Å |
| 86 | G | 90.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 15.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K82 V83 L84 Q238 N347 | K82-G86 PolarHBondContact O-N 3.36Å; V83-G86 PolarHBondContact O-N 3.11Å; L84-G86 PolarHBondContact O-N 3.46Å; G86-Q238 CarbonylContact C-O 3.58Å; G86-N347 PolarHBondContact O-N 3.34Å; G86-N347 PolarHBondContact O-ND2 2.88Å |
| 87 | Y | 92.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 24 Ų | 24 | 15% | 0.145 | 12% | 0.118 | C | C | . | . | trans | -82.7 | 159.1 | 169.2 | -68.4 | -89.7 | 0 | 0 | 0 | 111.5 | K82 V83 E85 G239 K240 A344 I346 | K82-Y87 HydrophobicContact CB-CD2 4.03Å; K82-Y87 HydrophobicContact CB-CG 4.39Å; K82-Y87 HydrophobicContact CD-CD2 4.04Å; K82-Y87 HydrophobicContact CD-CE2 4.04Å; K82-Y87 WeakPolarHBondContact O-CB 3.28Å; K82-Y87 VanDerWaalsContact O-CD2 3.32Å; K82-Y87 WeakPolarHBondContact O-CD2 2.82Å; K82-Y87 PolarHBondContact O-N 2.95Å; V83-Y87 WeakPolarHBondContact CA-O 3.26Å; E85-Y87 HydrophobicContact CB-CD2 4.15Å; E85-Y87 HydrophobicContact CB-CE2 4.35Å; Y87-G239 VanDerWaalsContact O-CA 3.25Å; Y87-G239 WeakPolarHBondContact O-CA 3.48Å; Y87-K240 PolarHBondContact O-N 3.45Å; Y87-A344 HydrophobicContact CD1-CB 4.04Å; Y87-A344 HydrophobicContact CE1-CB 4.41Å; Y87-I346 HydrophobicContact CD1-CG1 4.21Å; Y87-I346 HydrophobicContact CD2-CG1 3.95Å; Y87-I346 HydrophobicContact CE1-CG1 3.68Å; Y87-I346 HydrophobicContact CE2-CD1 3.83Å; Y87-I346 HydrophobicContact CE2-CG1 3.39Å; Y87-I346 HydrophobicContact CG-CG1 4.34Å; Y87-I346 WeakPolarHBondContact OH-CG1 3.38Å | ||
| 88 | N | 93 | Very high | 92.8 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.6 | 160.6 | -59.3 | -35.3 | 0 | 0 | 0 | 109.3 | K240 N308 S309 K310 N347 | N88-K240 CarbonylContact C-O 3.54Å; N88-K240 WeakPolarHBondContact CA-O 3.34Å; N88-K240 WeakPolarHBondContact OD1-CB 3.36Å; N88-N308 VanDerWaalsContact CB-O 3.25Å; N88-N308 WeakPolarHBondContact CB-O 3.46Å; N88-N308 PolarHBondContact ND2-ND2 3.4Å; N88-N308 PolarHBondContact ND2-O 2.7Å; N88-S309 CarbonylContact O-C 3.54Å; N88-S309 WeakPolarHBondContact O-CA 3.33Å; N88-K310 PolarHBondContact O-N 2.73Å; N88-N347 PolarHBondContact OD1-ND2 3.45Å |
| 89 | G | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K240 L241 H242 K310 | G89-K240 PolarHBondContact N-O 2.94Å; G89-L241 CarbonylContact O-C 3.54Å; G89-L241 VanDerWaalsContact O-CA 3.32Å; G89-L241 WeakPolarHBondContact O-CA 3.28Å; G89-H242 PolarHBondContact O-N 2.92Å; G89-K310 CarbonylContact C-O 3.54Å; G89-K310 VanDerWaalsContact CA-O 3.26Å; G89-K310 WeakPolarHBondContact CA-O 3.26Å |
| 90 | T | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.4 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | F92 H242 V244 L301 S304 S309 K310 T311 A312 | T90-F92 HydrophobicContact CG2-CD1 4.07Å; T90-H242 CarbonylContact C-O 3.6Å; T90-H242 WeakPolarHBondContact CA-O 3.2Å; T90-H242 HydrophobicContact CG2-CB 4.02Å; T90-V244 HydrophobicContact CG2-CG2 4.35Å; T90-L301 HydrophobicContact CG2-CD2 4.32Å; T90-S304 WeakPolarHBondContact OG1-CB 3.41Å; T90-S304 PolarHBondContact OG1-OG 3.27Å; T90-S309 PolarHBondContact N-OG 3.24Å; T90-S309 PolarHBondContact OG1-OG 3Å; T90-K310 PolarHBondContact N-O 3.07Å; T90-T311 HydrophobicContact CG2-CG2 4.42Å; T90-T311 CarbonylContact O-C 3.46Å; T90-T311 WeakPolarHBondContact O-CA 3.36Å; T90-A312 PolarHBondContact O-N 2.81Å |
| 91 | I | 97.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.6 | 172.7 | -53.3 | 171.1 | 0 | 0 | 0 | 107.3 | A76 I79 M105 I117 L241 H242 L243 V244 A312 I314 | A76-I91 HydrophobicContact CB-CD1 3.63Å; I79-I91 HydrophobicContact CB-CD1 4.21Å; I79-I91 HydrophobicContact CB-CG1 4.3Å; I79-I91 HydrophobicContact CG1-CG1 4.45Å; I79-I91 HydrophobicContact CG2-CD1 4.26Å; I79-I91 HydrophobicContact CG2-CG1 4.04Å; I91-M105 HydrophobicContact CG2-SD 4.5Å; I91-I117 HydrophobicContact CD1-CG2 4.06Å; I91-I117 HydrophobicContact CG2-CD1 4.13Å; I91-I117 HydrophobicContact CG2-CG2 4.44Å; I91-L241 HydrophobicContact CD1-CD1 4.24Å; I91-L241 HydrophobicContact CG1-CD1 4.38Å; I91-H242 PolarHBondContact N-O 3.47Å; I91-L243 HydrophobicContact CB-CD2 4.07Å; I91-L243 HydrophobicContact CD1-CD2 4.01Å; I91-L243 HydrophobicContact CG1-CD2 4.37Å; I91-V244 PolarHBondContact O-N 2.92Å; I91-A312 WeakPolarHBondContact CA-O 3.25Å; I91-I314 HydrophobicContact CG2-CD1 4.17Å |
| 92 | F | 95.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138 | 179 | 65.6 | -95.5 | 0 | 0 | 0 | 112.7 | T90 V244 L246 L305 T311 A312 M313 I314 | T90-F92 HydrophobicContact CG2-CD1 4.07Å; F92-V244 VanDerWaalsContact CA-O 3.28Å; F92-V244 WeakPolarHBondContact CA-O 3.23Å; F92-V244 HydrophobicContact CB-CB 3.63Å; F92-V244 HydrophobicContact CB-CG1 4.23Å; F92-V244 HydrophobicContact CB-CG2 4.28Å; F92-L246 HydrophobicContact CD2-CD1 3.82Å; F92-L246 HydrophobicContact CE2-CD1 4.45Å; F92-L305 HydrophobicContact CE1-CD2 4.09Å; F92-L305 HydrophobicContact CZ-CD2 4.17Å; F92-T311 HydrophobicContact CD1-CG2 4.06Å; F92-T311 HydrophobicContact CE1-CG2 3.52Å; F92-A312 PolarHBondContact N-O 3.46Å; F92-A312 VanDerWaalsContact N-O 3.07Å; F92-M313 HydrophobicContact CD2-CB 4.36Å; F92-M313 HydrophobicContact CD2-CG 4.08Å; F92-M313 HydrophobicContact CE1-CB 4.24Å; F92-M313 HydrophobicContact CE2-CB 3.7Å; F92-M313 HydrophobicContact CE2-CG 3.43Å; F92-M313 VanDerWaalsContact CE2-CG 3.43Å; F92-M313 HydrophobicContact CE2-SD 3.89Å; F92-M313 HydrophobicContact CZ-CB 3.64Å; F92-M313 HydrophobicContact CZ-CG 3.88Å; F92-M313 HydrophobicContact CZ-SD 4.24Å; F92-I314 PolarHBondContact O-N 3.14Å |
| 93 | A | 95.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K101 M105 V244 L246 I314 | A93-K101 HydrophobicContact CB-CB 3.98Å; A93-K101 HydrophobicContact CB-CG 4.29Å; A93-M105 HydrophobicContact CB-CG 3.64Å; A93-M105 HydrophobicContact CB-SD 4.07Å; A93-V244 PolarHBondContact N-O 3.35Å; A93-L246 WeakPolarHBondContact O-CB 3.5Å; A93-L246 PolarHBondContact O-N 2.94Å; A93-I314 CarbonylContact C-O 3.48Å; A93-I314 WeakPolarHBondContact CA-O 3.27Å |
| 94 | Y | 93.7 | Very high | 92.2 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 7% | 0.071 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.7 | -176.8 | 178.5 | -93.5 | 0 | 0 | 0 | 111.1 | L246 S249 L272 M313 I314 A315 N316 T330 Y333 | Y94-L246 HydrophobicContact CD2-CD1 3.9Å; Y94-S249 WeakPolarHBondContact OH-CB 3.42Å; Y94-L272 HydrophobicContact CD2-CD2 4.48Å; Y94-L272 HydrophobicContact CE2-CD2 4.19Å; Y94-M313 HydrophobicContact CD1-CE 3.43Å; Y94-M313 VanDerWaalsContact CD1-CE 3.43Å; Y94-M313 HydrophobicContact CE1-CE 4.31Å; Y94-M313 HydrophobicContact CG-CE 3.68Å; Y94-I314 PolarHBondContact N-O 3.4Å; Y94-A315 CarbonylContact O-C 3.54Å; Y94-A315 WeakPolarHBondContact O-CA 3.29Å; Y94-N316 PolarHBondContact O-N 3.43Å; Y94-T330 HydrophobicContact CD1-CG2 4Å; Y94-T330 HydrophobicContact CE1-CG2 4.14Å; Y94-Y333 HydrophobicContact CD1-CD1 4.02Å; Y94-Y333 HydrophobicContact CD1-CE1 4.4Å; Y94-Y333 HydrophobicContact CD2-CE1 4.36Å; Y94-Y333 AromaticContact CE1-CD1 3.69Å; Y94-Y333 HydrophobicContact CE1-CD1 3.69Å; Y94-Y333 HydrophobicContact CE1-CD2 4.34Å; Y94-Y333 HydrophobicContact CE1-CE1 4.22Å; Y94-Y333 AromaticContact CE1-CG 3.75Å; Y94-Y333 HydrophobicContact CE1-CG 3.75Å; Y94-Y333 HydrophobicContact CE2-CD1 4.43Å; Y94-Y333 HydrophobicContact CE2-CE1 4.16Å; Y94-Y333 HydrophobicContact CE2-CE2 4.41Å; Y94-Y333 HydrophobicContact CG-CE1 4.47Å; Y94-Y333 AromaticContact CZ-CD1 3.91Å; Y94-Y333 AromaticContact CZ-CD2 3.96Å; Y94-Y333 AromaticContact CZ-CG 3.83Å |
| 95 | G | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 147.3 | 173.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | K101 S249 | G95-K101 WeakPolarHBondContact O-CD 3.44Å; G95-K101 WeakPolarHBondContact O-CE 3.46Å; G95-K101 PolarHBondContact O-NZ 3.39Å; G95-S249 WeakPolarHBondContact CA-OG 3.32Å; G95-S249 PolarHBondContact O-N 3.15Å; G95-S249 PolarHBondContact O-OG 3.03Å |
| 96 | Q | 89.9 | Confident | 92.4 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -64.2 | 161.4 | -179.1 | 69.6 | 178.4 | 105.3 | 0 | 0 | 112.2 | G98 T99 K101 S249 E250 N323 E326 | Q96-G98 PolarHBondContact O-N 3.09Å; Q96-T99 HydrophobicContact CG-CG2 3.3Å; Q96-T99 PolarHBondContact O-N 3.25Å; Q96-T99 PolarHBondContact O-OG1 3.08Å; Q96-K101 VanDerWaalsContact C-NZ 3.28Å; Q96-K101 PolarHBondContact O-NZ 2.84Å; Q96-S249 PolarHBondContact N-OG 3.32Å; Q96-S249 VanDerWaalsContact N-OG 3.09Å; Q96-E250 VanDerWaalsContact CA-OE2 3.25Å; Q96-E250 WeakPolarHBondContact CA-OE2 3.35Å; Q96-E250 HydrophobicContact CB-CB 4.13Å; Q96-N323 VanDerWaalsContact NE2-CG 3.3Å; Q96-N323 PolarHBondContact NE2-OD1 3.45Å; Q96-E326 HydrophobicContact CB-CB 4.31Å; Q96-E326 HydrophobicContact CG-CB 4.43Å |
| 97 | T | 87.8 | Confident | 92.4 | Very high | 57 Ų | 57 | 20 Ų | 20 | 35% | 0.35 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.5 | 172.5 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | S213 G248 E250 | T97-S213 WeakPolarHBondContact OG1-CB 3.46Å; T97-G248 WeakPolarHBondContact OG1-CA 3.41Å; T97-E250 WeakPolarHBondContact CB-OE1 3.4Å; T97-E250 PolarHBondContact N-OE2 3.39Å; T97-E250 PolarHBondContact OG1-OE1 2.97Å; T97-E250 PolarHBondContact OG1-OE2 3.14Å |
| 98 | G | 86.4 | Confident | 92.1 | Very high | 51 Ų | 51 | 21.3 Ų | 21.3 | 53% | 0.526 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4.2 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | R17 Q96 G100 | R17-G98 WeakPolarHBondContact CD-O 3.44Å; R17-G98 PolarHBondContact NE-O 3.36Å; Q96-G98 PolarHBondContact O-N 3.09Å; G98-G100 VanDerWaalsContact C-N 3.3Å |
| 99 | T | 89.6 | Confident | 91.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -83.9 | -1.5 | 173.1 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | Q96 N316 | Q96-T99 HydrophobicContact CG-CG2 3.3Å; Q96-T99 PolarHBondContact O-N 3.25Å; Q96-T99 PolarHBondContact O-OG1 3.08Å; T99-N316 VanDerWaalsContact CB-O 3.29Å; T99-N316 WeakPolarHBondContact CB-O 3.31Å; T99-N316 VanDerWaalsContact OG1-CB 3.26Å; T99-N316 WeakPolarHBondContact OG1-CB 3.5Å; T99-N316 PolarHBondContact OG1-O 3.35Å |
| 100 | G | 90.6 | Very high | 90.9 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 93.6 | 28.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G98 F103 T104 | G98-G100 VanDerWaalsContact C-N 3.3Å; G100-F103 PolarHBondContact O-N 3.32Å; G100-T104 WeakPolarHBondContact O-CB 3.22Å; G100-T104 PolarHBondContact O-N 2.8Å; G100-T104 PolarHBondContact O-OG1 3.29Å |
| 101 | K | 92.7 | Very high | 90.4 | Very high | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.2 | -59.5 | 171.2 | -63.6 | -173.1 | -65.6 | -73 | 0 | 112.2 | A93 G95 Q96 F103 T104 M105 D245 L246 N316 | A93-K101 HydrophobicContact CB-CB 3.98Å; A93-K101 HydrophobicContact CB-CG 4.29Å; G95-K101 WeakPolarHBondContact O-CD 3.44Å; G95-K101 WeakPolarHBondContact O-CE 3.46Å; G95-K101 PolarHBondContact O-NZ 3.39Å; Q96-K101 VanDerWaalsContact C-NZ 3.28Å; Q96-K101 PolarHBondContact O-NZ 2.84Å; K101-F103 VanDerWaalsContact C-N 3.26Å; K101-F103 PolarHBondContact O-N 3.41Å; K101-T104 WeakPolarHBondContact O-CA 3.49Å; K101-T104 VanDerWaalsContact O-CB 3.32Å; K101-T104 WeakPolarHBondContact O-CB 3.44Å; K101-T104 PolarHBondContact O-N 3.36Å; K101-M105 PolarHBondContact O-N 3Å; K101-D245 WeakPolarHBondContact CB-OD1 3.42Å; K101-L246 WeakPolarHBondContact CE-O 3.41Å; K101-N316 HydrophobicContact CG-CB 4.14Å |
| 102 | T | 91 | Very high | 89.6 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 39% | 0.387 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -34.7 | 176.2 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | T104 M105 E106 G107 D245 | T102-T104 VanDerWaalsContact C-N 3.33Å; T102-T104 PolarHBondContact O-N 3.49Å; T102-M105 PolarHBondContact O-N 3.29Å; T102-E106 HydrophobicContact CG2-CB 4.45Å; T102-E106 WeakPolarHBondContact O-CA 3.4Å; T102-E106 WeakPolarHBondContact O-CB 3.5Å; T102-E106 PolarHBondContact O-N 3.33Å; T102-G107 PolarHBondContact O-N 3.21Å; T102-D245 WeakPolarHBondContact CB-OD2 3.39Å; T102-D245 PolarHBondContact OG1-OD2 3Å |
| 103 | F | 92.6 | Very high | 89 | Confident | 76 Ų | 76 | 42.3 Ų | 42.3 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 172 | -176.4 | -104 | 0 | 0 | 0 | 111.8 | Q68 G100 K101 G107 I108 | Q68-F103 HydrophobicContact CG-CE1 4.09Å; Q68-F103 HydrophobicContact CG-CZ 4.18Å; Q68-F103 PolarHBondContact NE2-O 2.91Å; G100-F103 PolarHBondContact O-N 3.32Å; K101-F103 VanDerWaalsContact C-N 3.26Å; K101-F103 PolarHBondContact O-N 3.41Å; F103-G107 WeakPolarHBondContact O-CA 3.45Å; F103-G107 PolarHBondContact O-N 3.11Å; F103-I108 HydrophobicContact CE2-CD1 4.26Å; F103-I108 HydrophobicContact CE2-CG1 4.22Å |
| 104 | T | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | R15 I71 G100 K101 T102 G116 I117 I314 N316 | R15-T104 PolarHBondContact NH1-OG1 2.92Å; I71-T104 HydrophobicContact CG2-CG2 4.37Å; G100-T104 WeakPolarHBondContact O-CB 3.22Å; G100-T104 PolarHBondContact O-N 2.8Å; G100-T104 PolarHBondContact O-OG1 3.29Å; K101-T104 WeakPolarHBondContact O-CA 3.49Å; K101-T104 VanDerWaalsContact O-CB 3.32Å; K101-T104 WeakPolarHBondContact O-CB 3.44Å; K101-T104 PolarHBondContact O-N 3.36Å; T102-T104 VanDerWaalsContact C-N 3.33Å; T102-T104 PolarHBondContact O-N 3.49Å; T104-G116 WeakPolarHBondContact O-CA 3.34Å; T104-I117 HydrophobicContact CG2-CD1 3.97Å; T104-I117 PolarHBondContact O-N 2.82Å; T104-I314 HydrophobicContact CG2-CD1 3.93Å; T104-I314 HydrophobicContact CG2-CG2 4.04Å; T104-N316 PolarHBondContact OG1-ND2 3.29Å |
| 105 | M | 94.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.5 | -49 | -177.4 | -67.8 | -58.6 | -69.8 | 0 | 0 | 112.1 | I91 A93 K101 T102 G116 I117 I118 L243 D245 | I91-M105 HydrophobicContact CG2-SD 4.5Å; A93-M105 HydrophobicContact CB-CG 3.64Å; A93-M105 HydrophobicContact CB-SD 4.07Å; K101-M105 PolarHBondContact O-N 3Å; T102-M105 PolarHBondContact O-N 3.29Å; M105-G116 CarbonylContact O-C 3.59Å; M105-I117 PolarHBondContact O-N 2.96Å; M105-I117 HydrophobicContact SD-CD1 4.29Å; M105-I118 HydrophobicContact CB-CD1 3.89Å; M105-I118 HydrophobicContact CB-CG1 4.37Å; M105-I118 HydrophobicContact CE-CD1 4.3Å; M105-I118 HydrophobicContact CE-CG1 4.12Å; M105-I118 VanDerWaalsContact O-CB 3.3Å; M105-I118 WeakPolarHBondContact O-CB 3.42Å; M105-I118 WeakPolarHBondContact O-CG1 3.47Å; M105-I118 PolarHBondContact O-N 3.48Å; M105-L243 HydrophobicContact CE-CB 3.75Å; M105-L243 HydrophobicContact CE-CD2 4.38Å; M105-D245 HydrophobicContact CG-CB 4.32Å |
| 106 | E | 91.5 | Very high | 88.6 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -44.8 | -174.6 | -167.9 | 174.4 | 161.9 | 0 | 0 | 112.5 | T102 R109 G116 P119 N198 | T102-E106 HydrophobicContact CG2-CB 4.45Å; T102-E106 WeakPolarHBondContact O-CA 3.4Å; T102-E106 WeakPolarHBondContact O-CB 3.5Å; T102-E106 PolarHBondContact O-N 3.33Å; E106-R109 HydrophobicContact CG-CG 4.49Å; E106-R109 IonicContact OE1-CZ 3.46Å; E106-R109 IonicContact OE1-NE 3.61Å; E106-R109 PolarHBondContact OE1-NE 3.34Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 2.9Å; E106-R109 IonicContact OE2-NH2 4Å; E106-G116 WeakPolarHBondContact O-CA 3.3Å; E106-G116 PolarHBondContact O-N 2.98Å; E106-P119 WeakPolarHBondContact O-CG 3.46Å; E106-N198 PolarHBondContact OE1-ND2 3.48Å; E106-N198 PolarHBondContact OE2-ND2 3.04Å |
| 107 | G | 89.8 | Confident | 88.8 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | 64.3 | -154.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | T102 F103 L114 | T102-G107 PolarHBondContact O-N 3.21Å; F103-G107 WeakPolarHBondContact O-CA 3.45Å; F103-G107 PolarHBondContact O-N 3.11Å; G107-L114 WeakPolarHBondContact CA-O 3.41Å |
| 108 | I | 87.7 | Confident | 89.1 | Confident | 65 Ų | 65 | 44.7 Ų | 44.7 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | trans | -101.5 | 108.6 | 176.7 | -64 | 170.3 | 0 | 0 | 0 | 108.6 | F103 S110 E111 L114 | F103-I108 HydrophobicContact CE2-CD1 4.26Å; F103-I108 HydrophobicContact CE2-CG1 4.22Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 VanDerWaalsContact CG2-OG 3.31Å; I108-S110 WeakPolarHBondContact CG2-OG 3.45Å; I108-S110 PolarHBondContact O-N 2.78Å; I108-E111 HydrophobicContact CG2-CB 4.11Å; I108-E111 HydrophobicContact CG2-CG 4.15Å; I108-E111 PolarHBondContact O-N 3.46Å; I108-E111 VanDerWaalsContact O-O 3.1Å; I108-L114 HydrophobicContact CB-CB 3.93Å; I108-L114 HydrophobicContact CD1-CB 4.45Å; I108-L114 HydrophobicContact CD1-CD1 3.73Å; I108-L114 HydrophobicContact CG1-CB 4.5Å; I108-L114 PolarHBondContact N-O 3.35Å | ||
| 109 | R | 80.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.7 | -172.7 | -59.3 | -170.5 | -170.8 | -169.7 | 10.9 | 114 | E106 E111 R115 D191 S195 N198 | E106-R109 HydrophobicContact CG-CG 4.49Å; E106-R109 IonicContact OE1-CZ 3.46Å; E106-R109 IonicContact OE1-NE 3.61Å; E106-R109 PolarHBondContact OE1-NE 3.34Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 2.9Å; E106-R109 IonicContact OE2-NH2 4Å; R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 PolarHBondContact O-N 2.85Å; R109-R115 PolarHBondContact O-NE 2.92Å; R109-R115 VanDerWaalsContact O-NE 3.07Å; R109-R115 PolarHBondContact O-NH2 3.04Å; R109-D191 PolarHBondContact NH1-O 2.75Å; R109-D191 VanDerWaalsContact NH1-O 3.14Å; R109-S195 PolarHBondContact NH1-OG 2.8Å; R109-N198 PolarHBondContact NH2-ND2 2.66Å |
| 110 | S | 80.8 | Confident | 89.5 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 69% | 0.692 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -25 | -178 | 49.5 | 0 | 0 | 0 | 0 | 113 | I108 | I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 VanDerWaalsContact CG2-OG 3.31Å; I108-S110 WeakPolarHBondContact CG2-OG 3.45Å; I108-S110 PolarHBondContact O-N 2.78Å |
| 111 | E | 85.2 | Confident | 89.6 | Confident | 100 Ų | 100 | 41.8 Ų | 41.8 | 47% | 0.467 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -109.5 | 110.2 | -175.3 | -70.1 | -173.3 | -161.8 | 0 | 0 | 110.1 | I108 R109 E113 L114 R115 | I108-E111 HydrophobicContact CG2-CB 4.11Å; I108-E111 HydrophobicContact CG2-CG 4.15Å; I108-E111 PolarHBondContact O-N 3.46Å; I108-E111 VanDerWaalsContact O-O 3.1Å; R109-E111 VanDerWaalsContact C-N 3.27Å; R109-E111 PolarHBondContact O-N 2.85Å; E111-E113 PolarHBondContact O-N 3.27Å; E111-E113 VanDerWaalsContact O-N 3.1Å; E111-L114 HydrophobicContact CB-CB 4.11Å; E111-L114 HydrophobicContact CB-CG 4.37Å; E111-L114 PolarHBondContact O-N 2.9Å; E111-L114 WeakPolarHBondContact OE2-CD1 3.37Å; E111-R115 PolarHBondContact O-N 2.96Å; E111-R115 VanDerWaalsContact O-N 3.16Å |
| 112 | P | 81.4 | Confident | 89.6 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 36% | 0.357 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34 | -175.2 | -28.7 | 35.8 | 0 | 0 | 0 | 114.7 | L497 | P112-L497 HydrophobicContact CB-CD1 4.46Š|
| 113 | E | 83.1 | Confident | 89.5 | Confident | 141 Ų | 141 | 38.8 Ų | 38.8 | 66% | 0.659 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -24.1 | -179.8 | -61.5 | -175.4 | 177.4 | 0 | 0 | 113.4 | E111 | E111-E113 PolarHBondContact O-N 3.27Å; E111-E113 VanDerWaalsContact O-N 3.1Å |
| 114 | L | 87.6 | Confident | 89.4 | Confident | 55 Ų | 55 | 35.8 Ų | 35.8 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 2.2 | -179 | -61.5 | -171.6 | 0 | 0 | 0 | 113.4 | Q68 G107 I108 E111 G116 | Q68-L114 PolarHBondContact NE2-O 3.24Å; Q68-L114 VanDerWaalsContact NE2-O 3.13Å; G107-L114 WeakPolarHBondContact CA-O 3.41Å; I108-L114 HydrophobicContact CB-CB 3.93Å; I108-L114 HydrophobicContact CD1-CB 4.45Å; I108-L114 HydrophobicContact CD1-CD1 3.73Å; I108-L114 HydrophobicContact CG1-CB 4.5Å; I108-L114 PolarHBondContact N-O 3.35Å; E111-L114 HydrophobicContact CB-CB 4.11Å; E111-L114 HydrophobicContact CB-CG 4.37Å; E111-L114 PolarHBondContact O-N 2.9Å; E111-L114 WeakPolarHBondContact OE2-CD1 3.37Å; L114-G116 PolarHBondContact O-N 3.33Å |
| 115 | R | 90.7 | Very high | 89.2 | Confident | 69 Ų | 69 | 35.8 Ų | 35.8 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | B | Isolated β-bridge | trans | -58 | 129.7 | 172.3 | -80.8 | 177.9 | -177 | 173.3 | -4 | 110.8 | Q68 R109 E111 P119 N120 | Q68-R115 VanDerWaalsContact CB-O 3.3Å; Q68-R115 WeakPolarHBondContact CB-O 3Å; R109-R115 PolarHBondContact O-NE 2.92Å; R109-R115 VanDerWaalsContact O-NE 3.07Å; R109-R115 PolarHBondContact O-NH2 3.04Å; E111-R115 PolarHBondContact O-N 2.96Å; E111-R115 VanDerWaalsContact O-N 3.16Å; R115-P119 HydrophobicContact CB-CB 4.42Å; R115-P119 HydrophobicContact CB-CG 3.83Å; R115-P119 HydrophobicContact CG-CB 4.31Å; R115-P119 HydrophobicContact CG-CG 4.08Å; R115-N120 PolarHBondContact O-ND2 3.46Å |
| 116 | G | 92.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -76.8 | -166.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T104 M105 E106 L114 I118 P119 N120 | T104-G116 WeakPolarHBondContact O-CA 3.34Å; M105-G116 CarbonylContact O-C 3.59Å; E106-G116 WeakPolarHBondContact O-CA 3.3Å; E106-G116 PolarHBondContact O-N 2.98Å; L114-G116 PolarHBondContact O-N 3.33Å; G116-I118 PolarHBondContact O-N 3.42Å; G116-P119 WeakPolarHBondContact O-CD 3.45Å; G116-N120 WeakPolarHBondContact O-CB 3.22Å; G116-N120 PolarHBondContact O-N 3.34Å; G116-N120 PolarHBondContact O-ND2 2.95Å | ||
| 117 | I | 95.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | -176.9 | -69.3 | 169.8 | 0 | 0 | 0 | 112.1 | I71 Y72 A76 I91 T104 M105 N120 S121 L243 I314 | I71-I117 HydrophobicContact CG2-CD1 4.35Å; Y72-I117 HydrophobicContact CD2-CG2 4.47Å; A76-I117 HydrophobicContact CB-CD1 4.48Å; A76-I117 HydrophobicContact CB-CG1 4.21Å; A76-I117 HydrophobicContact CB-CG2 3.67Å; I91-I117 HydrophobicContact CD1-CG2 4.06Å; I91-I117 HydrophobicContact CG2-CD1 4.13Å; I91-I117 HydrophobicContact CG2-CG2 4.44Å; T104-I117 HydrophobicContact CG2-CD1 3.97Å; T104-I117 PolarHBondContact O-N 2.82Å; M105-I117 PolarHBondContact O-N 2.96Å; M105-I117 HydrophobicContact SD-CD1 4.29Å; I117-N120 PolarHBondContact O-N 3.27Å; I117-S121 WeakPolarHBondContact O-CB 3.46Å; I117-S121 PolarHBondContact O-N 2.86Å; I117-S121 PolarHBondContact O-OG 2.83Å; I117-L243 HydrophobicContact CG2-CD2 4.16Å; I117-I314 HydrophobicContact CD1-CD1 3.13Å |
| 118 | I | 94.7 | Very high | 88.4 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -58.3 | -174.6 | -61.7 | 164.1 | 0 | 0 | 0 | 112.9 | M105 G116 N120 S121 F122 M194 L243 | M105-I118 HydrophobicContact CB-CD1 3.89Å; M105-I118 HydrophobicContact CB-CG1 4.37Å; M105-I118 HydrophobicContact CE-CD1 4.3Å; M105-I118 HydrophobicContact CE-CG1 4.12Å; M105-I118 VanDerWaalsContact O-CB 3.3Å; M105-I118 WeakPolarHBondContact O-CB 3.42Å; M105-I118 WeakPolarHBondContact O-CG1 3.47Å; M105-I118 PolarHBondContact O-N 3.48Å; G116-I118 PolarHBondContact O-N 3.42Å; I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 PolarHBondContact O-N 2.96Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 2.83Å; I118-S121 VanDerWaalsContact O-N 3.14Å; I118-F122 HydrophobicContact CG2-CD1 4.29Å; I118-F122 HydrophobicContact CG2-CD2 4.39Å; I118-F122 HydrophobicContact CG2-CE1 3.49Å; I118-F122 VanDerWaalsContact CG2-CE1 3.49Å; I118-F122 HydrophobicContact CG2-CE2 3.62Å; I118-F122 HydrophobicContact CG2-CZ 3.12Å; I118-F122 WeakPolarHBondContact O-CD1 3.39Å; I118-F122 WeakPolarHBondContact O-CG 3.24Å; I118-F122 PolarHBondContact O-N 3.45Å; I118-M194 HydrophobicContact CD1-CE 4.06Å; I118-M194 HydrophobicContact CG2-CE 3.66Å; I118-L243 HydrophobicContact CB-CD1 4.14Å; I118-L243 HydrophobicContact CG1-CB 4.05Å; I118-L243 HydrophobicContact CG1-CD1 3.78Å; I118-L243 HydrophobicContact CG1-CG 4.44Å; I118-L243 HydrophobicContact CG2-CD1 4.03Å |
| 119 | P | 91.9 | Very high | 88.3 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -33.4 | 179.6 | 23.9 | -34.7 | 0 | 0 | 0 | 112.7 | E106 R115 G116 F122 A123 | E106-P119 WeakPolarHBondContact O-CG 3.46Å; R115-P119 HydrophobicContact CB-CB 4.42Å; R115-P119 HydrophobicContact CB-CG 3.83Å; R115-P119 HydrophobicContact CG-CB 4.31Å; R115-P119 HydrophobicContact CG-CG 4.08Å; G116-P119 WeakPolarHBondContact O-CD 3.45Å; P119-F122 PolarHBondContact O-N 3.31Å; P119-A123 PolarHBondContact O-N 2.9Å |
| 120 | N | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.8 | -38.1 | 174.8 | -75.3 | -46 | 0 | 0 | 0 | 112 | Y72 R115 G116 I117 I118 F122 A123 H124 Q494 | Y72-N120 HydrophobicContact CD1-CB 4.01Å; Y72-N120 HydrophobicContact CD2-CB 3.36Å; Y72-N120 HydrophobicContact CE1-CB 4.12Å; Y72-N120 HydrophobicContact CE2-CB 3.49Å; Y72-N120 VanDerWaalsContact CE2-CB 3.49Å; Y72-N120 HydrophobicContact CG-CB 3.63Å; Y72-N120 PolarHBondContact OH-O 3.49Å; R115-N120 PolarHBondContact O-ND2 3.46Å; G116-N120 WeakPolarHBondContact O-CB 3.22Å; G116-N120 PolarHBondContact O-N 3.34Å; G116-N120 PolarHBondContact O-ND2 2.95Å; I117-N120 PolarHBondContact O-N 3.27Å; I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 PolarHBondContact O-N 2.96Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 2.91Å; N120-A123 PolarHBondContact O-N 3.34Å; N120-H124 WeakPolarHBondContact O-CB 3.42Å; N120-H124 PolarHBondContact O-N 2.88Å; N120-Q494 PolarHBondContact OD1-NE2 3.13Å |
| 121 | S | 93.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 172.9 | -70 | 0 | 0 | 0 | 0 | 111.3 | Y72 I117 I118 H124 I125 | Y72-S121 WeakPolarHBondContact OH-CA 3.34Å; I117-S121 WeakPolarHBondContact O-CB 3.46Å; I117-S121 PolarHBondContact O-N 2.86Å; I117-S121 PolarHBondContact O-OG 2.83Å; I118-S121 WeakPolarHBondContact O-CB 3.38Å; I118-S121 PolarHBondContact O-N 2.83Å; I118-S121 VanDerWaalsContact O-N 3.14Å; S121-H124 PolarHBondContact O-N 3.45Å; S121-I125 WeakPolarHBondContact O-CB 3.32Å; S121-I125 WeakPolarHBondContact O-CD1 3.34Å; S121-I125 WeakPolarHBondContact O-CG1 3.47Å; S121-I125 PolarHBondContact O-N 3.34Å |
| 122 | F | 92.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 177.2 | -59.2 | -16.1 | 0 | 0 | 0 | 111.3 | I118 P119 N120 H124 I125 F126 P187 M190 M194 Y219 I221 | I118-F122 HydrophobicContact CG2-CD1 4.29Å; I118-F122 HydrophobicContact CG2-CD2 4.39Å; I118-F122 HydrophobicContact CG2-CE1 3.49Å; I118-F122 VanDerWaalsContact CG2-CE1 3.49Å; I118-F122 HydrophobicContact CG2-CE2 3.62Å; I118-F122 HydrophobicContact CG2-CZ 3.12Å; I118-F122 WeakPolarHBondContact O-CD1 3.39Å; I118-F122 WeakPolarHBondContact O-CG 3.24Å; I118-F122 PolarHBondContact O-N 3.45Å; P119-F122 PolarHBondContact O-N 3.31Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 2.91Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.2Å; F122-I125 PolarHBondContact O-N 3.48Å; F122-F126 WeakPolarHBondContact O-CD2 3.47Å; F122-F126 PolarHBondContact O-N 2.92Å; F122-P187 HydrophobicContact CB-CB 4.41Å; F122-M190 HydrophobicContact CB-SD 4.06Å; F122-M190 HydrophobicContact CD1-CB 4.33Å; F122-M190 HydrophobicContact CD1-SD 3.41Å; F122-M190 WeakPolarHBondContact CD1-SD 3.26Å; F122-M190 HydrophobicContact CD2-CB 3.72Å; F122-M190 HydrophobicContact CD2-SD 4.36Å; F122-M190 HydrophobicContact CE1-CB 4.37Å; F122-M190 HydrophobicContact CE1-SD 3.85Å; F122-M190 HydrophobicContact CE2-CB 3.76Å; F122-M190 HydrophobicContact CG-CB 4.01Å; F122-M190 HydrophobicContact CG-SD 3.7Å; F122-M190 HydrophobicContact CZ-CB 4.07Å; F122-M190 HydrophobicContact CZ-SD 4.47Å; F122-M194 HydrophobicContact CZ-CE 4.13Å; F122-Y219 HydrophobicContact CE1-CD1 4.02Å; F122-Y219 AromaticContact CE1-CE1 3.49Å; F122-Y219 HydrophobicContact CE1-CE1 3.49Å; F122-Y219 VanDerWaalsContact CE1-CE1 3.49Å; F122-Y219 HydrophobicContact CZ-CD1 4.12Å; F122-Y219 AromaticContact CZ-CE1 3.52Å; F122-Y219 HydrophobicContact CZ-CE1 3.52Å; F122-Y219 AromaticContact CZ-CZ 3.81Å; F122-I221 HydrophobicContact CD1-CD1 3.75Å; F122-I221 HydrophobicContact CE1-CD1 3.62Å; F122-I221 HydrophobicContact CE1-CG1 4.47Å |
| 123 | A | 88.1 | Confident | 88 | Confident | 12 Ų | 12 | 30 Ų | 30 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -41.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P119 N120 G127 Q494 | P119-A123 PolarHBondContact O-N 2.9Å; N120-A123 PolarHBondContact O-N 3.34Å; A123-G127 PolarHBondContact O-N 3.26Å; A123-Q494 HydrophobicContact CB-CB 4.17Å; A123-Q494 HydrophobicContact CB-CG 3.88Å |
| 124 | H | 90.3 | Very high | 87.4 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -44.7 | -179.5 | -171.6 | -159.1 | 0 | 0 | 0 | 112.9 | Y72 V80 D81 N120 S121 F122 F126 G127 A128 | Y72-H124 HydrophobicContact CE1-CB 4.47Å; Y72-H124 AromaticContact CZ-ND1 3.99Å; Y72-H124 WeakPolarHBondContact OH-CB 3.34Å; Y72-H124 VanDerWaalsContact OH-CG 3.27Å; Y72-H124 PolarHBondContact OH-ND1 2.7Å; V80-H124 HydrophobicContact CG1-CB 4.33Å; V80-H124 WeakPolarHBondContact CG1-ND1 3.46Å; D81-H124 IonicContact OD1-CE1 3.18Å; D81-H124 PolarHBondContact OD1-CE1 3.25Å; D81-H124 IonicContact OD1-NE2 2.9Å; D81-H124 PolarHBondContact OD1-NE2 3Å; N120-H124 WeakPolarHBondContact O-CB 3.42Å; N120-H124 PolarHBondContact O-N 2.88Å; S121-H124 PolarHBondContact O-N 3.45Å; F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.2Å; H124-F126 PolarHBondContact O-N 2.78Å; H124-G127 PolarHBondContact O-N 2.88Å; H124-A128 WeakPolarHBondContact O-CB 3.36Å; H124-A128 PolarHBondContact O-N 3.09Å |
| 125 | I | 91.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -51.6 | 178.2 | -71.7 | 162.7 | 0 | 0 | 0 | 110.4 | V80 L84 S121 F122 A128 I129 I221 I223 L241 | V80-I125 HydrophobicContact CG1-CD1 4.5Å; V80-I125 HydrophobicContact CG1-CG1 3.76Å; L84-I125 HydrophobicContact CD2-CG2 4.33Å; S121-I125 WeakPolarHBondContact O-CB 3.32Å; S121-I125 WeakPolarHBondContact O-CD1 3.34Å; S121-I125 WeakPolarHBondContact O-CG1 3.47Å; S121-I125 PolarHBondContact O-N 3.34Å; F122-I125 PolarHBondContact O-N 3.48Å; I125-A128 PolarHBondContact O-N 2.84Å; I125-I129 HydrophobicContact CG2-CD1 3.83Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.29Å; I125-I221 HydrophobicContact CD1-CD1 3.72Å; I125-I221 HydrophobicContact CD1-CG2 4.31Å; I125-I223 HydrophobicContact CB-CD1 4.45Å; I125-I223 HydrophobicContact CD1-CD1 4.09Å; I125-I223 HydrophobicContact CG1-CD1 4.02Å; I125-I223 HydrophobicContact CG2-CD1 3.6Å; I125-I223 HydrophobicContact CG2-CG1 4.36Å; I125-L241 HydrophobicContact CD1-CD2 4.09Å |
| 126 | F | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.1 | -29.6 | -179.7 | -77.7 | -76.9 | 0 | 0 | 0 | 113 | F122 H124 I129 A130 V184 H185 P187 M190 I481 L487 | F122-F126 WeakPolarHBondContact O-CD2 3.47Å; F122-F126 PolarHBondContact O-N 2.92Å; H124-F126 PolarHBondContact O-N 2.78Å; F126-I129 HydrophobicContact CD1-CD1 4.4Å; F126-I129 PolarHBondContact O-N 2.92Å; F126-A130 WeakPolarHBondContact O-CB 3.42Å; F126-A130 PolarHBondContact O-N 3.38Å; F126-V184 HydrophobicContact CZ-CB 4.5Å; F126-V184 HydrophobicContact CZ-CG2 4.16Å; F126-H185 WeakPolarHBondContact CE1-O 3.4Å; F126-P187 HydrophobicContact CB-CG 3.69Å; F126-P187 HydrophobicContact CD2-CB 4.19Å; F126-P187 VanDerWaalsContact CD2-CD 3.48Å; F126-P187 HydrophobicContact CD2-CG 3.56Å; F126-P187 HydrophobicContact CE2-CG 4.37Å; F126-P187 HydrophobicContact CG-CG 3.81Å; F126-M190 HydrophobicContact CD2-CE 4.38Å; F126-M190 HydrophobicContact CD2-SD 4.46Å; F126-M190 HydrophobicContact CE2-CE 3.41Å; F126-M190 VanDerWaalsContact CE2-CE 3.41Å; F126-M190 HydrophobicContact CE2-CG 4.03Å; F126-M190 HydrophobicContact CE2-SD 3.67Å; F126-M190 HydrophobicContact CZ-CE 3.84Å; F126-I481 HydrophobicContact CD1-CD1 4.48Å; F126-I481 HydrophobicContact CE1-CD1 3.8Å; F126-L487 HydrophobicContact CD1-CD1 4.18Å |
| 127 | G | 85.3 | Confident | 86.2 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A123 H124 A130 K131 | A123-G127 PolarHBondContact O-N 3.26Å; H124-G127 PolarHBondContact O-N 2.88Å; G127-A130 PolarHBondContact O-N 3.43Å; G127-K131 WeakPolarHBondContact O-CG 3.45Å; G127-K131 PolarHBondContact O-N 3.43Å; G127-K131 VanDerWaalsContact O-N 3.16Å |
| 128 | A | 85.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 25% | 0.248 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L84 H124 I125 A130 K131 A132 | L84-A128 HydrophobicContact CD1-CB 3.43Å; L84-A128 VanDerWaalsContact CD1-CB 3.43Å; L84-A128 HydrophobicContact CD2-CB 4.18Å; L84-A128 HydrophobicContact CG-CB 4.42Å; H124-A128 WeakPolarHBondContact O-CB 3.36Å; H124-A128 PolarHBondContact O-N 3.09Å; I125-A128 PolarHBondContact O-N 2.84Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 2.9Å; A128-K131 PolarHBondContact O-N 2.91Å; A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.11Å |
| 129 | I | 85.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.1 | -69.4 | 167.3 | 0 | 0 | 0 | 111.1 | I125 F126 K131 A132 F138 V140 I481 | I125-I129 HydrophobicContact CG2-CD1 3.83Å; I125-I129 VanDerWaalsContact O-CG1 3.27Å; I125-I129 WeakPolarHBondContact O-CG1 3.38Å; I125-I129 PolarHBondContact O-N 3.29Å; F126-I129 HydrophobicContact CD1-CD1 4.4Å; F126-I129 PolarHBondContact O-N 2.92Å; I129-K131 VanDerWaalsContact C-N 3.29Å; I129-K131 PolarHBondContact O-N 3.49Å; I129-A132 WeakPolarHBondContact O-CB 3.35Å; I129-A132 PolarHBondContact O-N 2.83Å; I129-F138 HydrophobicContact CB-CD2 4.34Å; I129-F138 HydrophobicContact CB-CG 4.47Å; I129-F138 HydrophobicContact CD1-CB 4.23Å; I129-F138 HydrophobicContact CD1-CD1 4.36Å; I129-F138 HydrophobicContact CD1-CG 4.29Å; I129-F138 HydrophobicContact CG1-CB 4.31Å; I129-F138 HydrophobicContact CG1-CD1 3.87Å; I129-F138 HydrophobicContact CG1-CD2 4.18Å; I129-F138 HydrophobicContact CG1-CE1 4.18Å; I129-F138 HydrophobicContact CG1-CE2 4.46Å; I129-F138 HydrophobicContact CG1-CG 3.86Å; I129-F138 HydrophobicContact CG1-CZ 4.47Å; I129-F138 HydrophobicContact CG2-CB 4.18Å; I129-F138 HydrophobicContact CG2-CD2 3.67Å; I129-F138 HydrophobicContact CG2-CE2 4.23Å; I129-F138 HydrophobicContact CG2-CG 3.98Å; I129-V140 HydrophobicContact CD1-CG2 3.56Å; I129-I481 HydrophobicContact CG2-CB 4.45Å; I129-I481 HydrophobicContact CG2-CG2 3.71Å |
| 130 | A | 80.9 | Confident | 85.5 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 12% | 0.116 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -31.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F126 G127 A128 G484 L487 L488 | F126-A130 WeakPolarHBondContact O-CB 3.42Å; F126-A130 PolarHBondContact O-N 3.38Å; G127-A130 PolarHBondContact O-N 3.43Å; A128-A130 VanDerWaalsContact C-N 3.32Å; A128-A130 PolarHBondContact O-N 2.9Å; A130-G484 PolarHBondContact O-N 3.14Å; A130-L487 HydrophobicContact CB-CB 4.48Å; A130-L488 HydrophobicContact CB-CD1 4.47Å |
| 131 | K | 81.5 | Confident | 85.6 | Confident | 122 Ų | 122 | 32.8 Ų | 32.8 | 53% | 0.53 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -85.2 | -11.7 | 177.9 | -71.1 | 179.4 | 178.4 | -176.6 | 0 | 114.3 | G127 A128 I129 E495 | G127-K131 WeakPolarHBondContact O-CG 3.45Å; G127-K131 PolarHBondContact O-N 3.43Å; G127-K131 VanDerWaalsContact O-N 3.16Å; A128-K131 PolarHBondContact O-N 2.91Å; I129-K131 VanDerWaalsContact C-N 3.29Å; I129-K131 PolarHBondContact O-N 3.49Å; K131-E495 WeakPolarHBondContact CE-OE2 3.22Å; K131-E495 IonicContact NZ-OE1 3.74Å; K131-E495 PolarHBondContact NZ-OE1 3.36Å; K131-E495 IonicContact NZ-OE2 3.75Å; K131-E495 PolarHBondContact NZ-OE2 3.16Å |
| 132 | A | 81.2 | Confident | 85.6 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -70.4 | 157.2 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | A128 I129 T136 F138 | A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.11Å; I129-A132 WeakPolarHBondContact O-CB 3.35Å; I129-A132 PolarHBondContact O-N 2.83Å; A132-T136 WeakPolarHBondContact CB-OG1 3.19Å; A132-F138 HydrophobicContact CB-CE2 3.56Å; A132-F138 HydrophobicContact CB-CZ 3.71Å |
| 133 | D | 77.7 | Confident | 85.7 | Confident | 115 Ų | 115 | 33.3 Ų | 33.3 | 62% | 0.615 | 18% | 0.184 | S | C | * | . | trans | -61.5 | 148.4 | -177.9 | -64 | -45 | 0 | 0 | 0 | 112.2 | N135 T136 | D133-N135 PolarHBondContact O-N 3.36Å; D133-T136 HydrophobicContact CB-CG2 4.45Å; D133-T136 PolarHBondContact O-N 3.32Å; D133-T136 PolarHBondContact O-OG1 3.29Å | ||
| 134 | A | 71.9 | Confident | 86 | Confident | 70 Ų | 70 | 33.2 Ų | 33.2 | 58% | 0.579 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T136 V482 G483 | A134-T136 VanDerWaalsContact C-N 3.31Å; A134-V482 WeakPolarHBondContact O-CG1 3.2Å; A134-G483 WeakPolarHBondContact CA-O 3.45Å |
| 135 | N | 76.4 | Confident | 86.2 | Confident | 116 Ų | 116 | 32.8 Ų | 32.8 | 62% | 0.62 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.4 | 175.4 | -70.8 | -4.5 | 0 | 0 | 0 | 113.5 | D133 | D133-N135 PolarHBondContact O-N 3.36Š|
| 136 | T | 82.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 136.6 | 176.6 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | A132 D133 A134 F138 E227 G483 | A132-T136 WeakPolarHBondContact CB-OG1 3.19Å; D133-T136 HydrophobicContact CB-CG2 4.45Å; D133-T136 PolarHBondContact O-N 3.32Å; D133-T136 PolarHBondContact O-OG1 3.29Å; A134-T136 VanDerWaalsContact C-N 3.31Å; T136-F138 VanDerWaalsContact OG1-CE2 3.26Å; T136-F138 WeakPolarHBondContact OG1-CE2 3.33Å; T136-E227 HydrophobicContact CG2-CB 4.26Å; T136-E227 HydrophobicContact CG2-CG 4Å; T136-G483 PolarHBondContact O-N 3.48Å |
| 137 | R | 84.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 33 Ų | 33 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131 | 178.3 | -67.5 | -176.7 | -178 | -167.1 | 5.7 | 109.7 | C225 S226 I480 I481 | R137-C225 CarbonylContact O-C 3.58Å; R137-C225 WeakPolarHBondContact O-CA 3.38Å; R137-S226 PolarHBondContact N-O 3.02Å; R137-S226 PolarHBondContact O-N 3.05Å; R137-I480 HydrophobicContact CB-CG2 3.77Å; R137-I480 HydrophobicContact CG-CG2 4.1Å; R137-I481 WeakPolarHBondContact CA-O 3.37Å |
| 138 | F | 88.2 | Confident | 86.3 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 142.5 | -179.8 | -61.7 | -92 | 0 | 0 | 0 | 111 | I129 A132 T136 I223 E224 C225 I481 | I129-F138 HydrophobicContact CB-CD2 4.34Å; I129-F138 HydrophobicContact CB-CG 4.47Å; I129-F138 HydrophobicContact CD1-CB 4.23Å; I129-F138 HydrophobicContact CD1-CD1 4.36Å; I129-F138 HydrophobicContact CD1-CG 4.29Å; I129-F138 HydrophobicContact CG1-CB 4.31Å; I129-F138 HydrophobicContact CG1-CD1 3.87Å; I129-F138 HydrophobicContact CG1-CD2 4.18Å; I129-F138 HydrophobicContact CG1-CE1 4.18Å; I129-F138 HydrophobicContact CG1-CE2 4.46Å; I129-F138 HydrophobicContact CG1-CG 3.86Å; I129-F138 HydrophobicContact CG1-CZ 4.47Å; I129-F138 HydrophobicContact CG2-CB 4.18Å; I129-F138 HydrophobicContact CG2-CD2 3.67Å; I129-F138 HydrophobicContact CG2-CE2 4.23Å; I129-F138 HydrophobicContact CG2-CG 3.98Å; A132-F138 HydrophobicContact CB-CE2 3.56Å; A132-F138 HydrophobicContact CB-CZ 3.71Å; T136-F138 VanDerWaalsContact OG1-CE2 3.26Å; T136-F138 WeakPolarHBondContact OG1-CE2 3.33Å; F138-I223 HydrophobicContact CD1-CG2 4.17Å; F138-E224 CarbonylContact C-O 3.58Å; F138-E224 VanDerWaalsContact CA-O 3.29Å; F138-E224 WeakPolarHBondContact CA-O 3.46Å; F138-C225 HydrophobicContact CD1-CB 3.85Å; F138-C225 HydrophobicContact CE1-CB 3.73Å; F138-C225 VanDerWaalsContact CE1-SG 3.51Å; F138-I481 HydrophobicContact CB-CB 4.39Å; F138-I481 PolarHBondContact N-O 2.95Å; F138-I481 PolarHBondContact O-N 3.41Å |
| 139 | L | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.2 | 165.9 | 175.5 | 71.7 | 0 | 0 | 0 | 107.6 | R141 V183 E224 M354 L355 F358 R479 | L139-R141 HydrophobicContact CG-CG 4.34Å; L139-V183 HydrophobicContact CD1-CG1 3.63Å; L139-V183 HydrophobicContact CD1-CG2 4.03Å; L139-E224 HydrophobicContact CB-CB 4.29Å; L139-E224 PolarHBondContact N-O 2.86Å; L139-E224 PolarHBondContact O-N 3.48Å; L139-M354 HydrophobicContact CD2-CB 3.95Å; L139-L355 HydrophobicContact CB-CB 4.31Å; L139-L355 HydrophobicContact CB-CD1 4.07Å; L139-L355 HydrophobicContact CD2-CB 4.25Å; L139-F358 HydrophobicContact CD1-CD2 4.25Å; L139-F358 HydrophobicContact CD1-CE2 4.06Å; L139-F358 HydrophobicContact CD2-CD2 3.95Å; L139-F358 HydrophobicContact CD2-CE2 3.91Å; L139-R479 WeakPolarHBondContact CD1-O 3.45Å |
| 140 | V | 91.6 | Very high | 86 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 179.5 | -171.1 | 0 | 0 | 0 | 0 | 109.3 | I129 V183 V184 M190 I221 T222 I223 I481 | I129-V140 HydrophobicContact CD1-CG2 3.56Å; V140-V183 WeakPolarHBondContact O-CA 3.29Å; V140-V184 HydrophobicContact CB-CG2 3.98Å; V140-V184 HydrophobicContact CG1-CG2 3.7Å; V140-V184 PolarHBondContact O-N 3.24Å; V140-M190 HydrophobicContact CB-CE 4.49Å; V140-M190 HydrophobicContact CG1-CE 3.28Å; V140-I221 HydrophobicContact CG1-CG2 3.79Å; V140-T222 WeakPolarHBondContact CA-O 3.49Å; V140-I223 HydrophobicContact CG1-CG1 4.41Å; V140-I481 HydrophobicContact CG2-CD1 4.22Å |
| 141 | R | 92.5 | Very high | 86.2 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 19% | 0.192 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.4 | 177.9 | -64.6 | -171 | -70.5 | 167.9 | -4.7 | 110.3 | L139 F182 V183 I221 T222 E224 M354 | L139-R141 HydrophobicContact CG-CG 4.34Å; R141-F182 CarbonylContact C-O 3.58Å; R141-F182 VanDerWaalsContact CA-O 3.28Å; R141-F182 WeakPolarHBondContact CA-O 3.41Å; R141-V183 HydrophobicContact CG-CG2 4.2Å; R141-I221 CarbonylContact O-C 3.52Å; R141-I221 WeakPolarHBondContact O-CA 3.49Å; R141-T222 PolarHBondContact N-O 3.19Å; R141-T222 PolarHBondContact O-N 3.07Å; R141-E224 IonicContact CZ-OE1 2.73Å; R141-E224 IonicContact NE-OE1 3.56Å; R141-E224 IonicContact NH2-OE1 3.26Å; R141-E224 PolarHBondContact NH2-OE1 2.79Å; R141-M354 VanDerWaalsContact NH1-CG 3.33Å |
| 142 | V | 94.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.1 | 174.7 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | S181 F182 V184 M190 L193 Y219 T220 I221 | V142-S181 WeakPolarHBondContact O-CA 3.35Å; V142-F182 HydrophobicContact CG2-CB 4.28Å; V142-F182 PolarHBondContact N-O 2.83Å; V142-F182 PolarHBondContact O-N 3.12Å; V142-V184 HydrophobicContact CG1-CG1 4.49Å; V142-V184 HydrophobicContact CG1-CG2 3.88Å; V142-V184 HydrophobicContact CG2-CG1 3.75Å; V142-M190 HydrophobicContact CG1-CE 3.76Å; V142-M190 HydrophobicContact CG1-CG 4.14Å; V142-M190 HydrophobicContact CG1-SD 4.21Å; V142-L193 HydrophobicContact CG2-CD1 3.49Å; V142-L193 VanDerWaalsContact CG2-CD1 3.49Å; V142-Y219 HydrophobicContact CB-CE1 4.14Å; V142-Y219 HydrophobicContact CG1-CE1 3.96Å; V142-T220 CarbonylContact C-O 3.55Å; V142-T220 WeakPolarHBondContact CA-O 3.36Å; V142-I221 HydrophobicContact CG1-CG1 4.29Å; V142-I221 HydrophobicContact CG1-CG2 4.25Å |
| 143 | S | 94 | Very high | 86.9 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.6 | 167.9 | 57.2 | 0 | 0 | 0 | 0 | 107.9 | S180 T220 | S143-S180 WeakPolarHBondContact CB-O 3.41Å; S143-T220 PolarHBondContact N-O 3.18Å; S143-T220 PolarHBondContact O-N 3.47Å; S143-T220 WeakPolarHBondContact OG-CB 3.46Å |
| 144 | Y | 95.1 | Very high | 87.6 | Confident | 9 Ų | 9 | 28 Ų | 28 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 121.1 | -179.8 | -171 | -158.5 | 0 | 0 | 0 | 109.1 | L155 L156 M194 N198 A217 I218 Y219 | Y144-L155 HydrophobicContact CD1-CB 3.79Å; Y144-L155 HydrophobicContact CD1-CD1 3.65Å; Y144-L155 HydrophobicContact CD1-CG 4.4Å; Y144-L155 HydrophobicContact CD2-CD1 3.83Å; Y144-L155 HydrophobicContact CE1-CB 4.32Å; Y144-L155 HydrophobicContact CE1-CD1 3.46Å; Y144-L155 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L155 HydrophobicContact CE2-CD1 3.68Å; Y144-L155 HydrophobicContact CG-CB 4.02Å; Y144-L155 HydrophobicContact CG-CD1 3.82Å; Y144-L155 VanDerWaalsContact CZ-CD1 3.47Å; Y144-L155 WeakPolarHBondContact O-CB 3.37Å; Y144-L155 PolarHBondContact O-N 2.82Å; Y144-L156 HydrophobicContact CD1-CD2 4.4Å; Y144-M194 HydrophobicContact CD1-SD 3.9Å; Y144-M194 HydrophobicContact CE1-SD 3.34Å; Y144-M194 WeakPolarHBondContact CE1-SD 3.48Å; Y144-M194 HydrophobicContact CE2-SD 4.21Å; Y144-M194 VanDerWaalsContact CZ-SD 3.53Å; Y144-N198 WeakPolarHBondContact CE1-OD1 3.47Å; Y144-N198 PolarHBondContact OH-OD1 2.93Å; Y144-A217 HydrophobicContact CE2-CB 3.92Å; Y144-I218 WeakPolarHBondContact CD2-O 3.34Å; Y144-Y219 AromaticContact CD1-CD2 3.97Å; Y144-Y219 HydrophobicContact CD1-CD2 3.97Å; Y144-Y219 HydrophobicContact CD1-CE2 4.32Å; Y144-Y219 AromaticContact CD2-CD2 3.58Å; Y144-Y219 HydrophobicContact CD2-CD2 3.58Å; Y144-Y219 HydrophobicContact CD2-CG 4.24Å; Y144-Y219 HydrophobicContact CE2-CD2 4.17Å; Y144-Y219 AromaticContact CG-CD2 3.47Å; Y144-Y219 HydrophobicContact CG-CD2 3.47Å; Y144-Y219 VanDerWaalsContact CG-CD2 3.47Å; Y144-Y219 HydrophobicContact CG-CE2 4.07Å |
| 145 | L | 93.5 | Very high | 88.5 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 157.8 | -178 | 68.7 | 84.1 | 0 | 0 | 0 | 110.9 | I147 V152 R153 V176 L179 I218 L300 | L145-I147 HydrophobicContact CD1-CD1 4.36Å; L145-I147 HydrophobicContact CD1-CG1 3.79Å; L145-V152 HydrophobicContact CB-CG1 4.45Å; L145-V152 HydrophobicContact CD1-CG1 4.24Å; L145-V152 HydrophobicContact CD2-CG1 4.45Å; L145-R153 VanDerWaalsContact CA-O 3.29Å; L145-R153 WeakPolarHBondContact CA-O 3.38Å; L145-R153 WeakPolarHBondContact CB-O 3.33Å; L145-V176 HydrophobicContact CD2-CG2 3.96Å; L145-L179 HydrophobicContact CB-CD1 3.9Å; L145-L179 HydrophobicContact CD2-CD1 4.27Å; L145-L179 HydrophobicContact CD2-CD2 3.76Å; L145-I218 HydrophobicContact CD1-CB 3.87Å; L145-I218 HydrophobicContact CD1-CD1 4.08Å; L145-I218 HydrophobicContact CD1-CG1 4.26Å; L145-I218 HydrophobicContact CG-CB 4.07Å; L145-I218 PolarHBondContact N-O 3.44Å; L145-I218 VanDerWaalsContact N-O 3.1Å; L145-I218 PolarHBondContact O-N 3.3Å; L145-L300 HydrophobicContact CD1-CD1 4.42Å |
| 146 | E | 91.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.7 | 172.6 | -176.6 | 178.7 | -132.7 | 0 | 0 | 109.6 | V152 R153 L155 R201 H211 S215 H216 | E146-V152 WeakPolarHBondContact O-CA 3.45Å; E146-R153 PolarHBondContact N-O 3.43Å; E146-R153 PolarHBondContact O-N 3.46Å; E146-R153 IonicContact OE2-CZ 3.57Å; E146-R153 IonicContact OE2-NE 3.18Å; E146-R153 IonicContact OE2-NH2 3.6Å; E146-R153 PolarHBondContact OE2-NH2 2.81Å; E146-L155 HydrophobicContact CB-CD1 4Å; E146-L155 HydrophobicContact CB-CD2 3.94Å; E146-L155 HydrophobicContact CB-CG 3.97Å; E146-R201 WeakPolarHBondContact OE1-CG 3.28Å; E146-R201 IonicContact OE1-NE 2.74Å; E146-R201 PolarHBondContact OE1-NE 3.18Å; E146-H211 IonicContact OE1-CE1 2.76Å; E146-H211 PolarHBondContact OE1-CE1 3.39Å; E146-H211 IonicContact OE1-ND1 2.81Å; E146-H211 PolarHBondContact OE1-ND1 3.07Å; E146-H211 VanDerWaalsContact OE1-ND1 3.1Å; E146-H211 IonicContact OE2-CE1 2.83Å; E146-H211 PolarHBondContact OE2-CE1 3.31Å; E146-H211 VanDerWaalsContact OE2-CE1 3.31Å; E146-S215 WeakPolarHBondContact OE1-CB 3.4Å; E146-S215 PolarHBondContact OE1-OG 3.47Å; E146-H216 CarbonylContact C-O 3.58Å; E146-H216 VanDerWaalsContact CA-O 3.3Å; E146-H216 WeakPolarHBondContact CA-O 3.39Å |
| 147 | I | 89.7 | Confident | 89.2 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116 | 168 | -47.8 | 178 | 0 | 0 | 0 | 107.5 | L145 E151 V152 S215 H216 I218 L297 L300 | L145-I147 HydrophobicContact CD1-CD1 4.36Å; L145-I147 HydrophobicContact CD1-CG1 3.79Å; I147-E151 WeakPolarHBondContact CA-O 3.32Å; I147-V152 HydrophobicContact CG1-CG2 4.35Å; I147-S215 WeakPolarHBondContact O-CA 3.5Å; I147-H216 HydrophobicContact CB-CB 4.28Å; I147-H216 PolarHBondContact N-O 3.27Å; I147-H216 PolarHBondContact O-N 3.32Å; I147-I218 HydrophobicContact CD1-CD1 3.94Å; I147-L297 HydrophobicContact CD1-CB 4.03Å; I147-L297 HydrophobicContact CD1-CD1 3.97Å; I147-L300 HydrophobicContact CD1-CD1 3.64Å; I147-L300 HydrophobicContact CG1-CD1 4.46Å |
| 148 | Y | 85.5 | Confident | 89 | Confident | 38 Ų | 38 | 25.7 Ų | 25.7 | 15% | 0.149 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.6 | 175.6 | 175.4 | -103.7 | 0 | 0 | 0 | 108.6 | E150 E151 H211 R214 E264 I268 | Y148-E150 PolarHBondContact O-N 2.8Å; Y148-E151 PolarHBondContact N-O 3.45Å; Y148-E151 PolarHBondContact O-N 3.03Å; Y148-H211 AromaticContact CD1-NE2 3.49Å; Y148-H211 WeakPolarHBondContact CD1-NE2 2.93Å; Y148-H211 AromaticContact CD2-CE1 3.9Å; Y148-H211 AromaticContact CD2-NE2 3.52Å; Y148-H211 AromaticContact CE1-NE2 3.72Å; Y148-H211 AromaticContact CE2-CD2 3.94Å; Y148-H211 AromaticContact CE2-NE2 3.79Å; Y148-H211 AromaticContact CG-CE1 3.78Å; Y148-H211 AromaticContact CG-NE2 3.35Å; Y148-H211 VanDerWaalsContact CG-NE2 3.35Å; Y148-H211 AromaticContact CZ-CD2 3.99Å; Y148-H211 AromaticContact CZ-NE2 3.87Å; Y148-R214 HydrophobicContact CD2-CB 4.5Å; Y148-R214 HydrophobicContact CE2-CB 4.02Å; Y148-E264 PolarHBondContact OH-OE1 2.87Å; Y148-I268 HydrophobicContact CE2-CD1 4.01Å; Y148-I268 HydrophobicContact CE2-CG1 4.46Å |
| 149 | N | 79.6 | Confident | 88.5 | Confident | 33 Ų | 33 | 29.3 Ų | 29.3 | 18% | 0.176 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 38.2 | 178.8 | -166.9 | 44.4 | 0 | 0 | 0 | 113.3 | E151 K267 | N149-E151 PolarHBondContact O-N 3.44Å; N149-E151 VanDerWaalsContact O-N 3.14Å; N149-K267 WeakPolarHBondContact OD1-CB 3.05Å; N149-K267 WeakPolarHBondContact OD1-CD 3.36Å |
| 150 | E | 84.3 | Confident | 87.7 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 16% | 0.159 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 11 | -173.8 | -67.6 | -68 | 138.7 | 0 | 0 | 115.8 | Y148 L270 S271 S295 K296 | Y148-E150 PolarHBondContact O-N 2.8Å; E150-L270 HydrophobicContact CG-CD2 4.04Å; E150-S271 WeakPolarHBondContact OE1-CB 3.43Å; E150-S271 PolarHBondContact OE1-N 3.05Å; E150-S295 WeakPolarHBondContact OE1-CB 3.36Å; E150-S295 PolarHBondContact OE1-OG 2.91Å; E150-S295 WeakPolarHBondContact OE2-CA 3.34Å; E150-S295 PolarHBondContact OE2-OG 3.21Å; E150-K296 WeakPolarHBondContact O-CG 3.36Å; E150-K296 PolarHBondContact OE2-N 2.99Å |
| 151 | E | 85.2 | Confident | 86.7 | Confident | 52 Ų | 52 | 39.8 Ų | 39.8 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135 | 171.4 | -62.3 | -175.7 | -173.9 | 0 | 0 | 110.1 | I147 Y148 N149 R163 | I147-E151 WeakPolarHBondContact CA-O 3.32Å; Y148-E151 PolarHBondContact N-O 3.45Å; Y148-E151 PolarHBondContact O-N 3.03Å; N149-E151 PolarHBondContact O-N 3.44Å; N149-E151 VanDerWaalsContact O-N 3.14Å; E151-R163 IonicContact OE1-CZ 3.46Å; E151-R163 IonicContact OE1-NE 2.98Å; E151-R163 PolarHBondContact OE1-NE 3.07Å; E151-R163 IonicContact OE1-NH2 3.18Å; E151-R163 PolarHBondContact OE1-NH2 3.01Å; E151-R163 IonicContact OE2-CZ 3.78Å; E151-R163 IonicContact OE2-NE 3.64Å; E151-R163 PolarHBondContact OE2-NE 3.1Å; E151-R163 IonicContact OE2-NH2 3.04Å; E151-R163 PolarHBondContact OE2-NH2 3.09Å |
| 152 | V | 89.4 | Confident | 86.1 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.5 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | L145 E146 I147 L164 V166 V176 K296 | L145-V152 HydrophobicContact CB-CG1 4.45Å; L145-V152 HydrophobicContact CD1-CG1 4.24Å; L145-V152 HydrophobicContact CD2-CG1 4.45Å; E146-V152 WeakPolarHBondContact O-CA 3.45Å; I147-V152 HydrophobicContact CG1-CG2 4.35Å; V152-L164 HydrophobicContact CB-CB 4.25Å; V152-L164 HydrophobicContact CG1-CB 4.18Å; V152-L164 PolarHBondContact O-N 3.19Å; V152-V166 HydrophobicContact CG2-CG2 3.84Å; V152-V176 HydrophobicContact CG1-CG1 3.96Å; V152-V176 HydrophobicContact CG1-CG2 4.36Å; V152-K296 HydrophobicContact CG2-CB 4.19Å; V152-K296 HydrophobicContact CG2-CG 4.49Å |
| 153 | R | 88.8 | Confident | 85.4 | Confident | 40 Ų | 40 | 47.3 Ų | 47.3 | 15% | 0.151 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 143.8 | 177 | -66.9 | -170.5 | -66.6 | -113.4 | 7.8 | 111.3 | L145 E146 Q160 H211 | L145-R153 VanDerWaalsContact CA-O 3.29Å; L145-R153 WeakPolarHBondContact CA-O 3.38Å; L145-R153 WeakPolarHBondContact CB-O 3.33Å; E146-R153 PolarHBondContact N-O 3.43Å; E146-R153 PolarHBondContact O-N 3.46Å; E146-R153 IonicContact OE2-CZ 3.57Å; E146-R153 IonicContact OE2-NE 3.18Å; E146-R153 IonicContact OE2-NH2 3.6Å; E146-R153 PolarHBondContact OE2-NH2 2.81Å; R153-Q160 WeakPolarHBondContact CD-O 3.38Å; R153-H211 PolarHBondContact NH2-CE1 2.95Å; R153-H211 PolarHBondContact NH2-NE2 2.87Å |
| 154 | D | 91.6 | Very high | 85.1 | Confident | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.4 | 174.9 | -168.4 | -13.8 | 0 | 0 | 0 | 110.6 | L156 G157 L164 L179 S180 | D154-L156 VanDerWaalsContact C-N 3.33Å; D154-L156 PolarHBondContact OD1-N 3.49Å; D154-G157 PolarHBondContact OD1-N 3.04Å; D154-G157 PolarHBondContact OD2-N 3.48Å; D154-L164 HydrophobicContact CB-CD1 3.85Å; D154-L179 HydrophobicContact CB-CD1 4.21Å; D154-S180 WeakPolarHBondContact OD2-CA 3.18Å; D154-S180 WeakPolarHBondContact OD2-CB 3.29Å; D154-S180 PolarHBondContact OD2-N 2.93Å; D154-S180 PolarHBondContact OD2-OG 3.43Å |
| 155 | L | 90.7 | Very high | 84.6 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -81.2 | -15.6 | 178.2 | -65 | 179.2 | 0 | 0 | 0 | 112.5 | Y144 E146 G197 N200 R201 | Y144-L155 HydrophobicContact CD1-CB 3.79Å; Y144-L155 HydrophobicContact CD1-CD1 3.65Å; Y144-L155 HydrophobicContact CD1-CG 4.4Å; Y144-L155 HydrophobicContact CD2-CD1 3.83Å; Y144-L155 HydrophobicContact CE1-CB 4.32Å; Y144-L155 HydrophobicContact CE1-CD1 3.46Å; Y144-L155 VanDerWaalsContact CE1-CD1 3.46Å; Y144-L155 HydrophobicContact CE2-CD1 3.68Å; Y144-L155 HydrophobicContact CG-CB 4.02Å; Y144-L155 HydrophobicContact CG-CD1 3.82Å; Y144-L155 VanDerWaalsContact CZ-CD1 3.47Å; Y144-L155 WeakPolarHBondContact O-CB 3.37Å; Y144-L155 PolarHBondContact O-N 2.82Å; E146-L155 HydrophobicContact CB-CD1 4Å; E146-L155 HydrophobicContact CB-CD2 3.94Å; E146-L155 HydrophobicContact CB-CG 3.97Å; L155-G197 WeakPolarHBondContact O-CA 3.4Å; L155-N200 PolarHBondContact O-ND2 2.82Å; L155-R201 HydrophobicContact CD1-CB 4.4Å; L155-R201 HydrophobicContact CD1-CG 4.49Å; L155-R201 HydrophobicContact CD2-CB 3.9Å; L155-R201 HydrophobicContact CD2-CG 4.27Å |
| 156 | L | 90.4 | Very high | 84.3 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -105 | -7.1 | 177 | -51.4 | -179.5 | 0 | 0 | 0 | 113 | Y144 D154 F182 L193 F196 | Y144-L156 HydrophobicContact CD1-CD2 4.4Å; D154-L156 VanDerWaalsContact C-N 3.33Å; D154-L156 PolarHBondContact OD1-N 3.49Å; L156-F182 HydrophobicContact CB-CD2 3.9Å; L156-F182 HydrophobicContact CB-CE2 3.48Å; L156-F182 VanDerWaalsContact CB-CE2 3.48Å; L156-F182 HydrophobicContact CB-CZ 4.5Å; L156-F182 HydrophobicContact CD1-CD2 3.79Å; L156-F182 HydrophobicContact CD1-CE2 4.28Å; L156-F182 HydrophobicContact CG-CD2 4.48Å; L156-F182 HydrophobicContact CG-CE2 4.5Å; L156-L193 HydrophobicContact CD2-CB 4.25Å; L156-L193 HydrophobicContact CD2-CD2 4.46Å; L156-L193 WeakPolarHBondContact CD2-O 3.38Å; L156-F196 HydrophobicContact CD2-CD1 4.24Å |
| 157 | G | 83.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -68.3 | 160.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D154 | D154-G157 PolarHBondContact OD1-N 3.04Å; D154-G157 PolarHBondContact OD2-N 3.48Å |
| 158 | K | 79.2 | Confident | 83.6 | Confident | 219 Ų | 219 | 59.6 Ų | 59.6 | 95% | 0.952 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -72 | -38.4 | 173.6 | -66.2 | -178.6 | -178.6 | 177.1 | 0 | 111.9 | ||
| 159 | D | 79.4 | Confident | 83.3 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | trans | -103.2 | 109.8 | 178.6 | -174.3 | 2.1 | 0 | 0 | 0 | 109.9 | F161 A162 | D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact OD1-N 3.2Å; D159-A162 HydrophobicContact CB-CB 4.06Å; D159-A162 PolarHBondContact OD1-N 3.04Å | ||
| 160 | Q | 70.5 | Confident | 82.9 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -82.7 | -13.2 | -178.9 | -61.4 | 175.5 | 22 | 0 | 0 | 112.6 | R153 N200 | R153-Q160 WeakPolarHBondContact CD-O 3.38Å; Q160-N200 HydrophobicContact CG-CB 4.27Å; Q160-N200 PolarHBondContact NE2-ND2 2.65Å; Q160-N200 PolarHBondContact NE2-OD1 2.91Å |
| 161 | F | 72.4 | Confident | 82.2 | Confident | 169 Ų | 169 | 69.7 Ų | 69.7 | 74% | 0.741 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -95.1 | -9.4 | 178.7 | -58.4 | -76.3 | 0 | 0 | 0 | 112.1 | D159 R163 | D159-F161 VanDerWaalsContact C-N 3.32Å; D159-F161 PolarHBondContact OD1-N 3.2Å; F161-R163 PolarHBondContact O-N 2.9Å |
| 162 | A | 78.8 | Confident | 81.5 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 122.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D159 | D159-A162 HydrophobicContact CB-CB 4.06Å; D159-A162 PolarHBondContact OD1-N 3.04Å |
| 163 | R | 81 | Confident | 80.9 | Confident | 176 Ų | 176 | 70.2 Ų | 70.2 | 66% | 0.664 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -85.5 | 128.3 | 173.5 | -67.8 | 175.1 | 171.9 | 162.7 | -6.5 | 109.3 | E151 F161 | E151-R163 IonicContact OE1-CZ 3.46Å; E151-R163 IonicContact OE1-NE 2.98Å; E151-R163 PolarHBondContact OE1-NE 3.07Å; E151-R163 IonicContact OE1-NH2 3.18Å; E151-R163 PolarHBondContact OE1-NH2 3.01Å; E151-R163 IonicContact OE2-CZ 3.78Å; E151-R163 IonicContact OE2-NE 3.64Å; E151-R163 PolarHBondContact OE2-NE 3.1Å; E151-R163 IonicContact OE2-NH2 3.04Å; E151-R163 PolarHBondContact OE2-NH2 3.09Å; F161-R163 PolarHBondContact O-N 2.9Å |
| 164 | L | 86 | Confident | 80.6 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -103.9 | 142.1 | -179.7 | -58.9 | -174.8 | 0 | 0 | 0 | 112.2 | V152 D154 V176 N178 L179 | V152-L164 HydrophobicContact CB-CB 4.25Å; V152-L164 HydrophobicContact CG1-CB 4.18Å; V152-L164 PolarHBondContact O-N 3.19Å; D154-L164 HydrophobicContact CB-CD1 3.85Å; L164-V176 HydrophobicContact CB-CG1 3.52Å; L164-V176 HydrophobicContact CD1-CG1 3.74Å; L164-V176 HydrophobicContact CG-CG1 4.29Å; L164-N178 HydrophobicContact CD2-CB 4.04Å; L164-L179 HydrophobicContact CD1-CB 4.21Å; L164-L179 HydrophobicContact CD1-CD1 4Å |
| 165 | D | 85.5 | Confident | 80.4 | Confident | 88 Ų | 88 | 72.6 Ų | 72.6 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 135.7 | 177.5 | -68.3 | -42.9 | 0 | 0 | 0 | 111.9 | K177 | D165-K177 PolarHBondContact O-N 3.2Š|
| 166 | V | 87.2 | Confident | 80.3 | Confident | 7 Ų | 7 | 73 Ų | 73 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.9 | 169.8 | -175 | 0 | 0 | 0 | 0 | 109.2 | V152 V174 V176 K296 R299 L300 | V152-V166 HydrophobicContact CG2-CG2 3.84Å; V166-V174 HydrophobicContact CG1-CG1 3.36Å; V166-V176 HydrophobicContact CG2-CG2 4.37Å; V166-K296 HydrophobicContact CB-CD 4.26Å; V166-K296 HydrophobicContact CG2-CB 4.18Å; V166-K296 HydrophobicContact CG2-CD 3.97Å; V166-K296 HydrophobicContact CG2-CG 4.41Å; V166-R299 HydrophobicContact CG1-CB 4.23Å; V166-R299 PolarHBondContact O-NH2 3.45Å; V166-L300 HydrophobicContact CG1-CD2 4.11Å; V166-L300 HydrophobicContact CG1-CG 4.32Å; V166-L300 HydrophobicContact CG2-CD1 4.33Å; V166-L300 HydrophobicContact CG2-CD2 4.47Å; V166-L300 HydrophobicContact CG2-CG 4.35Å |
| 167 | K | 86.3 | Confident | 80 | Confident | 88 Ų | 88 | 77 Ų | 77 | 38% | 0.383 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 165.4 | 177.7 | -64.9 | -162 | 174.6 | -157.9 | 0 | 110.9 | V174 Y175 K177 | K167-V174 WeakPolarHBondContact O-CA 3.41Å; K167-Y175 HydrophobicContact CB-CD1 4.49Å; K167-Y175 HydrophobicContact CB-CE1 3.89Å; K167-Y175 HydrophobicContact CB-CE2 4.37Å; K167-Y175 PolarHBondContact N-O 2.89Å; K167-Y175 PolarHBondContact O-N 2.73Å; K167-K177 HydrophobicContact CD-CB 4.43Å; K167-K177 HydrophobicContact CD-CD 4.36Å |
| 168 | E | 80.8 | Confident | 80.1 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 39% | 0.393 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.7 | 179.4 | -174.3 | 176.3 | -174.4 | 0 | 0 | 108.7 | V174 R293 | E168-V174 HydrophobicContact CB-CG2 4.44Å; E168-V174 HydrophobicContact CG-CG2 4.15Å; E168-R293 IonicContact OE2-NH2 2.84Å |
| 169 | R | 78.4 | Confident | 80.6 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 37% | 0.37 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.3 | 168.5 | -80.6 | 171.9 | 60.5 | 164.5 | 2.2 | 110.1 | D171 I172 G173 Y175 | R169-D171 WeakPolarHBondContact CB-OD1 3.35Å; R169-D171 IonicContact CZ-OD1 2.78Å; R169-D171 IonicContact CZ-OD2 3.8Å; R169-D171 IonicContact NE-OD1 3.69Å; R169-D171 PolarHBondContact NE-OD1 3.05Å; R169-D171 IonicContact NE-OD2 3.6Å; R169-D171 IonicContact NH2-OD1 3.26Å; R169-D171 IonicContact NH2-OD2 3.44Å; R169-D171 PolarHBondContact NH2-OD2 3.29Å; R169-D171 PolarHBondContact O-N 3.04Å; R169-I172 PolarHBondContact O-N 3.3Å; R169-G173 PolarHBondContact N-O 3.06Å; R169-G173 WeakPolarHBondContact O-CA 3.43Å; R169-G173 PolarHBondContact O-N 3.21Å; R169-Y175 HydrophobicContact CB-CE1 4.16Å; R169-Y175 HydrophobicContact CG-CE1 3.72Å |
| 170 | P | 71.3 | Confident | 81.1 | Confident | 145 Ų | 145 | 71.5 Ų | 71.5 | 94% | 0.942 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25 | -177.7 | -22.2 | 32 | 0 | 0 | 0 | 114.9 | ||
| 171 | D | 68.7 | Low | 82 | Confident | 75 Ų | 75 | 72.1 Ų | 72.1 | 40% | 0.401 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -36.9 | -176.2 | 53.4 | -9.8 | 0 | 0 | 0 | 113.8 | R169 | R169-D171 WeakPolarHBondContact CB-OD1 3.35Å; R169-D171 IonicContact CZ-OD1 2.78Å; R169-D171 IonicContact CZ-OD2 3.8Å; R169-D171 IonicContact NE-OD1 3.69Å; R169-D171 PolarHBondContact NE-OD1 3.05Å; R169-D171 IonicContact NE-OD2 3.6Å; R169-D171 IonicContact NH2-OD1 3.26Å; R169-D171 IonicContact NH2-OD2 3.44Å; R169-D171 PolarHBondContact NH2-OD2 3.29Å; R169-D171 PolarHBondContact O-N 3.04Å |
| 172 | I | 70.2 | Confident | 82.9 | Confident | 47 Ų | 47 | 68 Ų | 68 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -30.6 | -176 | -62.6 | 167.8 | 0 | 0 | 0 | 112.3 | R169 D352 | R169-I172 PolarHBondContact O-N 3.3Å; I172-D352 HydrophobicContact CD1-CB 4.32Å; I172-D352 VanDerWaalsContact CD1-OD2 3.29Å; I172-D352 WeakPolarHBondContact CD1-OD2 3.27Å; I172-D352 HydrophobicContact CG1-CB 4.38Å; I172-D352 WeakPolarHBondContact CG1-OD2 3.36Å |
| 173 | G | 77.2 | Confident | 83.4 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | -154 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R169 | R169-G173 PolarHBondContact N-O 3.06Å; R169-G173 WeakPolarHBondContact O-CA 3.43Å; R169-G173 PolarHBondContact O-N 3.21Å |
| 174 | V | 84.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 130.6 | 179.5 | -176.2 | 0 | 0 | 0 | 0 | 110 | V166 K167 E168 R299 L300 | V166-V174 HydrophobicContact CG1-CG1 3.36Å; K167-V174 WeakPolarHBondContact O-CA 3.41Å; E168-V174 HydrophobicContact CB-CG2 4.44Å; E168-V174 HydrophobicContact CG-CG2 4.15Å; V174-R299 HydrophobicContact CG1-CB 4.38Å; V174-R299 WeakPolarHBondContact CG1-O 3.35Å; V174-R299 WeakPolarHBondContact CG2-O 3.38Å; V174-L300 HydrophobicContact CG1-CD2 4.17Å |
| 175 | Y | 86 | Confident | 83.6 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157.7 | 178.3 | 71.9 | -79 | 0 | 0 | 0 | 111.6 | K167 R169 | K167-Y175 HydrophobicContact CB-CD1 4.49Å; K167-Y175 HydrophobicContact CB-CE1 3.89Å; K167-Y175 HydrophobicContact CB-CE2 4.37Å; K167-Y175 PolarHBondContact N-O 2.89Å; K167-Y175 PolarHBondContact O-N 2.73Å; R169-Y175 HydrophobicContact CB-CE1 4.16Å; R169-Y175 HydrophobicContact CG-CE1 3.72Å |
| 176 | V | 88.2 | Confident | 83.5 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.8 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | L145 V152 L164 V166 L179 L300 | L145-V176 HydrophobicContact CD2-CG2 3.96Å; V152-V176 HydrophobicContact CG1-CG1 3.96Å; V152-V176 HydrophobicContact CG1-CG2 4.36Å; L164-V176 HydrophobicContact CB-CG1 3.52Å; L164-V176 HydrophobicContact CD1-CG1 3.74Å; L164-V176 HydrophobicContact CG-CG1 4.29Å; V166-V176 HydrophobicContact CG2-CG2 4.37Å; V176-L179 HydrophobicContact CB-CB 3.91Å; V176-L179 HydrophobicContact CB-CD2 4.15Å; V176-L179 HydrophobicContact CG1-CB 4.02Å; V176-L300 HydrophobicContact CG2-CD1 4.25Å; V176-L300 HydrophobicContact CG2-CD2 3.55Å |
| 177 | K | 84.9 | Confident | 83.4 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 138.5 | 177.1 | -174 | -174.9 | 174 | -167.9 | 0 | 109.2 | D165 K167 L179 | D165-K177 PolarHBondContact O-N 3.2Å; K167-K177 HydrophobicContact CD-CB 4.43Å; K167-K177 HydrophobicContact CD-CD 4.36Å; K177-L179 PolarHBondContact O-N 3.09Å |
| 178 | N | 85.5 | Confident | 83.4 | Confident | 125 Ų | 125 | 59.4 Ų | 59.4 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 15.5 | 177.9 | -56.6 | -17.2 | 0 | 0 | 0 | 115.4 | L164 S180 | L164-N178 HydrophobicContact CD2-CB 4.04Å; N178-S180 PolarHBondContact O-N 2.69Å |
| 179 | L | 89.5 | Confident | 83.7 | Confident | 39 Ų | 39 | 58.7 Ų | 58.7 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | trans | -67.5 | 127.6 | 172.4 | -179.4 | 66.6 | 0 | 0 | 0 | 110.3 | L145 D154 L164 V176 K177 | L145-L179 HydrophobicContact CB-CD1 3.9Å; L145-L179 HydrophobicContact CD2-CD1 4.27Å; L145-L179 HydrophobicContact CD2-CD2 3.76Å; D154-L179 HydrophobicContact CB-CD1 4.21Å; L164-L179 HydrophobicContact CD1-CB 4.21Å; L164-L179 HydrophobicContact CD1-CD1 4Å; V176-L179 HydrophobicContact CB-CB 3.91Å; V176-L179 HydrophobicContact CB-CD2 4.15Å; V176-L179 HydrophobicContact CG1-CB 4.02Å; K177-L179 PolarHBondContact O-N 3.09Å | ||
| 180 | S | 89.8 | Confident | 84.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | trans | -66.7 | 135 | 178.5 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | S143 D154 N178 | S143-S180 WeakPolarHBondContact CB-O 3.41Å; D154-S180 WeakPolarHBondContact OD2-CA 3.18Å; D154-S180 WeakPolarHBondContact OD2-CB 3.29Å; D154-S180 PolarHBondContact OD2-N 2.93Å; D154-S180 PolarHBondContact OD2-OG 3.43Å; N178-S180 PolarHBondContact O-N 2.69Å | ||
| 181 | S | 89.6 | Confident | 85.1 | Confident | 63 Ų | 63 | 49.1 Ų | 49.1 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | trans | -126.7 | 128.8 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | V142 | V142-S181 WeakPolarHBondContact O-CA 3.35Š| ||
| 182 | F | 91.7 | Very high | 86.1 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 37% | 0.368 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.8 | -178.1 | -70 | -92 | 0 | 0 | 0 | 110.4 | R141 V142 L156 L193 | R141-F182 CarbonylContact C-O 3.58Å; R141-F182 VanDerWaalsContact CA-O 3.28Å; R141-F182 WeakPolarHBondContact CA-O 3.41Å; V142-F182 HydrophobicContact CG2-CB 4.28Å; V142-F182 PolarHBondContact N-O 2.83Å; V142-F182 PolarHBondContact O-N 3.12Å; L156-F182 HydrophobicContact CB-CD2 3.9Å; L156-F182 HydrophobicContact CB-CE2 3.48Å; L156-F182 VanDerWaalsContact CB-CE2 3.48Å; L156-F182 HydrophobicContact CB-CZ 4.5Å; L156-F182 HydrophobicContact CD1-CD2 3.79Å; L156-F182 HydrophobicContact CD1-CE2 4.28Å; L156-F182 HydrophobicContact CG-CD2 4.48Å; L156-F182 HydrophobicContact CG-CE2 4.5Å; F182-L193 HydrophobicContact CB-CD1 3.91Å; F182-L193 HydrophobicContact CG-CD1 4.5Å; F182-L193 HydrophobicContact CG-CD2 4.36Å |
| 183 | V | 89.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 51.1 Ų | 51.1 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133.1 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | L139 V140 R141 R479 | L139-V183 HydrophobicContact CD1-CG1 3.63Å; L139-V183 HydrophobicContact CD1-CG2 4.03Å; V140-V183 WeakPolarHBondContact O-CA 3.29Å; R141-V183 HydrophobicContact CG-CG2 4.2Å; V183-R479 HydrophobicContact CG1-CB 4.15Å; V183-R479 HydrophobicContact CG1-CG 4.3Å |
| 184 | V | 88.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | trans | -127.6 | 142.6 | -176.6 | -70 | 0 | 0 | 0 | 0 | 111.1 | F126 V140 V142 E189 M190 L193 | F126-V184 HydrophobicContact CZ-CB 4.5Å; F126-V184 HydrophobicContact CZ-CG2 4.16Å; V140-V184 HydrophobicContact CB-CG2 3.98Å; V140-V184 HydrophobicContact CG1-CG2 3.7Å; V140-V184 PolarHBondContact O-N 3.24Å; V142-V184 HydrophobicContact CG1-CG1 4.49Å; V142-V184 HydrophobicContact CG1-CG2 3.88Å; V142-V184 HydrophobicContact CG2-CG1 3.75Å; V184-E189 WeakPolarHBondContact CA-OE2 3.37Å; V184-E189 HydrophobicContact CB-CB 4.42Å; V184-E189 HydrophobicContact CG1-CB 4.29Å; V184-M190 HydrophobicContact CB-CG 4.11Å; V184-M190 HydrophobicContact CG1-CG 4.2Å; V184-M190 HydrophobicContact CG2-CE 3.42Å; V184-M190 VanDerWaalsContact CG2-CE 3.42Å; V184-M190 HydrophobicContact CG2-CG 3.84Å; V184-M190 HydrophobicContact CG2-SD 4.46Å; V184-L193 HydrophobicContact CG1-CD1 3.44Å; V184-L193 VanDerWaalsContact CG1-CD1 3.44Å | ||
| 185 | H | 83.1 | Confident | 88 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -118.7 | -12.2 | -172.5 | -42.3 | 82.7 | 0 | 0 | 0 | 112.6 | F126 E189 S478 R479 L487 | F126-H185 WeakPolarHBondContact CE1-O 3.4Å; H185-E189 IonicContact CG-OE2 3.68Å; H185-E189 PolarHBondContact N-OE2 3Å; H185-E189 IonicContact ND1-OE1 3.06Å; H185-E189 IonicContact ND1-OE2 3.72Å; H185-E189 PolarHBondContact ND1-OE2 3.02Å; H185-S478 PolarHBondContact CD2-O 2.89Å; H185-S478 PolarHBondContact NE2-O 3.4Å; H185-R479 WeakPolarHBondContact NE2-CA 3.46Å; H185-L487 WeakPolarHBondContact O-CD1 3.39Å | ||
| 186 | S | 82.8 | Confident | 88.2 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -145.7 | 156 | 178.5 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | N188 E189 M190 | S186-N188 PolarHBondContact O-N 2.73Å; S186-E189 WeakPolarHBondContact O-CB 3.29Å; S186-E189 PolarHBondContact O-N 3.2Å; S186-E189 VanDerWaalsContact O-N 3.11Å; S186-E189 WeakPolarHBondContact OG-CG 3.46Å; S186-E189 PolarHBondContact OG-N 3.34Å; S186-M190 PolarHBondContact O-N 2.95Å |
| 187 | P | 84.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.4 | -36.8 | 171.8 | -24.4 | 31.3 | 0 | 0 | 0 | 112.6 | F122 F126 E189 M190 D191 | F122-P187 HydrophobicContact CB-CB 4.41Å; F126-P187 HydrophobicContact CB-CG 3.69Å; F126-P187 HydrophobicContact CD2-CB 4.19Å; F126-P187 VanDerWaalsContact CD2-CD 3.48Å; F126-P187 HydrophobicContact CD2-CG 3.56Å; F126-P187 HydrophobicContact CE2-CG 4.37Å; F126-P187 HydrophobicContact CG-CG 3.81Å; P187-E189 VanDerWaalsContact C-N 3.33Å; P187-E189 PolarHBondContact O-N 2.94Å; P187-M190 WeakPolarHBondContact O-CB 3.36Å; P187-M190 PolarHBondContact O-N 3.45Å; P187-D191 PolarHBondContact O-N 2.84Å |
| 188 | N | 86.5 | Confident | 88.3 | Confident | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68 | -31.4 | -178.7 | -171.5 | 55.4 | 0 | 0 | 0 | 112.6 | S186 K192 | S186-N188 PolarHBondContact O-N 2.73Å; N188-K192 VanDerWaalsContact O-CG 3.28Å; N188-K192 WeakPolarHBondContact O-CG 3.49Å; N188-K192 PolarHBondContact O-N 2.74Å |
| 189 | E | 88.1 | Confident | 88.3 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 171.5 | -76.2 | 172.8 | -164.3 | 0 | 0 | 111.3 | V184 H185 S186 P187 D191 K192 L193 | V184-E189 WeakPolarHBondContact CA-OE2 3.37Å; V184-E189 HydrophobicContact CB-CB 4.42Å; V184-E189 HydrophobicContact CG1-CB 4.29Å; H185-E189 IonicContact CG-OE2 3.68Å; H185-E189 PolarHBondContact N-OE2 3Å; H185-E189 IonicContact ND1-OE1 3.06Å; H185-E189 IonicContact ND1-OE2 3.72Å; H185-E189 PolarHBondContact ND1-OE2 3.02Å; S186-E189 WeakPolarHBondContact O-CB 3.29Å; S186-E189 PolarHBondContact O-N 3.2Å; S186-E189 VanDerWaalsContact O-N 3.11Å; S186-E189 WeakPolarHBondContact OG-CG 3.46Å; S186-E189 PolarHBondContact OG-N 3.34Å; P187-E189 VanDerWaalsContact C-N 3.33Å; P187-E189 PolarHBondContact O-N 2.94Å; E189-D191 VanDerWaalsContact C-N 3.34Å; E189-D191 PolarHBondContact O-N 2.9Å; E189-K192 PolarHBondContact O-N 2.88Å; E189-L193 WeakPolarHBondContact O-CG 3.26Å; E189-L193 PolarHBondContact O-N 2.94Å |
| 190 | M | 89 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.9 | -67.6 | -169.4 | 175.7 | 0 | 0 | 111.6 | F122 F126 V140 V142 V184 S186 P187 K192 L193 M194 I221 | F122-M190 HydrophobicContact CB-SD 4.06Å; F122-M190 HydrophobicContact CD1-CB 4.33Å; F122-M190 HydrophobicContact CD1-SD 3.41Å; F122-M190 WeakPolarHBondContact CD1-SD 3.26Å; F122-M190 HydrophobicContact CD2-CB 3.72Å; F122-M190 HydrophobicContact CD2-SD 4.36Å; F122-M190 HydrophobicContact CE1-CB 4.37Å; F122-M190 HydrophobicContact CE1-SD 3.85Å; F122-M190 HydrophobicContact CE2-CB 3.76Å; F122-M190 HydrophobicContact CG-CB 4.01Å; F122-M190 HydrophobicContact CG-SD 3.7Å; F122-M190 HydrophobicContact CZ-CB 4.07Å; F122-M190 HydrophobicContact CZ-SD 4.47Å; F126-M190 HydrophobicContact CD2-CE 4.38Å; F126-M190 HydrophobicContact CD2-SD 4.46Å; F126-M190 HydrophobicContact CE2-CE 3.41Å; F126-M190 VanDerWaalsContact CE2-CE 3.41Å; F126-M190 HydrophobicContact CE2-CG 4.03Å; F126-M190 HydrophobicContact CE2-SD 3.67Å; F126-M190 HydrophobicContact CZ-CE 3.84Å; V140-M190 HydrophobicContact CB-CE 4.49Å; V140-M190 HydrophobicContact CG1-CE 3.28Å; V142-M190 HydrophobicContact CG1-CE 3.76Å; V142-M190 HydrophobicContact CG1-CG 4.14Å; V142-M190 HydrophobicContact CG1-SD 4.21Å; V184-M190 HydrophobicContact CB-CG 4.11Å; V184-M190 HydrophobicContact CG1-CG 4.2Å; V184-M190 HydrophobicContact CG2-CE 3.42Å; V184-M190 VanDerWaalsContact CG2-CE 3.42Å; V184-M190 HydrophobicContact CG2-CG 3.84Å; V184-M190 HydrophobicContact CG2-SD 4.46Å; S186-M190 PolarHBondContact O-N 2.95Å; P187-M190 WeakPolarHBondContact O-CB 3.36Å; P187-M190 PolarHBondContact O-N 3.45Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 3.32Å; M190-L193 PolarHBondContact O-N 3.08Å; M190-M194 WeakPolarHBondContact O-CB 3.45Å; M190-M194 PolarHBondContact O-N 3.48Å; M190-I221 HydrophobicContact CE-CG2 3.85Å; M190-I221 HydrophobicContact SD-CD1 4.4Å |
| 191 | D | 88.6 | Confident | 87.7 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.7 | -80.6 | -40 | 0 | 0 | 0 | 112.8 | R109 P187 E189 S195 | R109-D191 PolarHBondContact NH1-O 2.75Å; R109-D191 VanDerWaalsContact NH1-O 3.14Å; P187-D191 PolarHBondContact O-N 2.84Å; E189-D191 VanDerWaalsContact C-N 3.34Å; E189-D191 PolarHBondContact O-N 2.9Å; D191-S195 WeakPolarHBondContact O-CB 3.18Å; D191-S195 PolarHBondContact O-N 3.17Å; D191-S195 PolarHBondContact O-OG 2.93Å |
| 192 | K | 90.9 | Very high | 86.6 | Confident | 130 Ų | 130 | 48.9 Ų | 48.9 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.2 | -46.5 | 175 | -75.2 | 173 | -176.6 | 179 | 0 | 111.5 | N188 E189 M190 M194 S195 F196 | N188-K192 VanDerWaalsContact O-CG 3.28Å; N188-K192 WeakPolarHBondContact O-CG 3.49Å; N188-K192 PolarHBondContact O-N 2.74Å; E189-K192 PolarHBondContact O-N 2.88Å; M190-K192 VanDerWaalsContact C-N 3.33Å; M190-K192 PolarHBondContact O-N 3.32Å; K192-M194 VanDerWaalsContact C-N 3.33Å; K192-M194 PolarHBondContact O-N 3.05Å; K192-S195 WeakPolarHBondContact O-CB 3.38Å; K192-S195 PolarHBondContact O-N 2.68Å; K192-F196 WeakPolarHBondContact O-CB 3.44Å; K192-F196 PolarHBondContact O-N 3.44Å |
| 193 | L | 91.7 | Very high | 85.2 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.1 | -72.9 | 172.7 | 0 | 0 | 0 | 111.4 | V142 L156 F182 V184 E189 M190 F196 G197 | V142-L193 HydrophobicContact CG2-CD1 3.49Å; V142-L193 VanDerWaalsContact CG2-CD1 3.49Å; L156-L193 HydrophobicContact CD2-CB 4.25Å; L156-L193 HydrophobicContact CD2-CD2 4.46Å; L156-L193 WeakPolarHBondContact CD2-O 3.38Å; F182-L193 HydrophobicContact CB-CD1 3.91Å; F182-L193 HydrophobicContact CG-CD1 4.5Å; F182-L193 HydrophobicContact CG-CD2 4.36Å; V184-L193 HydrophobicContact CG1-CD1 3.44Å; V184-L193 VanDerWaalsContact CG1-CD1 3.44Å; E189-L193 WeakPolarHBondContact O-CG 3.26Å; E189-L193 PolarHBondContact O-N 2.94Å; M190-L193 PolarHBondContact O-N 3.08Å; L193-F196 WeakPolarHBondContact O-CB 3.42Å; L193-F196 PolarHBondContact O-N 3.11Å; L193-G197 PolarHBondContact O-N 2.92Å |
| 194 | M | 90 | Very high | 83.5 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 173.8 | -176.4 | 64.7 | 86.4 | 0 | 0 | 111.7 | I118 F122 Y144 M190 K192 F196 G197 N198 Y219 | I118-M194 HydrophobicContact CD1-CE 4.06Å; I118-M194 HydrophobicContact CG2-CE 3.66Å; F122-M194 HydrophobicContact CZ-CE 4.13Å; Y144-M194 HydrophobicContact CD1-SD 3.9Å; Y144-M194 HydrophobicContact CE1-SD 3.34Å; Y144-M194 WeakPolarHBondContact CE1-SD 3.48Å; Y144-M194 HydrophobicContact CE2-SD 4.21Å; Y144-M194 VanDerWaalsContact CZ-SD 3.53Å; M190-M194 WeakPolarHBondContact O-CB 3.45Å; M190-M194 PolarHBondContact O-N 3.48Å; K192-M194 VanDerWaalsContact C-N 3.33Å; K192-M194 PolarHBondContact O-N 3.05Å; M194-F196 VanDerWaalsContact C-N 3.29Å; M194-F196 PolarHBondContact O-N 3.01Å; M194-G197 PolarHBondContact O-N 2.98Å; M194-N198 WeakPolarHBondContact O-CB 2.98Å; M194-N198 PolarHBondContact O-N 3.17Å; M194-Y219 HydrophobicContact CB-CE2 4.36Å; M194-Y219 HydrophobicContact CE-CD1 4.09Å; M194-Y219 HydrophobicContact CE-CD2 3.15Å; M194-Y219 HydrophobicContact CE-CE1 4.41Å; M194-Y219 HydrophobicContact CE-CE2 3.57Å; M194-Y219 HydrophobicContact CE-CG 3.45Å; M194-Y219 VanDerWaalsContact CE-CG 3.45Å; M194-Y219 HydrophobicContact SD-CD2 3.75Å; M194-Y219 HydrophobicContact SD-CE2 4.02Å |
| 195 | S | 89.7 | Confident | 81.7 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | R109 D191 K192 K199 | R109-S195 PolarHBondContact NH1-OG 2.8Å; D191-S195 WeakPolarHBondContact O-CB 3.18Å; D191-S195 PolarHBondContact O-N 3.17Å; D191-S195 PolarHBondContact O-OG 2.93Å; K192-S195 WeakPolarHBondContact O-CB 3.38Å; K192-S195 PolarHBondContact O-N 2.68Å; S195-K199 WeakPolarHBondContact O-CG 3.39Å; S195-K199 PolarHBondContact O-N 2.89Å; S195-K199 VanDerWaalsContact O-N 3.14Å |
| 196 | F | 90.2 | Very high | 80 | Confident | 95 Ų | 95 | 55.2 Ų | 55.2 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 175.2 | 178.4 | -101.4 | 0 | 0 | 0 | 111.1 | L156 K192 L193 M194 N198 K199 N200 | L156-F196 HydrophobicContact CD2-CD1 4.24Å; K192-F196 WeakPolarHBondContact O-CB 3.44Å; K192-F196 PolarHBondContact O-N 3.44Å; L193-F196 WeakPolarHBondContact O-CB 3.42Å; L193-F196 PolarHBondContact O-N 3.11Å; M194-F196 VanDerWaalsContact C-N 3.29Å; M194-F196 PolarHBondContact O-N 3.01Å; F196-N198 VanDerWaalsContact C-N 3.35Å; F196-N198 PolarHBondContact O-N 2.87Å; F196-K199 WeakPolarHBondContact O-CB 3.43Å; F196-K199 PolarHBondContact O-N 2.84Å; F196-K199 VanDerWaalsContact O-N 3.12Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.38Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N200 PolarHBondContact O-N 2.82Å |
| 197 | G | 88.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L155 L193 M194 K199 N200 R201 | L155-G197 WeakPolarHBondContact O-CA 3.4Å; L193-G197 PolarHBondContact O-N 2.92Å; M194-G197 PolarHBondContact O-N 2.98Å; G197-K199 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.87Å; G197-N200 PolarHBondContact O-N 2.84Å; G197-R201 WeakPolarHBondContact O-CB 3.46Å; G197-R201 PolarHBondContact O-N 3.43Å |
| 198 | N | 87.1 | Confident | 76.4 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 16% | 0.16 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 174.5 | -77.5 | -2.8 | 0 | 0 | 0 | 112.4 | E106 R109 Y144 M194 F196 R201 V202 | E106-N198 PolarHBondContact OE1-ND2 3.48Å; E106-N198 PolarHBondContact OE2-ND2 3.04Å; R109-N198 PolarHBondContact NH2-ND2 2.66Å; Y144-N198 WeakPolarHBondContact CE1-OD1 3.47Å; Y144-N198 PolarHBondContact OH-OD1 2.93Å; M194-N198 WeakPolarHBondContact O-CB 2.98Å; M194-N198 PolarHBondContact O-N 3.17Å; F196-N198 VanDerWaalsContact C-N 3.35Å; F196-N198 PolarHBondContact O-N 2.87Å; N198-R201 WeakPolarHBondContact O-CB 3.43Å; N198-R201 PolarHBondContact O-N 3.04Å; N198-V202 WeakPolarHBondContact O-CG2 3.34Å; N198-V202 PolarHBondContact O-N 2.9Å; N198-V202 VanDerWaalsContact O-N 3.12Å |
| 199 | K | 85.4 | Confident | 74.7 | Confident | 143 Ų | 143 | 67.7 Ų | 67.7 | 62% | 0.622 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 173.3 | -73.3 | 173.6 | -178.1 | -176.7 | 0 | 111.8 | S195 F196 G197 R201 V202 T203 | S195-K199 WeakPolarHBondContact O-CG 3.39Å; S195-K199 PolarHBondContact O-N 2.89Å; S195-K199 VanDerWaalsContact O-N 3.14Å; F196-K199 WeakPolarHBondContact O-CB 3.43Å; F196-K199 PolarHBondContact O-N 2.84Å; F196-K199 VanDerWaalsContact O-N 3.12Å; G197-K199 VanDerWaalsContact C-N 3.33Å; G197-K199 PolarHBondContact O-N 2.87Å; K199-R201 VanDerWaalsContact C-N 3.3Å; K199-V202 PolarHBondContact O-N 3.03Å; K199-T203 WeakPolarHBondContact O-CG2 3.41Å; K199-T203 PolarHBondContact O-N 2.85Å; K199-T203 PolarHBondContact O-OG1 3.32Å |
| 200 | N | 84.2 | Confident | 73.2 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.6 | -64.4 | -9.7 | 0 | 0 | 0 | 110.8 | L155 Q160 F196 G197 V202 T203 G204 | L155-N200 PolarHBondContact O-ND2 2.82Å; Q160-N200 HydrophobicContact CG-CB 4.27Å; Q160-N200 PolarHBondContact NE2-ND2 2.65Å; Q160-N200 PolarHBondContact NE2-OD1 2.91Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.38Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N200 PolarHBondContact O-N 2.82Å; G197-N200 PolarHBondContact O-N 2.84Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 3.04Å; N200-T203 WeakPolarHBondContact CA-OG1 3.5Å; N200-T203 PolarHBondContact O-N 3.31Å; N200-T203 PolarHBondContact O-OG1 3.17Å; N200-G204 PolarHBondContact O-N 3.34Å; N200-G204 VanDerWaalsContact O-N 3.08Å |
| 201 | R | 82.5 | Confident | 72.2 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 173.9 | -160.1 | -178.5 | 175.9 | -167.8 | -3.6 | 113.2 | E146 L155 G197 N198 K199 S212 S215 | E146-R201 WeakPolarHBondContact OE1-CG 3.28Å; E146-R201 IonicContact OE1-NE 2.74Å; E146-R201 PolarHBondContact OE1-NE 3.18Å; L155-R201 HydrophobicContact CD1-CB 4.4Å; L155-R201 HydrophobicContact CD1-CG 4.49Å; L155-R201 HydrophobicContact CD2-CB 3.9Å; L155-R201 HydrophobicContact CD2-CG 4.27Å; G197-R201 WeakPolarHBondContact O-CB 3.46Å; G197-R201 PolarHBondContact O-N 3.43Å; N198-R201 WeakPolarHBondContact O-CB 3.43Å; N198-R201 PolarHBondContact O-N 3.04Å; K199-R201 VanDerWaalsContact C-N 3.3Å; R201-S212 PolarHBondContact NH2-O 3.43Å; R201-S212 VanDerWaalsContact NH2-O 3.15Å; R201-S215 PolarHBondContact NE-OG 2.82Å; R201-S215 PolarHBondContact NH2-O 2.85Å; R201-S215 VanDerWaalsContact NH2-O 3.12Å; R201-S215 PolarHBondContact NH2-OG 2.98Å |
| 202 | V | 66.8 | Low | 71.4 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77 | -44.5 | 178.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | N198 K199 N200 G204 A205 | N198-V202 WeakPolarHBondContact O-CG2 3.34Å; N198-V202 PolarHBondContact O-N 2.9Å; N198-V202 VanDerWaalsContact O-N 3.12Å; K199-V202 PolarHBondContact O-N 3.03Å; N200-V202 VanDerWaalsContact C-N 3.31Å; N200-V202 PolarHBondContact O-N 3.04Å; V202-G204 VanDerWaalsContact C-N 3.33Å; V202-G204 PolarHBondContact O-N 3.4Å; V202-A205 PolarHBondContact O-N 3Å |
| 203 | T | 60.7 | Low | 70.7 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 60% | 0.595 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70.8 | -26.8 | -174.9 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | K199 N200 A205 | K199-T203 WeakPolarHBondContact O-CG2 3.41Å; K199-T203 PolarHBondContact O-N 2.85Å; K199-T203 PolarHBondContact O-OG1 3.32Å; N200-T203 WeakPolarHBondContact CA-OG1 3.5Å; N200-T203 PolarHBondContact O-N 3.31Å; N200-T203 PolarHBondContact O-OG1 3.17Å; T203-A205 PolarHBondContact O-N 3.09Å; T203-A205 VanDerWaalsContact O-N 3.08Å |
| 204 | G | 54.5 | Low | 70.2 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 44% | 0.443 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -12 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N200 V202 | N200-G204 PolarHBondContact O-N 3.34Å; N200-G204 VanDerWaalsContact O-N 3.08Å; V202-G204 VanDerWaalsContact C-N 3.33Å; V202-G204 PolarHBondContact O-N 3.4Å |
| 205 | A | 50.8 | Low | 70 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 17% | 0.174 | 36% | 0.364 | C | S | . | . | trans | -122.1 | 121.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V202 T203 N207 H211 | V202-A205 PolarHBondContact O-N 3Å; T203-A205 PolarHBondContact O-N 3.09Å; T203-A205 VanDerWaalsContact O-N 3.08Å; A205-N207 PolarHBondContact O-N 3.43Å; A205-N207 VanDerWaalsContact O-N 3.16Å; A205-H211 HydrophobicContact CB-CB 3.63Å | ||
| 206 | T | 48.6 | Very low | 70.1 | Confident | 147 Ų | 147 | 63.4 Ų | 63.4 | 90% | 0.902 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -68 | -4.1 | 169 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 207 | N | 45 | Very low | 70.2 | Confident | 114 Ų | 114 | 59 Ų | 59 | 61% | 0.61 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -120.2 | 92.4 | 175.2 | -82.7 | -14 | 0 | 0 | 0 | 110.7 | A205 N209 | A205-N207 PolarHBondContact O-N 3.43Å; A205-N207 VanDerWaalsContact O-N 3.16Å; N207-N209 VanDerWaalsContact C-N 3.29Å; N207-N209 PolarHBondContact O-N 2.98Å; N207-N209 VanDerWaalsContact O-N 3.11Å |
| 208 | M | 47.1 | Very low | 70.5 | Confident | 148 Ų | 148 | 59.4 Ų | 59.4 | 73% | 0.729 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.6 | -166.7 | -162.4 | 173.3 | 80.7 | 0 | 0 | 116.2 | ||
| 209 | N | 48.9 | Very low | 70.9 | Confident | 143 Ų | 143 | 58 Ų | 58 | 77% | 0.765 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -3 | -169.4 | -73.5 | -15.9 | 0 | 0 | 0 | 115.5 | N207 | N207-N209 VanDerWaalsContact C-N 3.29Å; N207-N209 PolarHBondContact O-N 2.98Å; N207-N209 VanDerWaalsContact O-N 3.11Å |
| 210 | E | 58 | Low | 71.4 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -10.5 | -169.7 | -142.6 | -176.5 | 162.4 | 0 | 0 | 114.1 | S213 R214 | E210-S213 PolarHBondContact O-OG 3.32Å; E210-R214 HydrophobicContact CG-CG 4.46Å; E210-R214 WeakPolarHBondContact O-CB 3.5Å; E210-R214 WeakPolarHBondContact O-CD 3.38Å; E210-R214 VanDerWaalsContact O-CG 3.3Å; E210-R214 WeakPolarHBondContact O-CG 3.48Å; E210-R214 PolarHBondContact O-N 3.04Å |
| 211 | H | 66.8 | Low | 72 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.1 | -43.6 | -174.3 | -163 | -82.3 | 0 | 0 | 0 | 112.3 | E146 Y148 R153 A205 S213 R214 S215 | E146-H211 IonicContact OE1-CE1 2.76Å; E146-H211 PolarHBondContact OE1-CE1 3.39Å; E146-H211 IonicContact OE1-ND1 2.81Å; E146-H211 PolarHBondContact OE1-ND1 3.07Å; E146-H211 VanDerWaalsContact OE1-ND1 3.1Å; E146-H211 IonicContact OE2-CE1 2.83Å; E146-H211 PolarHBondContact OE2-CE1 3.31Å; E146-H211 VanDerWaalsContact OE2-CE1 3.31Å; Y148-H211 AromaticContact CD1-NE2 3.49Å; Y148-H211 WeakPolarHBondContact CD1-NE2 2.93Å; Y148-H211 AromaticContact CD2-CE1 3.9Å; Y148-H211 AromaticContact CD2-NE2 3.52Å; Y148-H211 AromaticContact CE1-NE2 3.72Å; Y148-H211 AromaticContact CE2-CD2 3.94Å; Y148-H211 AromaticContact CE2-NE2 3.79Å; Y148-H211 AromaticContact CG-CE1 3.78Å; Y148-H211 AromaticContact CG-NE2 3.35Å; Y148-H211 VanDerWaalsContact CG-NE2 3.35Å; Y148-H211 AromaticContact CZ-CD2 3.99Å; Y148-H211 AromaticContact CZ-NE2 3.87Å; R153-H211 PolarHBondContact NH2-CE1 2.95Å; R153-H211 PolarHBondContact NH2-NE2 2.87Å; A205-H211 HydrophobicContact CB-CB 3.63Å; H211-S213 VanDerWaalsContact C-N 3.27Å; H211-S213 PolarHBondContact O-N 3.44Å; H211-R214 PolarHBondContact O-N 3.41Å; H211-R214 VanDerWaalsContact O-N 3.12Å; H211-S215 WeakPolarHBondContact O-CB 3.37Å; H211-S215 PolarHBondContact O-N 2.86Å; H211-S215 VanDerWaalsContact O-N 3.11Å; H211-S215 PolarHBondContact O-OG 3.01Å |
| 212 | S | 71.9 | Confident | 72.5 | Confident | 64 Ų | 64 | 51 Ų | 51 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -30 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | R201 | R201-S212 PolarHBondContact NH2-O 3.43Å; R201-S212 VanDerWaalsContact NH2-O 3.15Å |
| 213 | S | 77.1 | Confident | 73.7 | Confident | 21 Ų | 21 | 47.1 Ų | 47.1 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.8 | -21.5 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | T97 E210 H211 A247 G248 | T97-S213 WeakPolarHBondContact OG1-CB 3.46Å; E210-S213 PolarHBondContact O-OG 3.32Å; H211-S213 VanDerWaalsContact C-N 3.27Å; H211-S213 PolarHBondContact O-N 3.44Å; S213-A247 CarbonylContact O-C 3.53Å; S213-A247 WeakPolarHBondContact O-CA 3.48Å; S213-A247 WeakPolarHBondContact O-CB 3.42Å; S213-G248 PolarHBondContact O-N 2.96Å |
| 214 | R | 80.4 | Confident | 75.2 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -107.6 | 2.5 | -175.7 | -64.8 | 175 | 76.3 | -150.6 | 2.6 | 113.8 | Y148 E210 H211 E264 I268 | Y148-R214 HydrophobicContact CD2-CB 4.5Å; Y148-R214 HydrophobicContact CE2-CB 4.02Å; E210-R214 HydrophobicContact CG-CG 4.46Å; E210-R214 WeakPolarHBondContact O-CB 3.5Å; E210-R214 WeakPolarHBondContact O-CD 3.38Å; E210-R214 VanDerWaalsContact O-CG 3.3Å; E210-R214 WeakPolarHBondContact O-CG 3.48Å; E210-R214 PolarHBondContact O-N 3.04Å; H211-R214 PolarHBondContact O-N 3.41Å; H211-R214 VanDerWaalsContact O-N 3.12Å; R214-E264 IonicContact CZ-OE1 2.85Å; R214-E264 IonicContact NH1-OE1 2.66Å; R214-E264 PolarHBondContact NH1-OE1 2.92Å; R214-E264 IonicContact NH2-OE1 3.73Å; R214-E264 PolarHBondContact NH2-OE1 2.86Å; R214-I268 HydrophobicContact CB-CD1 4.43Å; R214-I268 HydrophobicContact CB-CG2 4.38Å |
| 215 | S | 86.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -122.8 | 150.1 | -179.2 | 53.9 | 0 | 0 | 0 | 0 | 111.2 | E146 I147 R201 H211 | E146-S215 WeakPolarHBondContact OE1-CB 3.4Å; E146-S215 PolarHBondContact OE1-OG 3.47Å; I147-S215 WeakPolarHBondContact O-CA 3.5Å; R201-S215 PolarHBondContact NE-OG 2.82Å; R201-S215 PolarHBondContact NH2-O 2.85Å; R201-S215 VanDerWaalsContact NH2-O 3.12Å; R201-S215 PolarHBondContact NH2-OG 2.98Å; H211-S215 WeakPolarHBondContact O-CB 3.37Å; H211-S215 PolarHBondContact O-N 2.86Å; H211-S215 VanDerWaalsContact O-N 3.11Å; H211-S215 PolarHBondContact O-OG 3.01Å |
| 216 | H | 91.4 | Very high | 78.4 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.1 | 173 | -51.9 | -76 | 0 | 0 | 0 | 109.1 | E146 I147 D245 L246 A247 S271 L297 | E146-H216 CarbonylContact C-O 3.58Å; E146-H216 VanDerWaalsContact CA-O 3.3Å; E146-H216 WeakPolarHBondContact CA-O 3.39Å; I147-H216 HydrophobicContact CB-CB 4.28Å; I147-H216 PolarHBondContact N-O 3.27Å; I147-H216 PolarHBondContact O-N 3.32Å; H216-D245 WeakPolarHBondContact CA-O 3.47Å; H216-L246 HydrophobicContact CB-CD2 4.41Å; H216-L246 WeakPolarHBondContact ND1-CA 3.25Å; H216-L246 WeakPolarHBondContact ND1-CD2 3.43Å; H216-A247 WeakPolarHBondContact CE1-CB 3.27Å; H216-A247 PolarHBondContact CE1-N 3.49Å; H216-A247 VanDerWaalsContact CE1-N 3.32Å; H216-A247 PolarHBondContact ND1-N 3.41Å; H216-S271 WeakPolarHBondContact NE2-CB 3.23Å; H216-S271 PolarHBondContact NE2-OG 3.3Å; H216-L297 HydrophobicContact CB-CD1 4.21Å |
| 217 | A | 92.3 | Very high | 80 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y144 V244 D245 | Y144-A217 HydrophobicContact CE2-CB 3.92Å; A217-V244 CarbonylContact O-C 3.56Å; A217-V244 WeakPolarHBondContact O-CA 3.47Å; A217-D245 HydrophobicContact CB-CB 4.46Å; A217-D245 PolarHBondContact N-O 3.46Å; A217-D245 PolarHBondContact O-N 3.45Å |
| 218 | I | 95.2 | Very high | 81.2 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.036 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108.8 | -179.1 | -61.8 | 172.5 | 0 | 0 | 0 | 108.1 | Y144 L145 I147 V244 L297 L300 | Y144-I218 WeakPolarHBondContact CD2-O 3.34Å; L145-I218 HydrophobicContact CD1-CB 3.87Å; L145-I218 HydrophobicContact CD1-CD1 4.08Å; L145-I218 HydrophobicContact CD1-CG1 4.26Å; L145-I218 HydrophobicContact CG-CB 4.07Å; L145-I218 PolarHBondContact N-O 3.44Å; L145-I218 VanDerWaalsContact N-O 3.1Å; L145-I218 PolarHBondContact O-N 3.3Å; I147-I218 HydrophobicContact CD1-CD1 3.94Å; I218-V244 HydrophobicContact CG1-CB 4.44Å; I218-V244 HydrophobicContact CG1-CG1 3.84Å; I218-V244 HydrophobicContact CG1-CG2 4.11Å; I218-V244 HydrophobicContact CG2-CG2 4.31Å; I218-L297 HydrophobicContact CD1-CD1 4.05Å; I218-L300 HydrophobicContact CD1-CB 4.48Å; I218-L300 HydrophobicContact CD1-CD1 4.35Å |
| 219 | Y | 95.7 | Very high | 82 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 114.7 | 171.8 | -163.6 | -90.1 | 0 | 0 | 0 | 109.1 | F122 V142 Y144 M194 I221 L243 | F122-Y219 HydrophobicContact CE1-CD1 4.02Å; F122-Y219 AromaticContact CE1-CE1 3.49Å; F122-Y219 HydrophobicContact CE1-CE1 3.49Å; F122-Y219 VanDerWaalsContact CE1-CE1 3.49Å; F122-Y219 HydrophobicContact CZ-CD1 4.12Å; F122-Y219 AromaticContact CZ-CE1 3.52Å; F122-Y219 HydrophobicContact CZ-CE1 3.52Å; F122-Y219 AromaticContact CZ-CZ 3.81Å; V142-Y219 HydrophobicContact CB-CE1 4.14Å; V142-Y219 HydrophobicContact CG1-CE1 3.96Å; Y144-Y219 AromaticContact CD1-CD2 3.97Å; Y144-Y219 HydrophobicContact CD1-CD2 3.97Å; Y144-Y219 HydrophobicContact CD1-CE2 4.32Å; Y144-Y219 AromaticContact CD2-CD2 3.58Å; Y144-Y219 HydrophobicContact CD2-CD2 3.58Å; Y144-Y219 HydrophobicContact CD2-CG 4.24Å; Y144-Y219 HydrophobicContact CE2-CD2 4.17Å; Y144-Y219 AromaticContact CG-CD2 3.47Å; Y144-Y219 HydrophobicContact CG-CD2 3.47Å; Y144-Y219 VanDerWaalsContact CG-CD2 3.47Å; Y144-Y219 HydrophobicContact CG-CE2 4.07Å; M194-Y219 HydrophobicContact CB-CE2 4.36Å; M194-Y219 HydrophobicContact CE-CD1 4.09Å; M194-Y219 HydrophobicContact CE-CD2 3.15Å; M194-Y219 HydrophobicContact CE-CE1 4.41Å; M194-Y219 HydrophobicContact CE-CE2 3.57Å; M194-Y219 HydrophobicContact CE-CG 3.45Å; M194-Y219 VanDerWaalsContact CE-CG 3.45Å; M194-Y219 HydrophobicContact SD-CD2 3.75Å; M194-Y219 HydrophobicContact SD-CE2 4.02Å; Y219-I221 HydrophobicContact CD1-CD1 4.4Å; Y219-I221 HydrophobicContact CD1-CG1 3.85Å; Y219-I221 HydrophobicContact CE1-CD1 4.23Å; Y219-I221 HydrophobicContact CE1-CG1 3.75Å; Y219-L243 PolarHBondContact N-O 2.84Å; Y219-L243 PolarHBondContact O-N 2.87Å |
| 220 | T | 95.8 | Very high | 82.5 | Confident | 13 Ų | 13 | 34.3 Ų | 34.3 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 123.7 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | V142 S143 L241 H242 | V142-T220 CarbonylContact C-O 3.55Å; V142-T220 WeakPolarHBondContact CA-O 3.36Å; S143-T220 PolarHBondContact N-O 3.18Å; S143-T220 PolarHBondContact O-N 3.47Å; S143-T220 WeakPolarHBondContact OG-CB 3.46Å; T220-L241 WeakPolarHBondContact CA-O 3.34Å; T220-H242 VanDerWaalsContact CG2-CE1 3.42Å; T220-H242 WeakPolarHBondContact CG2-CE1 3.42Å; T220-H242 WeakPolarHBondContact CG2-ND1 3.43Å; T220-H242 PolarHBondContact OG1-ND1 3.42Å |
| 221 | I | 95.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122 | 173.1 | -46.4 | 177.1 | 0 | 0 | 0 | 107.7 | F122 I125 V140 R141 V142 M190 Y219 I223 K240 L241 L243 | F122-I221 HydrophobicContact CD1-CD1 3.75Å; F122-I221 HydrophobicContact CE1-CD1 3.62Å; F122-I221 HydrophobicContact CE1-CG1 4.47Å; I125-I221 HydrophobicContact CD1-CD1 3.72Å; I125-I221 HydrophobicContact CD1-CG2 4.31Å; V140-I221 HydrophobicContact CG1-CG2 3.79Å; R141-I221 CarbonylContact O-C 3.52Å; R141-I221 WeakPolarHBondContact O-CA 3.49Å; V142-I221 HydrophobicContact CG1-CG1 4.29Å; V142-I221 HydrophobicContact CG1-CG2 4.25Å; M190-I221 HydrophobicContact CE-CG2 3.85Å; M190-I221 HydrophobicContact SD-CD1 4.4Å; Y219-I221 HydrophobicContact CD1-CD1 4.4Å; Y219-I221 HydrophobicContact CD1-CG1 3.85Å; Y219-I221 HydrophobicContact CE1-CD1 4.23Å; Y219-I221 HydrophobicContact CE1-CG1 3.75Å; I221-I223 HydrophobicContact CG2-CG1 4.12Å; I221-K240 CarbonylContact O-C 3.55Å; I221-K240 WeakPolarHBondContact O-CA 3.42Å; I221-L241 HydrophobicContact CB-CB 4.36Å; I221-L241 HydrophobicContact CD1-CD2 4.24Å; I221-L241 PolarHBondContact N-O 2.97Å; I221-L241 PolarHBondContact O-N 3.45Å; I221-L243 HydrophobicContact CD1-CD1 4.26Å |
| 222 | T | 93.6 | Very high | 82.2 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.4 | 173.2 | -56.5 | 0 | 0 | 0 | 0 | 108.7 | V140 R141 Q238 G239 K240 | V140-T222 WeakPolarHBondContact CA-O 3.49Å; R141-T222 PolarHBondContact N-O 3.19Å; R141-T222 PolarHBondContact O-N 3.07Å; T222-Q238 HydrophobicContact CG2-CG 3.82Å; T222-G239 CarbonylContact C-O 3.56Å; T222-G239 WeakPolarHBondContact CA-O 3.48Å; T222-K240 HydrophobicContact CG2-CG 4.17Å |
| 223 | I | 92.7 | Very high | 81.8 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.1 | 179.6 | -54.6 | 172.5 | 0 | 0 | 0 | 107 | V83 L84 I125 F138 V140 I221 Q238 G239 | V83-I223 HydrophobicContact CG1-CD1 4.12Å; L84-I223 HydrophobicContact CD2-CD1 3.95Å; I125-I223 HydrophobicContact CB-CD1 4.45Å; I125-I223 HydrophobicContact CD1-CD1 4.09Å; I125-I223 HydrophobicContact CG1-CD1 4.02Å; I125-I223 HydrophobicContact CG2-CD1 3.6Å; I125-I223 HydrophobicContact CG2-CG1 4.36Å; F138-I223 HydrophobicContact CD1-CG2 4.17Å; V140-I223 HydrophobicContact CG1-CG1 4.41Å; I221-I223 HydrophobicContact CG2-CG1 4.12Å; I223-Q238 CarbonylContact O-C 3.59Å; I223-Q238 VanDerWaalsContact O-CA 3.29Å; I223-Q238 WeakPolarHBondContact O-CA 3.47Å; I223-G239 PolarHBondContact N-O 2.57Å; I223-G239 PolarHBondContact O-N 2.98Å |
| 224 | E | 91.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.7 | 170.2 | -71.3 | 171.2 | -149.1 | 0 | 0 | 108.7 | F138 L139 R141 R237 Q238 M354 L355 | F138-E224 CarbonylContact C-O 3.58Å; F138-E224 VanDerWaalsContact CA-O 3.29Å; F138-E224 WeakPolarHBondContact CA-O 3.46Å; L139-E224 HydrophobicContact CB-CB 4.29Å; L139-E224 PolarHBondContact N-O 2.86Å; L139-E224 PolarHBondContact O-N 3.48Å; R141-E224 IonicContact CZ-OE1 2.73Å; R141-E224 IonicContact NE-OE1 3.56Å; R141-E224 IonicContact NH2-OE1 3.26Å; R141-E224 PolarHBondContact NH2-OE1 2.79Å; E224-R237 CarbonylContact C-O 3.58Å; E224-R237 WeakPolarHBondContact CA-O 3.34Å; E224-Q238 HydrophobicContact CG-CB 4.23Å; E224-Q238 HydrophobicContact CG-CG 3.91Å; E224-Q238 PolarHBondContact OE1-NE2 2.79Å; E224-M354 PolarHBondContact OE2-N 2.82Å; E224-L355 HydrophobicContact CB-CB 4.05Å; E224-L355 HydrophobicContact CB-CD2 4.16Å; E224-L355 WeakPolarHBondContact OE2-CB 3.43Å; E224-L355 PolarHBondContact OE2-N 3.47Å |
| 225 | C | 88.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 14% | 0.135 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.5 | 177.8 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | R137 F138 L236 R237 | R137-C225 CarbonylContact O-C 3.58Å; R137-C225 WeakPolarHBondContact O-CA 3.38Å; F138-C225 HydrophobicContact CD1-CB 3.85Å; F138-C225 HydrophobicContact CE1-CB 3.73Å; F138-C225 VanDerWaalsContact CE1-SG 3.51Å; C225-L236 CarbonylContact O-C 3.51Å; C225-L236 WeakPolarHBondContact O-CA 3.29Å; C225-R237 PolarHBondContact N-O 2.83Å; C225-R237 PolarHBondContact O-N 2.99Å |
| 226 | S | 85.1 | Confident | 81.5 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.2 | 170.7 | 177.8 | 0 | 0 | 0 | 0 | 109 | R137 L235 L355 Q359 | R137-S226 PolarHBondContact N-O 3.02Å; R137-S226 PolarHBondContact O-N 3.05Å; S226-L235 WeakPolarHBondContact CA-O 3.41Å; S226-L355 VanDerWaalsContact CB-CD2 3.45Å; S226-Q359 VanDerWaalsContact CB-NE2 3.31Å; S226-Q359 PolarHBondContact OG-NE2 2.63Å |
| 227 | E | 82 | Confident | 81.4 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 125.8 | 177 | -175 | 177.8 | 179.5 | 0 | 0 | 109.2 | T136 T234 L235 | T136-E227 HydrophobicContact CG2-CB 4.26Å; T136-E227 HydrophobicContact CG2-CG 4Å; E227-T234 CarbonylContact O-C 3.54Å; E227-T234 WeakPolarHBondContact O-CA 3.06Å; E227-L235 PolarHBondContact N-O 2.81Å; E227-L235 PolarHBondContact O-N 2.77Å |
| 228 | H | 70.1 | Confident | 81.3 | Confident | 98 Ų | 98 | 56.9 Ų | 56.9 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 101.5 | 175.3 | -162.7 | 76.5 | 0 | 0 | 0 | 109.7 | T234 | H228-T234 WeakPolarHBondContact ND1-CG2 3.49Å |
| 229 | S | 63.1 | Low | 81.2 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 144.7 | 172 | -173 | 0 | 0 | 0 | 0 | 110.4 | K231 N232 K233 | S229-K231 PolarHBondContact O-N 2.9Å; S229-N232 PolarHBondContact O-N 2.83Å; S229-K233 WeakPolarHBondContact CB-O 3.08Å; S229-K233 PolarHBondContact N-O 2.87Å |
| 230 | E | 61 | Low | 81.1 | Confident | 195 Ų | 195 | 58.6 Ų | 58.6 | 91% | 0.911 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -23.3 | 178 | -64.9 | -174.8 | 164.1 | 0 | 0 | 113.8 | N232 | E230-N232 PolarHBondContact O-N 2.87Š|
| 231 | K | 58.3 | Low | 81.1 | Confident | 180 Ų | 180 | 58 Ų | 58 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 21.4 | 178.9 | -63.6 | -175.8 | 179.8 | 176.7 | 0 | 114.4 | S229 K233 | S229-K231 PolarHBondContact O-N 2.9Å; K231-K233 PolarHBondContact O-N 2.93Å |
| 232 | N | 58.2 | Low | 81.2 | Confident | 141 Ų | 141 | 59.6 Ų | 59.6 | 75% | 0.754 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 17.7 | -174 | -89.8 | -17.7 | 0 | 0 | 0 | 114.2 | S229 E230 | S229-N232 PolarHBondContact O-N 2.83Å; E230-N232 PolarHBondContact O-N 2.87Å |
| 233 | K | 64.7 | Low | 81.3 | Confident | 148 Ų | 148 | 59 Ų | 59 | 64% | 0.643 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.3 | 174.6 | -72.2 | -170.3 | 178.7 | -173.7 | 0 | 108.9 | S229 K231 L235 | S229-K233 WeakPolarHBondContact CB-O 3.08Å; S229-K233 PolarHBondContact N-O 2.87Å; K231-K233 PolarHBondContact O-N 2.93Å; K233-L235 PolarHBondContact O-N 2.87Å |
| 234 | T | 70.5 | Confident | 81.4 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 112.8 | 164.1 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | E227 H228 | E227-T234 CarbonylContact O-C 3.54Å; E227-T234 WeakPolarHBondContact O-CA 3.06Å; H228-T234 WeakPolarHBondContact ND1-CG2 3.49Å |
| 235 | L | 81.3 | Confident | 81.6 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124.1 | 171.6 | -69 | 170.2 | 0 | 0 | 0 | 108.2 | S226 E227 K233 | S226-L235 WeakPolarHBondContact CA-O 3.41Å; E227-L235 PolarHBondContact N-O 2.81Å; E227-L235 PolarHBondContact O-N 2.77Å; K233-L235 PolarHBondContact O-N 2.87Å |
| 236 | L | 84.6 | Confident | 81.7 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.2 | 177.8 | -173.8 | 64.8 | 0 | 0 | 0 | 109.3 | C225 E348 D349 A353 L355 R356 | C225-L236 CarbonylContact O-C 3.51Å; C225-L236 WeakPolarHBondContact O-CA 3.29Å; L236-E348 CarbonylContact O-C 3.59Å; L236-E348 WeakPolarHBondContact O-CA 3.36Å; L236-D349 WeakPolarHBondContact CB-OD1 3.43Å; L236-D349 PolarHBondContact N-OD1 3.24Å; L236-D349 PolarHBondContact O-N 2.79Å; L236-A353 HydrophobicContact CD1-CB 4.4Å; L236-A353 HydrophobicContact CD2-CB 3.12Å; L236-A353 HydrophobicContact CG-CB 3.98Å; L236-L355 HydrophobicContact CD1-CB 4.15Å; L236-L355 HydrophobicContact CD1-CD2 3.81Å; L236-L355 HydrophobicContact CD1-CG 4.23Å; L236-R356 HydrophobicContact CD2-CB 4.03Å |
| 237 | R | 89.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 148.3 | 178.6 | -65.1 | -175 | 173.6 | 155.1 | -0.6 | 110.4 | E85 E224 C225 N347 E348 | E85-R237 WeakPolarHBondContact O-CD 3.36Å; E224-R237 CarbonylContact C-O 3.58Å; E224-R237 WeakPolarHBondContact CA-O 3.34Å; C225-R237 PolarHBondContact N-O 2.83Å; C225-R237 PolarHBondContact O-N 2.99Å; R237-N347 WeakPolarHBondContact CA-O 3.1Å; R237-E348 HydrophobicContact CG-CG 4.36Å; R237-E348 IonicContact CZ-OE1 3.32Å; R237-E348 IonicContact NE-OE1 3.71Å; R237-E348 PolarHBondContact NE-OE1 3.37Å; R237-E348 IonicContact NH2-OE1 3.96Å; R237-E348 PolarHBondContact NH2-OE1 3.02Å |
| 238 | Q | 91 | Very high | 82.2 | Confident | 19 Ų | 19 | 55 Ų | 55 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 118 | 175.9 | -175.5 | -179.1 | 69 | 0 | 0 | 111.8 | G86 T222 I223 E224 N347 P350 | G86-Q238 CarbonylContact C-O 3.58Å; T222-Q238 HydrophobicContact CG2-CG 3.82Å; I223-Q238 CarbonylContact O-C 3.59Å; I223-Q238 VanDerWaalsContact O-CA 3.29Å; I223-Q238 WeakPolarHBondContact O-CA 3.47Å; E224-Q238 HydrophobicContact CG-CB 4.23Å; E224-Q238 HydrophobicContact CG-CG 3.91Å; E224-Q238 PolarHBondContact OE1-NE2 2.79Å; Q238-N347 PolarHBondContact N-O 3.29Å; Q238-N347 WeakPolarHBondContact O-CB 3.5Å; Q238-N347 PolarHBondContact O-ND2 3.12Å; Q238-P350 HydrophobicContact CB-CG 3.62Å |
| 239 | G | 92.3 | Very high | 82.8 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 138.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | V83 Y87 T222 I223 | V83-G239 WeakPolarHBondContact O-CA 3.42Å; Y87-G239 VanDerWaalsContact O-CA 3.25Å; Y87-G239 WeakPolarHBondContact O-CA 3.48Å; T222-G239 CarbonylContact C-O 3.56Å; T222-G239 WeakPolarHBondContact CA-O 3.48Å; I223-G239 PolarHBondContact N-O 2.57Å; I223-G239 PolarHBondContact O-N 2.98Å |
| 240 | K | 93.8 | Very high | 83.6 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 19% | 0.191 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.6 | 169.7 | -64.3 | -179.9 | -175.8 | 174.2 | 0 | 109.5 | Y87 N88 G89 I221 T222 | Y87-K240 PolarHBondContact O-N 3.45Å; N88-K240 CarbonylContact C-O 3.54Å; N88-K240 WeakPolarHBondContact CA-O 3.34Å; N88-K240 WeakPolarHBondContact OD1-CB 3.36Å; G89-K240 PolarHBondContact N-O 2.94Å; I221-K240 CarbonylContact O-C 3.55Å; I221-K240 WeakPolarHBondContact O-CA 3.42Å; T222-K240 HydrophobicContact CG2-CG 4.17Å |
| 241 | L | 96.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.5 | 172.3 | 177.5 | 62.8 | 0 | 0 | 0 | 109.8 | I79 V80 V83 G89 I91 I125 T220 I221 L243 | I79-L241 HydrophobicContact CG2-CD1 4.17Å; V80-L241 HydrophobicContact CG2-CD2 3.99Å; V83-L241 HydrophobicContact CB-CB 4.47Å; V83-L241 HydrophobicContact CG1-CB 3.98Å; V83-L241 HydrophobicContact CG2-CB 4Å; V83-L241 HydrophobicContact CG2-CD1 4.12Å; G89-L241 CarbonylContact O-C 3.54Å; G89-L241 VanDerWaalsContact O-CA 3.32Å; G89-L241 WeakPolarHBondContact O-CA 3.28Å; I91-L241 HydrophobicContact CD1-CD1 4.24Å; I91-L241 HydrophobicContact CG1-CD1 4.38Å; I125-L241 HydrophobicContact CD1-CD2 4.09Å; T220-L241 WeakPolarHBondContact CA-O 3.34Å; I221-L241 HydrophobicContact CB-CB 4.36Å; I221-L241 HydrophobicContact CD1-CD2 4.24Å; I221-L241 PolarHBondContact N-O 2.97Å; I221-L241 PolarHBondContact O-N 3.45Å; L241-L243 HydrophobicContact CD1-CD2 3.95Å; L241-L243 HydrophobicContact CD2-CD1 4.26Å; L241-L243 HydrophobicContact CD2-CD2 4.02Å; L241-L243 HydrophobicContact CD2-CG 4.2Å; L241-L243 HydrophobicContact CG-CD2 3.89Å; L241-L243 HydrophobicContact CG-CG 4Å |
| 242 | H | 96.3 | Very high | 83.8 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 117.6 | 172.4 | -59.1 | -69.2 | 0 | 0 | 0 | 109.6 | G89 T90 I91 T220 V244 | G89-H242 PolarHBondContact O-N 2.92Å; T90-H242 CarbonylContact C-O 3.6Å; T90-H242 WeakPolarHBondContact CA-O 3.2Å; T90-H242 HydrophobicContact CG2-CB 4.02Å; I91-H242 PolarHBondContact N-O 3.47Å; T220-H242 VanDerWaalsContact CG2-CE1 3.42Å; T220-H242 WeakPolarHBondContact CG2-CE1 3.42Å; T220-H242 WeakPolarHBondContact CG2-ND1 3.43Å; T220-H242 PolarHBondContact OG1-ND1 3.42Å; H242-V244 HydrophobicContact CB-CG2 4.35Å |
| 243 | L | 96.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.2 | 175.1 | -59.3 | 174.8 | 0 | 0 | 0 | 107.8 | I91 M105 I117 I118 Y219 I221 L241 | I91-L243 HydrophobicContact CB-CD2 4.07Å; I91-L243 HydrophobicContact CD1-CD2 4.01Å; I91-L243 HydrophobicContact CG1-CD2 4.37Å; M105-L243 HydrophobicContact CE-CB 3.75Å; M105-L243 HydrophobicContact CE-CD2 4.38Å; I117-L243 HydrophobicContact CG2-CD2 4.16Å; I118-L243 HydrophobicContact CB-CD1 4.14Å; I118-L243 HydrophobicContact CG1-CB 4.05Å; I118-L243 HydrophobicContact CG1-CD1 3.78Å; I118-L243 HydrophobicContact CG1-CG 4.44Å; I118-L243 HydrophobicContact CG2-CD1 4.03Å; Y219-L243 PolarHBondContact N-O 2.84Å; Y219-L243 PolarHBondContact O-N 2.87Å; I221-L243 HydrophobicContact CD1-CD1 4.26Å; L241-L243 HydrophobicContact CD1-CD2 3.95Å; L241-L243 HydrophobicContact CD2-CD1 4.26Å; L241-L243 HydrophobicContact CD2-CD2 4.02Å; L241-L243 HydrophobicContact CD2-CG 4.2Å; L241-L243 HydrophobicContact CG-CD2 3.89Å; L241-L243 HydrophobicContact CG-CG 4Å |
| 244 | V | 95.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.4 | -168.4 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | T90 I91 F92 A93 A217 I218 H242 L246 L301 | T90-V244 HydrophobicContact CG2-CG2 4.35Å; I91-V244 PolarHBondContact O-N 2.92Å; F92-V244 VanDerWaalsContact CA-O 3.28Å; F92-V244 WeakPolarHBondContact CA-O 3.23Å; F92-V244 HydrophobicContact CB-CB 3.63Å; F92-V244 HydrophobicContact CB-CG1 4.23Å; F92-V244 HydrophobicContact CB-CG2 4.28Å; A93-V244 PolarHBondContact N-O 3.35Å; A217-V244 CarbonylContact O-C 3.56Å; A217-V244 WeakPolarHBondContact O-CA 3.47Å; I218-V244 HydrophobicContact CG1-CB 4.44Å; I218-V244 HydrophobicContact CG1-CG1 3.84Å; I218-V244 HydrophobicContact CG1-CG2 4.11Å; I218-V244 HydrophobicContact CG2-CG2 4.31Å; H242-V244 HydrophobicContact CB-CG2 4.35Å; V244-L246 HydrophobicContact CG1-CD2 3.58Å; V244-L246 HydrophobicContact CG1-CG 4.02Å; V244-L301 HydrophobicContact CG2-CD2 4.09Å |
| 245 | D | 94.1 | Very high | 81.8 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 103.6 | 168.6 | -169.7 | 15.7 | 0 | 0 | 0 | 108.1 | K101 T102 M105 H216 A217 | K101-D245 WeakPolarHBondContact CB-OD1 3.42Å; T102-D245 WeakPolarHBondContact CB-OD2 3.39Å; T102-D245 PolarHBondContact OG1-OD2 3Å; M105-D245 HydrophobicContact CG-CB 4.32Å; H216-D245 WeakPolarHBondContact CA-O 3.47Å; A217-D245 HydrophobicContact CB-CB 4.46Å; A217-D245 PolarHBondContact N-O 3.46Å; A217-D245 PolarHBondContact O-N 3.45Å |
| 246 | L | 91.9 | Very high | 80.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 156.2 | -178 | -62.8 | 174.6 | 0 | 0 | 0 | 111.3 | F92 A93 Y94 K101 H216 V244 L272 L275 L297 | F92-L246 HydrophobicContact CD2-CD1 3.82Å; F92-L246 HydrophobicContact CE2-CD1 4.45Å; A93-L246 WeakPolarHBondContact O-CB 3.5Å; A93-L246 PolarHBondContact O-N 2.94Å; Y94-L246 HydrophobicContact CD2-CD1 3.9Å; K101-L246 WeakPolarHBondContact CE-O 3.41Å; H216-L246 HydrophobicContact CB-CD2 4.41Å; H216-L246 WeakPolarHBondContact ND1-CA 3.25Å; H216-L246 WeakPolarHBondContact ND1-CD2 3.43Å; V244-L246 HydrophobicContact CG1-CD2 3.58Å; V244-L246 HydrophobicContact CG1-CG 4.02Å; L246-L272 HydrophobicContact CB-CD2 4.45Å; L246-L272 HydrophobicContact CD1-CD2 4.39Å; L246-L275 HydrophobicContact CD1-CD2 4.07Å; L246-L297 HydrophobicContact CD2-CD1 3.99Å; L246-L297 HydrophobicContact CD2-CD2 3.85Å |
| 247 | A | 88.6 | Confident | 78.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 163.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S213 H216 S249 L272 | S213-A247 CarbonylContact O-C 3.53Å; S213-A247 WeakPolarHBondContact O-CA 3.48Å; S213-A247 WeakPolarHBondContact O-CB 3.42Å; H216-A247 WeakPolarHBondContact CE1-CB 3.27Å; H216-A247 PolarHBondContact CE1-N 3.49Å; H216-A247 VanDerWaalsContact CE1-N 3.32Å; H216-A247 PolarHBondContact ND1-N 3.41Å; A247-S249 PolarHBondContact O-N 2.92Å; A247-L272 HydrophobicContact CB-CD1 4.31Å |
| 248 | G | 87.3 | Confident | 76.5 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 6% | 0.062 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 129.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T97 S213 E250 L272 | T97-G248 WeakPolarHBondContact OG1-CA 3.41Å; S213-G248 PolarHBondContact O-N 2.96Å; G248-E250 WeakPolarHBondContact CA-OE2 3.22Å; G248-E250 PolarHBondContact O-N 3.37Å; G248-L272 VanDerWaalsContact O-CD1 3.22Å; G248-L272 WeakPolarHBondContact O-CD1 3.08Å |
| 249 | S | 83.9 | Confident | 75.2 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | trans | -80.3 | -2.1 | 177.1 | 67.9 | 0 | 0 | 0 | 0 | 114.3 | Y94 G95 Q96 A247 | Y94-S249 WeakPolarHBondContact OH-CB 3.42Å; G95-S249 WeakPolarHBondContact CA-OG 3.32Å; G95-S249 PolarHBondContact O-N 3.15Å; G95-S249 PolarHBondContact O-OG 3.03Å; Q96-S249 PolarHBondContact N-OG 3.32Å; Q96-S249 VanDerWaalsContact N-OG 3.09Å; A247-S249 PolarHBondContact O-N 2.92Å | ||
| 250 | E | 78.8 | Confident | 73.5 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 19% | 0.187 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -62.9 | 143 | -178.2 | 64.8 | -80.4 | -169.8 | 0 | 0 | 112.4 | Q96 T97 G248 Q252 E326 | Q96-E250 VanDerWaalsContact CA-OE2 3.25Å; Q96-E250 WeakPolarHBondContact CA-OE2 3.35Å; Q96-E250 HydrophobicContact CB-CB 4.13Å; T97-E250 WeakPolarHBondContact CB-OE1 3.4Å; T97-E250 PolarHBondContact N-OE2 3.39Å; T97-E250 PolarHBondContact OG1-OE1 2.97Å; T97-E250 PolarHBondContact OG1-OE2 3.14Å; G248-E250 WeakPolarHBondContact CA-OE2 3.22Å; G248-E250 PolarHBondContact O-N 3.37Å; E250-Q252 PolarHBondContact O-N 3.22Å; E250-E326 WeakPolarHBondContact CA-OE2 3.37Å |
| 251 | R | 64.3 | Low | 71.9 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | trans | -73.1 | 117.7 | 178.2 | -61.8 | 179.2 | -175.3 | -151.7 | -6.3 | 109.5 | A253 E326 E567 E571 | R251-A253 PolarHBondContact O-N 3.31Å; R251-E326 PolarHBondContact N-OE1 3.43Å; R251-E567 IonicContact CZ-OE1 3.76Å; R251-E567 IonicContact NH2-OE1 3.49Å; R251-E567 PolarHBondContact NH2-OE1 3.2Å; R251-E571 IonicContact CZ-OE1 3.64Å; R251-E571 VanDerWaalsContact NH1-CG 3.27Å; R251-E571 IonicContact NH1-OE1 3.68Å; R251-E571 IonicContact NH2-OE1 3.91Å; R251-E571 PolarHBondContact NH2-OE1 2.86Å | ||
| 252 | Q | 59.5 | Low | 70.1 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 14% | 0.136 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -69.6 | 6.6 | 179.4 | -64.9 | -68.9 | -30.1 | 0 | 0 | 114.7 | E250 K254 T255 N269 | E250-Q252 PolarHBondContact O-N 3.22Å; Q252-K254 PolarHBondContact O-N 3.11Å; Q252-T255 PolarHBondContact O-N 3.41Å; Q252-T255 PolarHBondContact O-OG1 3.25Å; Q252-N269 WeakPolarHBondContact CG-OD1 3.46Å |
| 253 | A | 54.1 | Low | 68.5 | Low | 98 Ų | 98 | 60 Ų | 60 | 81% | 0.81 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -54.7 | -7.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | R251 | R251-A253 PolarHBondContact O-N 3.31Š|
| 254 | K | 47.3 | Very low | 66.7 | Low | 200 Ų | 200 | 62.3 Ų | 62.3 | 87% | 0.87 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -89.3 | -7.9 | 176.9 | -66.7 | -175.5 | 178.3 | 175.5 | 0 | 115.6 | Q252 G256 | Q252-K254 PolarHBondContact O-N 3.11Å; K254-G256 VanDerWaalsContact C-N 3.33Å; K254-G256 PolarHBondContact O-N 3.16Å |
| 255 | T | 50.9 | Low | 65 | Low | 71 Ų | 71 | 62.6 Ų | 62.6 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | trans | -75.9 | -15.5 | -166.9 | 55.5 | 0 | 0 | 0 | 0 | 115 | Q252 A257 | Q252-T255 PolarHBondContact O-N 3.41Å; Q252-T255 PolarHBondContact O-OG1 3.25Å; T255-A257 PolarHBondContact O-N 3.13Å | ||
| 256 | G | 45.9 | Very low | 63.6 | Low | 75 Ų | 75 | 64.2 Ų | 64.2 | 77% | 0.773 | 35% | 0.353 | S | S | * | . | trans | 53.1 | 20.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K254 | K254-G256 VanDerWaalsContact C-N 3.33Å; K254-G256 PolarHBondContact O-N 3.16Å | ||
| 257 | A | 50 | Low | 62.3 | Low | 15 Ų | 15 | 69.1 Ų | 69.1 | 12% | 0.124 | 37% | 0.374 | C | S | . | . | trans | -79.9 | 131.2 | -167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T255 R261 | T255-A257 PolarHBondContact O-N 3.13Å; A257-R261 HydrophobicContact CB-CB 3.7Å | ||
| 258 | T | 48.7 | Very low | 61 | Low | 114 Ų | 114 | 69.4 Ų | 69.4 | 70% | 0.699 | 38% | 0.375 | S | S | * | . | trans | -111.6 | 150.6 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 259 | G | 62.6 | Low | 59.9 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -133.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R261 L262 Q263 | G259-R261 PolarHBondContact O-N 2.87Å; G259-R261 VanDerWaalsContact O-N 3.15Å; G259-L262 VanDerWaalsContact O-CB 3.3Å; G259-L262 WeakPolarHBondContact O-CB 3.25Å; G259-L262 PolarHBondContact O-N 3.02Å; G259-Q263 PolarHBondContact O-N 3.13Å |
| 260 | K | 58.1 | Low | 59.5 | Low | 180 Ų | 180 | 73.6 Ų | 73.6 | 78% | 0.783 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -55.3 | -35.4 | -175.2 | -76.7 | -172.6 | 176.2 | -176.9 | 0 | 114 | L262 Q263 E264 | K260-L262 VanDerWaalsContact C-N 3.25Å; K260-L262 PolarHBondContact O-N 3.1Å; K260-Q263 PolarHBondContact O-N 3.2Å; K260-E264 WeakPolarHBondContact O-CB 3.27Å; K260-E264 PolarHBondContact O-N 2.94Å |
| 261 | R | 58.8 | Low | 59.7 | Low | 180 Ų | 180 | 71.9 Ų | 71.9 | 68% | 0.679 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -29.1 | 177.8 | -74 | -175.6 | 178 | 173.1 | -0.1 | 112.6 | A257 G259 A265 | A257-R261 HydrophobicContact CB-CB 3.7Å; G259-R261 PolarHBondContact O-N 2.87Å; G259-R261 VanDerWaalsContact O-N 3.15Å; R261-A265 WeakPolarHBondContact O-CB 3.41Å; R261-A265 PolarHBondContact O-N 3.3Å |
| 262 | L | 59.3 | Low | 60.6 | Low | 22 Ų | 22 | 68.6 Ų | 68.6 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.7 | -45.6 | 174.2 | 178.9 | 84.1 | 0 | 0 | 0 | 111.1 | G259 K260 E264 A265 N266 Q581 | G259-L262 VanDerWaalsContact O-CB 3.3Å; G259-L262 WeakPolarHBondContact O-CB 3.25Å; G259-L262 PolarHBondContact O-N 3.02Å; K260-L262 VanDerWaalsContact C-N 3.25Å; K260-L262 PolarHBondContact O-N 3.1Å; L262-E264 PolarHBondContact O-N 2.9Å; L262-A265 CarbonylContact O-C 3.57Å; L262-A265 WeakPolarHBondContact O-CA 3.32Å; L262-A265 WeakPolarHBondContact O-CB 3.4Å; L262-A265 PolarHBondContact O-N 3.18Å; L262-N266 WeakPolarHBondContact O-CB 3.28Å; L262-N266 PolarHBondContact O-N 3.3Å; L262-Q581 HydrophobicContact CD2-CB 3.88Å; L262-Q581 HydrophobicContact CD2-CG 4.12Å |
| 263 | Q | 61.7 | Low | 61.6 | Low | 70 Ų | 70 | 71.1 Ų | 71.1 | 33% | 0.327 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 175.1 | -69.2 | -177.7 | -11.2 | 0 | 0 | 110.8 | G259 K260 K267 E585 | G259-Q263 PolarHBondContact O-N 3.13Å; K260-Q263 PolarHBondContact O-N 3.2Å; Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 WeakPolarHBondContact O-CG 3.32Å; Q263-K267 PolarHBondContact O-N 3.44Å; Q263-E585 PolarHBondContact NE2-OE1 2.81Å; Q263-E585 PolarHBondContact NE2-OE2 2.84Å |
| 264 | E | 59.6 | Low | 63 | Low | 51 Ų | 51 | 66.7 Ų | 66.7 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 171.5 | -166.4 | -163.5 | 135 | 0 | 0 | 111.6 | Y148 R214 K260 L262 N266 K267 I268 | Y148-E264 PolarHBondContact OH-OE1 2.87Å; R214-E264 IonicContact CZ-OE1 2.85Å; R214-E264 IonicContact NH1-OE1 2.66Å; R214-E264 PolarHBondContact NH1-OE1 2.92Å; R214-E264 IonicContact NH2-OE1 3.73Å; R214-E264 PolarHBondContact NH2-OE1 2.86Å; K260-E264 WeakPolarHBondContact O-CB 3.27Å; K260-E264 PolarHBondContact O-N 2.94Å; L262-E264 PolarHBondContact O-N 2.9Å; E264-N266 PolarHBondContact O-N 2.86Å; E264-K267 PolarHBondContact O-N 2.98Å; E264-I268 HydrophobicContact CG-CD1 3.84Å; E264-I268 WeakPolarHBondContact O-CB 3.18Å; E264-I268 WeakPolarHBondContact O-CD1 3.22Å; E264-I268 WeakPolarHBondContact O-CG1 3.46Å; E264-I268 PolarHBondContact O-N 2.94Å |
| 265 | A | 59.3 | Low | 64.9 | Low | 6 Ų | 6 | 57.2 Ų | 57.2 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R261 L262 I268 N269 | R261-A265 WeakPolarHBondContact O-CB 3.41Å; R261-A265 PolarHBondContact O-N 3.3Å; L262-A265 CarbonylContact O-C 3.57Å; L262-A265 WeakPolarHBondContact O-CA 3.32Å; L262-A265 WeakPolarHBondContact O-CB 3.4Å; L262-A265 PolarHBondContact O-N 3.18Å; A265-I268 PolarHBondContact O-N 2.94Å; A265-N269 PolarHBondContact O-N 3.48Å; A265-N269 PolarHBondContact O-ND2 2.86Å |
| 266 | N | 64.5 | Low | 66.5 | Low | 46 Ų | 46 | 54.2 Ų | 54.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.6 | -79.2 | -17.8 | 0 | 0 | 0 | 111.3 | L262 E264 L270 N578 | L262-N266 WeakPolarHBondContact O-CB 3.28Å; L262-N266 PolarHBondContact O-N 3.3Å; E264-N266 PolarHBondContact O-N 2.86Å; N266-L270 PolarHBondContact O-N 3.21Å; N266-N578 PolarHBondContact OD1-ND2 3.49Å; N266-N578 PolarHBondContact OD1-OD1 3.1Å |
| 267 | K | 65.6 | Low | 68.3 | Low | 103 Ų | 103 | 54.8 Ų | 54.8 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 175.7 | -77.9 | -174.4 | 176.6 | -167.6 | 0 | 113 | N149 Q263 E264 L270 | N149-K267 WeakPolarHBondContact OD1-CB 3.05Å; N149-K267 WeakPolarHBondContact OD1-CD 3.36Å; Q263-K267 WeakPolarHBondContact O-CB 3.46Å; Q263-K267 WeakPolarHBondContact O-CG 3.32Å; Q263-K267 PolarHBondContact O-N 3.44Å; E264-K267 PolarHBondContact O-N 2.98Å; K267-L270 WeakPolarHBondContact O-CB 3.41Å; K267-L270 PolarHBondContact O-N 3.31Å |
| 268 | I | 60.3 | Low | 70 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.8 | -74.7 | 164 | 0 | 0 | 0 | 110.8 | Y148 R214 E264 A265 L270 S271 | Y148-I268 HydrophobicContact CE2-CD1 4.01Å; Y148-I268 HydrophobicContact CE2-CG1 4.46Å; R214-I268 HydrophobicContact CB-CD1 4.43Å; R214-I268 HydrophobicContact CB-CG2 4.38Å; E264-I268 HydrophobicContact CG-CD1 3.84Å; E264-I268 WeakPolarHBondContact O-CB 3.18Å; E264-I268 WeakPolarHBondContact O-CD1 3.22Å; E264-I268 WeakPolarHBondContact O-CG1 3.46Å; E264-I268 PolarHBondContact O-N 2.94Å; A265-I268 PolarHBondContact O-N 2.94Å; I268-L270 VanDerWaalsContact C-N 3.3Å; I268-L270 PolarHBondContact O-N 2.85Å; I268-S271 PolarHBondContact O-OG 3.41Å |
| 269 | N | 64.3 | Low | 71.8 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 23% | 0.225 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.8 | -21.2 | 179.1 | -65.8 | -30.3 | 0 | 0 | 0 | 113.1 | Q252 A265 S271 L272 T273 | Q252-N269 WeakPolarHBondContact CG-OD1 3.46Å; A265-N269 PolarHBondContact O-N 3.48Å; A265-N269 PolarHBondContact O-ND2 2.86Å; N269-S271 PolarHBondContact O-N 3.46Å; N269-L272 PolarHBondContact O-N 3.21Å; N269-T273 VanDerWaalsContact O-CB 3.28Å; N269-T273 WeakPolarHBondContact O-CB 3.22Å; N269-T273 PolarHBondContact O-N 2.9Å; N269-T273 PolarHBondContact O-OG1 2.93Å |
| 270 | L | 76.8 | Confident | 72.8 | Confident | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53.1 | -44.5 | 179.3 | -177.5 | 59.9 | 0 | 0 | 0 | 111.6 | E150 N266 K267 I268 T274 | E150-L270 HydrophobicContact CG-CD2 4.04Å; N266-L270 PolarHBondContact O-N 3.21Å; K267-L270 WeakPolarHBondContact O-CB 3.41Å; K267-L270 PolarHBondContact O-N 3.31Å; I268-L270 VanDerWaalsContact C-N 3.3Å; I268-L270 PolarHBondContact O-N 2.85Å; L270-T274 WeakPolarHBondContact CD1-OG1 3.42Å; L270-T274 WeakPolarHBondContact O-CB 3.45Å; L270-T274 PolarHBondContact O-N 3.27Å; L270-T274 PolarHBondContact O-OG1 3.11Å |
| 271 | S | 82.4 | Confident | 74 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -53.9 | -179.4 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | E150 H216 I268 N269 L275 S295 | E150-S271 WeakPolarHBondContact OE1-CB 3.43Å; E150-S271 PolarHBondContact OE1-N 3.05Å; H216-S271 WeakPolarHBondContact NE2-CB 3.23Å; H216-S271 PolarHBondContact NE2-OG 3.3Å; I268-S271 PolarHBondContact O-OG 3.41Å; N269-S271 PolarHBondContact O-N 3.46Å; S271-L275 WeakPolarHBondContact O-CB 3.32Å; S271-L275 PolarHBondContact O-N 3.22Å; S271-S295 WeakPolarHBondContact CA-OG 3.47Å |
| 272 | L | 83.8 | Confident | 75.3 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76 | -36.9 | -177.9 | -69.1 | -178.6 | 0 | 0 | 0 | 112.9 | Y94 L246 A247 G248 N269 T274 L275 G276 L297 | Y94-L272 HydrophobicContact CD2-CD2 4.48Å; Y94-L272 HydrophobicContact CE2-CD2 4.19Å; L246-L272 HydrophobicContact CB-CD2 4.45Å; L246-L272 HydrophobicContact CD1-CD2 4.39Å; A247-L272 HydrophobicContact CB-CD1 4.31Å; G248-L272 VanDerWaalsContact O-CD1 3.22Å; G248-L272 WeakPolarHBondContact O-CD1 3.08Å; N269-L272 PolarHBondContact O-N 3.21Å; L272-T274 VanDerWaalsContact C-N 3.34Å; L272-L275 HydrophobicContact CD2-CD2 4.26Å; L272-L275 WeakPolarHBondContact O-CB 3.41Å; L272-L275 PolarHBondContact O-N 3.41Å; L272-G276 PolarHBondContact O-N 3.41Å; L272-L297 HydrophobicContact CD2-CD2 4.48Å |
| 273 | T | 79.6 | Confident | 76.4 | Confident | 83 Ų | 83 | 34.5 Ų | 34.5 | 51% | 0.509 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.1 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | N269 L275 G276 N277 | N269-T273 VanDerWaalsContact O-CB 3.28Å; N269-T273 WeakPolarHBondContact O-CB 3.22Å; N269-T273 PolarHBondContact O-N 2.9Å; N269-T273 PolarHBondContact O-OG1 2.93Å; T273-L275 VanDerWaalsContact C-N 3.35Å; T273-L275 PolarHBondContact O-N 2.84Å; T273-G276 PolarHBondContact O-N 2.93Å; T273-N277 PolarHBondContact O-N 2.88Å |
| 274 | T | 83.2 | Confident | 77.2 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.025 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L270 L272 G276 N277 V278 N294 T298 | L270-T274 WeakPolarHBondContact CD1-OG1 3.42Å; L270-T274 WeakPolarHBondContact O-CB 3.45Å; L270-T274 PolarHBondContact O-N 3.27Å; L270-T274 PolarHBondContact O-OG1 3.11Å; L272-T274 VanDerWaalsContact C-N 3.34Å; T274-G276 VanDerWaalsContact C-N 3.29Å; T274-G276 PolarHBondContact O-N 3.18Å; T274-N277 WeakPolarHBondContact O-CB 3.43Å; T274-N277 PolarHBondContact O-N 3.33Å; T274-N277 VanDerWaalsContact O-N 3.12Å; T274-V278 HydrophobicContact CG2-CG2 4.39Å; T274-V278 WeakPolarHBondContact O-CG2 3.32Å; T274-V278 PolarHBondContact O-N 3.42Å; T274-N294 HydrophobicContact CG2-CB 3.52Å; T274-T298 HydrophobicContact CG2-CG2 3.88Å |
| 275 | L | 87.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 174.6 | -163.4 | 71.1 | 0 | 0 | 0 | 110.9 | L246 S271 L272 T273 N277 V278 I279 T298 L301 L305 Y333 | L246-L275 HydrophobicContact CD1-CD2 4.07Å; S271-L275 WeakPolarHBondContact O-CB 3.32Å; S271-L275 PolarHBondContact O-N 3.22Å; L272-L275 HydrophobicContact CD2-CD2 4.26Å; L272-L275 WeakPolarHBondContact O-CB 3.41Å; L272-L275 PolarHBondContact O-N 3.41Å; T273-L275 VanDerWaalsContact C-N 3.35Å; T273-L275 PolarHBondContact O-N 2.84Å; L275-N277 PolarHBondContact O-N 2.78Å; L275-V278 PolarHBondContact O-N 3.47Å; L275-I279 WeakPolarHBondContact O-CG1 3.45Å; L275-I279 PolarHBondContact O-N 2.83Å; L275-T298 HydrophobicContact CB-CG2 4.05Å; L275-T298 HydrophobicContact CD1-CG2 3.7Å; L275-L301 HydrophobicContact CD1-CD1 4.38Å; L275-L305 HydrophobicContact CD1-CD1 3.37Å; L275-L305 HydrophobicContact CG-CD1 4.37Å; L275-Y333 VanDerWaalsContact CD2-OH 3.24Å; L275-Y333 WeakPolarHBondContact CD2-OH 3.44Å; L275-Y333 WeakPolarHBondContact CG-OH 3.34Å |
| 276 | G | 84 | Confident | 78.3 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L272 T273 T274 I279 S280 Y333 | L272-G276 PolarHBondContact O-N 3.41Å; T273-G276 PolarHBondContact O-N 2.93Å; T274-G276 VanDerWaalsContact C-N 3.29Å; T274-G276 PolarHBondContact O-N 3.18Å; G276-I279 PolarHBondContact O-N 2.75Å; G276-S280 PolarHBondContact O-N 3.49Å; G276-S280 PolarHBondContact O-OG 2.9Å; G276-Y333 VanDerWaalsContact CA-CE2 3.49Å |
| 277 | N | 83.6 | Confident | 78.4 | Confident | 88 Ų | 88 | 46.1 Ų | 46.1 | 47% | 0.471 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.2 | -41.3 | 175.5 | -68.5 | -18 | 0 | 0 | 0 | 111.7 | T273 T274 L275 S280 A281 P291 | T273-N277 PolarHBondContact O-N 2.88Å; T274-N277 WeakPolarHBondContact O-CB 3.43Å; T274-N277 PolarHBondContact O-N 3.33Å; T274-N277 VanDerWaalsContact O-N 3.12Å; L275-N277 PolarHBondContact O-N 2.78Å; N277-S280 PolarHBondContact O-N 3.19Å; N277-A281 WeakPolarHBondContact O-CB 3.42Å; N277-A281 PolarHBondContact O-N 3.45Å; N277-P291 HydrophobicContact CB-CG 4.4Å |
| 278 | V | 86.1 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | 174.7 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | T274 L275 S280 A281 L282 I290 P291 Y292 T298 | T274-V278 HydrophobicContact CG2-CG2 4.39Å; T274-V278 WeakPolarHBondContact O-CG2 3.32Å; T274-V278 PolarHBondContact O-N 3.42Å; L275-V278 PolarHBondContact O-N 3.47Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.2Å; V278-A281 PolarHBondContact O-N 3.27Å; V278-L282 HydrophobicContact CG1-CD1 3.75Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.38Å; V278-L282 PolarHBondContact O-N 3.38Å; V278-I290 HydrophobicContact CB-CG2 4.33Å; V278-I290 HydrophobicContact CG1-CG2 3.81Å; V278-I290 HydrophobicContact CG2-CG2 4.21Å; V278-P291 HydrophobicContact CG2-CG 3.93Å; V278-Y292 HydrophobicContact CG1-CD1 3.85Å; V278-Y292 HydrophobicContact CG1-CE1 3.5Å; V278-Y292 VanDerWaalsContact CG1-CE1 3.5Å; V278-Y292 HydrophobicContact CG2-CD1 4.32Å; V278-T298 HydrophobicContact CG2-CG2 4.1Å |
| 279 | I | 86.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.7 | -67.2 | -168.8 | 0 | 0 | 0 | 111.1 | L275 G276 A281 L282 V283 Y333 R336 A337 I340 | L275-I279 WeakPolarHBondContact O-CG1 3.45Å; L275-I279 PolarHBondContact O-N 2.83Å; G276-I279 PolarHBondContact O-N 2.75Å; I279-A281 PolarHBondContact O-N 2.86Å; I279-L282 PolarHBondContact O-N 2.78Å; I279-V283 HydrophobicContact CG2-CG2 4.25Å; I279-V283 WeakPolarHBondContact O-CB 3.39Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 2.91Å; I279-Y333 HydrophobicContact CD1-CD1 4.29Å; I279-Y333 HydrophobicContact CD1-CE1 3.38Å; I279-Y333 HydrophobicContact CD1-CE2 4.3Å; I279-Y333 WeakPolarHBondContact CD1-OH 3.39Å; I279-R336 HydrophobicContact CG2-CB 3.89Å; I279-A337 HydrophobicContact CD1-CB 3.96Å; I279-A337 HydrophobicContact CG2-CB 4.49Å; I279-I340 HydrophobicContact CB-CD1 4.11Å; I279-I340 HydrophobicContact CD1-CD1 3.98Å; I279-I340 HydrophobicContact CG1-CD1 3.64Å; I279-I340 HydrophobicContact CG2-CD1 3.89Å; I279-I340 HydrophobicContact CG2-CG1 4.32Å |
| 280 | S | 82.6 | Confident | 80.4 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | -179.2 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | G276 N277 V278 L282 V283 D284 R336 | G276-S280 PolarHBondContact O-N 3.49Å; G276-S280 PolarHBondContact O-OG 2.9Å; N277-S280 PolarHBondContact O-N 3.19Å; V278-S280 VanDerWaalsContact C-N 3.35Å; V278-S280 PolarHBondContact O-N 3.2Å; S280-L282 VanDerWaalsContact C-N 3.33Å; S280-L282 PolarHBondContact O-N 3.02Å; S280-V283 PolarHBondContact O-N 3.46Å; S280-D284 WeakPolarHBondContact O-CB 3.39Å; S280-D284 PolarHBondContact O-N 3.35Å; S280-R336 PolarHBondContact OG-NH1 3.31Å |
| 281 | A | 83.2 | Confident | 80.8 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N277 V278 I279 G285 | N277-A281 WeakPolarHBondContact O-CB 3.42Å; N277-A281 PolarHBondContact O-N 3.45Å; V278-A281 PolarHBondContact O-N 3.27Å; I279-A281 PolarHBondContact O-N 2.86Å; A281-G285 PolarHBondContact O-N 2.84Å |
| 282 | L | 85.9 | Confident | 80.9 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -41 | 177.5 | -80 | 167.7 | 0 | 0 | 0 | 112.8 | V278 I279 S280 I290 L305 I340 | V278-L282 HydrophobicContact CG1-CD1 3.75Å; V278-L282 HydrophobicContact CG1-CG 4.46Å; V278-L282 WeakPolarHBondContact O-CB 3.49Å; V278-L282 VanDerWaalsContact O-CG 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.38Å; V278-L282 PolarHBondContact O-N 3.38Å; I279-L282 PolarHBondContact O-N 2.78Å; S280-L282 VanDerWaalsContact C-N 3.33Å; S280-L282 PolarHBondContact O-N 3.02Å; L282-I290 HydrophobicContact CD2-CD1 3.48Å; L282-I290 VanDerWaalsContact CD2-CD1 3.48Å; L282-I290 HydrophobicContact CD2-CG1 4.36Å; L282-I290 HydrophobicContact CG-CD1 4.19Å; L282-I290 HydrophobicContact CG-CG2 4.34Å; L282-L305 HydrophobicContact CD1-CB 4.22Å; L282-L305 WeakPolarHBondContact CD1-O 3.44Å; L282-I340 HydrophobicContact CB-CG1 4.37Å; L282-I340 HydrophobicContact CD1-CD1 4.49Å; L282-I340 HydrophobicContact CD1-CG2 4.11Å |
| 283 | V | 83.7 | Confident | 81 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.8 | -43.2 | -177.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | I279 S280 G285 R336 N339 I340 | I279-V283 HydrophobicContact CG2-CG2 4.25Å; I279-V283 WeakPolarHBondContact O-CB 3.39Å; I279-V283 WeakPolarHBondContact O-CG2 3.3Å; I279-V283 PolarHBondContact O-N 2.91Å; S280-V283 PolarHBondContact O-N 3.46Å; V283-G285 PolarHBondContact O-N 3.14Å; V283-R336 WeakPolarHBondContact CG2-O 3.14Å; V283-N339 HydrophobicContact CG1-CB 3.93Å; V283-N339 HydrophobicContact CG2-CB 4.08Å; V283-I340 HydrophobicContact CG2-CG1 3.97Å |
| 284 | D | 78 | Confident | 81.1 | Confident | 111 Ų | 111 | 60 Ų | 60 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -30.1 | -179.7 | -74.9 | -18.8 | 0 | 0 | 0 | 111.6 | S280 K286 | S280-D284 WeakPolarHBondContact O-CB 3.39Å; S280-D284 PolarHBondContact O-N 3.35Å; D284-K286 PolarHBondContact O-N 3.47Å |
| 285 | G | 71.7 | Confident | 81.3 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 63% | 0.629 | 33% | 0.326 | S | S | * | . | trans | 63.2 | -5.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A281 V283 | A281-G285 PolarHBondContact O-N 2.84Å; V283-G285 PolarHBondContact O-N 3.14Å | ||
| 286 | K | 70.2 | Confident | 81.3 | Confident | 188 Ų | 188 | 61.9 Ų | 61.9 | 82% | 0.817 | 34% | 0.335 | S | S | * | . | trans | -77.9 | -29.1 | 178.4 | -67.5 | 174.8 | -173.6 | 175.2 | 0 | 112.2 | D284 T288 | D284-K286 PolarHBondContact O-N 3.47Å; K286-T288 PolarHBondContact O-N 3.23Å | ||
| 287 | S | 66.7 | Low | 81.6 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 41% | 0.406 | 33% | 0.331 | S | S | . | . | trans | -80.5 | 118.7 | 178.8 | -166.1 | 0 | 0 | 0 | 0 | 109.7 | H289 | S287-H289 VanDerWaalsContact C-N 3.3Å; S287-H289 PolarHBondContact OG-O 2.99Å | ||
| 288 | T | 71.3 | Confident | 81.8 | Confident | 151 Ų | 151 | 57.3 Ų | 57.3 | 93% | 0.926 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.6 | -27.7 | 171.7 | 45.2 | 0 | 0 | 0 | 0 | 112.1 | K286 | K286-T288 PolarHBondContact O-N 3.23Š|
| 289 | H | 77.9 | Confident | 81.9 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | trans | -105.2 | 122.9 | 179.7 | -175.4 | -97 | 0 | 0 | 0 | 110.8 | S287 | S287-H289 VanDerWaalsContact C-N 3.3Å; S287-H289 PolarHBondContact OG-O 2.99Å | ||
| 290 | I | 83.9 | Confident | 82.1 | Confident | 47 Ų | 47 | 60 Ų | 60 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | trans | -104.9 | 124.3 | 177.3 | -57 | 160.2 | 0 | 0 | 0 | 108.3 | V278 L282 Y292 | V278-I290 HydrophobicContact CB-CG2 4.33Å; V278-I290 HydrophobicContact CG1-CG2 3.81Å; V278-I290 HydrophobicContact CG2-CG2 4.21Å; L282-I290 HydrophobicContact CD2-CD1 3.48Å; L282-I290 VanDerWaalsContact CD2-CD1 3.48Å; L282-I290 HydrophobicContact CD2-CG1 4.36Å; L282-I290 HydrophobicContact CG-CD1 4.19Å; L282-I290 HydrophobicContact CG-CG2 4.34Å; I290-Y292 HydrophobicContact CB-CD2 3.83Å; I290-Y292 HydrophobicContact CB-CE2 3.5Å; I290-Y292 VanDerWaalsContact CB-CE2 3.5Å; I290-Y292 HydrophobicContact CD1-CE2 3.87Å; I290-Y292 HydrophobicContact CG1-CE2 4.31Å; I290-Y292 HydrophobicContact CG2-CD1 4.32Å; I290-Y292 HydrophobicContact CG2-CD2 3.64Å; I290-Y292 HydrophobicContact CG2-CE1 4.02Å; I290-Y292 HydrophobicContact CG2-CE2 3.28Å; I290-Y292 HydrophobicContact CG2-CG 4.14Å; I290-Y292 VanDerWaalsContact CG2-CZ 3.49Å; I290-Y292 PolarHBondContact O-N 3.42Å | ||
| 291 | P | 84.1 | Confident | 82.4 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | trans | -79.1 | 46.3 | -170.1 | 32.7 | -36.6 | 0 | 0 | 0 | 114 | N277 V278 R293 N294 | N277-P291 HydrophobicContact CB-CG 4.4Å; V278-P291 HydrophobicContact CG2-CG 3.93Å; P291-R293 PolarHBondContact O-N 3.29Å; P291-R293 VanDerWaalsContact O-N 3.16Å; P291-N294 PolarHBondContact O-N 3.22Å | ||
| 292 | Y | 85.4 | Confident | 82.6 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -56.9 | -32.7 | 178.2 | -65.2 | -72.9 | 0 | 0 | 0 | 112.6 | V278 I290 N294 T298 R299 Q302 L305 | V278-Y292 HydrophobicContact CG1-CD1 3.85Å; V278-Y292 HydrophobicContact CG1-CE1 3.5Å; V278-Y292 VanDerWaalsContact CG1-CE1 3.5Å; V278-Y292 HydrophobicContact CG2-CD1 4.32Å; I290-Y292 HydrophobicContact CB-CD2 3.83Å; I290-Y292 HydrophobicContact CB-CE2 3.5Å; I290-Y292 VanDerWaalsContact CB-CE2 3.5Å; I290-Y292 HydrophobicContact CD1-CE2 3.87Å; I290-Y292 HydrophobicContact CG1-CE2 4.31Å; I290-Y292 HydrophobicContact CG2-CD1 4.32Å; I290-Y292 HydrophobicContact CG2-CD2 3.64Å; I290-Y292 HydrophobicContact CG2-CE1 4.02Å; I290-Y292 HydrophobicContact CG2-CE2 3.28Å; I290-Y292 HydrophobicContact CG2-CG 4.14Å; I290-Y292 VanDerWaalsContact CG2-CZ 3.49Å; I290-Y292 PolarHBondContact O-N 3.42Å; Y292-N294 VanDerWaalsContact C-N 3.27Å; Y292-N294 PolarHBondContact O-N 2.85Å; Y292-T298 CarbonylContact O-C 3.52Å; Y292-T298 WeakPolarHBondContact O-CB 3.46Å; Y292-T298 PolarHBondContact O-OG1 2.94Å; Y292-R299 WeakPolarHBondContact O-CG 3.34Å; Y292-R299 PolarHBondContact O-N 3.31Å; Y292-Q302 HydrophobicContact CD1-CB 3.93Å; Y292-Q302 HydrophobicContact CD1-CG 3.89Å; Y292-Q302 HydrophobicContact CD2-CG 3.9Å; Y292-Q302 HydrophobicContact CE1-CB 4.32Å; Y292-Q302 HydrophobicContact CE1-CG 4.13Å; Y292-Q302 HydrophobicContact CE2-CG 4.12Å; Y292-Q302 HydrophobicContact CG-CB 4.16Å; Y292-Q302 HydrophobicContact CG-CG 3.77Å; Y292-L305 HydrophobicContact CE1-CB 4.49Å; Y292-L305 WeakPolarHBondContact CE1-O 3.32Å; Y292-L305 PolarHBondContact OH-O 3.14Å |
| 293 | R | 84.7 | Confident | 82.5 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -73.2 | -14.6 | -174.7 | -69.6 | -175 | 173.5 | -174.1 | -3.9 | 114.8 | E168 P291 S295 | E168-R293 IonicContact OE2-NH2 2.84Å; P291-R293 PolarHBondContact O-N 3.29Å; P291-R293 VanDerWaalsContact O-N 3.16Å; R293-S295 PolarHBondContact O-N 2.64Å |
| 294 | N | 82.8 | Confident | 82.6 | Confident | 94 Ų | 94 | 59 Ų | 59 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -72.9 | -14.7 | -174 | -69.9 | 12.2 | 0 | 0 | 0 | 113.5 | T274 P291 Y292 | T274-N294 HydrophobicContact CG2-CB 3.52Å; P291-N294 PolarHBondContact O-N 3.22Å; Y292-N294 VanDerWaalsContact C-N 3.27Å; Y292-N294 PolarHBondContact O-N 2.85Å |
| 295 | S | 86.6 | Confident | 83 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -141.7 | 147.4 | 171.6 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | E150 S271 R293 L297 T298 R299 | E150-S295 WeakPolarHBondContact OE1-CB 3.36Å; E150-S295 PolarHBondContact OE1-OG 2.91Å; E150-S295 WeakPolarHBondContact OE2-CA 3.34Å; E150-S295 PolarHBondContact OE2-OG 3.21Å; S271-S295 WeakPolarHBondContact CA-OG 3.47Å; R293-S295 PolarHBondContact O-N 2.64Å; S295-L297 PolarHBondContact O-N 2.76Å; S295-L297 PolarHBondContact OG-N 2.88Å; S295-L297 VanDerWaalsContact OG-N 3.13Å; S295-T298 WeakPolarHBondContact CB-OG1 3.47Å; S295-T298 PolarHBondContact N-OG1 2.83Å; S295-T298 PolarHBondContact O-N 2.81Å; S295-T298 PolarHBondContact O-OG1 2.74Å; S295-R299 WeakPolarHBondContact O-CG 3.34Å; S295-R299 PolarHBondContact O-N 2.98Å | ||
| 296 | K | 88.2 | Confident | 83.5 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 19% | 0.191 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -33.3 | 172.5 | -57.3 | -55.5 | -173.7 | -176.8 | 0 | 111.8 | E150 V152 V166 R299 L300 | E150-K296 WeakPolarHBondContact O-CG 3.36Å; E150-K296 PolarHBondContact OE2-N 2.99Å; V152-K296 HydrophobicContact CG2-CB 4.19Å; V152-K296 HydrophobicContact CG2-CG 4.49Å; V166-K296 HydrophobicContact CB-CD 4.26Å; V166-K296 HydrophobicContact CG2-CB 4.18Å; V166-K296 HydrophobicContact CG2-CD 3.97Å; V166-K296 HydrophobicContact CG2-CG 4.41Å; K296-R299 PolarHBondContact O-N 2.83Å; K296-L300 WeakPolarHBondContact O-CG 3.4Å; K296-L300 PolarHBondContact O-N 2.81Å |
| 297 | L | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -50 | 176.7 | 177.2 | 66.9 | 0 | 0 | 0 | 111.2 | I147 H216 I218 L246 L272 S295 R299 L300 L301 | I147-L297 HydrophobicContact CD1-CB 4.03Å; I147-L297 HydrophobicContact CD1-CD1 3.97Å; H216-L297 HydrophobicContact CB-CD1 4.21Å; I218-L297 HydrophobicContact CD1-CD1 4.05Å; L246-L297 HydrophobicContact CD2-CD1 3.99Å; L246-L297 HydrophobicContact CD2-CD2 3.85Å; L272-L297 HydrophobicContact CD2-CD2 4.48Å; S295-L297 PolarHBondContact O-N 2.76Å; S295-L297 PolarHBondContact OG-N 2.88Å; S295-L297 VanDerWaalsContact OG-N 3.13Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.19Å; L297-L300 PolarHBondContact O-N 3.17Å; L297-L301 HydrophobicContact CD1-CD1 3.8Å; L297-L301 HydrophobicContact CD1-CG 4.28Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 2.87Å |
| 298 | T | 88.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -29.7 | -180 | 48.3 | 0 | 0 | 0 | 0 | 112.6 | T274 L275 V278 Y292 S295 L301 Q302 | T274-T298 HydrophobicContact CG2-CG2 3.88Å; L275-T298 HydrophobicContact CB-CG2 4.05Å; L275-T298 HydrophobicContact CD1-CG2 3.7Å; V278-T298 HydrophobicContact CG2-CG2 4.1Å; Y292-T298 CarbonylContact O-C 3.52Å; Y292-T298 WeakPolarHBondContact O-CB 3.46Å; Y292-T298 PolarHBondContact O-OG1 2.94Å; S295-T298 WeakPolarHBondContact CB-OG1 3.47Å; S295-T298 PolarHBondContact N-OG1 2.83Å; S295-T298 PolarHBondContact O-N 2.81Å; S295-T298 PolarHBondContact O-OG1 2.74Å; T298-L301 CarbonylContact O-C 3.55Å; T298-Q302 PolarHBondContact O-N 3.45Å |
| 299 | R | 89 | Confident | 86.2 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 9% | 0.094 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 170.1 | -71.3 | 179.3 | 67 | -176.6 | -8.2 | 111.5 | V166 V174 Y292 S295 K296 L297 L301 Q302 | V166-R299 HydrophobicContact CG1-CB 4.23Å; V166-R299 PolarHBondContact O-NH2 3.45Å; V174-R299 HydrophobicContact CG1-CB 4.38Å; V174-R299 WeakPolarHBondContact CG1-O 3.35Å; V174-R299 WeakPolarHBondContact CG2-O 3.38Å; Y292-R299 WeakPolarHBondContact O-CG 3.34Å; Y292-R299 PolarHBondContact O-N 3.31Å; S295-R299 WeakPolarHBondContact O-CG 3.34Å; S295-R299 PolarHBondContact O-N 2.98Å; K296-R299 PolarHBondContact O-N 2.83Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.19Å; R299-L301 VanDerWaalsContact C-N 3.3Å; R299-L301 PolarHBondContact O-N 3.26Å; R299-Q302 VanDerWaalsContact O-CB 3.23Å; R299-Q302 WeakPolarHBondContact O-CB 3.33Å; R299-Q302 PolarHBondContact O-N 2.84Å |
| 300 | L | 89.5 | Confident | 86.9 | Confident | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.157 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.6 | -30.9 | 179.7 | -72.2 | 167.8 | 0 | 0 | 0 | 112.7 | L145 I147 V166 V174 V176 I218 K296 L297 | L145-L300 HydrophobicContact CD1-CD1 4.42Å; I147-L300 HydrophobicContact CD1-CD1 3.64Å; I147-L300 HydrophobicContact CG1-CD1 4.46Å; V166-L300 HydrophobicContact CG1-CD2 4.11Å; V166-L300 HydrophobicContact CG1-CG 4.32Å; V166-L300 HydrophobicContact CG2-CD1 4.33Å; V166-L300 HydrophobicContact CG2-CD2 4.47Å; V166-L300 HydrophobicContact CG2-CG 4.35Å; V174-L300 HydrophobicContact CG1-CD2 4.17Å; V176-L300 HydrophobicContact CG2-CD1 4.25Å; V176-L300 HydrophobicContact CG2-CD2 3.55Å; I218-L300 HydrophobicContact CD1-CB 4.48Å; I218-L300 HydrophobicContact CD1-CD1 4.35Å; K296-L300 WeakPolarHBondContact O-CG 3.4Å; K296-L300 PolarHBondContact O-N 2.81Å; L297-L300 PolarHBondContact O-N 3.17Å |
| 301 | L | 89.3 | Confident | 87.4 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 12 | 176.6 | -60.9 | -179.6 | 0 | 0 | 0 | 113.6 | T90 V244 L275 L297 T298 R299 D303 S304 L305 | T90-L301 HydrophobicContact CG2-CD2 4.32Å; V244-L301 HydrophobicContact CG2-CD2 4.09Å; L275-L301 HydrophobicContact CD1-CD1 4.38Å; L297-L301 HydrophobicContact CD1-CD1 3.8Å; L297-L301 HydrophobicContact CD1-CG 4.28Å; L297-L301 HydrophobicContact CG-CD1 4.12Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 2.87Å; T298-L301 CarbonylContact O-C 3.55Å; R299-L301 VanDerWaalsContact C-N 3.3Å; R299-L301 PolarHBondContact O-N 3.26Å; L301-D303 VanDerWaalsContact C-N 3.32Å; L301-D303 PolarHBondContact O-N 2.76Å; L301-S304 CarbonylContact O-C 3.54Å; L301-S304 WeakPolarHBondContact O-CA 3.44Å; L301-S304 WeakPolarHBondContact O-CB 3.32Å; L301-S304 PolarHBondContact O-N 3.45Å; L301-L305 HydrophobicContact CB-CD1 4.25Å; L301-L305 PolarHBondContact O-N 3.18Å |
| 302 | Q | 87.2 | Confident | 87.9 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 20% | 0.196 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -44.5 | -179.4 | 178.9 | 176.6 | -31.1 | 0 | 0 | 111.3 | Y292 T298 R299 S304 L305 | Y292-Q302 HydrophobicContact CD1-CB 3.93Å; Y292-Q302 HydrophobicContact CD1-CG 3.89Å; Y292-Q302 HydrophobicContact CD2-CG 3.9Å; Y292-Q302 HydrophobicContact CE1-CB 4.32Å; Y292-Q302 HydrophobicContact CE1-CG 4.13Å; Y292-Q302 HydrophobicContact CE2-CG 4.12Å; Y292-Q302 HydrophobicContact CG-CB 4.16Å; Y292-Q302 HydrophobicContact CG-CG 3.77Å; T298-Q302 PolarHBondContact O-N 3.45Å; R299-Q302 VanDerWaalsContact O-CB 3.23Å; R299-Q302 WeakPolarHBondContact O-CB 3.33Å; R299-Q302 PolarHBondContact O-N 2.84Å; Q302-S304 VanDerWaalsContact C-N 3.26Å; Q302-S304 PolarHBondContact O-N 3.49Å; Q302-L305 PolarHBondContact O-N 3.46Å |
| 303 | D | 84.2 | Confident | 88.4 | Confident | 56 Ų | 56 | 25.6 Ų | 25.6 | 30% | 0.299 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -29.9 | 175.3 | -76.8 | -10.3 | 0 | 0 | 0 | 112.2 | L301 G307 N308 S309 | L301-D303 VanDerWaalsContact C-N 3.32Å; L301-D303 PolarHBondContact O-N 2.76Å; D303-G307 CarbonylContact O-C 3.59Å; D303-G307 VanDerWaalsContact O-CA 3.22Å; D303-G307 WeakPolarHBondContact O-CA 3.33Å; D303-G307 PolarHBondContact O-N 3.08Å; D303-N308 CarbonylContact O-C 3.58Å; D303-N308 PolarHBondContact O-N 2.81Å; D303-S309 VanDerWaalsContact O-CB 3.27Å; D303-S309 WeakPolarHBondContact O-CB 3.38Å; D303-S309 PolarHBondContact O-N 3.43Å |
| 304 | S | 85.9 | Confident | 89 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -28.9 | -179.9 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | T90 L301 Q302 T311 N342 | T90-S304 WeakPolarHBondContact OG1-CB 3.41Å; T90-S304 PolarHBondContact OG1-OG 3.27Å; L301-S304 CarbonylContact O-C 3.54Å; L301-S304 WeakPolarHBondContact O-CA 3.44Å; L301-S304 WeakPolarHBondContact O-CB 3.32Å; L301-S304 PolarHBondContact O-N 3.45Å; Q302-S304 VanDerWaalsContact C-N 3.26Å; Q302-S304 PolarHBondContact O-N 3.49Å; S304-T311 WeakPolarHBondContact O-CB 3.21Å; S304-T311 WeakPolarHBondContact O-CG2 3.44Å; S304-T311 PolarHBondContact O-OG1 2.84Å; S304-N342 PolarHBondContact O-ND2 3.49Å |
| 305 | L | 85.7 | Confident | 89.6 | Confident | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -122.2 | 84.1 | -172 | -62.8 | 173.9 | 0 | 0 | 0 | 110.1 | F92 L275 L282 Y292 L301 Q302 I340 | F92-L305 HydrophobicContact CE1-CD2 4.09Å; F92-L305 HydrophobicContact CZ-CD2 4.17Å; L275-L305 HydrophobicContact CD1-CD1 3.37Å; L275-L305 HydrophobicContact CG-CD1 4.37Å; L282-L305 HydrophobicContact CD1-CB 4.22Å; L282-L305 WeakPolarHBondContact CD1-O 3.44Å; Y292-L305 HydrophobicContact CE1-CB 4.49Å; Y292-L305 WeakPolarHBondContact CE1-O 3.32Å; Y292-L305 PolarHBondContact OH-O 3.14Å; L301-L305 HydrophobicContact CB-CD1 4.25Å; L301-L305 PolarHBondContact O-N 3.18Å; Q302-L305 PolarHBondContact O-N 3.46Å; L305-I340 HydrophobicContact CD2-CD1 4.26Å |
| 306 | G | 81.9 | Confident | 90.1 | Very high | 28 Ų | 28 | 13.9 Ų | 13.9 | 29% | 0.289 | 8% | 0.079 | S | C | . | . | S | Bend | trans | 100.3 | -4.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | N342 | G306-N342 VanDerWaalsContact CA-OD1 3.31Å; G306-N342 WeakPolarHBondContact CA-OD1 3.31Å; G306-N342 PolarHBondContact N-OD1 3.05Å |
| 307 | G | 86.4 | Confident | 90.4 | Very high | 18 Ų | 18 | 11.8 Ų | 11.8 | 19% | 0.186 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -106.8 | -151.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | D303 S309 K343 | D303-G307 CarbonylContact O-C 3.59Å; D303-G307 VanDerWaalsContact O-CA 3.22Å; D303-G307 WeakPolarHBondContact O-CA 3.33Å; D303-G307 PolarHBondContact O-N 3.08Å; G307-S309 PolarHBondContact O-N 2.87Å; G307-K343 PolarHBondContact O-N 3.03Å |
| 308 | N | 88.8 | Confident | 90.5 | Very high | 21 Ų | 21 | 11.8 Ų | 11.8 | 11% | 0.112 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -85.1 | 77.4 | 178.9 | 178.5 | 23.6 | 0 | 0 | 0 | 111.3 | N88 D303 A344 K345 N347 | N88-N308 VanDerWaalsContact CB-O 3.25Å; N88-N308 WeakPolarHBondContact CB-O 3.46Å; N88-N308 PolarHBondContact ND2-ND2 3.4Å; N88-N308 PolarHBondContact ND2-O 2.7Å; D303-N308 CarbonylContact O-C 3.58Å; D303-N308 PolarHBondContact O-N 2.81Å; N308-A344 WeakPolarHBondContact OD1-CA 3.41Å; N308-K345 HydrophobicContact CB-CG 4.39Å; N308-K345 VanDerWaalsContact CG-CG 3.45Å; N308-K345 WeakPolarHBondContact ND2-CE 3.33Å; N308-K345 WeakPolarHBondContact ND2-CG 3.49Å; N308-K345 WeakPolarHBondContact OD1-CG 3.45Å; N308-K345 PolarHBondContact OD1-N 3.33Å; N308-K345 PolarHBondContact OD1-O 2.96Å; N308-N347 PolarHBondContact ND2-OD1 3.35Å |
| 309 | S | 90.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.007 | 7% | 0.07 | C | C | . | . | trans | -160.3 | 138.8 | 174 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | N88 T90 D303 G307 T311 N342 | N88-S309 CarbonylContact O-C 3.54Å; N88-S309 WeakPolarHBondContact O-CA 3.33Å; T90-S309 PolarHBondContact N-OG 3.24Å; T90-S309 PolarHBondContact OG1-OG 3Å; D303-S309 VanDerWaalsContact O-CB 3.27Å; D303-S309 WeakPolarHBondContact O-CB 3.38Å; D303-S309 PolarHBondContact O-N 3.43Å; G307-S309 PolarHBondContact O-N 2.87Å; S309-T311 PolarHBondContact O-N 3.05Å; S309-T311 PolarHBondContact OG-OG1 3.26Å; S309-T311 VanDerWaalsContact OG-OG1 3.05Å; S309-N342 VanDerWaalsContact O-CB 3.31Å; S309-N342 WeakPolarHBondContact O-CB 3.5Å; S309-N342 PolarHBondContact O-ND2 2.9Å | ||
| 310 | K | 92.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 10.6 Ų | 10.6 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 114.1 | 163.2 | -61.5 | -71.2 | -168.7 | -176.5 | 0 | 107.5 | D8 I79 N88 G89 T90 A344 | D8-K310 HydrophobicContact CB-CD 4.16Å; D8-K310 IonicContact OD1-NZ 2.64Å; D8-K310 PolarHBondContact OD1-NZ 2.95Å; D8-K310 WeakPolarHBondContact OD2-CD 3.47Å; D8-K310 VanDerWaalsContact OD2-CE 3.24Å; D8-K310 WeakPolarHBondContact OD2-CE 3.37Å; D8-K310 IonicContact OD2-NZ 2.85Å; D8-K310 PolarHBondContact OD2-NZ 3.26Å; I79-K310 HydrophobicContact CD1-CB 3.88Å; N88-K310 PolarHBondContact O-N 2.73Å; G89-K310 CarbonylContact C-O 3.54Å; G89-K310 VanDerWaalsContact CA-O 3.26Å; G89-K310 WeakPolarHBondContact CA-O 3.26Å; T90-K310 PolarHBondContact N-O 3.07Å; K310-A344 HydrophobicContact CD-CB 3.52Å; K310-A344 HydrophobicContact CG-CB 3.71Å |
| 311 | T | 94.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.8 | -168.9 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V10 K11 T90 F92 S304 S309 N342 | V10-T311 HydrophobicContact CG1-CG2 4.17Å; V10-T311 HydrophobicContact CG2-CG2 4.39Å; K11-T311 PolarHBondContact N-O 2.97Å; T90-T311 HydrophobicContact CG2-CG2 4.42Å; T90-T311 CarbonylContact O-C 3.46Å; T90-T311 WeakPolarHBondContact O-CA 3.36Å; F92-T311 HydrophobicContact CD1-CG2 4.06Å; F92-T311 HydrophobicContact CE1-CG2 3.52Å; S304-T311 WeakPolarHBondContact O-CB 3.21Å; S304-T311 WeakPolarHBondContact O-CG2 3.44Å; S304-T311 PolarHBondContact O-OG1 2.84Å; S309-T311 PolarHBondContact O-N 3.05Å; S309-T311 PolarHBondContact OG-OG1 3.26Å; S309-T311 VanDerWaalsContact OG-OG1 3.05Å; T311-N342 WeakPolarHBondContact CB-ND2 3.39Å; T311-N342 PolarHBondContact OG1-ND2 3.48Å; T311-N342 VanDerWaalsContact OG1-ND2 3.17Å |
| 312 | A | 94.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K11 V75 I79 T90 I91 F92 | K11-A312 HydrophobicContact CB-CB 4.49Å; K11-A312 CarbonylContact O-C 3.55Å; K11-A312 VanDerWaalsContact O-CA 3.3Å; K11-A312 WeakPolarHBondContact O-CA 3.33Å; V75-A312 HydrophobicContact CG1-CB 3.79Å; I79-A312 HydrophobicContact CD1-CB 4.46Å; I79-A312 HydrophobicContact CG1-CB 4.15Å; T90-A312 PolarHBondContact O-N 2.81Å; I91-A312 WeakPolarHBondContact CA-O 3.25Å; F92-A312 PolarHBondContact N-O 3.46Å; F92-A312 VanDerWaalsContact N-O 3.07Å |
| 313 | M | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132.1 | 172.8 | 175.8 | -179.5 | 174.7 | 0 | 0 | 109.3 | V10 K11 V12 A13 F92 Y94 A315 Y333 A334 A337 | V10-M313 HydrophobicContact CG1-CB 4.41Å; K11-M313 PolarHBondContact O-N 3.44Å; V12-M313 WeakPolarHBondContact CA-O 2.96Å; V12-M313 HydrophobicContact CG2-CB 4.37Å; A13-M313 PolarHBondContact N-O 3.12Å; F92-M313 HydrophobicContact CD2-CB 4.36Å; F92-M313 HydrophobicContact CD2-CG 4.08Å; F92-M313 HydrophobicContact CE1-CB 4.24Å; F92-M313 HydrophobicContact CE2-CB 3.7Å; F92-M313 HydrophobicContact CE2-CG 3.43Å; F92-M313 VanDerWaalsContact CE2-CG 3.43Å; F92-M313 HydrophobicContact CE2-SD 3.89Å; F92-M313 HydrophobicContact CZ-CB 3.64Å; F92-M313 HydrophobicContact CZ-CG 3.88Å; F92-M313 HydrophobicContact CZ-SD 4.24Å; Y94-M313 HydrophobicContact CD1-CE 3.43Å; Y94-M313 VanDerWaalsContact CD1-CE 3.43Å; Y94-M313 HydrophobicContact CE1-CE 4.31Å; Y94-M313 HydrophobicContact CG-CE 3.68Å; M313-A315 HydrophobicContact CE-CB 4.06Å; M313-Y333 HydrophobicContact CE-CD1 3.58Å; M313-Y333 HydrophobicContact CE-CE1 3.94Å; M313-Y333 HydrophobicContact SD-CD1 4.26Å; M313-Y333 HydrophobicContact SD-CE1 4.31Å; M313-A334 HydrophobicContact CE-CB 4.02Å; M313-A334 HydrophobicContact SD-CB 4.44Å; M313-A337 HydrophobicContact SD-CB 3.66Å |
| 314 | I | 97.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 110 | 169.9 | -54.4 | 171 | 0 | 0 | 0 | 108.8 | A13 R15 I71 V75 I91 F92 A93 Y94 T104 I117 | A13-I314 HydrophobicContact CB-CG1 4.4Å; A13-I314 CarbonylContact O-C 3.55Å; A13-I314 WeakPolarHBondContact O-CA 3.3Å; R15-I314 HydrophobicContact CB-CG2 4.31Å; I71-I314 HydrophobicContact CG2-CD1 4.22Å; V75-I314 HydrophobicContact CG1-CD1 4.04Å; V75-I314 HydrophobicContact CG1-CG1 3.99Å; I91-I314 HydrophobicContact CG2-CD1 4.17Å; F92-I314 PolarHBondContact O-N 3.14Å; A93-I314 CarbonylContact C-O 3.48Å; A93-I314 WeakPolarHBondContact CA-O 3.27Å; Y94-I314 PolarHBondContact N-O 3.4Å; T104-I314 HydrophobicContact CG2-CD1 3.93Å; T104-I314 HydrophobicContact CG2-CG2 4.04Å; I117-I314 HydrophobicContact CD1-CD1 3.13Å |
| 315 | A | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 110.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | A13 V14 R15 Y94 M313 T330 A334 | A13-A315 PolarHBondContact O-N 2.89Å; V14-A315 CarbonylContact C-O 3.54Å; V14-A315 WeakPolarHBondContact CA-O 3.39Å; V14-A315 HydrophobicContact CG2-CB 4.22Å; R15-A315 PolarHBondContact N-O 3.35Å; Y94-A315 CarbonylContact O-C 3.54Å; Y94-A315 WeakPolarHBondContact O-CA 3.29Å; M313-A315 HydrophobicContact CE-CB 4.06Å; A315-T330 HydrophobicContact CB-CG2 4.04Å; A315-A334 HydrophobicContact CB-CB 3.8Å |
| 316 | N | 96 | Very high | 91 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.5 | 179.3 | -69.9 | 100.5 | 0 | 0 | 0 | 111 | R15 Y94 T99 K101 T104 | R15-N316 WeakPolarHBondContact O-CA 3.22Å; Y94-N316 PolarHBondContact O-N 3.43Å; T99-N316 VanDerWaalsContact CB-O 3.29Å; T99-N316 WeakPolarHBondContact CB-O 3.31Å; T99-N316 VanDerWaalsContact OG1-CB 3.26Å; T99-N316 WeakPolarHBondContact OG1-CB 3.5Å; T99-N316 PolarHBondContact OG1-O 3.35Å; K101-N316 HydrophobicContact CG-CB 4.14Å; T104-N316 PolarHBondContact OG1-ND2 3.29Å |
| 317 | I | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 160.1 | -178.1 | 65.9 | -175.7 | 0 | 0 | 0 | 112.1 | V14 R15 C16 R17 I32 V41 T330 L331 | V14-I317 HydrophobicContact CG1-CD1 3.57Å; V14-I317 HydrophobicContact CG1-CG1 4.16Å; R15-I317 PolarHBondContact O-N 3.39Å; C16-I317 HydrophobicContact CB-CD1 4.34Å; C16-I317 HydrophobicContact CB-CG1 4.01Å; R17-I317 PolarHBondContact N-O 2.83Å; I32-I317 HydrophobicContact CD1-CB 4.26Å; I32-I317 HydrophobicContact CD1-CD1 3.61Å; I32-I317 HydrophobicContact CD1-CG1 3.85Å; I32-I317 HydrophobicContact CG2-CD1 4.32Å; V41-I317 HydrophobicContact CG1-CD1 4.01Å; I317-T330 HydrophobicContact CG2-CG2 3.73Å; I317-L331 HydrophobicContact CD1-CD1 4.28Å; I317-L331 HydrophobicContact CD1-CD2 4.1Å; I317-L331 HydrophobicContact CD1-CG 4.49Å; I317-L331 HydrophobicContact CG2-CD2 4.26Å; I317-L331 HydrophobicContact CG2-CG 4.22Å |
| 318 | S | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -108.7 | 133.6 | 179.6 | 158.9 | 0 | 0 | 0 | 0 | 110.6 | R17 I32 A320 N323 S327 | R17-S318 PolarHBondContact NH2-OG 2.98Å; I32-S318 WeakPolarHBondContact CD1-O 2.96Å; S318-A320 VanDerWaalsContact C-N 3.27Å; S318-A320 PolarHBondContact O-N 3.22Å; S318-A320 PolarHBondContact OG-N 3.37Å; S318-N323 WeakPolarHBondContact CB-ND2 3.35Å; S318-N323 PolarHBondContact OG-ND2 2.9Å; S318-S327 PolarHBondContact N-OG 3.06Å; S318-S327 PolarHBondContact O-OG 2.96Å | ||
| 319 | P | 91.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -70.5 | -18.6 | 176.7 | 27.6 | -34 | 0 | 0 | 0 | 114.2 | R17 M19 S30 V31 | R17-P319 WeakPolarHBondContact O-CD 3.06Å; R17-P319 WeakPolarHBondContact O-CG 3.24Å; M19-P319 HydrophobicContact CG-CB 4.4Å; M19-P319 HydrophobicContact CG-CG 3.82Å; M19-P319 HydrophobicContact SD-CB 4.02Å; M19-P319 HydrophobicContact SD-CG 3.58Å; M19-P319 VanDerWaalsContact SD-CG 3.58Å; S30-P319 CarbonylContact C-O 3.53Å; S30-P319 VanDerWaalsContact CA-O 3.3Å; S30-P319 WeakPolarHBondContact CA-O 3.27Å; V31-P319 WeakPolarHBondContact CG2-O 3.03Å; V31-P319 PolarHBondContact N-O 3.37Å | ||
| 320 | A | 91 | Very high | 91.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -67.7 | 139.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | M19 E23 C28 S318 Y322 N323 | M19-A320 HydrophobicContact CE-CB 4.27Å; M19-A320 HydrophobicContact SD-CB 3.94Å; E23-A320 HydrophobicContact CG-CB 4.42Å; E23-A320 WeakPolarHBondContact OE1-CB 3.43Å; C28-A320 HydrophobicContact CB-CB 4.23Å; S318-A320 VanDerWaalsContact C-N 3.27Å; S318-A320 PolarHBondContact O-N 3.22Å; S318-A320 PolarHBondContact OG-N 3.37Å; A320-Y322 HydrophobicContact CB-CD1 3.69Å; A320-Y322 HydrophobicContact CB-CE1 3.35Å; A320-Y322 PolarHBondContact O-N 3.46Å; A320-N323 WeakPolarHBondContact O-CB 3.44Å; A320-N323 PolarHBondContact O-N 2.74Å |
| 321 | D | 88.7 | Confident | 91.7 | Very high | 43 Ų | 43 | 16.9 Ų | 16.9 | 23% | 0.23 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -55.7 | -41.5 | 179.7 | 54.9 | -1.3 | 0 | 0 | 0 | 115.3 | K29 V31 T46 N323 F324 | K29-D321 PolarHBondContact N-OD2 3.04Å; K29-D321 PolarHBondContact O-N 3.13Å; V31-D321 HydrophobicContact CG1-CB 3.6Å; T46-D321 HydrophobicContact CG2-CB 4.34Å; D321-N323 PolarHBondContact O-N 2.71Å; D321-N323 VanDerWaalsContact O-N 3.17Å; D321-F324 WeakPolarHBondContact O-CB 3.39Å; D321-F324 PolarHBondContact O-N 2.9Å |
| 322 | Y | 86 | Confident | 91.5 | Very high | 134 Ų | 134 | 18 Ų | 18 | 53% | 0.525 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | -66.1 | -16.3 | 177.7 | 75.5 | -87.1 | 0 | 0 | 0 | 113.4 | E23 A320 | E23-Y322 HydrophobicContact CG-CE1 4.06Å; E23-Y322 PolarHBondContact OE1-OH 2.93Å; A320-Y322 HydrophobicContact CB-CD1 3.69Å; A320-Y322 HydrophobicContact CB-CE1 3.35Å; A320-Y322 PolarHBondContact O-N 3.46Å |
| 323 | N | 87.5 | Confident | 91.3 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -97.5 | 9.9 | 175.4 | -72.7 | -32.7 | 0 | 0 | 0 | 112.8 | Q96 S318 A320 D321 D325 E326 S327 | Q96-N323 VanDerWaalsContact NE2-CG 3.3Å; Q96-N323 PolarHBondContact NE2-OD1 3.45Å; S318-N323 WeakPolarHBondContact CB-ND2 3.35Å; S318-N323 PolarHBondContact OG-ND2 2.9Å; A320-N323 WeakPolarHBondContact O-CB 3.44Å; A320-N323 PolarHBondContact O-N 2.74Å; D321-N323 PolarHBondContact O-N 2.71Å; D321-N323 VanDerWaalsContact O-N 3.17Å; N323-D325 PolarHBondContact O-N 3.14Å; N323-E326 PolarHBondContact O-N 3.35Å; N323-S327 WeakPolarHBondContact O-CB 3.16Å; N323-S327 PolarHBondContact O-N 2.65Å; N323-S327 PolarHBondContact O-OG 2.88Å; N323-S327 VanDerWaalsContact O-OG 3.08Å |
| 324 | F | 89.2 | Confident | 91.1 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 6% | 0.057 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.3 | -50.5 | -176.3 | 176 | -87 | 0 | 0 | 0 | 112.6 | V31 L43 R45 D321 E326 S327 L328 | V31-F324 HydrophobicContact CB-CD2 4.13Å; V31-F324 HydrophobicContact CG1-CD2 4.47Å; V31-F324 HydrophobicContact CG2-CB 4.35Å; V31-F324 HydrophobicContact CG2-CD2 4.05Å; L43-F324 HydrophobicContact CB-CE2 4Å; L43-F324 HydrophobicContact CD2-CE2 4.41Å; R45-F324 HydrophobicContact CB-CE2 4.03Å; R45-F324 HydrophobicContact CB-CZ 4.01Å; D321-F324 WeakPolarHBondContact O-CB 3.39Å; D321-F324 PolarHBondContact O-N 2.9Å; F324-E326 PolarHBondContact O-N 3.16Å; F324-S327 PolarHBondContact O-N 3.02Å; F324-L328 HydrophobicContact CE1-CD2 4.03Å; F324-L328 HydrophobicContact CZ-CD2 4.45Å; F324-L328 VanDerWaalsContact O-CB 3.32Å; F324-L328 WeakPolarHBondContact O-CB 3.41Å; F324-L328 PolarHBondContact O-N 2.83Å |
| 325 | D | 86.7 | Confident | 90.8 | Very high | 77 Ų | 77 | 21.3 Ų | 21.3 | 41% | 0.412 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65.6 | -38.6 | -175.3 | -68.5 | -39 | 0 | 0 | 0 | 112.2 | N323 S329 | N323-D325 PolarHBondContact O-N 3.14Å; D325-S329 WeakPolarHBondContact O-CB 3.02Å; D325-S329 PolarHBondContact O-N 3.25Å; D325-S329 PolarHBondContact O-OG 3.41Å |
| 326 | E | 87.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 19% | 0.187 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.6 | -40 | 178.3 | -67.2 | -60.2 | 162.2 | 0 | 0 | 111.9 | Q96 E250 R251 N323 F324 S329 T330 | Q96-E326 HydrophobicContact CB-CB 4.31Å; Q96-E326 HydrophobicContact CG-CB 4.43Å; E250-E326 WeakPolarHBondContact CA-OE2 3.37Å; R251-E326 PolarHBondContact N-OE1 3.43Å; N323-E326 PolarHBondContact O-N 3.35Å; F324-E326 PolarHBondContact O-N 3.16Å; E326-S329 PolarHBondContact O-N 2.84Å; E326-T330 WeakPolarHBondContact O-CB 3.36Å; E326-T330 PolarHBondContact O-N 3.19Å; E326-T330 PolarHBondContact O-OG1 3.01Å |
| 327 | S | 91.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.8 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | S318 N323 F324 T330 L331 | S318-S327 PolarHBondContact N-OG 3.06Å; S318-S327 PolarHBondContact O-OG 2.96Å; N323-S327 WeakPolarHBondContact O-CB 3.16Å; N323-S327 PolarHBondContact O-N 2.65Å; N323-S327 PolarHBondContact O-OG 2.88Å; N323-S327 VanDerWaalsContact O-OG 3.08Å; F324-S327 PolarHBondContact O-N 3.02Å; S327-T330 PolarHBondContact O-N 2.72Å; S327-L331 WeakPolarHBondContact O-CD1 3.18Å; S327-L331 WeakPolarHBondContact O-CG 3.44Å; S327-L331 PolarHBondContact O-N 2.85Å |
| 328 | L | 91 | Very high | 89.9 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -45.6 | 174 | 179 | 61.3 | 0 | 0 | 0 | 111.6 | L43 K54 F56 F324 T330 L331 R332 | L43-L328 HydrophobicContact CD2-CB 4.13Å; K54-L328 HydrophobicContact CD-CD1 3.73Å; K54-L328 HydrophobicContact CD-CD2 4.18Å; F56-L328 HydrophobicContact CE2-CD1 3.75Å; F56-L328 HydrophobicContact CZ-CD1 3.76Å; F324-L328 HydrophobicContact CE1-CD2 4.03Å; F324-L328 HydrophobicContact CZ-CD2 4.45Å; F324-L328 VanDerWaalsContact O-CB 3.32Å; F324-L328 WeakPolarHBondContact O-CB 3.41Å; F324-L328 PolarHBondContact O-N 2.83Å; L328-T330 VanDerWaalsContact C-N 3.32Å; L328-T330 PolarHBondContact O-N 3.02Å; L328-L331 PolarHBondContact O-N 2.82Å; L328-R332 HydrophobicContact CD1-CG 4.48Å; L328-R332 WeakPolarHBondContact O-CG 3.42Å; L328-R332 PolarHBondContact O-N 2.76Å |
| 329 | S | 88.1 | Confident | 89.7 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 17% | 0.168 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61 | -43 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | D325 E326 L331 R332 Y333 | D325-S329 WeakPolarHBondContact O-CB 3.02Å; D325-S329 PolarHBondContact O-N 3.25Å; D325-S329 PolarHBondContact O-OG 3.41Å; E326-S329 PolarHBondContact O-N 2.84Å; S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 3.03Å; S329-R332 PolarHBondContact O-N 3.46Å; S329-Y333 WeakPolarHBondContact O-CB 3.49Å; S329-Y333 PolarHBondContact O-N 3.03Å |
| 330 | T | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -42.1 | 176.3 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | Y94 A315 I317 E326 S327 L328 Y333 A334 | Y94-T330 HydrophobicContact CD1-CG2 4Å; Y94-T330 HydrophobicContact CE1-CG2 4.14Å; A315-T330 HydrophobicContact CB-CG2 4.04Å; I317-T330 HydrophobicContact CG2-CG2 3.73Å; E326-T330 WeakPolarHBondContact O-CB 3.36Å; E326-T330 PolarHBondContact O-N 3.19Å; E326-T330 PolarHBondContact O-OG1 3.01Å; S327-T330 PolarHBondContact O-N 2.72Å; L328-T330 VanDerWaalsContact C-N 3.32Å; L328-T330 PolarHBondContact O-N 3.02Å; T330-Y333 WeakPolarHBondContact O-CB 3.37Å; T330-Y333 PolarHBondContact O-N 3.48Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 2.99Å |
| 331 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.1 | -39.3 | 179.4 | -68 | 167.6 | 0 | 0 | 0 | 112.9 | V14 V41 L43 F56 F58 I317 S327 L328 S329 Y333 A334 N335 | V14-L331 HydrophobicContact CG1-CD2 3.82Å; V14-L331 HydrophobicContact CG2-CD2 3.91Å; V41-L331 HydrophobicContact CG1-CD1 4.06Å; V41-L331 HydrophobicContact CG1-CD2 4.41Å; L43-L331 HydrophobicContact CD1-CD1 3.08Å; L43-L331 HydrophobicContact CD2-CD1 3.8Å; L43-L331 HydrophobicContact CG-CD1 4.07Å; F56-L331 HydrophobicContact CD2-CB 4.1Å; F56-L331 HydrophobicContact CD2-CD1 4.19Å; F56-L331 HydrophobicContact CE2-CB 4.15Å; F56-L331 HydrophobicContact CE2-CD1 4.44Å; F56-L331 HydrophobicContact CG-CB 4.31Å; F56-L331 HydrophobicContact CZ-CB 4.41Å; F58-L331 HydrophobicContact CE2-CD2 3.61Å; F58-L331 HydrophobicContact CZ-CB 4.22Å; F58-L331 HydrophobicContact CZ-CD2 3.6Å; I317-L331 HydrophobicContact CD1-CD1 4.28Å; I317-L331 HydrophobicContact CD1-CD2 4.1Å; I317-L331 HydrophobicContact CD1-CG 4.49Å; I317-L331 HydrophobicContact CG2-CD2 4.26Å; I317-L331 HydrophobicContact CG2-CG 4.22Å; S327-L331 WeakPolarHBondContact O-CD1 3.18Å; S327-L331 WeakPolarHBondContact O-CG 3.44Å; S327-L331 PolarHBondContact O-N 2.85Å; L328-L331 PolarHBondContact O-N 2.82Å; S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 3.03Å; L331-Y333 VanDerWaalsContact C-N 3.29Å; L331-Y333 PolarHBondContact O-N 3.34Å; L331-A334 PolarHBondContact O-N 2.92Å; L331-N335 VanDerWaalsContact O-CB 3.28Å; L331-N335 WeakPolarHBondContact O-CB 3.37Å; L331-N335 PolarHBondContact O-N 2.78Å |
| 332 | R | 90.5 | Very high | 89.3 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 11% | 0.109 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 171.9 | -75 | 178.5 | 168.7 | 178 | -6.8 | 111.1 | F56 L328 S329 N335 R336 M564 E567 | F56-R332 HydrophobicContact CE1-CG 4.19Å; F56-R332 HydrophobicContact CZ-CG 4.06Å; L328-R332 HydrophobicContact CD1-CG 4.48Å; L328-R332 WeakPolarHBondContact O-CG 3.42Å; L328-R332 PolarHBondContact O-N 2.76Å; S329-R332 PolarHBondContact O-N 3.46Å; R332-N335 PolarHBondContact O-N 3.42Å; R332-R336 PolarHBondContact O-N 3.32Å; R332-R336 VanDerWaalsContact O-N 3.13Å; R332-M564 PolarHBondContact NH1-SD 3.04Å; R332-E567 IonicContact CZ-OE2 3.36Å; R332-E567 IonicContact NH1-OE2 2.71Å; R332-E567 PolarHBondContact NH1-OE2 3.35Å |
| 333 | Y | 89.4 | Confident | 89.4 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -50.5 | 175.5 | -170 | -80.4 | 0 | 0 | 0 | 111.7 | Y94 L275 G276 I279 M313 S329 T330 L331 N335 R336 A337 | Y94-Y333 HydrophobicContact CD1-CD1 4.02Å; Y94-Y333 HydrophobicContact CD1-CE1 4.4Å; Y94-Y333 HydrophobicContact CD2-CE1 4.36Å; Y94-Y333 AromaticContact CE1-CD1 3.69Å; Y94-Y333 HydrophobicContact CE1-CD1 3.69Å; Y94-Y333 HydrophobicContact CE1-CD2 4.34Å; Y94-Y333 HydrophobicContact CE1-CE1 4.22Å; Y94-Y333 AromaticContact CE1-CG 3.75Å; Y94-Y333 HydrophobicContact CE1-CG 3.75Å; Y94-Y333 HydrophobicContact CE2-CD1 4.43Å; Y94-Y333 HydrophobicContact CE2-CE1 4.16Å; Y94-Y333 HydrophobicContact CE2-CE2 4.41Å; Y94-Y333 HydrophobicContact CG-CE1 4.47Å; Y94-Y333 AromaticContact CZ-CD1 3.91Å; Y94-Y333 AromaticContact CZ-CD2 3.96Å; Y94-Y333 AromaticContact CZ-CG 3.83Å; L275-Y333 VanDerWaalsContact CD2-OH 3.24Å; L275-Y333 WeakPolarHBondContact CD2-OH 3.44Å; L275-Y333 WeakPolarHBondContact CG-OH 3.34Å; G276-Y333 VanDerWaalsContact CA-CE2 3.49Å; I279-Y333 HydrophobicContact CD1-CD1 4.29Å; I279-Y333 HydrophobicContact CD1-CE1 3.38Å; I279-Y333 HydrophobicContact CD1-CE2 4.3Å; I279-Y333 WeakPolarHBondContact CD1-OH 3.39Å; M313-Y333 HydrophobicContact CE-CD1 3.58Å; M313-Y333 HydrophobicContact CE-CE1 3.94Å; M313-Y333 HydrophobicContact SD-CD1 4.26Å; M313-Y333 HydrophobicContact SD-CE1 4.31Å; S329-Y333 WeakPolarHBondContact O-CB 3.49Å; S329-Y333 PolarHBondContact O-N 3.03Å; T330-Y333 WeakPolarHBondContact O-CB 3.37Å; T330-Y333 PolarHBondContact O-N 3.48Å; L331-Y333 VanDerWaalsContact C-N 3.29Å; L331-Y333 PolarHBondContact O-N 3.34Å; Y333-N335 VanDerWaalsContact C-N 3.31Å; Y333-N335 PolarHBondContact O-N 3.17Å; Y333-R336 PolarHBondContact O-N 3.38Å; Y333-A337 PolarHBondContact O-N 3.47Å |
| 334 | A | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 F58 M313 A315 T330 L331 R336 A337 K338 | V12-A334 HydrophobicContact CG1-CB 3.76Å; F58-A334 HydrophobicContact CD1-CB 4.46Å; F58-A334 HydrophobicContact CE1-CB 3.7Å; F58-A334 HydrophobicContact CZ-CB 4.32Å; M313-A334 HydrophobicContact CE-CB 4.02Å; M313-A334 HydrophobicContact SD-CB 4.44Å; A315-A334 HydrophobicContact CB-CB 3.8Å; T330-A334 WeakPolarHBondContact O-CB 3.43Å; T330-A334 PolarHBondContact O-N 2.99Å; L331-A334 PolarHBondContact O-N 2.92Å; A334-R336 VanDerWaalsContact C-N 3.34Å; A334-R336 PolarHBondContact O-N 3.41Å; A334-A337 PolarHBondContact O-N 2.75Å; A334-K338 PolarHBondContact O-N 3.14Å |
| 335 | N | 90.9 | Very high | 89.4 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 178.5 | -171.4 | 51.1 | 0 | 0 | 0 | 112.2 | F56 F58 L331 R332 Y333 N339 | F56-N335 HydrophobicContact CD1-CB 4.23Å; F58-N335 HydrophobicContact CE1-CB 4.19Å; L331-N335 VanDerWaalsContact O-CB 3.28Å; L331-N335 WeakPolarHBondContact O-CB 3.37Å; L331-N335 PolarHBondContact O-N 2.78Å; R332-N335 PolarHBondContact O-N 3.42Å; Y333-N335 VanDerWaalsContact C-N 3.31Å; Y333-N335 PolarHBondContact O-N 3.17Å; N335-N339 PolarHBondContact O-ND2 2.86Å |
| 336 | R | 89.2 | Confident | 89.5 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 36% | 0.358 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.4 | -48.7 | 170.2 | -72 | -175.6 | -71.6 | 175.8 | -7.7 | 110.9 | I279 S280 V283 R332 Y333 A334 K338 N339 | I279-R336 HydrophobicContact CG2-CB 3.89Å; S280-R336 PolarHBondContact OG-NH1 3.31Å; V283-R336 WeakPolarHBondContact CG2-O 3.14Å; R332-R336 PolarHBondContact O-N 3.32Å; R332-R336 VanDerWaalsContact O-N 3.13Å; Y333-R336 PolarHBondContact O-N 3.38Å; A334-R336 VanDerWaalsContact C-N 3.34Å; A334-R336 PolarHBondContact O-N 3.41Å; R336-K338 PolarHBondContact O-N 3.32Å; R336-K338 VanDerWaalsContact O-N 3.17Å; R336-N339 PolarHBondContact O-N 3.39Å |
| 337 | A | 89.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -34.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V12 I279 M313 Y333 A334 N339 I340 | V12-A337 HydrophobicContact CG2-CB 4.33Å; I279-A337 HydrophobicContact CD1-CB 3.96Å; I279-A337 HydrophobicContact CG2-CB 4.49Å; M313-A337 HydrophobicContact SD-CB 3.66Å; Y333-A337 PolarHBondContact O-N 3.47Å; A334-A337 PolarHBondContact O-N 2.75Å; A337-N339 PolarHBondContact O-N 2.56Å; A337-N339 VanDerWaalsContact O-N 3.1Å; A337-I340 HydrophobicContact CB-CD1 4.31Å; A337-I340 WeakPolarHBondContact O-CB 3.41Å; A337-I340 WeakPolarHBondContact O-CG1 3.42Å; A337-I340 PolarHBondContact O-N 2.88Å |
| 338 | K | 89.8 | Confident | 89.1 | Confident | 46 Ų | 46 | 45.6 Ų | 45.6 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -28.1 | 176.2 | -167.6 | -176.4 | -175.6 | -177.5 | 0 | 114 | V12 T57 D59 A334 R336 | V12-K338 HydrophobicContact CB-CB 4.41Å; V12-K338 HydrophobicContact CG2-CB 3.85Å; V12-K338 HydrophobicContact CG2-CG 4.41Å; T57-K338 PolarHBondContact O-NZ 2.94Å; D59-K338 WeakPolarHBondContact OD1-CE 3.43Å; D59-K338 IonicContact OD1-NZ 3.61Å; A334-K338 PolarHBondContact O-N 3.14Å; R336-K338 PolarHBondContact O-N 3.32Å; R336-K338 VanDerWaalsContact O-N 3.17Å |
| 339 | N | 88.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 49.5 Ų | 49.5 | 47% | 0.471 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 0.4 | -177.5 | -61.3 | -52.9 | 0 | 0 | 0 | 113.5 | V283 N335 R336 A337 | V283-N339 HydrophobicContact CG1-CB 3.93Å; V283-N339 HydrophobicContact CG2-CB 4.08Å; N335-N339 PolarHBondContact O-ND2 2.86Å; R336-N339 PolarHBondContact O-N 3.39Å; A337-N339 PolarHBondContact O-N 2.56Å; A337-N339 VanDerWaalsContact O-N 3.1Å |
| 340 | I | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -71.7 | 130.3 | 174.3 | -59.8 | 169.6 | 0 | 0 | 0 | 108.9 | N9 V10 I279 L282 V283 L305 A337 | N9-I340 WeakPolarHBondContact CA-O 3.05Å; V10-I340 HydrophobicContact CB-CB 4.37Å; V10-I340 HydrophobicContact CG2-CB 3.73Å; V10-I340 HydrophobicContact CG2-CG2 3.83Å; V10-I340 PolarHBondContact N-O 3.17Å; I279-I340 HydrophobicContact CB-CD1 4.11Å; I279-I340 HydrophobicContact CD1-CD1 3.98Å; I279-I340 HydrophobicContact CG1-CD1 3.64Å; I279-I340 HydrophobicContact CG2-CD1 3.89Å; I279-I340 HydrophobicContact CG2-CG1 4.32Å; L282-I340 HydrophobicContact CB-CG1 4.37Å; L282-I340 HydrophobicContact CD1-CD1 4.49Å; L282-I340 HydrophobicContact CD1-CG2 4.11Å; V283-I340 HydrophobicContact CG2-CG1 3.97Å; L305-I340 HydrophobicContact CD2-CD1 4.26Å; A337-I340 HydrophobicContact CB-CD1 4.31Å; A337-I340 WeakPolarHBondContact O-CB 3.41Å; A337-I340 WeakPolarHBondContact O-CG1 3.42Å; A337-I340 PolarHBondContact O-N 2.88Å | ||
| 341 | K | 86.9 | Confident | 86 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 59% | 0.587 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.5 | 178 | -60.9 | -176.6 | 178.3 | -179.8 | 0 | 110.3 | N9 | N9-K341 WeakPolarHBondContact OD1-CG 3.43Å |
| 342 | N | 88.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.1 | 173.5 | -71.2 | 0.9 | 0 | 0 | 0 | 111 | D8 S304 G306 S309 T311 | D8-N342 PolarHBondContact N-O 3.05Å; D8-N342 PolarHBondContact O-N 2.66Å; S304-N342 PolarHBondContact O-ND2 3.49Å; G306-N342 VanDerWaalsContact CA-OD1 3.31Å; G306-N342 WeakPolarHBondContact CA-OD1 3.31Å; G306-N342 PolarHBondContact N-OD1 3.05Å; S309-N342 VanDerWaalsContact O-CB 3.31Å; S309-N342 WeakPolarHBondContact O-CB 3.5Å; S309-N342 PolarHBondContact O-ND2 2.9Å; T311-N342 WeakPolarHBondContact CB-ND2 3.39Å; T311-N342 PolarHBondContact OG1-ND2 3.48Å; T311-N342 VanDerWaalsContact OG1-ND2 3.17Å |
| 343 | K | 87.3 | Confident | 83.8 | Confident | 121 Ų | 121 | 58 Ų | 58 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | trans | -118 | 72.9 | 177.5 | -64.8 | -169.7 | 177.2 | -155.5 | 0 | 109.9 | E5 G307 | E5-K343 IonicContact OE2-NZ 2.66Å; E5-K343 PolarHBondContact OE2-NZ 2.94Å; G307-K343 PolarHBondContact O-N 3.03Å | ||
| 344 | A | 88.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 60 Ų | 60 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | trans | -72.1 | 130.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y87 N308 K310 | Y87-A344 HydrophobicContact CD1-CB 4.04Å; Y87-A344 HydrophobicContact CE1-CB 4.41Å; N308-A344 WeakPolarHBondContact OD1-CA 3.41Å; K310-A344 HydrophobicContact CD-CB 3.52Å; K310-A344 HydrophobicContact CG-CB 3.71Å | ||
| 345 | K | 88.8 | Confident | 82.3 | Confident | 136 Ų | 136 | 60 Ų | 60 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | trans | -131.2 | 150.6 | 175.6 | 59.1 | 174.2 | -178.7 | -179 | 0 | 110.2 | N308 | N308-K345 HydrophobicContact CB-CG 4.39Å; N308-K345 VanDerWaalsContact CG-CG 3.45Å; N308-K345 WeakPolarHBondContact ND2-CE 3.33Å; N308-K345 WeakPolarHBondContact ND2-CG 3.49Å; N308-K345 WeakPolarHBondContact OD1-CG 3.45Å; N308-K345 PolarHBondContact OD1-N 3.33Å; N308-K345 PolarHBondContact OD1-O 2.96Å | ||
| 346 | I | 88.2 | Confident | 81.8 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | trans | -69.2 | 132.7 | 174.3 | -57.5 | 177.9 | 0 | 0 | 0 | 108.6 | Y87 E348 | Y87-I346 HydrophobicContact CD1-CG1 4.21Å; Y87-I346 HydrophobicContact CD2-CG1 3.95Å; Y87-I346 HydrophobicContact CE1-CG1 3.68Å; Y87-I346 HydrophobicContact CE2-CD1 3.83Å; Y87-I346 HydrophobicContact CE2-CG1 3.39Å; Y87-I346 HydrophobicContact CG-CG1 4.34Å; Y87-I346 WeakPolarHBondContact OH-CG1 3.38Å; I346-E348 HydrophobicContact CB-CG 4.33Å; I346-E348 HydrophobicContact CG2-CG 3.66Å; I346-E348 PolarHBondContact O-N 2.79Å | ||
| 347 | N | 86.9 | Confident | 81.3 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 15% | 0.15 | 29% | 0.291 | C | S | . | . | trans | -88.6 | 92.2 | 175.1 | -50.5 | -56.4 | 0 | 0 | 0 | 109.6 | G86 N88 R237 Q238 N308 | G86-N347 PolarHBondContact O-N 3.34Å; G86-N347 PolarHBondContact O-ND2 2.88Å; N88-N347 PolarHBondContact OD1-ND2 3.45Å; R237-N347 WeakPolarHBondContact CA-O 3.1Å; Q238-N347 PolarHBondContact N-O 3.29Å; Q238-N347 WeakPolarHBondContact O-CB 3.5Å; Q238-N347 PolarHBondContact O-ND2 3.12Å; N308-N347 PolarHBondContact ND2-OD1 3.35Å | ||
| 348 | E | 82.7 | Confident | 80.7 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -94.9 | 142.5 | 176 | -57.1 | -165.9 | 138.7 | 0 | 0 | 111.7 | L236 R237 I346 | L236-E348 CarbonylContact O-C 3.59Å; L236-E348 WeakPolarHBondContact O-CA 3.36Å; R237-E348 HydrophobicContact CG-CG 4.36Å; R237-E348 IonicContact CZ-OE1 3.32Å; R237-E348 IonicContact NE-OE1 3.71Å; R237-E348 PolarHBondContact NE-OE1 3.37Å; R237-E348 IonicContact NH2-OE1 3.96Å; R237-E348 PolarHBondContact NH2-OE1 3.02Å; I346-E348 HydrophobicContact CB-CG 4.33Å; I346-E348 HydrophobicContact CG2-CG 3.66Å; I346-E348 PolarHBondContact O-N 2.79Å |
| 349 | D | 71.9 | Confident | 80 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 41.8 | 54.6 | -178 | -67.2 | -33.1 | 0 | 0 | 0 | 115.2 | L236 K351 | L236-D349 WeakPolarHBondContact CB-OD1 3.43Å; L236-D349 PolarHBondContact N-OD1 3.24Å; L236-D349 PolarHBondContact O-N 2.79Å; D349-K351 PolarHBondContact O-N 2.89Å |
| 350 | P | 69.2 | Low | 79.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | trans | -62.3 | 134 | -178.5 | 19.1 | -22.6 | 0 | 0 | 0 | 110.9 | Q238 D352 A353 | Q238-P350 HydrophobicContact CB-CG 3.62Å; P350-D352 PolarHBondContact O-N 3.33Å; P350-A353 HydrophobicContact CG-CB 4.14Å; P350-A353 WeakPolarHBondContact O-CB 3.37Å; P350-A353 PolarHBondContact O-N 2.99Å; P350-A353 VanDerWaalsContact O-N 3.12Å | ||
| 351 | K | 66 | Low | 79.2 | Confident | 153 Ų | 153 | 66.3 Ų | 66.3 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.9 | -177.1 | -69.9 | -178.6 | -179.6 | 176 | 0 | 112.4 | D349 A353 R356 | D349-K351 PolarHBondContact O-N 2.89Å; K351-A353 VanDerWaalsContact C-N 3.35Å; K351-R356 PolarHBondContact O-NH2 3.12Å |
| 352 | D | 65.1 | Low | 78.8 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 17.2 | -178.3 | -56 | -71.7 | 0 | 0 | 0 | 113.9 | I172 P350 M354 | I172-D352 HydrophobicContact CD1-CB 4.32Å; I172-D352 VanDerWaalsContact CD1-OD2 3.29Å; I172-D352 WeakPolarHBondContact CD1-OD2 3.27Å; I172-D352 HydrophobicContact CG1-CB 4.38Å; I172-D352 WeakPolarHBondContact CG1-OD2 3.36Å; P350-D352 PolarHBondContact O-N 3.33Å; D352-M354 PolarHBondContact O-N 2.62Å; D352-M354 VanDerWaalsContact O-N 3.09Å |
| 353 | A | 71.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -62.9 | 114.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L236 P350 K351 L355 R356 | L236-A353 HydrophobicContact CD1-CB 4.4Å; L236-A353 HydrophobicContact CD2-CB 3.12Å; L236-A353 HydrophobicContact CG-CB 3.98Å; P350-A353 HydrophobicContact CG-CB 4.14Å; P350-A353 WeakPolarHBondContact O-CB 3.37Å; P350-A353 PolarHBondContact O-N 2.99Å; P350-A353 VanDerWaalsContact O-N 3.12Å; K351-A353 VanDerWaalsContact C-N 3.35Å; A353-L355 VanDerWaalsContact C-N 3.31Å; A353-R356 HydrophobicContact CB-CB 4.37Å; A353-R356 PolarHBondContact O-N 3.31Å | ||
| 354 | M | 75.7 | Confident | 78.2 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.7 | -29.9 | 177 | -66.5 | -61.1 | -66 | 0 | 0 | 110.9 | L139 R141 E224 D352 R356 Q357 F358 | L139-M354 HydrophobicContact CD2-CB 3.95Å; R141-M354 VanDerWaalsContact NH1-CG 3.33Å; E224-M354 PolarHBondContact OE2-N 2.82Å; D352-M354 PolarHBondContact O-N 2.62Å; D352-M354 VanDerWaalsContact O-N 3.09Å; M354-R356 PolarHBondContact O-N 2.9Å; M354-Q357 CarbonylContact O-C 3.59Å; M354-Q357 WeakPolarHBondContact O-CA 3.42Å; M354-Q357 WeakPolarHBondContact O-CB 3.42Å; M354-Q357 PolarHBondContact O-N 3.17Å; M354-Q357 PolarHBondContact SD-OE1 2.84Å; M354-F358 HydrophobicContact CE-CE1 4.27Å; M354-F358 HydrophobicContact CE-CZ 4.34Å; M354-F358 PolarHBondContact O-N 3.25Å |
| 355 | L | 75.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.3 | -38.2 | 175.7 | -177.4 | 57.5 | 0 | 0 | 0 | 111.1 | L139 E224 S226 L236 A353 F358 Q359 I480 | L139-L355 HydrophobicContact CB-CB 4.31Å; L139-L355 HydrophobicContact CB-CD1 4.07Å; L139-L355 HydrophobicContact CD2-CB 4.25Å; E224-L355 HydrophobicContact CB-CB 4.05Å; E224-L355 HydrophobicContact CB-CD2 4.16Å; E224-L355 WeakPolarHBondContact OE2-CB 3.43Å; E224-L355 PolarHBondContact OE2-N 3.47Å; S226-L355 VanDerWaalsContact CB-CD2 3.45Å; L236-L355 HydrophobicContact CD1-CB 4.15Å; L236-L355 HydrophobicContact CD1-CD2 3.81Å; L236-L355 HydrophobicContact CD1-CG 4.23Å; A353-L355 VanDerWaalsContact C-N 3.31Å; L355-F358 PolarHBondContact O-N 3.07Å; L355-Q359 HydrophobicContact CD1-CG 4.47Å; L355-Q359 WeakPolarHBondContact O-CB 3.48Å; L355-Q359 VanDerWaalsContact O-CG 3.22Å; L355-Q359 WeakPolarHBondContact O-CG 3.39Å; L355-Q359 PolarHBondContact O-N 3.21Å; L355-I480 HydrophobicContact CD1-CD1 4.07Å; L355-I480 HydrophobicContact CD1-CG1 4.13Å; L355-I480 HydrophobicContact CD1-CG2 4.18Å |
| 356 | R | 78.6 | Confident | 77 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 173.7 | -177.1 | 173.6 | 64.8 | -178.6 | 2.5 | 112.5 | L236 K351 A353 M354 K360 | L236-R356 HydrophobicContact CD2-CB 4.03Å; K351-R356 PolarHBondContact O-NH2 3.12Å; A353-R356 HydrophobicContact CB-CB 4.37Å; A353-R356 PolarHBondContact O-N 3.31Å; M354-R356 PolarHBondContact O-N 2.9Å; R356-K360 WeakPolarHBondContact O-CB 3.24Å; R356-K360 VanDerWaalsContact O-CG 3.32Å; R356-K360 WeakPolarHBondContact O-CG 3.12Å; R356-K360 PolarHBondContact O-N 3.28Å |
| 357 | Q | 79.6 | Confident | 76.6 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 176.7 | -62.8 | -178.3 | 3.6 | 0 | 0 | 110.9 | M354 K360 E361 | M354-Q357 CarbonylContact O-C 3.59Å; M354-Q357 WeakPolarHBondContact O-CA 3.42Å; M354-Q357 WeakPolarHBondContact O-CB 3.42Å; M354-Q357 PolarHBondContact O-N 3.17Å; M354-Q357 PolarHBondContact SD-OE1 2.84Å; Q357-K360 PolarHBondContact O-N 2.88Å; Q357-E361 WeakPolarHBondContact O-CB 3.28Å; Q357-E361 PolarHBondContact O-N 3.08Å |
| 358 | F | 76.6 | Confident | 75.9 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 10% | 0.096 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65 | -40 | 176.5 | -68.1 | -19.8 | 0 | 0 | 0 | 112.4 | L139 M354 L355 E361 I362 L476 I480 | L139-F358 HydrophobicContact CD1-CD2 4.25Å; L139-F358 HydrophobicContact CD1-CE2 4.06Å; L139-F358 HydrophobicContact CD2-CD2 3.95Å; L139-F358 HydrophobicContact CD2-CE2 3.91Å; M354-F358 HydrophobicContact CE-CE1 4.27Å; M354-F358 HydrophobicContact CE-CZ 4.34Å; M354-F358 PolarHBondContact O-N 3.25Å; L355-F358 PolarHBondContact O-N 3.07Å; F358-E361 PolarHBondContact O-N 3.31Å; F358-I362 WeakPolarHBondContact O-CB 3.35Å; F358-I362 WeakPolarHBondContact O-CD1 3.37Å; F358-I362 WeakPolarHBondContact O-CG1 3.3Å; F358-I362 PolarHBondContact O-N 3.43Å; F358-L476 HydrophobicContact CD1-CD2 4.06Å; F358-L476 HydrophobicContact CE1-CD2 4.22Å; F358-I480 HydrophobicContact CB-CD1 4.2Å |
| 359 | Q | 75.7 | Confident | 75.4 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 173.5 | -76.9 | 176 | -4.7 | 0 | 0 | 111.7 | S226 L355 I362 E363 | S226-Q359 VanDerWaalsContact CB-NE2 3.31Å; S226-Q359 PolarHBondContact OG-NE2 2.63Å; L355-Q359 HydrophobicContact CD1-CG 4.47Å; L355-Q359 WeakPolarHBondContact O-CB 3.48Å; L355-Q359 VanDerWaalsContact O-CG 3.22Å; L355-Q359 WeakPolarHBondContact O-CG 3.39Å; L355-Q359 PolarHBondContact O-N 3.21Å; Q359-I362 PolarHBondContact O-N 2.8Å; Q359-E363 WeakPolarHBondContact O-CB 3.47Å; Q359-E363 PolarHBondContact O-N 2.87Å |
| 360 | K | 81.3 | Confident | 75.4 | Confident | 116 Ų | 116 | 70.7 Ų | 70.7 | 50% | 0.504 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 175.4 | -74.5 | 178.7 | 178.9 | -173.8 | 0 | 112.7 | R356 Q357 E363 Q364 | R356-K360 WeakPolarHBondContact O-CB 3.24Å; R356-K360 VanDerWaalsContact O-CG 3.32Å; R356-K360 WeakPolarHBondContact O-CG 3.12Å; R356-K360 PolarHBondContact O-N 3.28Å; Q357-K360 PolarHBondContact O-N 2.88Å; K360-E363 PolarHBondContact O-N 3.1Å; K360-Q364 WeakPolarHBondContact O-CB 3.49Å; K360-Q364 VanDerWaalsContact O-CG 3.3Å; K360-Q364 WeakPolarHBondContact O-CG 3.46Å; K360-Q364 PolarHBondContact O-N 3.08Å |
| 361 | E | 79.6 | Confident | 75.2 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 177.3 | -169.5 | 176.7 | 179.1 | 0 | 0 | 110.8 | Q357 F358 E363 Q364 L365 R472 L476 | Q357-E361 WeakPolarHBondContact O-CB 3.28Å; Q357-E361 PolarHBondContact O-N 3.08Å; F358-E361 PolarHBondContact O-N 3.31Å; E361-E363 PolarHBondContact O-N 2.93Å; E361-Q364 PolarHBondContact O-N 3.44Å; E361-L365 HydrophobicContact CG-CD1 4.08Å; E361-L365 HydrophobicContact CG-CG 4.42Å; E361-L365 WeakPolarHBondContact O-CB 3.36Å; E361-L365 WeakPolarHBondContact O-CG 3.28Å; E361-L365 PolarHBondContact O-N 2.82Å; E361-R472 IonicContact OE1-CZ 2.73Å; E361-R472 IonicContact OE1-NE 3.64Å; E361-R472 PolarHBondContact OE1-NE 3.17Å; E361-R472 IonicContact OE1-NH2 3.82Å; E361-R472 PolarHBondContact OE1-NH2 3.1Å; E361-L476 HydrophobicContact CB-CD1 4.25Å; E361-L476 VanDerWaalsContact CD-CD1 3.44Å; E361-L476 HydrophobicContact CG-CD1 3.72Å |
| 362 | I | 78.3 | Confident | 74.8 | Confident | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 173.9 | -70.1 | 164.6 | 0 | 0 | 0 | 110.9 | F358 Q359 L365 R366 L476 Q477 I480 | F358-I362 WeakPolarHBondContact O-CB 3.35Å; F358-I362 WeakPolarHBondContact O-CD1 3.37Å; F358-I362 WeakPolarHBondContact O-CG1 3.3Å; F358-I362 PolarHBondContact O-N 3.43Å; Q359-I362 PolarHBondContact O-N 2.8Å; I362-L365 PolarHBondContact O-N 3.26Å; I362-R366 HydrophobicContact CG2-CG 4.42Å; I362-R366 WeakPolarHBondContact O-CB 3.37Å; I362-R366 VanDerWaalsContact O-CG 3.24Å; I362-R366 WeakPolarHBondContact O-CG 3.21Å; I362-R366 PolarHBondContact O-N 3.16Å; I362-L476 HydrophobicContact CD1-CB 4.21Å; I362-L476 HydrophobicContact CG1-CB 3.93Å; I362-Q477 HydrophobicContact CD1-CG 3.99Å; I362-Q477 HydrophobicContact CG1-CG 4.38Å; I362-Q477 HydrophobicContact CG2-CG 4.34Å; I362-I480 HydrophobicContact CD1-CD1 3.49Å; I362-I480 VanDerWaalsContact CD1-CD1 3.49Å |
| 363 | E | 80.8 | Confident | 74.2 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 176.6 | -171.9 | -179.6 | -171 | 0 | 0 | 111.8 | Q359 K360 E361 R366 K367 | Q359-E363 WeakPolarHBondContact O-CB 3.47Å; Q359-E363 PolarHBondContact O-N 2.87Å; K360-E363 PolarHBondContact O-N 3.1Å; E361-E363 PolarHBondContact O-N 2.93Å; E363-R366 PolarHBondContact O-N 3.08Å; E363-K367 WeakPolarHBondContact O-CB 3.36Å; E363-K367 PolarHBondContact O-N 3.26Å |
| 364 | Q | 81 | Confident | 73 | Confident | 121 Ų | 121 | 69.8 Ų | 69.8 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 175.5 | -74.1 | 177.4 | 3.5 | 0 | 0 | 112.1 | K360 E361 R366 K367 Q368 | K360-Q364 WeakPolarHBondContact O-CB 3.49Å; K360-Q364 VanDerWaalsContact O-CG 3.3Å; K360-Q364 WeakPolarHBondContact O-CG 3.46Å; K360-Q364 PolarHBondContact O-N 3.08Å; E361-Q364 PolarHBondContact O-N 3.44Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; Q364-K367 PolarHBondContact O-N 2.97Å; Q364-Q368 WeakPolarHBondContact O-CG 3.37Å; Q364-Q368 PolarHBondContact O-N 3.1Å |
| 365 | L | 77.1 | Confident | 71.5 | Confident | 10 Ų | 10 | 72 Ų | 72 | 5% | 0.052 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.7 | -72.5 | 170.5 | 0 | 0 | 0 | 111.5 | E361 I362 Q368 L369 L469 R472 M473 L476 | E361-L365 HydrophobicContact CG-CD1 4.08Å; E361-L365 HydrophobicContact CG-CG 4.42Å; E361-L365 WeakPolarHBondContact O-CB 3.36Å; E361-L365 WeakPolarHBondContact O-CG 3.28Å; E361-L365 PolarHBondContact O-N 2.82Å; I362-L365 PolarHBondContact O-N 3.26Å; L365-Q368 PolarHBondContact O-N 3.12Å; L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 WeakPolarHBondContact O-CG 3.32Å; L365-L369 PolarHBondContact O-N 2.64Å; L365-L469 HydrophobicContact CD2-CD2 3.51Å; L365-R472 HydrophobicContact CD1-CG 4.19Å; L365-M473 VanDerWaalsContact C-CE 3.4Å; L365-M473 HydrophobicContact CB-CE 3.76Å; L365-M473 HydrophobicContact CD1-CB 4.42Å; L365-L476 HydrophobicContact CD1-CD1 3.67Å |
| 366 | R | 76.2 | Confident | 69.6 | Low | 115 Ų | 115 | 76.4 Ų | 76.4 | 43% | 0.434 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 173.5 | -78.1 | 176.9 | 179.2 | -165.1 | -1 | 110.8 | I362 E363 Q364 Q368 L369 E370 M473 | I362-R366 HydrophobicContact CG2-CG 4.42Å; I362-R366 WeakPolarHBondContact O-CB 3.37Å; I362-R366 VanDerWaalsContact O-CG 3.24Å; I362-R366 WeakPolarHBondContact O-CG 3.21Å; I362-R366 PolarHBondContact O-N 3.16Å; E363-R366 PolarHBondContact O-N 3.08Å; Q364-R366 VanDerWaalsContact C-N 3.34Å; R366-Q368 VanDerWaalsContact C-N 3.35Å; R366-Q368 PolarHBondContact O-N 3.36Å; R366-L369 PolarHBondContact O-N 2.82Å; R366-E370 WeakPolarHBondContact O-CG 3.36Å; R366-E370 PolarHBondContact O-N 2.87Å; R366-M473 VanDerWaalsContact CA-CE 3.48Å; R366-M473 HydrophobicContact CB-CE 4.08Å; R366-M473 HydrophobicContact CG-CE 3.44Å; R366-M473 VanDerWaalsContact CG-CE 3.44Å; R366-M473 HydrophobicContact CG-SD 3.66Å; R366-M473 VanDerWaalsContact N-CE 3.27Å |
| 367 | K | 78.8 | Confident | 67.4 | Low | 114 Ų | 114 | 78.9 Ų | 78.9 | 50% | 0.496 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.5 | -171.1 | 175.1 | 179.7 | 178.6 | 0 | 112.1 | E363 Q364 L369 E370 E371 | E363-K367 WeakPolarHBondContact O-CB 3.36Å; E363-K367 PolarHBondContact O-N 3.26Å; Q364-K367 PolarHBondContact O-N 2.97Å; K367-L369 PolarHBondContact O-N 3.43Å; K367-E370 PolarHBondContact O-N 3.31Å; K367-E371 WeakPolarHBondContact CE-OE1 3.48Å; K367-E371 VanDerWaalsContact CE-OE2 3.26Å; K367-E371 WeakPolarHBondContact CE-OE2 3.35Å; K367-E371 HydrophobicContact CG-CG 4.06Å; K367-E371 IonicContact NZ-OE1 2.79Å; K367-E371 VanDerWaalsContact O-CB 3.25Å; K367-E371 WeakPolarHBondContact O-CB 3.3Å; K367-E371 WeakPolarHBondContact O-CG 3.49Å; K367-E371 PolarHBondContact O-N 3.02Å |
| 368 | Q | 72.8 | Confident | 65.2 | Low | 83 Ų | 83 | 79.4 Ų | 79.4 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64 | -38 | 175.2 | -75 | 175.9 | 0 | 0 | 0 | 112.6 | Q364 L365 R366 G372 G373 L469 | Q364-Q368 WeakPolarHBondContact O-CG 3.37Å; Q364-Q368 PolarHBondContact O-N 3.1Å; L365-Q368 PolarHBondContact O-N 3.12Å; R366-Q368 VanDerWaalsContact C-N 3.35Å; R366-Q368 PolarHBondContact O-N 3.36Å; Q368-G372 VanDerWaalsContact O-CA 3.28Å; Q368-G372 WeakPolarHBondContact O-CA 3.43Å; Q368-G372 PolarHBondContact O-N 3.15Å; Q368-G373 PolarHBondContact O-N 3.12Å; Q368-L469 HydrophobicContact CB-CD2 4.48Å |
| 369 | L | 72.3 | Confident | 62.9 | Low | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -68.7 | -35.2 | 174.4 | -75.8 | -175.2 | 0 | 0 | 0 | 112.7 | L365 R366 K367 R466 L469 M473 | L365-L369 WeakPolarHBondContact O-CB 3.46Å; L365-L369 WeakPolarHBondContact O-CG 3.32Å; L365-L369 PolarHBondContact O-N 2.64Å; R366-L369 PolarHBondContact O-N 2.82Å; K367-L369 PolarHBondContact O-N 3.43Å; L369-R466 HydrophobicContact CD2-CG 3.64Å; L369-L469 HydrophobicContact CD2-CB 3.58Å; L369-L469 HydrophobicContact CD2-CD1 4.28Å; L369-L469 HydrophobicContact CG-CB 4.25Å; L369-M473 HydrophobicContact CD1-CE 3.31Å; L369-M473 HydrophobicContact CD1-SD 4.24Å; L369-M473 HydrophobicContact CG-CE 4.07Å |
| 370 | E | 70.8 | Confident | 60.6 | Low | 148 Ų | 148 | 89.7 Ų | 89.7 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.9 | -44.9 | 177.5 | -76 | 178.2 | -176.4 | 0 | 0 | 112.5 | R366 K367 G372 | R366-E370 WeakPolarHBondContact O-CG 3.36Å; R366-E370 PolarHBondContact O-N 2.87Å; K367-E370 PolarHBondContact O-N 3.31Å; E370-G372 VanDerWaalsContact C-N 3.28Å |
| 371 | E | 67 | Low | 58.1 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -80.3 | -11.1 | 179.9 | -64.1 | -177.3 | 161 | 0 | 0 | 112.5 | K367 G373 | K367-E371 WeakPolarHBondContact CE-OE1 3.48Å; K367-E371 VanDerWaalsContact CE-OE2 3.26Å; K367-E371 WeakPolarHBondContact CE-OE2 3.35Å; K367-E371 HydrophobicContact CG-CG 4.06Å; K367-E371 IonicContact NZ-OE1 2.79Å; K367-E371 VanDerWaalsContact O-CB 3.25Å; K367-E371 WeakPolarHBondContact O-CB 3.3Å; K367-E371 WeakPolarHBondContact O-CG 3.49Å; K367-E371 PolarHBondContact O-N 3.02Å; E371-G373 PolarHBondContact O-N 2.88Å |
| 372 | G | 57.4 | Low | 55.7 | Low | 23 Ų | 23 | 94.3 Ų | 94.3 | 24% | 0.237 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q368 E370 I374 L415 | Q368-G372 VanDerWaalsContact O-CA 3.28Å; Q368-G372 WeakPolarHBondContact O-CA 3.43Å; Q368-G372 PolarHBondContact O-N 3.15Å; E370-G372 VanDerWaalsContact C-N 3.28Å; G372-I374 PolarHBondContact O-N 2.99Å; G372-I374 VanDerWaalsContact O-N 3.08Å; G372-L415 WeakPolarHBondContact CA-O 3.5Å; G372-L415 WeakPolarHBondContact O-CB 3.49Å |
| 373 | G | 51.1 | Low | 53.2 | Low | 15 Ų | 15 | 103.2 Ų | 103.2 | 16% | 0.155 | 55% | 0.55 | C | S | . | . | trans | -67.4 | 106.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q368 E371 P375 | Q368-G373 PolarHBondContact O-N 3.12Å; E371-G373 PolarHBondContact O-N 2.88Å; G373-P375 WeakPolarHBondContact O-CD 3.47Å | ||
| 374 | I | 47.2 | Very low | 50.7 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | trans | -71.7 | 122.5 | 159.4 | -56.8 | 163.3 | 0 | 0 | 0 | 106.1 | G372 S376 L415 V462 | G372-I374 PolarHBondContact O-N 2.99Å; G372-I374 VanDerWaalsContact O-N 3.08Å; I374-S376 PolarHBondContact O-N 2.64Å; I374-L415 HydrophobicContact CD1-CD1 4.3Å; I374-L415 HydrophobicContact CD1-CD2 3.76Å; I374-L415 HydrophobicContact CG1-CD2 4.39Å; I374-V462 HydrophobicContact CD1-CG2 4.09Å | ||
| 375 | P | 44.3 | Very low | 48 | Very low | 99 Ų | 99 | 103.7 Ų | 103.7 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | trans | -60.6 | 110.9 | 158 | 24.9 | -29.2 | 0 | 0 | 0 | 105.9 | G373 N377 | G373-P375 WeakPolarHBondContact O-CD 3.47Å; P375-N377 PolarHBondContact O-N 2.64Å | ||
| 376 | S | 35 | Very low | 45.5 | Very low | 92 Ų | 92 | 108 Ų | 108 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | trans | -58.8 | 91.4 | 165.1 | 46.9 | 0 | 0 | 0 | 0 | 106.1 | I374 P378 | I374-S376 PolarHBondContact O-N 2.64Å; S376-P378 VanDerWaalsContact O-CD 3.31Å; S376-P378 WeakPolarHBondContact O-CD 3.32Å; S376-P378 VanDerWaalsContact O-N 3.15Å | ||
| 377 | N | 32.1 | Very low | 43.2 | Very low | 142 Ų | 142 | 109.6 Ų | 109.6 | 76% | 0.759 | 62% | 0.621 | S | S | * | * | trans | -59.4 | 119.1 | 169 | -144 | 23.6 | 0 | 0 | 0 | 104 | P375 T379 | P375-N377 PolarHBondContact O-N 2.64Å; N377-T379 PolarHBondContact O-N 3.46Å | ||
| 378 | P | 34.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | trans | -56.3 | 112.5 | 172.8 | -15.2 | 28.3 | 0 | 0 | 0 | 105.4 | S376 N380 | S376-P378 VanDerWaalsContact O-CD 3.31Å; S376-P378 WeakPolarHBondContact O-CD 3.32Å; S376-P378 VanDerWaalsContact O-N 3.15Å; P378-N380 PolarHBondContact O-N 3.22Å | ||
| 379 | T | 28.4 | Very low | 38.6 | Very low | 119 Ų | 119 | 115 Ų | 115 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -35.8 | 122.8 | 176.7 | 42.4 | 0 | 0 | 0 | 0 | 111.8 | N377 A381 | N377-T379 PolarHBondContact O-N 3.46Å; T379-A381 PolarHBondContact O-N 2.87Å |
| 380 | N | 26.4 | Very low | 36.5 | Very low | 165 Ų | 165 | 119 Ų | 119 | 88% | 0.882 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.5 | 50 | 141.7 | -55.5 | -20.6 | 0 | 0 | 0 | 117.2 | P378 | P378-N380 PolarHBondContact O-N 3.22Š|
| 381 | A | 29.9 | Very low | 34.5 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 69% | 0.694 | 69% | 0.688 | S | S | * | * | trans | -110.9 | 94.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | T379 | T379-A381 PolarHBondContact O-N 2.87Š| ||
| 382 | E | 28.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 125.2 Ų | 125.2 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | 72.3 | 75.4 | 145.9 | -59.3 | 170.7 | -168 | 0 | 0 | 116.3 | Q384 | E382-Q384 PolarHBondContact O-N 2.79Š| ||
| 383 | E | 25.8 | Very low | 31.3 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | trans | -56.3 | 87.8 | 137.7 | -71.1 | -179.4 | 160.4 | 0 | 0 | 109.1 | ||||
| 384 | Q | 27.1 | Very low | 30.4 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | -173.4 | 102.5 | 156.9 | -107.5 | 163.9 | 61.6 | 0 | 0 | 109.1 | E382 | E382-Q384 PolarHBondContact O-N 2.79Š| ||
| 385 | G | 25.1 | Very low | 29.6 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | 158.2 | 71.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 386 | S | 25.3 | Very low | 29.1 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -58.3 | 145.4 | 151.5 | 49.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 387 | D | 26.5 | Very low | 29.1 | Very low | 148 Ų | 148 | 141 Ų | 141 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 74.8 | 99.4 | 161.9 | -45.7 | -34.8 | 0 | 0 | 0 | 116.8 | ||||
| 388 | D | 28.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | -169.5 | 106.7 | 121.9 | -112.3 | -16.8 | 0 | 0 | 0 | 111.6 | N390 | D388-N390 PolarHBondContact O-N 3.32Š| |||
| 389 | D | 26.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 99.4 | 160.5 | -75.3 | -46.4 | 0 | 0 | 0 | 108.6 | ||||
| 390 | N | 28.2 | Very low | 30.6 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | -139.2 | 81.3 | 166.6 | -150.4 | 6.9 | 0 | 0 | 0 | 111.8 | D388 E392 | D388-N390 PolarHBondContact O-N 3.32Å; N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 PolarHBondContact O-N 2.87Å; N390-E392 VanDerWaalsContact O-N 3.09Å | ||
| 391 | Y | 30.6 | Very low | 31.4 | Very low | 220 Ų | 220 | 141.4 Ų | 141.4 | 86% | 0.863 | 76% | 0.763 | S | S | * | * | trans | -76.6 | 80.9 | 166.1 | -72.2 | -81.6 | 0 | 0 | 0 | 109.3 | ||||
| 392 | E | 28.7 | Very low | 31.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -90.2 | 116.5 | 169.7 | -152.3 | 169.6 | -155.3 | 0 | 0 | 109.7 | N390 G394 | N390-E392 VanDerWaalsContact C-N 3.29Å; N390-E392 PolarHBondContact O-N 2.87Å; N390-E392 VanDerWaalsContact O-N 3.09Å; E392-G394 PolarHBondContact O-N 2.93Å | ||
| 393 | N | 27.8 | Very low | 32 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 94.5 | 176.4 | -88.1 | -30.4 | 0 | 0 | 0 | 110.5 | ||||
| 394 | G | 31.2 | Very low | 32.6 | Very low | 56 Ų | 56 | 140.7 Ų | 140.7 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | trans | -110.9 | 116.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E392 I396 | E392-G394 PolarHBondContact O-N 2.93Å; G394-I396 PolarHBondContact O-N 3.02Å | ||
| 395 | T | 31.1 | Very low | 33 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 92% | 0.92 | 73% | 0.729 | S | S | * | * | trans | -51.2 | 98.4 | 173.5 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 396 | I | 33.2 | Very low | 33.5 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | -96.3 | 116.5 | 173 | -67 | 171.1 | 0 | 0 | 0 | 108.4 | G394 | G394-I396 PolarHBondContact O-N 3.02Š| ||
| 397 | D | 36.1 | Very low | 34 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 58% | 0.578 | 72% | 0.723 | S | S | * | * | trans | -46 | 129.9 | 176.8 | -171.7 | -3.1 | 0 | 0 | 0 | 112.2 | N399 D400 | D397-N399 PolarHBondContact O-N 3.09Å; D397-D400 PolarHBondContact O-N 3.29Å | ||
| 398 | Q | 42.6 | Very low | 34.5 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -13.7 | -171.9 | -75.5 | 178.6 | 0.4 | 0 | 0 | 113.5 | ||
| 399 | N | 39.7 | Very low | 34.6 | Very low | 120 Ų | 120 | 143 Ų | 143 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -77.7 | -21.5 | -177.9 | -70.1 | -32.9 | 0 | 0 | 0 | 114.3 | D397 | D397-N399 PolarHBondContact O-N 3.09Å |
| 400 | D | 44.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 59% | 0.594 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -85.6 | -18.4 | 178.9 | -86.3 | -23.8 | 0 | 0 | 0 | 113.8 | D397 R404 | D397-D400 PolarHBondContact O-N 3.29Å; D400-R404 PolarHBondContact O-N 3Å |
| 401 | Q | 41.2 | Very low | 35.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -72.6 | -38.4 | 178.5 | -122.5 | 179.6 | 35.3 | 0 | 0 | 112 | N403 R404 L405 | Q401-N403 VanDerWaalsContact C-N 3.33Å; Q401-N403 PolarHBondContact O-N 3.12Å; Q401-R404 PolarHBondContact O-N 3.3Å; Q401-L405 WeakPolarHBondContact O-CD1 3.28Å; Q401-L405 WeakPolarHBondContact O-CG 3.4Å; Q401-L405 PolarHBondContact O-N 2.66Å |
| 402 | E | 36.5 | Very low | 35.5 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -70.3 | -30.9 | -176.9 | -136.8 | -159.3 | 136 | 0 | 0 | 112.6 | K406 | E402-K406 PolarHBondContact O-N 2.78Å; E402-K406 IonicContact OE1-NZ 2.77Å; E402-K406 PolarHBondContact OE1-NZ 2.87Å |
| 403 | N | 36.6 | Very low | 36.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -78.8 | -30.9 | 175.8 | -101 | -18.4 | 0 | 0 | 0 | 113.1 | Q401 K406 K407 | Q401-N403 VanDerWaalsContact C-N 3.33Å; Q401-N403 PolarHBondContact O-N 3.12Å; N403-K406 PolarHBondContact O-N 2.87Å; N403-K407 PolarHBondContact O-N 3.38Å |
| 404 | R | 36.6 | Very low | 36.9 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 79% | 0.789 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.5 | -34.5 | 170.8 | -86.1 | -176.9 | 167.6 | -169.9 | -2.6 | 112.5 | D400 Q401 K406 K407 S408 | D400-R404 PolarHBondContact O-N 3Å; Q401-R404 PolarHBondContact O-N 3.3Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.49Å; R404-K407 PolarHBondContact O-N 3.05Å; R404-S408 PolarHBondContact O-N 2.77Å |
| 405 | L | 36.3 | Very low | 38 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.7 | -29.8 | 174.8 | -80.8 | 155.8 | 0 | 0 | 0 | 112.9 | Q401 | Q401-L405 WeakPolarHBondContact O-CD1 3.28Å; Q401-L405 WeakPolarHBondContact O-CG 3.4Å; Q401-L405 PolarHBondContact O-N 2.66Å |
| 406 | K | 36.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 54% | 0.543 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -80.9 | -25.6 | 178.7 | -72.7 | 172.4 | -172.6 | 156.6 | 0 | 113.8 | E402 N403 R404 | E402-K406 PolarHBondContact O-N 2.78Å; E402-K406 IonicContact OE1-NZ 2.77Å; E402-K406 PolarHBondContact OE1-NZ 2.87Å; N403-K406 PolarHBondContact O-N 2.87Å; R404-K406 VanDerWaalsContact C-N 3.29Å; R404-K406 PolarHBondContact O-N 3.49Å |
| 407 | K | 35.4 | Very low | 40.7 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 85% | 0.848 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86.4 | -14 | 178.4 | -86.5 | -176.5 | 176.5 | 177.2 | 0 | 115.1 | N403 R404 K409 | N403-K407 PolarHBondContact O-N 3.38Å; R404-K407 PolarHBondContact O-N 3.05Å; K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 2.88Å |
| 408 | S | 36.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 70% | 0.699 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 35.4 | 173.7 | -164.9 | 0 | 0 | 0 | 0 | 113.2 | R404 G410 | R404-S408 PolarHBondContact O-N 2.77Å; S408-G410 PolarHBondContact O-N 3.03Å; S408-G410 VanDerWaalsContact O-N 3.09Å |
| 409 | K | 31 | Very low | 43.1 | Very low | 180 Ų | 180 | 120.6 Ų | 120.6 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | trans | -78.7 | 41.8 | 156.6 | -71 | -172.2 | 178 | 178.7 | 0 | 110.3 | K407 N411 | K407-K409 VanDerWaalsContact C-N 3.33Å; K407-K409 PolarHBondContact O-N 2.88Å; K409-N411 PolarHBondContact O-N 3.4Å | ||
| 410 | G | 32 | Very low | 44.3 | Very low | 47 Ų | 47 | 115.9 Ų | 115.9 | 49% | 0.485 | 57% | 0.574 | S | S | . | * | trans | -58.2 | 122.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | S408 T412 | S408-G410 PolarHBondContact O-N 3.03Å; S408-G410 VanDerWaalsContact O-N 3.09Å; G410-T412 VanDerWaalsContact C-N 3.31Å; G410-T412 PolarHBondContact O-N 3.07Å; G410-T412 PolarHBondContact O-OG1 3.45Å | ||
| 411 | N | 36.1 | Very low | 45.7 | Very low | 150 Ų | 150 | 112.5 Ų | 112.5 | 80% | 0.802 | 56% | 0.562 | S | S | * | * | trans | -40 | 89.1 | -178 | -83 | -17.6 | 0 | 0 | 0 | 111.9 | K409 V413 | K409-N411 PolarHBondContact O-N 3.4Å; N411-V413 VanDerWaalsContact C-N 3.25Å; N411-V413 PolarHBondContact O-N 3.45Å | ||
| 412 | T | 35.9 | Very low | 47.4 | Very low | 98 Ų | 98 | 111 Ų | 111 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | trans | -70.1 | 95.5 | 164.6 | -45.1 | 0 | 0 | 0 | 0 | 104.7 | G410 K414 | G410-T412 VanDerWaalsContact C-N 3.31Å; G410-T412 PolarHBondContact O-N 3.07Å; G410-T412 PolarHBondContact O-OG1 3.45Å; T412-K414 PolarHBondContact O-N 2.95Å | ||
| 413 | V | 41.7 | Very low | 49.2 | Very low | 85 Ų | 85 | 105.9 Ų | 105.9 | 52% | 0.515 | 53% | 0.531 | S | S | . | . | trans | -60 | 109.7 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 106 | N411 L415 | N411-V413 VanDerWaalsContact C-N 3.25Å; N411-V413 PolarHBondContact O-N 3.45Å; V413-L415 VanDerWaalsContact C-N 3.34Å; V413-L415 HydrophobicContact CB-CD1 4.26Å; V413-L415 HydrophobicContact CG1-CD1 3.93Å; V413-L415 PolarHBondContact O-N 3.39Å | ||
| 414 | K | 44 | Very low | 51.1 | Low | 179 Ų | 179 | 104.8 Ų | 104.8 | 78% | 0.778 | 52% | 0.522 | S | S | * | . | trans | -60.2 | 95.4 | 178.1 | -70.3 | 179.2 | 177.3 | -179.2 | 0 | 108.3 | T412 S416 | T412-K414 PolarHBondContact O-N 2.95Å; K414-S416 PolarHBondContact O-N 3.27Å; K414-S416 VanDerWaalsContact O-N 3.08Å | ||
| 415 | L | 54.3 | Low | 53.2 | Low | 13 Ų | 13 | 103.7 Ų | 103.7 | 7% | 0.068 | 52% | 0.518 | C | S | . | . | trans | -86.8 | 67.6 | -179.5 | -118.9 | 91.1 | 0 | 0 | 0 | 108.4 | G372 I374 V413 K419 V462 | G372-L415 WeakPolarHBondContact CA-O 3.5Å; G372-L415 WeakPolarHBondContact O-CB 3.49Å; I374-L415 HydrophobicContact CD1-CD1 4.3Å; I374-L415 HydrophobicContact CD1-CD2 3.76Å; I374-L415 HydrophobicContact CG1-CD2 4.39Å; V413-L415 VanDerWaalsContact C-N 3.34Å; V413-L415 HydrophobicContact CB-CD1 4.26Å; V413-L415 HydrophobicContact CG1-CD1 3.93Å; V413-L415 PolarHBondContact O-N 3.39Å; L415-K419 HydrophobicContact CD1-CD 4.29Å; L415-K419 HydrophobicContact CG-CD 4.2Å; L415-V462 HydrophobicContact CD2-CG1 4.18Å; L415-V462 HydrophobicContact CD2-CG2 3.54Å | ||
| 416 | S | 57.3 | Low | 55.2 | Low | 35 Ų | 35 | 101.7 Ų | 101.7 | 25% | 0.245 | 51% | 0.506 | C | S | . | . | trans | -63.9 | 159.4 | -177.3 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | K414 Q418 K419 M420 | K414-S416 PolarHBondContact O-N 3.27Å; K414-S416 VanDerWaalsContact O-N 3.08Å; S416-Q418 PolarHBondContact O-N 3.34Å; S416-Q418 WeakPolarHBondContact OG-CB 3.29Å; S416-Q418 PolarHBondContact OG-N 2.92Å; S416-K419 PolarHBondContact O-N 3.48Å; S416-K419 PolarHBondContact OG-N 3.43Å; S416-M420 PolarHBondContact O-N 2.94Å | ||
| 417 | K | 63.6 | Low | 57.3 | Low | 168 Ų | 168 | 96.6 Ų | 96.6 | 73% | 0.73 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -44.8 | -27.7 | 164.8 | -76.9 | -179.9 | 177.6 | 174.3 | 0 | 112.5 | A421 | K417-A421 PolarHBondContact O-N 2.93Å; K417-A421 VanDerWaalsContact O-N 3.11Å |
| 418 | Q | 65.8 | Low | 59.4 | Low | 155 Ų | 155 | 93.5 Ų | 93.5 | 72% | 0.724 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.8 | -40.8 | 177 | -50.7 | 170 | -25.7 | 0 | 0 | 112 | S416 A421 E422 | S416-Q418 PolarHBondContact O-N 3.34Å; S416-Q418 WeakPolarHBondContact OG-CB 3.29Å; S416-Q418 PolarHBondContact OG-N 2.92Å; Q418-A421 CarbonylContact O-C 3.6Å; Q418-A421 PolarHBondContact O-N 2.97Å; Q418-E422 WeakPolarHBondContact O-CB 3.33Å; Q418-E422 PolarHBondContact O-N 3.34Å |
| 419 | K | 64.3 | Low | 61.6 | Low | 65 Ų | 65 | 90.5 Ų | 90.5 | 28% | 0.283 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 177.4 | -158.1 | -177.2 | -176.5 | -162.3 | 0 | 111.5 | L415 S416 E422 I423 | L415-K419 HydrophobicContact CD1-CD 4.29Å; L415-K419 HydrophobicContact CG-CD 4.2Å; S416-K419 PolarHBondContact O-N 3.48Å; S416-K419 PolarHBondContact OG-N 3.43Å; K419-E422 WeakPolarHBondContact O-CB 3.19Å; K419-E422 PolarHBondContact O-N 3.07Å; K419-I423 HydrophobicContact CG-CD1 4.36Å; K419-I423 VanDerWaalsContact O-CG1 3.25Å; K419-I423 WeakPolarHBondContact O-CG1 3.4Å; K419-I423 PolarHBondContact O-N 3.49Å |
| 420 | M | 65.2 | Low | 63.9 | Low | 21 Ų | 21 | 82.7 Ų | 82.7 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 171.3 | -73.9 | -66.9 | -72 | 0 | 0 | 111.6 | S416 E422 I423 Q424 L459 V462 E463 | S416-M420 PolarHBondContact O-N 2.94Å; M420-E422 VanDerWaalsContact C-N 3.29Å; M420-E422 PolarHBondContact O-N 2.84Å; M420-I423 PolarHBondContact O-N 2.83Å; M420-Q424 WeakPolarHBondContact O-CB 3.32Å; M420-Q424 VanDerWaalsContact O-CG 3.32Å; M420-Q424 WeakPolarHBondContact O-CG 3.48Å; M420-Q424 PolarHBondContact O-N 3.33Å; M420-L459 HydrophobicContact CE-CD1 4.39Å; M420-L459 HydrophobicContact CE-CG 3.89Å; M420-V462 HydrophobicContact CE-CB 4.26Å; M420-V462 HydrophobicContact CE-CG1 3.97Å; M420-V462 HydrophobicContact CG-CG1 4.31Å; M420-V462 HydrophobicContact SD-CB 3.86Å; M420-V462 HydrophobicContact SD-CG1 3.46Å; M420-V462 WeakPolarHBondContact SD-CG1 3.49Å; M420-V462 HydrophobicContact SD-CG2 4.3Å; M420-E463 HydrophobicContact CE-CG 3.99Å |
| 421 | A | 73.6 | Confident | 66.1 | Low | 39 Ų | 39 | 86.6 Ų | 86.6 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K417 Q418 R425 | K417-A421 PolarHBondContact O-N 2.93Å; K417-A421 VanDerWaalsContact O-N 3.11Å; Q418-A421 CarbonylContact O-C 3.6Å; Q418-A421 PolarHBondContact O-N 2.97Å; A421-R425 WeakPolarHBondContact O-CB 3.25Å; A421-R425 VanDerWaalsContact O-CG 3.28Å; A421-R425 WeakPolarHBondContact O-CG 3.41Å; A421-R425 PolarHBondContact O-N 3.43Å |
| 422 | E | 76.3 | Confident | 68.2 | Low | 111 Ų | 111 | 86.3 Ų | 86.3 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 174.7 | -172.5 | 179.4 | -168.9 | 0 | 0 | 111.5 | Q418 K419 M420 Q424 R425 M426 | Q418-E422 WeakPolarHBondContact O-CB 3.33Å; Q418-E422 PolarHBondContact O-N 3.34Å; K419-E422 WeakPolarHBondContact O-CB 3.19Å; K419-E422 PolarHBondContact O-N 3.07Å; M420-E422 VanDerWaalsContact C-N 3.29Å; M420-E422 PolarHBondContact O-N 2.84Å; E422-Q424 VanDerWaalsContact C-N 3.3Å; E422-Q424 PolarHBondContact O-N 2.98Å; E422-R425 PolarHBondContact O-N 3.43Å; E422-M426 WeakPolarHBondContact O-CB 3.3Å; E422-M426 VanDerWaalsContact O-CG 3.31Å; E422-M426 WeakPolarHBondContact O-CG 3.41Å; E422-M426 PolarHBondContact O-N 3.31Å |
| 423 | I | 73.9 | Confident | 70.1 | Confident | 12 Ų | 12 | 86.5 Ų | 86.5 | 6% | 0.062 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 175.2 | -65.7 | 163.7 | 0 | 0 | 0 | 109.9 | K419 M420 M426 I427 K455 L459 | K419-I423 HydrophobicContact CG-CD1 4.36Å; K419-I423 VanDerWaalsContact O-CG1 3.25Å; K419-I423 WeakPolarHBondContact O-CG1 3.4Å; K419-I423 PolarHBondContact O-N 3.49Å; M420-I423 PolarHBondContact O-N 2.83Å; I423-M426 PolarHBondContact O-N 3.26Å; I423-I427 HydrophobicContact CG2-CD1 3.81Å; I423-I427 HydrophobicContact CG2-CG1 4.42Å; I423-I427 VanDerWaalsContact O-CG1 3.25Å; I423-I427 WeakPolarHBondContact O-CG1 3.47Å; I423-I427 PolarHBondContact O-N 3.06Å; I423-K455 HydrophobicContact CG2-CB 4.42Å; I423-L459 HydrophobicContact CG2-CB 4.23Å; I423-L459 HydrophobicContact CG2-CD1 3.92Å |
| 424 | Q | 77.3 | Confident | 71.5 | Confident | 88 Ų | 88 | 84.5 Ų | 84.5 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.9 | -49.2 | 174.7 | -75.7 | 177 | -18.6 | 0 | 0 | 112 | M420 E422 M426 I427 E428 L459 | M420-Q424 WeakPolarHBondContact O-CB 3.32Å; M420-Q424 VanDerWaalsContact O-CG 3.32Å; M420-Q424 WeakPolarHBondContact O-CG 3.48Å; M420-Q424 PolarHBondContact O-N 3.33Å; E422-Q424 VanDerWaalsContact C-N 3.3Å; E422-Q424 PolarHBondContact O-N 2.98Å; Q424-M426 VanDerWaalsContact C-N 3.3Å; Q424-M426 PolarHBondContact O-N 2.83Å; Q424-I427 PolarHBondContact O-N 2.98Å; Q424-E428 WeakPolarHBondContact O-CG 3.25Å; Q424-E428 PolarHBondContact O-N 2.79Å; Q424-L459 HydrophobicContact CG-CD1 3.57Å |
| 425 | R | 80.5 | Confident | 72.8 | Confident | 187 Ų | 187 | 82.6 Ų | 82.6 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 175.9 | -77.5 | 176.9 | 178.8 | 178.2 | 0.4 | 112.8 | A421 E422 E428 A429 | A421-R425 WeakPolarHBondContact O-CB 3.25Å; A421-R425 VanDerWaalsContact O-CG 3.28Å; A421-R425 WeakPolarHBondContact O-CG 3.41Å; A421-R425 PolarHBondContact O-N 3.43Å; E422-R425 PolarHBondContact O-N 3.43Å; R425-E428 PolarHBondContact O-N 2.9Å; R425-A429 WeakPolarHBondContact O-CB 3.47Å; R425-A429 PolarHBondContact O-N 3.25Å |
| 426 | M | 78.9 | Confident | 73.8 | Confident | 83 Ų | 83 | 88.1 Ų | 88.1 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 176.7 | -72.2 | -172.1 | 92 | 0 | 0 | 111.9 | E422 I423 Q424 E428 A429 D430 K455 | E422-M426 WeakPolarHBondContact O-CB 3.3Å; E422-M426 VanDerWaalsContact O-CG 3.31Å; E422-M426 WeakPolarHBondContact O-CG 3.41Å; E422-M426 PolarHBondContact O-N 3.31Å; I423-M426 PolarHBondContact O-N 3.26Å; Q424-M426 VanDerWaalsContact C-N 3.3Å; Q424-M426 PolarHBondContact O-N 2.83Å; M426-E428 VanDerWaalsContact C-N 3.33Å; M426-A429 PolarHBondContact O-N 2.92Å; M426-D430 WeakPolarHBondContact O-CB 3.47Å; M426-D430 VanDerWaalsContact O-CG 3.32Å; M426-D430 PolarHBondContact O-N 3.07Å; M426-K455 HydrophobicContact CB-CD 4.49Å |
| 427 | I | 79.7 | Confident | 74.5 | Confident | 17 Ų | 17 | 91.5 Ų | 91.5 | 9% | 0.087 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.8 | -69.4 | 164.1 | 0 | 0 | 0 | 109.9 | I423 Q424 A429 D430 R431 K455 E456 L459 | I423-I427 HydrophobicContact CG2-CD1 3.81Å; I423-I427 HydrophobicContact CG2-CG1 4.42Å; I423-I427 VanDerWaalsContact O-CG1 3.25Å; I423-I427 WeakPolarHBondContact O-CG1 3.47Å; I423-I427 PolarHBondContact O-N 3.06Å; Q424-I427 PolarHBondContact O-N 2.98Å; I427-A429 VanDerWaalsContact C-N 3.35Å; I427-A429 PolarHBondContact O-N 3.42Å; I427-D430 PolarHBondContact O-N 2.82Å; I427-R431 HydrophobicContact CG2-CG 4.48Å; I427-R431 WeakPolarHBondContact O-CB 3.3Å; I427-R431 VanDerWaalsContact O-CG 3.3Å; I427-R431 WeakPolarHBondContact O-CG 3.44Å; I427-R431 PolarHBondContact O-N 3.34Å; I427-K455 HydrophobicContact CD1-CB 4.15Å; I427-K455 HydrophobicContact CG1-CB 3.92Å; I427-K455 HydrophobicContact CG1-CD 4.33Å; I427-E456 HydrophobicContact CD1-CG 4.21Å; I427-E456 HydrophobicContact CG2-CG 4.43Å; I427-L459 HydrophobicContact CD1-CD1 3.99Å |
| 428 | E | 80.4 | Confident | 74.4 | Confident | 131 Ų | 131 | 91.8 Ų | 91.8 | 61% | 0.612 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 175.3 | -72 | 171.4 | -176 | 0 | 0 | 111.9 | Q424 R425 M426 R432 | Q424-E428 WeakPolarHBondContact O-CG 3.25Å; Q424-E428 PolarHBondContact O-N 2.79Å; R425-E428 PolarHBondContact O-N 2.9Å; M426-E428 VanDerWaalsContact C-N 3.33Å; E428-R432 WeakPolarHBondContact O-CB 3.18Å; E428-R432 PolarHBondContact O-N 2.95Å |
| 429 | A | 82 | Confident | 74.4 | Confident | 36 Ų | 36 | 92.3 Ų | 92.3 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R425 M426 I427 R432 K433 | R425-A429 WeakPolarHBondContact O-CB 3.47Å; R425-A429 PolarHBondContact O-N 3.25Å; M426-A429 PolarHBondContact O-N 2.92Å; I427-A429 VanDerWaalsContact C-N 3.35Å; I427-A429 PolarHBondContact O-N 3.42Å; A429-R432 PolarHBondContact O-N 3.21Å; A429-K433 WeakPolarHBondContact O-CG 3.34Å; A429-K433 PolarHBondContact O-N 3.24Å |
| 430 | D | 79.5 | Confident | 74.6 | Confident | 17 Ų | 17 | 90.8 Ų | 90.8 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 178 | -71 | -19.3 | 0 | 0 | 0 | 111.1 | M426 I427 L434 I448 H451 L452 K455 | M426-D430 WeakPolarHBondContact O-CB 3.47Å; M426-D430 VanDerWaalsContact O-CG 3.32Å; M426-D430 PolarHBondContact O-N 3.07Å; I427-D430 PolarHBondContact O-N 2.82Å; D430-L434 PolarHBondContact O-N 3.08Å; D430-I448 HydrophobicContact CB-CG2 4.15Å; D430-H451 IonicContact OD2-CD2 3.78Å; D430-L452 HydrophobicContact CB-CD1 4.38Å; D430-K455 IonicContact OD2-NZ 3.42Å; D430-K455 PolarHBondContact OD2-NZ 3.06Å |
| 431 | R | 78 | Confident | 75 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 170.6 | -79 | -177.8 | 175.1 | -135.3 | 0.4 | 111.7 | I427 K433 L434 E435 L452 E456 | I427-R431 HydrophobicContact CG2-CG 4.48Å; I427-R431 WeakPolarHBondContact O-CB 3.3Å; I427-R431 VanDerWaalsContact O-CG 3.3Å; I427-R431 WeakPolarHBondContact O-CG 3.44Å; I427-R431 PolarHBondContact O-N 3.34Å; R431-K433 PolarHBondContact O-N 2.77Å; R431-L434 PolarHBondContact O-N 3.06Å; R431-E435 PolarHBondContact O-N 2.95Å; R431-E435 VanDerWaalsContact O-N 3.17Å; R431-L452 HydrophobicContact CG-CD1 3.6Å; R431-E456 IonicContact CZ-OE1 3.54Å; R431-E456 IonicContact NE-OE1 3.21Å; R431-E456 IonicContact NH2-OE1 2.78Å; R431-E456 PolarHBondContact NH2-OE1 3.2Å |
| 432 | R | 79.3 | Confident | 75 | Confident | 145 Ų | 145 | 97.1 Ų | 97.1 | 55% | 0.547 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 179.7 | -166 | 179.5 | 75 | -152.7 | -0.4 | 112.3 | E428 A429 L434 E435 E436 | E428-R432 WeakPolarHBondContact O-CB 3.18Å; E428-R432 PolarHBondContact O-N 2.95Å; A429-R432 PolarHBondContact O-N 3.21Å; R432-L434 VanDerWaalsContact C-N 3.32Å; R432-L434 PolarHBondContact O-N 3.3Å; R432-E435 PolarHBondContact O-N 3.07Å; R432-E435 VanDerWaalsContact O-N 3.09Å; R432-E436 VanDerWaalsContact CD-OE1 3.29Å; R432-E436 WeakPolarHBondContact CD-OE1 3.33Å; R432-E436 HydrophobicContact CG-CG 4.14Å; R432-E436 WeakPolarHBondContact CG-OE1 3.38Å; R432-E436 IonicContact NE-OE1 3.76Å; R432-E436 PolarHBondContact NE-OE1 3.05Å; R432-E436 IonicContact NE-OE2 2.66Å; R432-E436 PolarHBondContact O-N 3.31Å |
| 433 | K | 77 | Confident | 74.9 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 175.3 | -74.1 | 178.3 | 180 | -179.9 | 0 | 112.5 | A429 R431 E435 E437 | A429-K433 WeakPolarHBondContact O-CG 3.34Å; A429-K433 PolarHBondContact O-N 3.24Å; R431-K433 PolarHBondContact O-N 2.77Å; K433-E435 VanDerWaalsContact C-N 3.27Å; K433-E435 PolarHBondContact O-N 2.86Å; K433-E437 WeakPolarHBondContact O-CB 3.48Å; K433-E437 PolarHBondContact O-N 2.89Å; K433-E437 VanDerWaalsContact O-N 3.12Å |
| 434 | L | 70 | Confident | 75 | Confident | 44 Ų | 44 | 102.5 Ų | 102.5 | 23% | 0.23 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 176.3 | -79 | 165.6 | 0 | 0 | 0 | 113.3 | D430 R431 R432 M440 R445 I448 L452 | D430-L434 PolarHBondContact O-N 3.08Å; R431-L434 PolarHBondContact O-N 3.06Å; R432-L434 VanDerWaalsContact C-N 3.32Å; R432-L434 PolarHBondContact O-N 3.3Å; L434-M440 HydrophobicContact CD2-CE 4.43Å; L434-R445 HydrophobicContact CD2-CB 4.45Å; L434-R445 HydrophobicContact CD2-CG 3.71Å; L434-I448 HydrophobicContact CD1-CB 4.45Å; L434-I448 HydrophobicContact CD1-CG2 3.76Å; L434-I448 HydrophobicContact CD2-CB 4.26Å; L434-I448 HydrophobicContact CD2-CG2 4.27Å; L434-I448 HydrophobicContact CG-CB 4.32Å; L434-I448 HydrophobicContact CG-CG2 3.77Å; L434-L452 HydrophobicContact CD1-CD1 3.99Å |
| 435 | E | 71.9 | Confident | 74.9 | Confident | 138 Ų | 138 | 104.9 Ų | 104.9 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -84.5 | -40.1 | 178.7 | -73.2 | 176.5 | -177.2 | 0 | 0 | 113.3 | R431 R432 K433 | R431-E435 PolarHBondContact O-N 2.95Å; R431-E435 VanDerWaalsContact O-N 3.17Å; R432-E435 PolarHBondContact O-N 3.07Å; R432-E435 VanDerWaalsContact O-N 3.09Å; K433-E435 VanDerWaalsContact C-N 3.27Å; K433-E435 PolarHBondContact O-N 2.86Å |
| 436 | E | 75.6 | Confident | 74.9 | Confident | 130 Ų | 130 | 99.8 Ų | 99.8 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -73.7 | -43.8 | -178.7 | -72.9 | 173.7 | 172.8 | 0 | 0 | 111.9 | R432 K438 | R432-E436 VanDerWaalsContact CD-OE1 3.29Å; R432-E436 WeakPolarHBondContact CD-OE1 3.33Å; R432-E436 HydrophobicContact CG-CG 4.14Å; R432-E436 WeakPolarHBondContact CG-OE1 3.38Å; R432-E436 IonicContact NE-OE1 3.76Å; R432-E436 PolarHBondContact NE-OE1 3.05Å; R432-E436 IonicContact NE-OE2 2.66Å; R432-E436 PolarHBondContact O-N 3.31Å; E436-K438 PolarHBondContact O-N 2.74Å |
| 437 | E | 72.3 | Confident | 75 | Confident | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | trans | -94.4 | 70.4 | -176.5 | -62.8 | 177.1 | 168.8 | 0 | 0 | 111.4 | K433 D439 M440 | K433-E437 WeakPolarHBondContact O-CB 3.48Å; K433-E437 PolarHBondContact O-N 2.89Å; K433-E437 VanDerWaalsContact O-N 3.12Å; E437-D439 PolarHBondContact O-N 3.01Å; E437-M440 HydrophobicContact CB-CE 3.62Å; E437-M440 HydrophobicContact CB-CG 3.92Å; E437-M440 HydrophobicContact CB-SD 4.47Å; E437-M440 PolarHBondContact O-N 3.14Å; E437-M440 VanDerWaalsContact OE2-CE 3.32Å; E437-M440 WeakPolarHBondContact OE2-CE 3.3Å; E437-M440 VanDerWaalsContact OE2-SD 3.4Å | ||
| 438 | K | 61.9 | Low | 74.9 | Confident | 175 Ų | 175 | 104.6 Ų | 104.6 | 76% | 0.761 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.1 | 178.2 | -68.6 | -176.5 | -179.5 | 176 | 0 | 113.7 | E436 | E436-K438 PolarHBondContact O-N 2.74Š|
| 439 | D | 65.4 | Low | 74.9 | Confident | 166 Ų | 166 | 103.3 Ų | 103.3 | 89% | 0.888 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 18.1 | -174.9 | -59.7 | -24.9 | 0 | 0 | 0 | 113.4 | E437 | E437-D439 PolarHBondContact O-N 3.01Š|
| 440 | M | 67.8 | Low | 74.9 | Confident | 33 Ų | 33 | 108.7 Ų | 108.7 | 16% | 0.163 | 50% | 0.5 | C | S | . | . | trans | -63.8 | 150.7 | 175.4 | -107.3 | -165.1 | -75.4 | 0 | 0 | 112.6 | L434 E437 E444 I448 | L434-M440 HydrophobicContact CD2-CE 4.43Å; E437-M440 HydrophobicContact CB-CE 3.62Å; E437-M440 HydrophobicContact CB-CG 3.92Å; E437-M440 HydrophobicContact CB-SD 4.47Å; E437-M440 PolarHBondContact O-N 3.14Å; E437-M440 VanDerWaalsContact OE2-CE 3.32Å; E437-M440 WeakPolarHBondContact OE2-CE 3.3Å; E437-M440 VanDerWaalsContact OE2-SD 3.4Å; M440-E444 HydrophobicContact SD-CB 3.94Å; M440-I448 HydrophobicContact CE-CD1 3.83Å; M440-I448 HydrophobicContact SD-CD1 3.76Å | ||
| 441 | A | 74.5 | Confident | 75.2 | Confident | 58 Ų | 58 | 112.5 Ų | 112.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | trans | -59.8 | 138.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E443 E444 R445 | A441-E443 PolarHBondContact O-N 2.88Å; A441-E444 PolarHBondContact O-N 3.5Å; A441-R445 PolarHBondContact O-N 3.26Å; A441-R445 VanDerWaalsContact O-N 3.16Å | ||
| 442 | I | 72.6 | Confident | 75.2 | Confident | 134 Ų | 134 | 107.3 Ų | 107.3 | 69% | 0.687 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -52.7 | -35.7 | -177.2 | -63.6 | 171.2 | 0 | 0 | 0 | 111.6 | N446 | I442-N446 WeakPolarHBondContact O-CB 3.4Å; I442-N446 PolarHBondContact O-N 2.69Å; I442-N446 VanDerWaalsContact O-N 3.07Å; I442-N446 PolarHBondContact O-ND2 3.46Å |
| 443 | E | 74 | Confident | 75.4 | Confident | 134 Ų | 134 | 105.6 Ų | 105.6 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -42.7 | 178 | -65.1 | -173 | -173.5 | 0 | 0 | 113.5 | A441 N446 R447 | A441-E443 PolarHBondContact O-N 2.88Å; E443-N446 PolarHBondContact O-N 3.26Å; E443-R447 VanDerWaalsContact O-CG 3.31Å; E443-R447 WeakPolarHBondContact O-CG 3.22Å; E443-R447 PolarHBondContact O-N 3.24Å; E443-R447 IonicContact OE2-NH2 3.12Å |
| 444 | E | 76.3 | Confident | 75.7 | Confident | 103 Ų | 103 | 105 Ų | 105 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 179.5 | -70.6 | -173.8 | 147.5 | 0 | 0 | 110.9 | M440 A441 N446 R447 I448 | M440-E444 HydrophobicContact SD-CB 3.94Å; A441-E444 PolarHBondContact O-N 3.5Å; E444-N446 VanDerWaalsContact C-N 3.31Å; E444-N446 PolarHBondContact O-N 2.92Å; E444-R447 WeakPolarHBondContact O-CB 3.28Å; E444-R447 PolarHBondContact O-N 3.3Å; E444-R447 VanDerWaalsContact O-N 3.1Å; E444-I448 WeakPolarHBondContact O-CG1 3.46Å; E444-I448 PolarHBondContact O-N 2.98Å |
| 445 | R | 75 | Confident | 76.2 | Confident | 137 Ų | 137 | 103.8 Ų | 103.8 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -54.2 | -47.1 | 172.6 | -175.3 | -179.8 | 175 | 152.2 | 1.3 | 111.7 | L434 A441 R447 I448 Q449 | L434-R445 HydrophobicContact CD2-CB 4.45Å; L434-R445 HydrophobicContact CD2-CG 3.71Å; A441-R445 PolarHBondContact O-N 3.26Å; A441-R445 VanDerWaalsContact O-N 3.16Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 2.94Å; R445-I448 PolarHBondContact O-N 3.32Å; R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 2.79Å |
| 446 | N | 79.8 | Confident | 76.7 | Confident | 81 Ų | 81 | 99 Ų | 99 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 178.3 | -75 | -21 | 0 | 0 | 0 | 112.8 | I442 E443 E444 K450 | I442-N446 WeakPolarHBondContact O-CB 3.4Å; I442-N446 PolarHBondContact O-N 2.69Å; I442-N446 VanDerWaalsContact O-N 3.07Å; I442-N446 PolarHBondContact O-ND2 3.46Å; E443-N446 PolarHBondContact O-N 3.26Å; E444-N446 VanDerWaalsContact C-N 3.31Å; E444-N446 PolarHBondContact O-N 2.92Å; N446-K450 PolarHBondContact O-N 3.15Å; N446-K450 VanDerWaalsContact O-N 3.16Å |
| 447 | R | 82.1 | Confident | 77.1 | Confident | 168 Ų | 168 | 95.9 Ų | 95.9 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.1 | -46.7 | 176.6 | -72.3 | 173 | -168.8 | -176 | 7.3 | 111.6 | E443 E444 R445 Q449 K450 H451 | E443-R447 VanDerWaalsContact O-CG 3.31Å; E443-R447 WeakPolarHBondContact O-CG 3.22Å; E443-R447 PolarHBondContact O-N 3.24Å; E443-R447 IonicContact OE2-NH2 3.12Å; E444-R447 WeakPolarHBondContact O-CB 3.28Å; E444-R447 PolarHBondContact O-N 3.3Å; E444-R447 VanDerWaalsContact O-N 3.1Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 2.94Å; R447-Q449 VanDerWaalsContact C-N 3.34Å; R447-K450 PolarHBondContact O-N 3.15Å; R447-H451 PolarHBondContact O-N 3.38Å; R447-H451 VanDerWaalsContact O-N 3.11Å |
| 448 | I | 78.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 94.6 Ų | 94.6 | 17% | 0.169 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 178.7 | -61.1 | 169 | 0 | 0 | 0 | 110.1 | D430 L434 M440 E444 R445 K450 H451 L452 | D430-I448 HydrophobicContact CB-CG2 4.15Å; L434-I448 HydrophobicContact CD1-CB 4.45Å; L434-I448 HydrophobicContact CD1-CG2 3.76Å; L434-I448 HydrophobicContact CD2-CB 4.26Å; L434-I448 HydrophobicContact CD2-CG2 4.27Å; L434-I448 HydrophobicContact CG-CB 4.32Å; L434-I448 HydrophobicContact CG-CG2 3.77Å; M440-I448 HydrophobicContact CE-CD1 3.83Å; M440-I448 HydrophobicContact SD-CD1 3.76Å; E444-I448 WeakPolarHBondContact O-CG1 3.46Å; E444-I448 PolarHBondContact O-N 2.98Å; R445-I448 PolarHBondContact O-N 3.32Å; I448-K450 PolarHBondContact O-N 2.77Å; I448-H451 PolarHBondContact O-N 2.89Å; I448-L452 WeakPolarHBondContact O-CB 3.31Å; I448-L452 PolarHBondContact O-N 2.82Å |
| 449 | Q | 80 | Confident | 78.3 | Confident | 104 Ų | 104 | 87.1 Ų | 87.1 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 178.3 | -173.3 | 173 | -4.8 | 0 | 0 | 112.8 | R445 R447 H451 L452 E453 | R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 2.79Å; R447-Q449 VanDerWaalsContact C-N 3.34Å; Q449-H451 VanDerWaalsContact C-N 3.34Å; Q449-H451 PolarHBondContact O-N 3.11Å; Q449-L452 PolarHBondContact O-N 2.79Å; Q449-E453 WeakPolarHBondContact O-CB 2.99Å; Q449-E453 PolarHBondContact O-N 2.88Å |
| 450 | K | 82.7 | Confident | 79 | Confident | 149 Ų | 149 | 85.6 Ų | 85.6 | 65% | 0.648 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 174.9 | -78.6 | -176.2 | 177.8 | -178.2 | 0 | 112.8 | N446 R447 I448 E453 T454 | N446-K450 PolarHBondContact O-N 3.15Å; N446-K450 VanDerWaalsContact O-N 3.16Å; R447-K450 PolarHBondContact O-N 3.15Å; I448-K450 PolarHBondContact O-N 2.77Å; K450-E453 PolarHBondContact O-N 3.01Å; K450-T454 PolarHBondContact O-N 3.31Å; K450-T454 PolarHBondContact O-OG1 3.49Å |
| 451 | H | 83.8 | Confident | 79.6 | Confident | 96 Ų | 96 | 90.7 Ų | 90.7 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 178.7 | -169.1 | 52.7 | 0 | 0 | 0 | 111.5 | D430 R447 I448 Q449 T454 K455 | D430-H451 IonicContact OD2-CD2 3.78Å; R447-H451 PolarHBondContact O-N 3.38Å; R447-H451 VanDerWaalsContact O-N 3.11Å; I448-H451 PolarHBondContact O-N 2.89Å; Q449-H451 VanDerWaalsContact C-N 3.34Å; Q449-H451 PolarHBondContact O-N 3.11Å; H451-T454 PolarHBondContact O-N 2.89Å; H451-K455 PolarHBondContact CD2-NZ 3.01Å; H451-K455 WeakPolarHBondContact NE2-CE 3.04Å; H451-K455 PolarHBondContact NE2-NZ 3.44Å; H451-K455 WeakPolarHBondContact O-CG 3.47Å; H451-K455 PolarHBondContact O-N 3.42Å |
| 452 | L | 79.9 | Confident | 79.8 | Confident | 19 Ų | 19 | 88.7 Ų | 88.7 | 10% | 0.099 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 174.6 | -170.7 | 163.6 | 0 | 0 | 0 | 110.9 | D430 R431 L434 I448 Q449 T454 K455 E456 | D430-L452 HydrophobicContact CB-CD1 4.38Å; R431-L452 HydrophobicContact CG-CD1 3.6Å; L434-L452 HydrophobicContact CD1-CD1 3.99Å; I448-L452 WeakPolarHBondContact O-CB 3.31Å; I448-L452 PolarHBondContact O-N 2.82Å; Q449-L452 PolarHBondContact O-N 2.79Å; L452-T454 VanDerWaalsContact C-N 3.33Å; L452-T454 PolarHBondContact O-N 3.03Å; L452-K455 PolarHBondContact O-N 3.2Å; L452-E456 VanDerWaalsContact CD2-CD 3.43Å; L452-E456 HydrophobicContact CD2-CG 3.91Å; L452-E456 WeakPolarHBondContact CD2-OE1 3.38Å; L452-E456 WeakPolarHBondContact O-CB 3.35Å; L452-E456 WeakPolarHBondContact O-CG 3.44Å; L452-E456 PolarHBondContact O-N 2.9Å |
| 453 | E | 82.8 | Confident | 80.1 | Confident | 110 Ų | 110 | 86 Ų | 86 | 51% | 0.514 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.8 | -174.4 | 177.2 | -167.8 | 0 | 0 | 112.5 | Q449 K450 E456 N457 | Q449-E453 WeakPolarHBondContact O-CB 2.99Å; Q449-E453 PolarHBondContact O-N 2.88Å; K450-E453 PolarHBondContact O-N 3.01Å; E453-E456 PolarHBondContact O-N 3.41Å; E453-N457 WeakPolarHBondContact O-CB 3.32Å; E453-N457 VanDerWaalsContact O-CG 3.28Å; E453-N457 PolarHBondContact O-N 2.78Å; E453-N457 PolarHBondContact O-ND2 3.34Å |
| 454 | T | 83.8 | Confident | 80.5 | Confident | 89 Ų | 89 | 83.6 Ų | 83.6 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 177.3 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | K450 H451 L452 N457 E458 | K450-T454 PolarHBondContact O-N 3.31Å; K450-T454 PolarHBondContact O-OG1 3.49Å; H451-T454 PolarHBondContact O-N 2.89Å; L452-T454 VanDerWaalsContact C-N 3.33Å; L452-T454 PolarHBondContact O-N 3.03Å; T454-N457 PolarHBondContact O-N 2.96Å; T454-E458 PolarHBondContact O-N 3.4Å |
| 455 | K | 79.5 | Confident | 80.6 | Confident | 17 Ų | 17 | 81.2 Ų | 81.2 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.1 | -75.3 | 175.4 | 177.3 | 163.2 | 0 | 112.5 | I423 M426 I427 D430 H451 L452 N457 E458 L459 | I423-K455 HydrophobicContact CG2-CB 4.42Å; M426-K455 HydrophobicContact CB-CD 4.49Å; I427-K455 HydrophobicContact CD1-CB 4.15Å; I427-K455 HydrophobicContact CG1-CB 3.92Å; I427-K455 HydrophobicContact CG1-CD 4.33Å; D430-K455 IonicContact OD2-NZ 3.42Å; D430-K455 PolarHBondContact OD2-NZ 3.06Å; H451-K455 PolarHBondContact CD2-NZ 3.01Å; H451-K455 WeakPolarHBondContact NE2-CE 3.04Å; H451-K455 PolarHBondContact NE2-NZ 3.44Å; H451-K455 WeakPolarHBondContact O-CG 3.47Å; H451-K455 PolarHBondContact O-N 3.42Å; L452-K455 PolarHBondContact O-N 3.2Å; K455-N457 VanDerWaalsContact C-N 3.29Å; K455-N457 PolarHBondContact O-N 3.11Å; K455-E458 PolarHBondContact O-N 3.03Å; K455-L459 WeakPolarHBondContact O-CB 3.41Å; K455-L459 PolarHBondContact O-N 3.46Å |
| 456 | E | 82.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 18% | 0.178 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 174.8 | -77.6 | -172.1 | 173 | 0 | 0 | 111.1 | I427 R431 L452 E453 R460 | I427-E456 HydrophobicContact CD1-CG 4.21Å; I427-E456 HydrophobicContact CG2-CG 4.43Å; R431-E456 IonicContact CZ-OE1 3.54Å; R431-E456 IonicContact NE-OE1 3.21Å; R431-E456 IonicContact NH2-OE1 2.78Å; R431-E456 PolarHBondContact NH2-OE1 3.2Å; L452-E456 VanDerWaalsContact CD2-CD 3.43Å; L452-E456 HydrophobicContact CD2-CG 3.91Å; L452-E456 WeakPolarHBondContact CD2-OE1 3.38Å; L452-E456 WeakPolarHBondContact O-CB 3.35Å; L452-E456 WeakPolarHBondContact O-CG 3.44Å; L452-E456 PolarHBondContact O-N 2.9Å; E453-E456 PolarHBondContact O-N 3.41Å; E456-R460 WeakPolarHBondContact O-CB 3.33Å; E456-R460 VanDerWaalsContact O-CG 3.3Å; E456-R460 WeakPolarHBondContact O-CG 3.5Å; E456-R460 PolarHBondContact O-N 3.01Å; E456-R460 IonicContact OE2-NH2 3.61Å |
| 457 | N | 83.5 | Confident | 80.9 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 175.8 | -73.2 | -26.2 | 0 | 0 | 0 | 112.7 | E453 T454 K455 R460 Q461 | E453-N457 WeakPolarHBondContact O-CB 3.32Å; E453-N457 VanDerWaalsContact O-CG 3.28Å; E453-N457 PolarHBondContact O-N 2.78Å; E453-N457 PolarHBondContact O-ND2 3.34Å; T454-N457 PolarHBondContact O-N 2.96Å; K455-N457 VanDerWaalsContact C-N 3.29Å; K455-N457 PolarHBondContact O-N 3.11Å; N457-R460 PolarHBondContact O-N 3.12Å; N457-R460 PolarHBondContact OD1-NH1 2.77Å; N457-R460 VanDerWaalsContact OD1-NH1 3.11Å; N457-Q461 WeakPolarHBondContact O-CG 3.19Å; N457-Q461 PolarHBondContact O-N 2.81Å |
| 458 | E | 80.9 | Confident | 80.9 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 173.8 | -172.8 | 179.5 | 177.1 | 0 | 0 | 110.8 | T454 K455 R460 Q461 V462 | T454-E458 PolarHBondContact O-N 3.4Å; K455-E458 PolarHBondContact O-N 3.03Å; E458-R460 PolarHBondContact O-N 3.38Å; E458-Q461 PolarHBondContact O-N 2.9Å; E458-V462 WeakPolarHBondContact O-CG2 3.39Å; E458-V462 PolarHBondContact O-N 3.33Å; E458-V462 VanDerWaalsContact O-N 3.09Å |
| 459 | L | 78.8 | Confident | 80.9 | Confident | 18 Ų | 18 | 79.3 Ų | 79.3 | 9% | 0.094 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61 | -44.3 | 177.4 | -172.7 | 146.1 | 0 | 0 | 0 | 111.6 | M420 I423 Q424 I427 K455 Q461 V462 E463 | M420-L459 HydrophobicContact CE-CD1 4.39Å; M420-L459 HydrophobicContact CE-CG 3.89Å; I423-L459 HydrophobicContact CG2-CB 4.23Å; I423-L459 HydrophobicContact CG2-CD1 3.92Å; Q424-L459 HydrophobicContact CG-CD1 3.57Å; I427-L459 HydrophobicContact CD1-CD1 3.99Å; K455-L459 WeakPolarHBondContact O-CB 3.41Å; K455-L459 PolarHBondContact O-N 3.46Å; L459-Q461 PolarHBondContact O-N 3.02Å; L459-V462 PolarHBondContact O-N 2.99Å; L459-E463 VanDerWaalsContact CD2-CD 3.43Å; L459-E463 HydrophobicContact CD2-CG 4.16Å; L459-E463 WeakPolarHBondContact CD2-OE1 3.34Å; L459-E463 WeakPolarHBondContact O-CG 3.33Å; L459-E463 PolarHBondContact O-N 2.93Å |
| 460 | R | 80.4 | Confident | 80.9 | Confident | 135 Ų | 135 | 76.5 Ų | 76.5 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175 | -77.9 | 176.7 | -169.7 | 146.1 | 5.3 | 112.4 | E456 N457 E458 V462 E463 V464 | E456-R460 WeakPolarHBondContact O-CB 3.33Å; E456-R460 VanDerWaalsContact O-CG 3.3Å; E456-R460 WeakPolarHBondContact O-CG 3.5Å; E456-R460 PolarHBondContact O-N 3.01Å; E456-R460 IonicContact OE2-NH2 3.61Å; N457-R460 PolarHBondContact O-N 3.12Å; N457-R460 PolarHBondContact OD1-NH1 2.77Å; N457-R460 VanDerWaalsContact OD1-NH1 3.11Å; E458-R460 PolarHBondContact O-N 3.38Å; R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 3.43Å; R460-E463 PolarHBondContact O-N 3.29Å; R460-V464 VanDerWaalsContact O-CG2 3.31Å; R460-V464 WeakPolarHBondContact O-CG2 3.3Å; R460-V464 PolarHBondContact O-N 3.48Å |
| 461 | Q | 80.7 | Confident | 81 | Confident | 139 Ų | 139 | 74.1 Ų | 74.1 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 179.4 | -74.5 | -173.8 | 13.4 | 0 | 0 | 112.1 | N457 E458 L459 V464 T465 | N457-Q461 WeakPolarHBondContact O-CG 3.19Å; N457-Q461 PolarHBondContact O-N 2.81Å; E458-Q461 PolarHBondContact O-N 2.9Å; L459-Q461 PolarHBondContact O-N 3.02Å; Q461-V464 PolarHBondContact O-N 2.81Å; Q461-T465 WeakPolarHBondContact O-CB 3.21Å; Q461-T465 PolarHBondContact O-N 3.24Å; Q461-T465 PolarHBondContact O-OG1 2.95Å |
| 462 | V | 78.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 76.5 Ų | 76.5 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | I374 L415 M420 E458 L459 R460 T465 R466 | I374-V462 HydrophobicContact CD1-CG2 4.09Å; L415-V462 HydrophobicContact CD2-CG1 4.18Å; L415-V462 HydrophobicContact CD2-CG2 3.54Å; M420-V462 HydrophobicContact CE-CB 4.26Å; M420-V462 HydrophobicContact CE-CG1 3.97Å; M420-V462 HydrophobicContact CG-CG1 4.31Å; M420-V462 HydrophobicContact SD-CB 3.86Å; M420-V462 HydrophobicContact SD-CG1 3.46Å; M420-V462 WeakPolarHBondContact SD-CG1 3.49Å; M420-V462 HydrophobicContact SD-CG2 4.3Å; E458-V462 WeakPolarHBondContact O-CG2 3.39Å; E458-V462 PolarHBondContact O-N 3.33Å; E458-V462 VanDerWaalsContact O-N 3.09Å; L459-V462 PolarHBondContact O-N 2.99Å; R460-V462 VanDerWaalsContact C-N 3.34Å; R460-V462 PolarHBondContact O-N 3.43Å; V462-T465 PolarHBondContact O-N 3.35Å; V462-R466 VanDerWaalsContact O-CB 3.3Å; V462-R466 WeakPolarHBondContact O-CB 3.4Å; V462-R466 PolarHBondContact O-N 2.89Å |
| 463 | E | 78.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 178.2 | -74.9 | -178.2 | 160 | 0 | 0 | 112.6 | M420 L459 R460 R466 Y467 | M420-E463 HydrophobicContact CE-CG 3.99Å; L459-E463 VanDerWaalsContact CD2-CD 3.43Å; L459-E463 HydrophobicContact CD2-CG 4.16Å; L459-E463 WeakPolarHBondContact CD2-OE1 3.34Å; L459-E463 WeakPolarHBondContact O-CG 3.33Å; L459-E463 PolarHBondContact O-N 2.93Å; R460-E463 PolarHBondContact O-N 3.29Å; E463-R466 PolarHBondContact O-N 2.79Å; E463-Y467 WeakPolarHBondContact O-CB 3.5Å; E463-Y467 PolarHBondContact O-N 3.48Å |
| 464 | V | 83 | Confident | 80.5 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | R460 Q461 Y467 N468 | R460-V464 VanDerWaalsContact O-CG2 3.31Å; R460-V464 WeakPolarHBondContact O-CG2 3.3Å; R460-V464 PolarHBondContact O-N 3.48Å; Q461-V464 PolarHBondContact O-N 2.81Å; V464-Y467 WeakPolarHBondContact O-CB 3.36Å; V464-Y467 PolarHBondContact O-N 2.71Å; V464-N468 WeakPolarHBondContact O-CB 3.49Å; V464-N468 VanDerWaalsContact O-CG 3.26Å; V464-N468 PolarHBondContact O-N 2.95Å; V464-N468 PolarHBondContact O-ND2 3.33Å |
| 465 | T | 79.5 | Confident | 80.3 | Confident | 53 Ų | 53 | 74.5 Ų | 74.5 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 111 | Q461 V462 Y467 N468 L469 | Q461-T465 WeakPolarHBondContact O-CB 3.21Å; Q461-T465 PolarHBondContact O-N 3.24Å; Q461-T465 PolarHBondContact O-OG1 2.95Å; V462-T465 PolarHBondContact O-N 3.35Å; T465-Y467 VanDerWaalsContact C-N 3.34Å; T465-Y467 PolarHBondContact O-N 3.26Å; T465-N468 PolarHBondContact O-N 3.16Å; T465-L469 HydrophobicContact CG2-CD1 3.92Å; T465-L469 WeakPolarHBondContact O-CB 3.48Å; T465-L469 WeakPolarHBondContact O-CD1 3.23Å; T465-L469 WeakPolarHBondContact O-CG 3.43Å; T465-L469 PolarHBondContact O-N 3.3Å |
| 466 | R | 78.4 | Confident | 80.2 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.3 | -165.2 | -178.1 | 72.6 | 172.7 | 0.3 | 111.2 | L369 V462 E463 N468 L469 T470 | L369-R466 HydrophobicContact CD2-CG 3.64Å; V462-R466 VanDerWaalsContact O-CB 3.3Å; V462-R466 WeakPolarHBondContact O-CB 3.4Å; V462-R466 PolarHBondContact O-N 2.89Å; E463-R466 PolarHBondContact O-N 2.79Å; R466-N468 PolarHBondContact O-N 2.99Å; R466-L469 PolarHBondContact O-N 2.81Å; R466-T470 WeakPolarHBondContact O-CB 3.16Å; R466-T470 PolarHBondContact O-N 3.42Å; R466-T470 PolarHBondContact O-OG1 3.13Å |
| 467 | Y | 80.8 | Confident | 79.8 | Confident | 133 Ų | 133 | 75.6 Ų | 75.6 | 52% | 0.522 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.5 | 178.2 | -106.4 | 0 | 0 | 0 | 112.2 | E463 V464 T465 T470 K471 | E463-Y467 WeakPolarHBondContact O-CB 3.5Å; E463-Y467 PolarHBondContact O-N 3.48Å; V464-Y467 WeakPolarHBondContact O-CB 3.36Å; V464-Y467 PolarHBondContact O-N 2.71Å; T465-Y467 VanDerWaalsContact C-N 3.34Å; T465-Y467 PolarHBondContact O-N 3.26Å; Y467-T470 PolarHBondContact O-N 2.99Å; Y467-K471 HydrophobicContact CD1-CD 4.23Å; Y467-K471 HydrophobicContact CE1-CD 3.72Å; Y467-K471 HydrophobicContact CE1-CG 4.49Å; Y467-K471 VanDerWaalsContact CZ-NZ 3.3Å; Y467-K471 WeakPolarHBondContact O-CB 3.14Å; Y467-K471 PolarHBondContact O-N 2.88Å; Y467-K471 WeakPolarHBondContact OH-CE 3.38Å; Y467-K471 PolarHBondContact OH-NZ 2.94Å |
| 468 | N | 83.9 | Confident | 79.5 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 176.5 | -70.3 | -27.9 | 0 | 0 | 0 | 112.4 | V464 T465 R466 K471 R472 | V464-N468 WeakPolarHBondContact O-CB 3.49Å; V464-N468 VanDerWaalsContact O-CG 3.26Å; V464-N468 PolarHBondContact O-N 2.95Å; V464-N468 PolarHBondContact O-ND2 3.33Å; T465-N468 PolarHBondContact O-N 3.16Å; R466-N468 PolarHBondContact O-N 2.99Å; N468-K471 PolarHBondContact O-N 3.1Å; N468-R472 WeakPolarHBondContact O-CB 3.34Å; N468-R472 PolarHBondContact O-N 3.23Å |
| 469 | L | 77.7 | Confident | 79.4 | Confident | 29 Ų | 29 | 77.6 Ų | 77.6 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.1 | -80.7 | 155 | 0 | 0 | 0 | 111.5 | L365 Q368 L369 T465 R466 R472 M473 | L365-L469 HydrophobicContact CD2-CD2 3.51Å; Q368-L469 HydrophobicContact CB-CD2 4.48Å; L369-L469 HydrophobicContact CD2-CB 3.58Å; L369-L469 HydrophobicContact CD2-CD1 4.28Å; L369-L469 HydrophobicContact CG-CB 4.25Å; T465-L469 HydrophobicContact CG2-CD1 3.92Å; T465-L469 WeakPolarHBondContact O-CB 3.48Å; T465-L469 WeakPolarHBondContact O-CD1 3.23Å; T465-L469 WeakPolarHBondContact O-CG 3.43Å; T465-L469 PolarHBondContact O-N 3.3Å; R466-L469 PolarHBondContact O-N 2.81Å; L469-R472 PolarHBondContact O-N 2.96Å; L469-M473 WeakPolarHBondContact O-CB 3.37Å; L469-M473 PolarHBondContact O-N 2.78Å |
| 470 | T | 80.5 | Confident | 79.4 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 28% | 0.276 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 111 | R466 Y467 R472 M473 E474 | R466-T470 WeakPolarHBondContact O-CB 3.16Å; R466-T470 PolarHBondContact O-N 3.42Å; R466-T470 PolarHBondContact O-OG1 3.13Å; Y467-T470 PolarHBondContact O-N 2.99Å; T470-R472 VanDerWaalsContact C-N 3.33Å; T470-R472 PolarHBondContact O-N 3.02Å; T470-M473 WeakPolarHBondContact O-CB 3.41Å; T470-M473 PolarHBondContact O-N 3.03Å; T470-M473 VanDerWaalsContact O-N 3.16Å; T470-E474 HydrophobicContact CG2-CG 4.39Å; T470-E474 WeakPolarHBondContact O-CG 3.43Å; T470-E474 PolarHBondContact O-N 2.86Å |
| 471 | K | 83.4 | Confident | 79.1 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 174.7 | -85.3 | -172.7 | 163.9 | 175.1 | 0 | 113.1 | Y467 N468 M473 E474 A475 | Y467-K471 HydrophobicContact CD1-CD 4.23Å; Y467-K471 HydrophobicContact CE1-CD 3.72Å; Y467-K471 HydrophobicContact CE1-CG 4.49Å; Y467-K471 VanDerWaalsContact CZ-NZ 3.3Å; Y467-K471 WeakPolarHBondContact O-CB 3.14Å; Y467-K471 PolarHBondContact O-N 2.88Å; Y467-K471 WeakPolarHBondContact OH-CE 3.38Å; Y467-K471 PolarHBondContact OH-NZ 2.94Å; N468-K471 PolarHBondContact O-N 3.1Å; K471-M473 VanDerWaalsContact C-N 3.33Å; K471-E474 PolarHBondContact O-N 3.5Å; K471-A475 WeakPolarHBondContact O-CB 3.44Å; K471-A475 PolarHBondContact O-N 2.94Å |
| 472 | R | 79.9 | Confident | 78.6 | Confident | 147 Ų | 147 | 67.3 Ų | 67.3 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 177.5 | -175 | 174.3 | 176.4 | 155.2 | -1.5 | 111.2 | E361 L365 N468 L469 T470 A475 L476 | E361-R472 IonicContact OE1-CZ 2.73Å; E361-R472 IonicContact OE1-NE 3.64Å; E361-R472 PolarHBondContact OE1-NE 3.17Å; E361-R472 IonicContact OE1-NH2 3.82Å; E361-R472 PolarHBondContact OE1-NH2 3.1Å; L365-R472 HydrophobicContact CD1-CG 4.19Å; N468-R472 WeakPolarHBondContact O-CB 3.34Å; N468-R472 PolarHBondContact O-N 3.23Å; L469-R472 PolarHBondContact O-N 2.96Å; T470-R472 VanDerWaalsContact C-N 3.33Å; T470-R472 PolarHBondContact O-N 3.02Å; R472-A475 PolarHBondContact O-N 3.37Å; R472-L476 WeakPolarHBondContact O-CG 3.26Å; R472-L476 PolarHBondContact O-N 2.97Å |
| 473 | M | 77.1 | Confident | 77.7 | Confident | 17 Ų | 17 | 66.6 Ų | 66.6 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.2 | -176.3 | -172.9 | -58.6 | 0 | 0 | 111.9 | L365 R366 L369 L469 T470 K471 A475 L476 Q477 | L365-M473 VanDerWaalsContact C-CE 3.4Å; L365-M473 HydrophobicContact CB-CE 3.76Å; L365-M473 HydrophobicContact CD1-CB 4.42Å; R366-M473 VanDerWaalsContact CA-CE 3.48Å; R366-M473 HydrophobicContact CB-CE 4.08Å; R366-M473 HydrophobicContact CG-CE 3.44Å; R366-M473 VanDerWaalsContact CG-CE 3.44Å; R366-M473 HydrophobicContact CG-SD 3.66Å; R366-M473 VanDerWaalsContact N-CE 3.27Å; L369-M473 HydrophobicContact CD1-CE 3.31Å; L369-M473 HydrophobicContact CD1-SD 4.24Å; L369-M473 HydrophobicContact CG-CE 4.07Å; L469-M473 WeakPolarHBondContact O-CB 3.37Å; L469-M473 PolarHBondContact O-N 2.78Å; T470-M473 WeakPolarHBondContact O-CB 3.41Å; T470-M473 PolarHBondContact O-N 3.03Å; T470-M473 VanDerWaalsContact O-N 3.16Å; K471-M473 VanDerWaalsContact C-N 3.33Å; M473-A475 VanDerWaalsContact C-N 3.31Å; M473-A475 PolarHBondContact O-N 3Å; M473-L476 PolarHBondContact O-N 3.38Å; M473-Q477 HydrophobicContact CG-CG 4.31Å; M473-Q477 WeakPolarHBondContact O-CB 3.43Å; M473-Q477 WeakPolarHBondContact O-CG 3.28Å; M473-Q477 PolarHBondContact O-N 3.22Å; M473-Q477 PolarHBondContact SD-NE2 2.89Å |
| 474 | E | 78.7 | Confident | 76.7 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 176.4 | -74.3 | 172.5 | 179.4 | 0 | 0 | 110.9 | T470 K471 L476 Q477 S478 | T470-E474 HydrophobicContact CG2-CG 4.39Å; T470-E474 WeakPolarHBondContact O-CG 3.43Å; T470-E474 PolarHBondContact O-N 2.86Å; K471-E474 PolarHBondContact O-N 3.5Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.35Å; E474-Q477 PolarHBondContact O-N 3.28Å; E474-S478 WeakPolarHBondContact O-CB 3.31Å; E474-S478 PolarHBondContact O-N 2.83Å; E474-S478 PolarHBondContact O-OG 3.47Å |
| 475 | A | 80.8 | Confident | 75.4 | Confident | 45 Ų | 45 | 68 Ų | 68 | 37% | 0.372 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K471 R472 M473 S478 R479 | K471-A475 WeakPolarHBondContact O-CB 3.44Å; K471-A475 PolarHBondContact O-N 2.94Å; R472-A475 PolarHBondContact O-N 3.37Å; M473-A475 VanDerWaalsContact C-N 3.31Å; M473-A475 PolarHBondContact O-N 3Å; A475-S478 PolarHBondContact O-OG 2.81Å; A475-S478 VanDerWaalsContact O-OG 3.05Å; A475-R479 WeakPolarHBondContact O-CG 3.46Å |
| 476 | L | 76.1 | Confident | 74.1 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -78.1 | -37.9 | 173.2 | -73.6 | 174.1 | 0 | 0 | 0 | 111.9 | F358 E361 I362 L365 R472 M473 E474 R479 | F358-L476 HydrophobicContact CD1-CD2 4.06Å; F358-L476 HydrophobicContact CE1-CD2 4.22Å; E361-L476 HydrophobicContact CB-CD1 4.25Å; E361-L476 VanDerWaalsContact CD-CD1 3.44Å; E361-L476 HydrophobicContact CG-CD1 3.72Å; I362-L476 HydrophobicContact CD1-CB 4.21Å; I362-L476 HydrophobicContact CG1-CB 3.93Å; L365-L476 HydrophobicContact CD1-CD1 3.67Å; R472-L476 WeakPolarHBondContact O-CG 3.26Å; R472-L476 PolarHBondContact O-N 2.97Å; M473-L476 PolarHBondContact O-N 3.38Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.35Å; L476-R479 WeakPolarHBondContact O-CB 3.44Å; L476-R479 PolarHBondContact O-N 3.42Å |
| 477 | Q | 76.4 | Confident | 73 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 32% | 0.322 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.3 | -76.9 | 177.2 | -0.6 | 0 | 0 | 111 | I362 M473 E474 R479 I480 | I362-Q477 HydrophobicContact CD1-CG 3.99Å; I362-Q477 HydrophobicContact CG1-CG 4.38Å; I362-Q477 HydrophobicContact CG2-CG 4.34Å; M473-Q477 HydrophobicContact CG-CG 4.31Å; M473-Q477 WeakPolarHBondContact O-CB 3.43Å; M473-Q477 WeakPolarHBondContact O-CG 3.28Å; M473-Q477 PolarHBondContact O-N 3.22Å; M473-Q477 PolarHBondContact SD-NE2 2.89Å; E474-Q477 PolarHBondContact O-N 3.28Å; Q477-R479 PolarHBondContact O-N 2.95Å; Q477-I480 PolarHBondContact O-N 3.35Å |
| 478 | S | 76.2 | Confident | 71.7 | Confident | 77 Ų | 77 | 67 Ų | 67 | 54% | 0.538 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.7 | 177.5 | 74 | 0 | 0 | 0 | 0 | 113.2 | H185 E474 A475 I480 | H185-S478 PolarHBondContact CD2-O 2.89Å; H185-S478 PolarHBondContact NE2-O 3.4Å; E474-S478 WeakPolarHBondContact O-CB 3.31Å; E474-S478 PolarHBondContact O-N 2.83Å; E474-S478 PolarHBondContact O-OG 3.47Å; A475-S478 PolarHBondContact O-OG 2.81Å; A475-S478 VanDerWaalsContact O-OG 3.05Å; S478-I480 VanDerWaalsContact C-N 3.3Å |
| 479 | R | 79.1 | Confident | 70.5 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 40% | 0.4 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -20.4 | 174.5 | -73.6 | 173.6 | -174.8 | -179.3 | 1.3 | 113.7 | L139 V183 H185 A475 L476 Q477 | L139-R479 WeakPolarHBondContact CD1-O 3.45Å; V183-R479 HydrophobicContact CG1-CB 4.15Å; V183-R479 HydrophobicContact CG1-CG 4.3Å; H185-R479 WeakPolarHBondContact NE2-CA 3.46Å; A475-R479 WeakPolarHBondContact O-CG 3.46Å; L476-R479 WeakPolarHBondContact O-CB 3.44Å; L476-R479 PolarHBondContact O-N 3.42Å; Q477-R479 PolarHBondContact O-N 2.95Å |
| 480 | I | 79.3 | Confident | 69.6 | Low | 11 Ų | 11 | 77.8 Ų | 77.8 | 6% | 0.056 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -98.4 | 119.2 | 179.5 | -59.8 | 178.3 | 0 | 0 | 0 | 107.4 | R137 L355 F358 I362 Q477 S478 | R137-I480 HydrophobicContact CB-CG2 3.77Å; R137-I480 HydrophobicContact CG-CG2 4.1Å; L355-I480 HydrophobicContact CD1-CD1 4.07Å; L355-I480 HydrophobicContact CD1-CG1 4.13Å; L355-I480 HydrophobicContact CD1-CG2 4.18Å; F358-I480 HydrophobicContact CB-CD1 4.2Å; I362-I480 HydrophobicContact CD1-CD1 3.49Å; I362-I480 VanDerWaalsContact CD1-CD1 3.49Å; Q477-I480 PolarHBondContact O-N 3.35Å; S478-I480 VanDerWaalsContact C-N 3.3Å |
| 481 | I | 74.1 | Confident | 68.7 | Low | 17 Ų | 17 | 76 Ų | 76 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.2 | 177.6 | -52.1 | 167.7 | 0 | 0 | 0 | 107.2 | F126 I129 R137 F138 V140 L487 | F126-I481 HydrophobicContact CD1-CD1 4.48Å; F126-I481 HydrophobicContact CE1-CD1 3.8Å; I129-I481 HydrophobicContact CG2-CB 4.45Å; I129-I481 HydrophobicContact CG2-CG2 3.71Å; R137-I481 WeakPolarHBondContact CA-O 3.37Å; F138-I481 HydrophobicContact CB-CB 4.39Å; F138-I481 PolarHBondContact N-O 2.95Å; F138-I481 PolarHBondContact O-N 3.41Å; V140-I481 HydrophobicContact CG2-CD1 4.22Å; I481-L487 HydrophobicContact CG2-CD1 4.42Å |
| 482 | V | 69.8 | Low | 68 | Low | 48 Ų | 48 | 74 Ų | 74 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 133.8 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | A134 | A134-V482 WeakPolarHBondContact O-CG1 3.2Å |
| 483 | G | 59.2 | Low | 67.6 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 139.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A134 T136 | A134-G483 WeakPolarHBondContact CA-O 3.45Å; T136-G483 PolarHBondContact O-N 3.48Å |
| 484 | G | 57.4 | Low | 67.1 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 56% | 0.557 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.5 | -4.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | A130 | A130-G484 PolarHBondContact O-N 3.14Š|
| 485 | E | 54.6 | Low | 66.7 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 64% | 0.64 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -92.8 | 115.5 | 176.1 | -74.4 | -170.6 | 160.8 | 0 | 0 | 113.7 | L487 | E485-L487 PolarHBondContact O-N 3.2Š|
| 486 | N | 52 | Low | 66.6 | Low | 164 Ų | 164 | 70.9 Ų | 70.9 | 88% | 0.877 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 41.1 | 34.8 | 147.5 | -70.1 | -14 | 0 | 0 | 0 | 121.4 | ||
| 487 | L | 55.3 | Low | 66.8 | Low | 48 Ų | 48 | 72.9 Ų | 72.9 | 25% | 0.251 | 37% | 0.373 | S | S | . | . | trans | -104.6 | 13.1 | 169.3 | -76.4 | 162.5 | 0 | 0 | 0 | 113.9 | F126 A130 H185 I481 E485 | F126-L487 HydrophobicContact CD1-CD1 4.18Å; A130-L487 HydrophobicContact CB-CB 4.48Å; H185-L487 WeakPolarHBondContact O-CD1 3.39Å; I481-L487 HydrophobicContact CG2-CD1 4.42Å; E485-L487 PolarHBondContact O-N 3.2Å | ||
| 488 | L | 54.7 | Low | 66.9 | Low | 80 Ų | 80 | 69.9 Ų | 69.9 | 42% | 0.419 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -77.3 | -49.2 | -147.7 | -159.9 | 65.2 | 0 | 0 | 0 | 114.8 | A130 K490 A491 E492 | A130-L488 HydrophobicContact CB-CD1 4.47Å; L488-K490 PolarHBondContact O-N 2.84Å; L488-A491 PolarHBondContact O-N 2.96Å; L488-E492 HydrophobicContact CD1-CG 3.76Å; L488-E492 VanDerWaalsContact CD1-OE1 3.23Å; L488-E492 WeakPolarHBondContact CD1-OE1 3.49Å; L488-E492 VanDerWaalsContact CD2-OE1 3.22Å; L488-E492 WeakPolarHBondContact CD2-OE1 3.26Å; L488-E492 VanDerWaalsContact CG-CD 3.47Å; L488-E492 HydrophobicContact CG-CG 3.73Å; L488-E492 WeakPolarHBondContact CG-OE1 3.25Å; L488-E492 WeakPolarHBondContact O-CB 3.37Å; L488-E492 VanDerWaalsContact O-CG 3.28Å; L488-E492 WeakPolarHBondContact O-CG 3.07Å; L488-E492 PolarHBondContact O-N 2.88Å |
| 489 | E | 58.6 | Low | 67.1 | Low | 161 Ų | 161 | 71 Ų | 71 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -49.2 | -161.7 | -68.9 | -175.4 | 174.2 | 0 | 0 | 114.9 | I493 | E489-I493 WeakPolarHBondContact O-CD1 3.08Å; E489-I493 WeakPolarHBondContact O-CG1 3.41Å; E489-I493 PolarHBondContact O-N 3.43Å; E489-I493 VanDerWaalsContact O-N 3.12Å |
| 490 | K | 58.7 | Low | 67.3 | Low | 184 Ų | 184 | 73.2 Ų | 73.2 | 80% | 0.8 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.3 | -36.3 | -178.4 | -75.6 | -174.3 | 178.3 | 178.5 | 0 | 112.8 | L488 Q494 | L488-K490 PolarHBondContact O-N 2.84Å; K490-Q494 PolarHBondContact O-N 3.33Å |
| 491 | A | 62.5 | Low | 67.3 | Low | 7 Ų | 7 | 73.2 Ų | 73.2 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L488 I493 Q494 E495 | L488-A491 PolarHBondContact O-N 2.96Å; A491-I493 PolarHBondContact O-N 2.91Å; A491-Q494 PolarHBondContact O-N 3.42Å; A491-E495 VanDerWaalsContact O-CB 3.29Å; A491-E495 WeakPolarHBondContact O-CB 3.46Å; A491-E495 PolarHBondContact O-N 3.26Å |
| 492 | E | 67.5 | Low | 67.8 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 26% | 0.262 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.6 | -82.9 | -164.7 | 179 | 0 | 0 | 113.3 | L488 E495 K496 | L488-E492 HydrophobicContact CD1-CG 3.76Å; L488-E492 VanDerWaalsContact CD1-OE1 3.23Å; L488-E492 WeakPolarHBondContact CD1-OE1 3.49Å; L488-E492 VanDerWaalsContact CD2-OE1 3.22Å; L488-E492 WeakPolarHBondContact CD2-OE1 3.26Å; L488-E492 VanDerWaalsContact CG-CD 3.47Å; L488-E492 HydrophobicContact CG-CG 3.73Å; L488-E492 WeakPolarHBondContact CG-OE1 3.25Å; L488-E492 WeakPolarHBondContact O-CB 3.37Å; L488-E492 VanDerWaalsContact O-CG 3.28Å; L488-E492 WeakPolarHBondContact O-CG 3.07Å; L488-E492 PolarHBondContact O-N 2.88Å; E492-E495 PolarHBondContact O-N 2.89Å; E492-K496 VanDerWaalsContact O-CB 3.3Å; E492-K496 WeakPolarHBondContact O-CB 3.4Å; E492-K496 VanDerWaalsContact O-CG 3.27Å; E492-K496 WeakPolarHBondContact O-CG 3.34Å; E492-K496 PolarHBondContact O-N 3.41Å; E492-K496 IonicContact OE2-NZ 3.53Å; E492-K496 PolarHBondContact OE2-NZ 2.93Å |
| 493 | I | 71.5 | Confident | 68.6 | Low | 116 Ų | 116 | 74.8 Ų | 74.8 | 60% | 0.595 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | -179.8 | -70 | 163.1 | 0 | 0 | 0 | 110.2 | E489 A491 E495 L497 | E489-I493 WeakPolarHBondContact O-CD1 3.08Å; E489-I493 WeakPolarHBondContact O-CG1 3.41Å; E489-I493 PolarHBondContact O-N 3.43Å; E489-I493 VanDerWaalsContact O-N 3.12Å; A491-I493 PolarHBondContact O-N 2.91Å; I493-E495 VanDerWaalsContact C-N 3.33Å; I493-L497 WeakPolarHBondContact O-CB 3.41Å; I493-L497 PolarHBondContact O-N 2.94Å |
| 494 | Q | 66.3 | Low | 69.8 | Low | 10 Ų | 10 | 78.7 Ų | 78.7 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.6 | -169.5 | 70.7 | 21.8 | 0 | 0 | 110.7 | N120 A123 K490 A491 L497 L498 | N120-Q494 PolarHBondContact OD1-NE2 3.13Å; A123-Q494 HydrophobicContact CB-CB 4.17Å; A123-Q494 HydrophobicContact CB-CG 3.88Å; K490-Q494 PolarHBondContact O-N 3.33Å; A491-Q494 PolarHBondContact O-N 3.42Å; Q494-L497 WeakPolarHBondContact O-CB 3.45Å; Q494-L497 PolarHBondContact O-N 3.33Å; Q494-L498 HydrophobicContact CG-CD1 4.47Å; Q494-L498 WeakPolarHBondContact O-CG 3.24Å; Q494-L498 PolarHBondContact O-N 2.84Å |
| 495 | E | 71.5 | Confident | 71 | Confident | 29 Ų | 29 | 77.1 Ų | 77.1 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 178.9 | -166.3 | -175.7 | 179.2 | 0 | 0 | 112.2 | K131 A491 E492 I493 L497 L498 E499 | K131-E495 WeakPolarHBondContact CE-OE2 3.22Å; K131-E495 IonicContact NZ-OE1 3.74Å; K131-E495 PolarHBondContact NZ-OE1 3.36Å; K131-E495 IonicContact NZ-OE2 3.75Å; K131-E495 PolarHBondContact NZ-OE2 3.16Å; A491-E495 VanDerWaalsContact O-CB 3.29Å; A491-E495 WeakPolarHBondContact O-CB 3.46Å; A491-E495 PolarHBondContact O-N 3.26Å; E492-E495 PolarHBondContact O-N 2.89Å; I493-E495 VanDerWaalsContact C-N 3.33Å; E495-L497 PolarHBondContact O-N 3.41Å; E495-L498 CarbonylContact O-C 3.6Å; E495-L498 WeakPolarHBondContact O-CA 3.36Å; E495-L498 WeakPolarHBondContact O-CB 3.28Å; E495-L498 PolarHBondContact O-N 3.29Å; E495-E499 WeakPolarHBondContact O-CB 3.3Å; E495-E499 PolarHBondContact O-N 2.86Å |
| 496 | K | 78.8 | Confident | 72.4 | Confident | 104 Ų | 104 | 76.7 Ų | 76.7 | 45% | 0.452 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59 | -35.6 | 173.2 | -76.4 | 169.6 | -174.7 | 156.7 | 0 | 111.3 | E492 K500 | E492-K496 VanDerWaalsContact O-CB 3.3Å; E492-K496 WeakPolarHBondContact O-CB 3.4Å; E492-K496 VanDerWaalsContact O-CG 3.27Å; E492-K496 WeakPolarHBondContact O-CG 3.34Å; E492-K496 PolarHBondContact O-N 3.41Å; E492-K496 IonicContact OE2-NZ 3.53Å; E492-K496 PolarHBondContact OE2-NZ 2.93Å; K496-K500 WeakPolarHBondContact O-CB 3.38Å; K496-K500 WeakPolarHBondContact O-CG 3.35Å; K496-K500 PolarHBondContact O-N 3.29Å |
| 497 | L | 79.8 | Confident | 74.1 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.5 | -42.3 | 174.1 | -176.5 | 152.1 | 0 | 0 | 0 | 111.4 | T69 P112 I493 Q494 E495 S501 | T69-L497 HydrophobicContact CG2-CD2 3.84Å; P112-L497 HydrophobicContact CB-CD1 4.46Å; I493-L497 WeakPolarHBondContact O-CB 3.41Å; I493-L497 PolarHBondContact O-N 2.94Å; Q494-L497 WeakPolarHBondContact O-CB 3.45Å; Q494-L497 PolarHBondContact O-N 3.33Å; E495-L497 PolarHBondContact O-N 3.41Å; L497-S501 WeakPolarHBondContact O-CB 3.35Å; L497-S501 PolarHBondContact O-N 3.11Å; L497-S501 PolarHBondContact O-OG 3.25Å |
| 498 | L | 77.1 | Confident | 75.3 | Confident | 5 Ų | 5 | 77.3 Ų | 77.3 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 175.5 | -70.9 | 174.3 | 0 | 0 | 0 | 112.4 | T69 Y72 N73 Q494 E495 S501 A502 | T69-L498 HydrophobicContact CG2-CD2 4.31Å; Y72-L498 HydrophobicContact CD1-CD1 4.03Å; Y72-L498 HydrophobicContact CD1-CD2 3.85Å; Y72-L498 HydrophobicContact CE1-CD1 3.81Å; Y72-L498 HydrophobicContact CE1-CD2 4.47Å; N73-L498 PolarHBondContact ND2-O 3.02Å; N73-L498 VanDerWaalsContact ND2-O 3.08Å; Q494-L498 HydrophobicContact CG-CD1 4.47Å; Q494-L498 WeakPolarHBondContact O-CG 3.24Å; Q494-L498 PolarHBondContact O-N 2.84Å; E495-L498 CarbonylContact O-C 3.6Å; E495-L498 WeakPolarHBondContact O-CA 3.36Å; E495-L498 WeakPolarHBondContact O-CB 3.28Å; E495-L498 PolarHBondContact O-N 3.29Å; L498-S501 VanDerWaalsContact CA-OG 3.29Å; L498-S501 WeakPolarHBondContact CA-OG 3.44Å; L498-S501 PolarHBondContact O-OG 3.19Å; L498-A502 VanDerWaalsContact O-CB 3.28Å; L498-A502 WeakPolarHBondContact O-CB 3.43Å; L498-A502 PolarHBondContact O-N 3.42Å |
| 499 | E | 81.5 | Confident | 76.5 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.4 | -45.1 | 176.7 | -171.8 | 176.7 | -161.2 | 0 | 0 | 111.7 | E495 S501 A502 I503 | E495-E499 WeakPolarHBondContact O-CB 3.3Å; E495-E499 PolarHBondContact O-N 2.86Å; E499-S501 VanDerWaalsContact C-N 3.32Å; E499-S501 PolarHBondContact O-N 3.23Å; E499-A502 PolarHBondContact O-N 2.89Å; E499-I503 HydrophobicContact CG-CD1 4.22Å; E499-I503 WeakPolarHBondContact O-CG1 3.33Å; E499-I503 PolarHBondContact O-N 3.46Å |
| 500 | K | 83.4 | Confident | 77.8 | Confident | 154 Ų | 154 | 73.7 Ų | 73.7 | 67% | 0.67 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | 173.1 | -76.8 | 174.3 | -178 | -178.1 | 0 | 111.7 | K496 I503 E504 | K496-K500 WeakPolarHBondContact O-CB 3.38Å; K496-K500 WeakPolarHBondContact O-CG 3.35Å; K496-K500 PolarHBondContact O-N 3.29Å; K500-I503 PolarHBondContact O-N 3.05Å; K500-E504 WeakPolarHBondContact O-CB 3.48Å; K500-E504 PolarHBondContact O-N 3.35Å |
| 501 | S | 79.6 | Confident | 78.8 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 176.9 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | N73 L497 L498 E499 E504 L505 | N73-S501 PolarHBondContact ND2-OG 3.21Å; N73-S501 VanDerWaalsContact ND2-OG 3.14Å; L497-S501 WeakPolarHBondContact O-CB 3.35Å; L497-S501 PolarHBondContact O-N 3.11Å; L497-S501 PolarHBondContact O-OG 3.25Å; L498-S501 VanDerWaalsContact CA-OG 3.29Å; L498-S501 WeakPolarHBondContact CA-OG 3.44Å; L498-S501 PolarHBondContact O-OG 3.19Å; E499-S501 VanDerWaalsContact C-N 3.32Å; E499-S501 PolarHBondContact O-N 3.23Å; S501-E504 PolarHBondContact O-N 2.85Å; S501-L505 VanDerWaalsContact O-CB 3.23Å; S501-L505 WeakPolarHBondContact O-CB 3.39Å; S501-L505 PolarHBondContact O-N 3.41Å |
| 502 | A | 83.5 | Confident | 79.6 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N73 L498 E499 L505 Q506 | N73-A502 PolarHBondContact ND2-N 2.81Å; L498-A502 VanDerWaalsContact O-CB 3.28Å; L498-A502 WeakPolarHBondContact O-CB 3.43Å; L498-A502 PolarHBondContact O-N 3.42Å; E499-A502 PolarHBondContact O-N 2.89Å; A502-L505 PolarHBondContact O-N 3.27Å; A502-Q506 WeakPolarHBondContact O-CB 3.49Å; A502-Q506 PolarHBondContact O-N 2.6Å |
| 503 | I | 87.5 | Confident | 80.3 | Confident | 73 Ų | 73 | 77.1 Ų | 77.1 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 176 | -65.8 | 164.7 | 0 | 0 | 0 | 110.9 | E499 K500 Q506 K507 | E499-I503 HydrophobicContact CG-CD1 4.22Å; E499-I503 WeakPolarHBondContact O-CG1 3.33Å; E499-I503 PolarHBondContact O-N 3.46Å; K500-I503 PolarHBondContact O-N 3.05Å; I503-Q506 PolarHBondContact O-N 2.89Å; I503-K507 HydrophobicContact CG2-CD 4.27Å; I503-K507 WeakPolarHBondContact O-CG 3.38Å; I503-K507 PolarHBondContact O-N 3.29Å |
| 504 | E | 85 | Confident | 81 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 174.9 | -173.5 | -173 | 157 | 0 | 0 | 110.7 | K67 K500 S501 K507 Q508 | K67-E504 IonicContact NZ-OE1 3.61Å; K67-E504 PolarHBondContact NZ-OE1 2.89Å; K67-E504 IonicContact NZ-OE2 2.81Å; K500-E504 WeakPolarHBondContact O-CB 3.48Å; K500-E504 PolarHBondContact O-N 3.35Å; S501-E504 PolarHBondContact O-N 2.85Å; E504-K507 PolarHBondContact O-N 2.72Å; E504-Q508 WeakPolarHBondContact O-CG 3.45Å; E504-Q508 PolarHBondContact O-N 3.09Å; E504-Q508 PolarHBondContact OE1-NE2 2.75Å |
| 505 | L | 82 | Confident | 81.6 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 178.1 | -175.6 | 119.3 | 0 | 0 | 0 | 111.6 | D70 M74 S501 A502 K507 Q508 Q509 | D70-L505 HydrophobicContact CB-CD1 3.45Å; D70-L505 VanDerWaalsContact CB-CD1 3.45Å; M74-L505 HydrophobicContact CG-CD1 4.3Å; M74-L505 HydrophobicContact CG-CD2 3.69Å; M74-L505 HydrophobicContact SD-CD1 3.98Å; M74-L505 HydrophobicContact SD-CD2 3.91Å; M74-L505 HydrophobicContact SD-CG 4.47Å; S501-L505 VanDerWaalsContact O-CB 3.23Å; S501-L505 WeakPolarHBondContact O-CB 3.39Å; S501-L505 PolarHBondContact O-N 3.41Å; A502-L505 PolarHBondContact O-N 3.27Å; L505-K507 VanDerWaalsContact C-N 3.33Å; L505-K507 PolarHBondContact O-N 3.43Å; L505-Q508 WeakPolarHBondContact O-CB 3.47Å; L505-Q508 PolarHBondContact O-N 3.36Å; L505-Q508 VanDerWaalsContact O-N 3.13Å; L505-Q509 WeakPolarHBondContact O-CG 3.25Å; L505-Q509 PolarHBondContact O-N 3.01Å |
| 506 | Q | 84.6 | Confident | 81.9 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 177.4 | -170.1 | -176.8 | 18.2 | 0 | 0 | 112 | A502 I503 Q508 Q509 L510 | A502-Q506 WeakPolarHBondContact O-CB 3.49Å; A502-Q506 PolarHBondContact O-N 2.6Å; I503-Q506 PolarHBondContact O-N 2.89Å; Q506-Q508 VanDerWaalsContact C-N 3.32Å; Q506-Q508 PolarHBondContact O-N 3.42Å; Q506-Q509 PolarHBondContact O-N 2.72Å; Q506-L510 WeakPolarHBondContact O-CB 3.45Å; Q506-L510 PolarHBondContact O-N 2.95Å |
| 507 | K | 86.4 | Confident | 82 | Confident | 125 Ų | 125 | 83.8 Ų | 83.8 | 54% | 0.543 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.1 | -74.8 | 173.8 | -178.6 | 175.7 | 0 | 111.9 | I503 E504 L505 R511 | I503-K507 HydrophobicContact CG2-CD 4.27Å; I503-K507 WeakPolarHBondContact O-CG 3.38Å; I503-K507 PolarHBondContact O-N 3.29Å; E504-K507 PolarHBondContact O-N 2.72Å; L505-K507 VanDerWaalsContact C-N 3.33Å; L505-K507 PolarHBondContact O-N 3.43Å; K507-R511 VanDerWaalsContact O-CG 3.29Å; K507-R511 WeakPolarHBondContact O-CG 3.49Å; K507-R511 PolarHBondContact O-N 3.46Å |
| 508 | Q | 80.8 | Confident | 82.1 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 47% | 0.467 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -46.2 | 175.9 | -71.4 | -178.6 | 17.3 | 0 | 0 | 111.2 | E504 L505 Q506 R511 A512 | E504-Q508 WeakPolarHBondContact O-CG 3.45Å; E504-Q508 PolarHBondContact O-N 3.09Å; E504-Q508 PolarHBondContact OE1-NE2 2.75Å; L505-Q508 WeakPolarHBondContact O-CB 3.47Å; L505-Q508 PolarHBondContact O-N 3.36Å; L505-Q508 VanDerWaalsContact O-N 3.13Å; Q506-Q508 VanDerWaalsContact C-N 3.32Å; Q506-Q508 PolarHBondContact O-N 3.42Å; Q508-R511 PolarHBondContact O-N 3.41Å; Q508-A512 VanDerWaalsContact O-CB 3.23Å; Q508-A512 WeakPolarHBondContact O-CB 3.4Å; Q508-A512 PolarHBondContact O-N 2.82Å |
| 509 | Q | 80 | Confident | 82.3 | Confident | 70 Ų | 70 | 92 Ų | 92 | 33% | 0.327 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 176.3 | -74.6 | 176.2 | -19.6 | 0 | 0 | 111.7 | M74 L505 Q506 R511 A512 E513 | M74-Q509 VanDerWaalsContact CE-NE2 3.34Å; L505-Q509 WeakPolarHBondContact O-CG 3.25Å; L505-Q509 PolarHBondContact O-N 3.01Å; Q506-Q509 PolarHBondContact O-N 2.72Å; Q509-R511 VanDerWaalsContact C-N 3.35Å; Q509-R511 PolarHBondContact O-N 2.93Å; Q509-A512 PolarHBondContact O-N 2.81Å; Q509-A512 VanDerWaalsContact O-N 3.09Å; Q509-E513 WeakPolarHBondContact O-CG 3.23Å; Q509-E513 PolarHBondContact O-N 3.46Å |
| 510 | L | 86.4 | Confident | 82.1 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 179.7 | -175.9 | 69.3 | 0 | 0 | 0 | 112.5 | Q506 A512 Q514 | Q506-L510 WeakPolarHBondContact O-CB 3.45Å; Q506-L510 PolarHBondContact O-N 2.95Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 2.88Å; L510-Q514 WeakPolarHBondContact O-CB 3.29Å; L510-Q514 VanDerWaalsContact O-CG 3.25Å; L510-Q514 WeakPolarHBondContact O-CG 3.41Å; L510-Q514 PolarHBondContact O-N 2.85Å |
| 511 | R | 80.1 | Confident | 82.1 | Confident | 178 Ų | 178 | 89.6 Ų | 89.6 | 67% | 0.672 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 176.6 | -75.7 | 174.9 | -177 | 174.9 | 1.3 | 111.7 | K507 Q508 Q509 L515 | K507-R511 VanDerWaalsContact O-CG 3.29Å; K507-R511 WeakPolarHBondContact O-CG 3.49Å; K507-R511 PolarHBondContact O-N 3.46Å; Q508-R511 PolarHBondContact O-N 3.41Å; Q509-R511 VanDerWaalsContact C-N 3.35Å; Q509-R511 PolarHBondContact O-N 2.93Å; R511-L515 PolarHBondContact O-N 2.76Å |
| 512 | A | 78.8 | Confident | 82 | Confident | 23 Ų | 23 | 95.6 Ų | 95.6 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -73.9 | -38.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L37 Q508 Q509 L510 L515 H516 | L37-A512 HydrophobicContact CD1-CB 3.81Å; L37-A512 HydrophobicContact CD2-CB 3.23Å; L37-A512 HydrophobicContact CG-CB 4.06Å; Q508-A512 VanDerWaalsContact O-CB 3.23Å; Q508-A512 WeakPolarHBondContact O-CB 3.4Å; Q508-A512 PolarHBondContact O-N 2.82Å; Q509-A512 PolarHBondContact O-N 2.81Å; Q509-A512 VanDerWaalsContact O-N 3.09Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 2.88Å; A512-L515 PolarHBondContact O-N 2.81Å; A512-H516 WeakPolarHBondContact O-CB 3.38Å; A512-H516 PolarHBondContact O-N 3.13Å |
| 513 | E | 81.6 | Confident | 81.5 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 169.5 | -75.5 | 174.8 | -174.9 | 0 | 0 | 111.7 | Q509 L515 H516 Q517 | Q509-E513 WeakPolarHBondContact O-CG 3.23Å; Q509-E513 PolarHBondContact O-N 3.46Å; E513-L515 VanDerWaalsContact C-N 3.31Å; E513-L515 PolarHBondContact O-N 3.2Å; E513-H516 PolarHBondContact O-N 3.47Å; E513-Q517 WeakPolarHBondContact O-CB 3.45Å; E513-Q517 PolarHBondContact O-N 3.39Å |
| 514 | Q | 86 | Confident | 80.9 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 176.4 | -74.7 | 174.5 | 3.5 | 0 | 0 | 112.6 | L510 K518 | L510-Q514 WeakPolarHBondContact O-CB 3.29Å; L510-Q514 VanDerWaalsContact O-CG 3.25Å; L510-Q514 WeakPolarHBondContact O-CG 3.41Å; L510-Q514 PolarHBondContact O-N 2.85Å; Q514-K518 WeakPolarHBondContact O-CG 3.42Å; Q514-K518 PolarHBondContact O-N 3.32Å |
| 515 | L | 79.1 | Confident | 80.3 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | 176.3 | -173.1 | 72.3 | 0 | 0 | 0 | 111.1 | R511 A512 E513 K518 L519 | R511-L515 PolarHBondContact O-N 2.76Å; A512-L515 PolarHBondContact O-N 2.81Å; E513-L515 VanDerWaalsContact C-N 3.31Å; E513-L515 PolarHBondContact O-N 3.2Å; L515-K518 PolarHBondContact O-N 3.25Å; L515-L519 HydrophobicContact CG-CD1 4.37Å; L515-L519 WeakPolarHBondContact O-CG 3.31Å; L515-L519 PolarHBondContact O-N 3.06Å |
| 516 | H | 77.3 | Confident | 79.8 | Confident | 73 Ų | 73 | 110.6 Ų | 110.6 | 34% | 0.338 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 178.1 | -174.7 | 94.6 | 0 | 0 | 0 | 111.5 | D38 A512 E513 K518 L519 K520 | D38-H516 IonicContact OD1-CE1 2.62Å; D38-H516 PolarHBondContact OD1-CE1 3.38Å; D38-H516 IonicContact OD1-ND1 2.9Å; D38-H516 IonicContact OD1-NE2 2.99Å; A512-H516 WeakPolarHBondContact O-CB 3.38Å; A512-H516 PolarHBondContact O-N 3.13Å; E513-H516 PolarHBondContact O-N 3.47Å; H516-K518 VanDerWaalsContact C-N 3.31Å; H516-K518 PolarHBondContact O-N 3.35Å; H516-L519 WeakPolarHBondContact O-CB 3.29Å; H516-L519 PolarHBondContact O-N 2.77Å; H516-L519 VanDerWaalsContact O-N 3.09Å; H516-K520 WeakPolarHBondContact O-CB 3.35Å; H516-K520 PolarHBondContact O-N 2.93Å |
| 517 | Q | 81.1 | Confident | 78.8 | Confident | 116 Ų | 116 | 107.8 Ų | 107.8 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 175.5 | -177.5 | 174.1 | -0.9 | 0 | 0 | 111.2 | E513 L519 K520 E521 | E513-Q517 WeakPolarHBondContact O-CB 3.45Å; E513-Q517 PolarHBondContact O-N 3.39Å; Q517-L519 VanDerWaalsContact C-N 3.32Å; Q517-L519 PolarHBondContact O-N 3.25Å; Q517-K520 PolarHBondContact O-N 2.98Å; Q517-E521 WeakPolarHBondContact CG-OE1 3.45Å; Q517-E521 PolarHBondContact NE2-OE1 3.46Å; Q517-E521 VanDerWaalsContact NE2-OE1 3.12Å; Q517-E521 WeakPolarHBondContact O-CB 3.42Å; Q517-E521 VanDerWaalsContact O-CG 3.31Å; Q517-E521 WeakPolarHBondContact O-CG 3.22Å; Q517-E521 PolarHBondContact O-N 3.21Å |
| 518 | K | 82.9 | Confident | 77.9 | Confident | 127 Ų | 127 | 106.3 Ų | 106.3 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -35.2 | 175.4 | -72.6 | 175 | -178.9 | 178.7 | 0 | 113.4 | Q514 L515 H516 K522 | Q514-K518 WeakPolarHBondContact O-CG 3.42Å; Q514-K518 PolarHBondContact O-N 3.32Å; L515-K518 PolarHBondContact O-N 3.25Å; H516-K518 VanDerWaalsContact C-N 3.31Å; H516-K518 PolarHBondContact O-N 3.35Å; K518-K522 VanDerWaalsContact O-CG 3.32Å; K518-K522 WeakPolarHBondContact O-CG 3.48Å; K518-K522 PolarHBondContact O-N 2.85Å |
| 519 | L | 79.7 | Confident | 77 | Confident | 101 Ų | 101 | 107.6 Ų | 107.6 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 175.2 | -79.3 | 165.1 | 0 | 0 | 0 | 110.9 | L515 H516 Q517 K522 E523 | L515-L519 HydrophobicContact CG-CD1 4.37Å; L515-L519 WeakPolarHBondContact O-CG 3.31Å; L515-L519 PolarHBondContact O-N 3.06Å; H516-L519 WeakPolarHBondContact O-CB 3.29Å; H516-L519 PolarHBondContact O-N 2.77Å; H516-L519 VanDerWaalsContact O-N 3.09Å; Q517-L519 VanDerWaalsContact C-N 3.32Å; Q517-L519 PolarHBondContact O-N 3.25Å; L519-K522 WeakPolarHBondContact O-CB 3.43Å; L519-K522 PolarHBondContact O-N 3.42Å; L519-E523 PolarHBondContact O-N 3.4Å |
| 520 | K | 79.1 | Confident | 76.2 | Confident | 116 Ų | 116 | 108.6 Ų | 108.6 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 177.5 | -173.2 | -179.8 | 175.6 | -172.6 | 0 | 112 | H516 Q517 K522 E523 E524 | H516-K520 WeakPolarHBondContact O-CB 3.35Å; H516-K520 PolarHBondContact O-N 2.93Å; Q517-K520 PolarHBondContact O-N 2.98Å; K520-K522 VanDerWaalsContact C-N 3.31Å; K520-K522 PolarHBondContact O-N 3.49Å; K520-E523 WeakPolarHBondContact O-CB 3.42Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.12Å; K520-E524 WeakPolarHBondContact CE-OE1 3.34Å; K520-E524 WeakPolarHBondContact O-CG 3.29Å; K520-E524 PolarHBondContact O-N 3.26Å |
| 521 | E | 81.8 | Confident | 75 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 174.3 | -74.7 | 167.7 | -175.9 | 0 | 0 | 110.9 | Q517 E523 E524 E525 | Q517-E521 WeakPolarHBondContact CG-OE1 3.45Å; Q517-E521 PolarHBondContact NE2-OE1 3.46Å; Q517-E521 VanDerWaalsContact NE2-OE1 3.12Å; Q517-E521 WeakPolarHBondContact O-CB 3.42Å; Q517-E521 VanDerWaalsContact O-CG 3.31Å; Q517-E521 WeakPolarHBondContact O-CG 3.22Å; Q517-E521 PolarHBondContact O-N 3.21Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E521-E523 PolarHBondContact O-N 2.97Å; E521-E524 PolarHBondContact O-N 3.04Å; E521-E525 WeakPolarHBondContact O-CB 3.26Å; E521-E525 VanDerWaalsContact O-CG 3.27Å; E521-E525 WeakPolarHBondContact O-CG 3.32Å; E521-E525 PolarHBondContact O-N 2.89Å |
| 522 | K | 77.4 | Confident | 74 | Confident | 136 Ų | 136 | 107.7 Ų | 107.7 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -35.7 | 174.7 | -76 | 180 | 176.7 | -174.5 | 0 | 113.6 | K518 L519 K520 R526 | K518-K522 VanDerWaalsContact O-CG 3.32Å; K518-K522 WeakPolarHBondContact O-CG 3.48Å; K518-K522 PolarHBondContact O-N 2.85Å; L519-K522 WeakPolarHBondContact O-CB 3.43Å; L519-K522 PolarHBondContact O-N 3.42Å; K520-K522 VanDerWaalsContact C-N 3.31Å; K520-K522 PolarHBondContact O-N 3.49Å; K522-R526 WeakPolarHBondContact O-CB 3.36Å; K522-R526 PolarHBondContact O-N 3.27Å |
| 523 | E | 74.3 | Confident | 73 | Confident | 124 Ų | 124 | 110.9 Ų | 110.9 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.7 | -44.2 | 176 | -163 | 83.3 | -159.4 | 0 | 0 | 110.4 | L519 K520 E521 R526 I527 | L519-E523 PolarHBondContact O-N 3.4Å; K520-E523 WeakPolarHBondContact O-CB 3.42Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.12Å; E521-E523 VanDerWaalsContact C-N 3.35Å; E521-E523 PolarHBondContact O-N 2.97Å; E523-R526 WeakPolarHBondContact O-CB 3.35Å; E523-R526 PolarHBondContact O-N 3.49Å; E523-I527 HydrophobicContact CG-CD1 4.34Å; E523-I527 VanDerWaalsContact O-CG1 3.31Å; E523-I527 WeakPolarHBondContact O-CG1 3.27Å; E523-I527 PolarHBondContact O-N 3.01Å |
| 524 | E | 74.4 | Confident | 71.9 | Confident | 105 Ų | 105 | 113 Ų | 113 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.7 | -73.8 | 179 | -178.8 | 0 | 0 | 111.7 | K520 E521 R526 I527 N528 | K520-E524 WeakPolarHBondContact CE-OE1 3.34Å; K520-E524 WeakPolarHBondContact O-CG 3.29Å; K520-E524 PolarHBondContact O-N 3.26Å; E521-E524 PolarHBondContact O-N 3.04Å; E524-R526 VanDerWaalsContact C-N 3.32Å; E524-R526 PolarHBondContact O-N 2.96Å; E524-I527 PolarHBondContact O-N 2.92Å; E524-N528 VanDerWaalsContact O-CB 3.26Å; E524-N528 WeakPolarHBondContact O-CB 3.23Å; E524-N528 PolarHBondContact O-N 2.75Å |
| 525 | E | 73.2 | Confident | 71.2 | Confident | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.3 | -45.2 | 170.8 | -76.7 | 174.1 | 179 | 0 | 0 | 111.1 | E521 N528 I529 | E521-E525 WeakPolarHBondContact O-CB 3.26Å; E521-E525 VanDerWaalsContact O-CG 3.27Å; E521-E525 WeakPolarHBondContact O-CG 3.32Å; E521-E525 PolarHBondContact O-N 2.89Å; E525-N528 PolarHBondContact O-N 2.99Å; E525-I529 WeakPolarHBondContact O-CB 3.45Å; E525-I529 WeakPolarHBondContact O-CD1 3.5Å; E525-I529 WeakPolarHBondContact O-CG1 3.25Å; E525-I529 PolarHBondContact O-N 3.19Å |
| 526 | R | 70.1 | Confident | 70.6 | Confident | 170 Ų | 170 | 114 Ų | 114 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.6 | -47.7 | 174.6 | -95.4 | -165.4 | 173.1 | -93.7 | 0.2 | 111.8 | K522 E523 E524 I529 E530 | K522-R526 WeakPolarHBondContact O-CB 3.36Å; K522-R526 PolarHBondContact O-N 3.27Å; E523-R526 WeakPolarHBondContact O-CB 3.35Å; E523-R526 PolarHBondContact O-N 3.49Å; E524-R526 VanDerWaalsContact C-N 3.32Å; E524-R526 PolarHBondContact O-N 2.96Å; R526-I529 PolarHBondContact O-N 3.32Å; R526-E530 WeakPolarHBondContact O-CG 3.49Å; R526-E530 PolarHBondContact O-N 3.27Å |
| 527 | I | 65 | Low | 70.4 | Confident | 69 Ų | 69 | 117.9 Ų | 117.9 | 35% | 0.354 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -42.7 | -179.7 | -68.2 | 166 | 0 | 0 | 0 | 110.5 | E523 E524 I529 E530 E531 | E523-I527 HydrophobicContact CG-CD1 4.34Å; E523-I527 VanDerWaalsContact O-CG1 3.31Å; E523-I527 WeakPolarHBondContact O-CG1 3.27Å; E523-I527 PolarHBondContact O-N 3.01Å; E524-I527 PolarHBondContact O-N 2.92Å; I527-I529 VanDerWaalsContact C-N 3.33Å; I527-I529 PolarHBondContact O-N 3.49Å; I527-E530 CarbonylContact O-C 3.49Å; I527-E530 WeakPolarHBondContact O-CA 3.45Å; I527-E530 WeakPolarHBondContact O-CB 3.39Å; I527-E530 PolarHBondContact O-N 3.23Å; I527-E531 HydrophobicContact CG2-CG 4.14Å; I527-E531 WeakPolarHBondContact O-CG 3.46Å; I527-E531 PolarHBondContact O-N 3.12Å |
| 528 | N | 67.3 | Low | 69.8 | Low | 94 Ų | 94 | 116.5 Ų | 116.5 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 179.2 | -167.4 | 2.6 | 0 | 0 | 0 | 112 | E524 E525 E530 E531 K532 | E524-N528 VanDerWaalsContact O-CB 3.26Å; E524-N528 WeakPolarHBondContact O-CB 3.23Å; E524-N528 PolarHBondContact O-N 2.75Å; E525-N528 PolarHBondContact O-N 2.99Å; N528-E530 VanDerWaalsContact C-N 3.3Å; N528-E531 PolarHBondContact O-N 3.26Å; N528-K532 PolarHBondContact O-N 2.85Å |
| 529 | I | 62.1 | Low | 69.2 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 65% | 0.646 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.5 | -38.8 | 170.1 | -68.3 | 163.2 | 0 | 0 | 0 | 110.6 | E525 R526 I527 | E525-I529 WeakPolarHBondContact O-CB 3.45Å; E525-I529 WeakPolarHBondContact O-CD1 3.5Å; E525-I529 WeakPolarHBondContact O-CG1 3.25Å; E525-I529 PolarHBondContact O-N 3.19Å; R526-I529 PolarHBondContact O-N 3.32Å; I527-I529 VanDerWaalsContact C-N 3.33Å; I527-I529 PolarHBondContact O-N 3.49Å |
| 530 | E | 62.5 | Low | 69 | Low | 91 Ų | 91 | 111.7 Ų | 111.7 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.9 | -28.7 | 176.3 | -70.1 | -170.5 | 173.9 | 0 | 0 | 113.9 | R526 I527 N528 Y533 K545 | R526-E530 WeakPolarHBondContact O-CG 3.49Å; R526-E530 PolarHBondContact O-N 3.27Å; I527-E530 CarbonylContact O-C 3.49Å; I527-E530 WeakPolarHBondContact O-CA 3.45Å; I527-E530 WeakPolarHBondContact O-CB 3.39Å; I527-E530 PolarHBondContact O-N 3.23Å; N528-E530 VanDerWaalsContact C-N 3.3Å; E530-Y533 WeakPolarHBondContact O-CE1 3.45Å; E530-K545 IonicContact OE1-NZ 2.99Å; E530-K545 PolarHBondContact OE1-NZ 3.39Å; E530-K545 IonicContact OE2-NZ 3.1Å; E530-K545 PolarHBondContact OE2-NZ 2.94Å |
| 531 | E | 61.3 | Low | 69 | Low | 107 Ų | 107 | 108.4 Ų | 108.4 | 50% | 0.5 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -82.6 | -9.8 | -178.1 | -76.9 | -167.2 | 156.8 | 0 | 0 | 114.2 | I527 N528 Y533 | I527-E531 HydrophobicContact CG2-CG 4.14Å; I527-E531 WeakPolarHBondContact O-CG 3.46Å; I527-E531 PolarHBondContact O-N 3.12Å; N528-E531 PolarHBondContact O-N 3.26Å; E531-Y533 HydrophobicContact CB-CE2 4.26Å; E531-Y533 HydrophobicContact CG-CE2 4.32Å; E531-Y533 WeakPolarHBondContact O-CD2 3.39Å; E531-Y533 WeakPolarHBondContact O-CE2 3.45Å; E531-Y533 PolarHBondContact O-N 2.9Å |
| 532 | K | 58.7 | Low | 68.7 | Low | 148 Ų | 148 | 104.5 Ų | 104.5 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | trans | -73.6 | 80.1 | 169.9 | -73.4 | 179.1 | -176.9 | 179 | 0 | 109.9 | N528 | N528-K532 PolarHBondContact O-N 2.85Š| ||
| 533 | Y | 58 | Low | 68.7 | Low | 90 Ų | 90 | 104.1 Ų | 104.1 | 35% | 0.353 | 51% | 0.509 | S | S | . | . | trans | -82.8 | 116.7 | 176.2 | -58 | -68.9 | 0 | 0 | 0 | 110.4 | E530 E531 E538 | E530-Y533 WeakPolarHBondContact O-CE1 3.45Å; E531-Y533 HydrophobicContact CB-CE2 4.26Å; E531-Y533 HydrophobicContact CG-CE2 4.32Å; E531-Y533 WeakPolarHBondContact O-CD2 3.39Å; E531-Y533 WeakPolarHBondContact O-CE2 3.45Å; E531-Y533 PolarHBondContact O-N 2.9Å; Y533-E538 WeakPolarHBondContact CA-OE2 3.34Å; Y533-E538 HydrophobicContact CD1-CB 3.51Å; Y533-E538 HydrophobicContact CE1-CB 4.18Å; Y533-E538 WeakPolarHBondContact CE1-O 3.45Å | ||
| 534 | N | 59.1 | Low | 69 | Low | 161 Ų | 161 | 106.8 Ų | 106.8 | 86% | 0.861 | 51% | 0.513 | S | S | * | . | trans | -104.1 | -3.8 | 171.3 | -75.1 | -31 | 0 | 0 | 0 | 112.6 | E538 | N534-E538 PolarHBondContact N-OE2 2.89Š| ||
| 535 | N | 70.8 | Confident | 69.3 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -142 | 147.8 | -175.3 | -159.6 | -2.6 | 0 | 0 | 0 | 113.6 | Q537 E538 E539 | N535-Q537 PolarHBondContact O-N 3.24Å; N535-E538 HydrophobicContact CB-CG 4.4Å; N535-E538 PolarHBondContact O-N 3.5Å; N535-E539 PolarHBondContact O-N 2.82Å |
| 536 | L | 67.3 | Low | 69.6 | Low | 129 Ų | 129 | 106.7 Ų | 106.7 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.7 | -32.5 | 177.4 | -169.3 | 74.3 | 0 | 0 | 0 | 112.3 | E538 E539 A540 | L536-E538 VanDerWaalsContact C-N 3.28Å; L536-E538 PolarHBondContact O-N 2.99Å; L536-E539 PolarHBondContact O-N 3.38Å; L536-A540 PolarHBondContact O-N 3.25Å |
| 537 | Q | 71.9 | Confident | 70.2 | Confident | 154 Ų | 154 | 104.3 Ų | 104.3 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -39.1 | 173.8 | -168.5 | 90.6 | 2.7 | 0 | 0 | 111.8 | N535 A541 | N535-Q537 PolarHBondContact O-N 3.24Å; Q537-A541 PolarHBondContact O-N 2.74Å; Q537-A541 VanDerWaalsContact O-N 3.08Å |
| 538 | E | 70.2 | Confident | 71 | Confident | 87 Ų | 87 | 109.8 Ų | 109.8 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.4 | -34.3 | -179 | -54.8 | 177.7 | 142.9 | 0 | 0 | 111.3 | Y533 N534 N535 L536 A540 A541 G542 | Y533-E538 WeakPolarHBondContact CA-OE2 3.34Å; Y533-E538 HydrophobicContact CD1-CB 3.51Å; Y533-E538 HydrophobicContact CE1-CB 4.18Å; Y533-E538 WeakPolarHBondContact CE1-O 3.45Å; N534-E538 PolarHBondContact N-OE2 2.89Å; N535-E538 HydrophobicContact CB-CG 4.4Å; N535-E538 PolarHBondContact O-N 3.5Å; L536-E538 VanDerWaalsContact C-N 3.28Å; L536-E538 PolarHBondContact O-N 2.99Å; E538-A540 VanDerWaalsContact C-N 3.31Å; E538-A540 PolarHBondContact O-N 2.85Å; E538-A541 CarbonylContact O-C 3.51Å; E538-A541 WeakPolarHBondContact O-CA 3.43Å; E538-A541 WeakPolarHBondContact O-CB 3.32Å; E538-A541 PolarHBondContact O-N 2.8Å; E538-A541 VanDerWaalsContact O-N 3.08Å; E538-G542 PolarHBondContact O-N 2.91Å |
| 539 | E | 68.2 | Low | 71.6 | Confident | 78 Ų | 78 | 112 Ų | 112 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 170.4 | -169.1 | -165.1 | 161.2 | 0 | 0 | 110.9 | N535 L536 A541 G542 K543 | N535-E539 PolarHBondContact O-N 2.82Å; L536-E539 PolarHBondContact O-N 3.38Å; E539-A541 VanDerWaalsContact C-N 3.29Å; E539-A541 PolarHBondContact O-N 2.7Å; E539-G542 PolarHBondContact O-N 2.91Å; E539-K543 WeakPolarHBondContact O-CB 3.12Å; E539-K543 WeakPolarHBondContact O-CG 3.11Å; E539-K543 PolarHBondContact O-N 3.4Å; E539-K543 WeakPolarHBondContact OE1-CE 3.18Å; E539-K543 IonicContact OE1-NZ 3.96Å; E539-K543 PolarHBondContact OE1-NZ 3.3Å |
| 540 | A | 76.2 | Confident | 72.6 | Confident | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L536 E538 R544 | L536-A540 PolarHBondContact O-N 3.25Å; E538-A540 VanDerWaalsContact C-N 3.31Å; E538-A540 PolarHBondContact O-N 2.85Å; A540-R544 VanDerWaalsContact O-CB 3.32Å; A540-R544 WeakPolarHBondContact O-CB 3.4Å; A540-R544 VanDerWaalsContact O-CG 3.24Å; A540-R544 WeakPolarHBondContact O-CG 3.36Å; A540-R544 PolarHBondContact O-N 3.43Å |
| 541 | A | 78.6 | Confident | 73.6 | Confident | 48 Ų | 48 | 110.3 Ų | 110.3 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q537 E538 E539 R544 K545 | Q537-A541 PolarHBondContact O-N 2.74Å; Q537-A541 VanDerWaalsContact O-N 3.08Å; E538-A541 CarbonylContact O-C 3.51Å; E538-A541 WeakPolarHBondContact O-CA 3.43Å; E538-A541 WeakPolarHBondContact O-CB 3.32Å; E538-A541 PolarHBondContact O-N 2.8Å; E538-A541 VanDerWaalsContact O-N 3.08Å; E539-A541 VanDerWaalsContact C-N 3.29Å; E539-A541 PolarHBondContact O-N 2.7Å; A541-R544 PolarHBondContact O-N 3.25Å; A541-K545 WeakPolarHBondContact O-CG 3.35Å; A541-K545 PolarHBondContact O-N 3.01Å |
| 542 | G | 75.8 | Confident | 74.5 | Confident | 5 Ų | 5 | 109.1 Ų | 109.1 | 5% | 0.052 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | E538 E539 K545 K546 | E538-G542 PolarHBondContact O-N 2.91Å; E539-G542 PolarHBondContact O-N 2.91Å; G542-K545 WeakPolarHBondContact O-CB 3.47Å; G542-K545 PolarHBondContact O-N 3.46Å; G542-K546 WeakPolarHBondContact O-CG 3.19Å; G542-K546 PolarHBondContact O-N 3.23Å |
| 543 | K | 77.2 | Confident | 75.6 | Confident | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 172.3 | -73.3 | 179.8 | -175.9 | 167.4 | 0 | 111.7 | E539 K545 K546 L547 | E539-K543 WeakPolarHBondContact O-CB 3.12Å; E539-K543 WeakPolarHBondContact O-CG 3.11Å; E539-K543 PolarHBondContact O-N 3.4Å; E539-K543 WeakPolarHBondContact OE1-CE 3.18Å; E539-K543 IonicContact OE1-NZ 3.96Å; E539-K543 PolarHBondContact OE1-NZ 3.3Å; K543-K545 PolarHBondContact O-N 3.34Å; K543-K546 PolarHBondContact O-N 2.66Å; K543-L547 VanDerWaalsContact O-CB 3.32Å; K543-L547 WeakPolarHBondContact O-CB 3.49Å; K543-L547 PolarHBondContact O-N 3.04Å |
| 544 | R | 81 | Confident | 76.8 | Confident | 180 Ų | 180 | 110.2 Ų | 110.2 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 173.4 | -79.5 | 176.3 | 176.2 | -162.4 | -0.2 | 112.1 | A540 A541 L547 R548 | A540-R544 VanDerWaalsContact O-CB 3.32Å; A540-R544 WeakPolarHBondContact O-CB 3.4Å; A540-R544 VanDerWaalsContact O-CG 3.24Å; A540-R544 WeakPolarHBondContact O-CG 3.36Å; A540-R544 PolarHBondContact O-N 3.43Å; A541-R544 PolarHBondContact O-N 3.25Å; R544-L547 PolarHBondContact O-N 3.05Å; R544-R548 WeakPolarHBondContact O-CG 3.44Å; R544-R548 PolarHBondContact O-N 2.88Å |
| 545 | K | 80.8 | Confident | 78.1 | Confident | 94 Ų | 94 | 106.7 Ų | 106.7 | 41% | 0.409 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 174.2 | -80.5 | -179.2 | 172.2 | -178.5 | 0 | 111.3 | E530 A541 G542 K543 L547 R548 K549 | E530-K545 IonicContact OE1-NZ 2.99Å; E530-K545 PolarHBondContact OE1-NZ 3.39Å; E530-K545 IonicContact OE2-NZ 3.1Å; E530-K545 PolarHBondContact OE2-NZ 2.94Å; A541-K545 WeakPolarHBondContact O-CG 3.35Å; A541-K545 PolarHBondContact O-N 3.01Å; G542-K545 WeakPolarHBondContact O-CB 3.47Å; G542-K545 PolarHBondContact O-N 3.46Å; K543-K545 PolarHBondContact O-N 3.34Å; K545-L547 VanDerWaalsContact C-N 3.34Å; K545-L547 PolarHBondContact O-N 3.36Å; K545-R548 WeakPolarHBondContact O-CB 3.46Å; K545-R548 PolarHBondContact O-N 3.13Å; K545-K549 WeakPolarHBondContact O-CG 3.16Å; K545-K549 PolarHBondContact O-N 3.28Å |
| 546 | K | 79 | Confident | 78.6 | Confident | 129 Ų | 129 | 104 Ų | 104 | 56% | 0.561 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.1 | -43.9 | 175.5 | -72.8 | -179.8 | -179.4 | -178.4 | 0 | 111.5 | G542 K543 R548 K549 L550 | G542-K546 WeakPolarHBondContact O-CG 3.19Å; G542-K546 PolarHBondContact O-N 3.23Å; K543-K546 PolarHBondContact O-N 2.66Å; K546-R548 PolarHBondContact O-N 2.95Å; K546-K549 WeakPolarHBondContact O-CB 3.25Å; K546-K549 PolarHBondContact O-N 2.9Å; K546-L550 WeakPolarHBondContact O-CG 3.48Å; K546-L550 PolarHBondContact O-N 2.78Å |
| 547 | L | 83.2 | Confident | 79.2 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | 176.1 | -172.9 | 66.8 | 0 | 0 | 0 | 111.8 | K543 R544 K545 L550 S551 | K543-L547 VanDerWaalsContact O-CB 3.32Å; K543-L547 WeakPolarHBondContact O-CB 3.49Å; K543-L547 PolarHBondContact O-N 3.04Å; R544-L547 PolarHBondContact O-N 3.05Å; K545-L547 VanDerWaalsContact C-N 3.34Å; K545-L547 PolarHBondContact O-N 3.36Å; L547-L550 PolarHBondContact O-N 2.81Å; L547-S551 VanDerWaalsContact O-CB 3.24Å; L547-S551 WeakPolarHBondContact O-CB 3.46Å; L547-S551 PolarHBondContact O-N 2.91Å |
| 548 | R | 82.3 | Confident | 79.9 | Confident | 183 Ų | 183 | 99 Ų | 99 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -46.2 | 172.5 | -76.4 | 178.6 | -173.2 | 179.7 | 1.5 | 111.7 | R544 K545 K546 L550 S551 T552 | R544-R548 WeakPolarHBondContact O-CG 3.44Å; R544-R548 PolarHBondContact O-N 2.88Å; K545-R548 WeakPolarHBondContact O-CB 3.46Å; K545-R548 PolarHBondContact O-N 3.13Å; K546-R548 PolarHBondContact O-N 2.95Å; R548-L550 PolarHBondContact O-N 2.88Å; R548-S551 WeakPolarHBondContact O-CB 3.47Å; R548-S551 PolarHBondContact O-N 3.3Å; R548-T552 PolarHBondContact O-N 3.35Å; R548-T552 PolarHBondContact O-OG1 2.82Å; R548-T552 VanDerWaalsContact O-OG1 3.06Å |
| 549 | K | 80.6 | Confident | 80.5 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.609 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58 | -47.9 | 175.5 | -70.2 | -178.1 | 178.6 | -173.9 | 0 | 111.3 | K545 K546 S551 T552 I553 | K545-K549 WeakPolarHBondContact O-CG 3.16Å; K545-K549 PolarHBondContact O-N 3.28Å; K546-K549 WeakPolarHBondContact O-CB 3.25Å; K546-K549 PolarHBondContact O-N 2.9Å; K549-S551 PolarHBondContact O-N 3.38Å; K549-T552 WeakPolarHBondContact O-CB 3.31Å; K549-T552 PolarHBondContact O-N 3.45Å; K549-I553 WeakPolarHBondContact O-CG1 3.34Å; K549-I553 PolarHBondContact O-N 3.09Å |
| 550 | L | 81.1 | Confident | 81.1 | Confident | 111 Ų | 111 | 95.1 Ų | 95.1 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 176.2 | -72.2 | 171.6 | 0 | 0 | 0 | 112.4 | K546 L547 R548 T552 I553 Y554 | K546-L550 WeakPolarHBondContact O-CG 3.48Å; K546-L550 PolarHBondContact O-N 2.78Å; L547-L550 PolarHBondContact O-N 2.81Å; R548-L550 PolarHBondContact O-N 2.88Å; L550-T552 VanDerWaalsContact C-N 3.34Å; L550-I553 PolarHBondContact O-N 3.28Å; L550-Y554 VanDerWaalsContact O-CB 3.3Å; L550-Y554 WeakPolarHBondContact O-CB 3.38Å; L550-Y554 PolarHBondContact O-N 2.96Å |
| 551 | S | 83.7 | Confident | 81.4 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 175.4 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | L547 R548 K549 Y554 L555 | L547-S551 VanDerWaalsContact O-CB 3.24Å; L547-S551 WeakPolarHBondContact O-CB 3.46Å; L547-S551 PolarHBondContact O-N 2.91Å; R548-S551 WeakPolarHBondContact O-CB 3.47Å; R548-S551 PolarHBondContact O-N 3.3Å; K549-S551 PolarHBondContact O-N 3.38Å; S551-Y554 PolarHBondContact O-N 3.47Å; S551-L555 VanDerWaalsContact O-CB 3.27Å; S551-L555 WeakPolarHBondContact O-CB 3.27Å; S551-L555 PolarHBondContact O-N 3.34Å |
| 552 | T | 81.9 | Confident | 81.7 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 174.1 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | R548 K549 L550 Y554 L555 Q556 | R548-T552 PolarHBondContact O-N 3.35Å; R548-T552 PolarHBondContact O-OG1 2.82Å; R548-T552 VanDerWaalsContact O-OG1 3.06Å; K549-T552 WeakPolarHBondContact O-CB 3.31Å; K549-T552 PolarHBondContact O-N 3.45Å; L550-T552 VanDerWaalsContact C-N 3.34Å; T552-Y554 VanDerWaalsContact C-N 3.35Å; T552-Y554 PolarHBondContact O-N 3.34Å; T552-L555 PolarHBondContact O-N 3.22Å; T552-Q556 WeakPolarHBondContact O-CB 3.41Å; T552-Q556 PolarHBondContact O-N 3.06Å |
| 553 | I | 81.7 | Confident | 81.9 | Confident | 104 Ų | 104 | 100 Ų | 100 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 177 | -65.8 | 164.2 | 0 | 0 | 0 | 110.7 | K549 L550 Q556 A557 | K549-I553 WeakPolarHBondContact O-CG1 3.34Å; K549-I553 PolarHBondContact O-N 3.09Å; L550-I553 PolarHBondContact O-N 3.28Å; I553-Q556 PolarHBondContact O-N 2.84Å; I553-A557 WeakPolarHBondContact O-CB 3.49Å; I553-A557 PolarHBondContact O-N 3.38Å |
| 554 | Y | 83.2 | Confident | 82 | Confident | 157 Ų | 157 | 98.6 Ų | 98.6 | 62% | 0.616 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 176.6 | 173.7 | -102.5 | 0 | 0 | 0 | 112 | L550 S551 T552 Q556 A557 K558 | L550-Y554 VanDerWaalsContact O-CB 3.3Å; L550-Y554 WeakPolarHBondContact O-CB 3.38Å; L550-Y554 PolarHBondContact O-N 2.96Å; S551-Y554 PolarHBondContact O-N 3.47Å; T552-Y554 VanDerWaalsContact C-N 3.35Å; T552-Y554 PolarHBondContact O-N 3.34Å; Y554-Q556 VanDerWaalsContact C-N 3.32Å; Y554-Q556 PolarHBondContact O-N 3.21Å; Y554-A557 PolarHBondContact O-N 3.12Å; Y554-K558 WeakPolarHBondContact O-CB 3.43Å; Y554-K558 PolarHBondContact O-N 3.47Å |
| 555 | L | 85.6 | Confident | 82 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177 | -174.4 | 63.4 | 0 | 0 | 0 | 111.5 | S551 T552 K558 S559 | S551-L555 VanDerWaalsContact O-CB 3.27Å; S551-L555 WeakPolarHBondContact O-CB 3.27Å; S551-L555 PolarHBondContact O-N 3.34Å; T552-L555 PolarHBondContact O-N 3.22Å; L555-K558 PolarHBondContact O-N 3.16Å; L555-S559 WeakPolarHBondContact O-CB 3.42Å; L555-S559 PolarHBondContact O-N 2.9Å |
| 556 | Q | 80.7 | Confident | 82.1 | Confident | 48 Ų | 48 | 94 Ų | 94 | 22% | 0.224 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 174.2 | -171.2 | -177.4 | -19.4 | 0 | 0 | 111.8 | P52 T552 I553 Y554 K558 S559 E560 | P52-Q556 HydrophobicContact CB-CB 4.11Å; P52-Q556 HydrophobicContact CB-CG 4.27Å; P52-Q556 VanDerWaalsContact CG-CA 3.49Å; P52-Q556 HydrophobicContact CG-CB 4Å; P52-Q556 HydrophobicContact CG-CG 4.26Å; T552-Q556 WeakPolarHBondContact O-CB 3.41Å; T552-Q556 PolarHBondContact O-N 3.06Å; I553-Q556 PolarHBondContact O-N 2.84Å; Y554-Q556 VanDerWaalsContact C-N 3.32Å; Y554-Q556 PolarHBondContact O-N 3.21Å; Q556-K558 VanDerWaalsContact C-N 3.28Å; Q556-K558 PolarHBondContact O-N 3.32Å; Q556-S559 PolarHBondContact O-N 2.72Å; Q556-E560 PolarHBondContact NE2-OE1 3.45Å; Q556-E560 VanDerWaalsContact NE2-OE1 3.17Å; Q556-E560 WeakPolarHBondContact O-CB 3.16Å; Q556-E560 WeakPolarHBondContact O-CG 3.12Å; Q556-E560 PolarHBondContact O-N 2.8Å |
| 557 | A | 80.8 | Confident | 82 | Confident | 50 Ų | 50 | 88.8 Ų | 88.8 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.1 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I553 Y554 E560 L561 | I553-A557 WeakPolarHBondContact O-CB 3.49Å; I553-A557 PolarHBondContact O-N 3.38Å; Y554-A557 PolarHBondContact O-N 3.12Å; A557-E560 PolarHBondContact O-N 2.89Å; A557-L561 WeakPolarHBondContact O-CB 3.08Å; A557-L561 PolarHBondContact O-N 3.46Å |
| 558 | K | 85.4 | Confident | 81.9 | Confident | 126 Ų | 126 | 88.1 Ų | 88.1 | 55% | 0.548 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 176.2 | -173.1 | -178.3 | 177.5 | -173.2 | 0 | 112.1 | Y554 L555 Q556 E560 L561 E562 | Y554-K558 WeakPolarHBondContact O-CB 3.43Å; Y554-K558 PolarHBondContact O-N 3.47Å; L555-K558 PolarHBondContact O-N 3.16Å; Q556-K558 VanDerWaalsContact C-N 3.28Å; Q556-K558 PolarHBondContact O-N 3.32Å; K558-E560 VanDerWaalsContact C-N 3.33Å; K558-L561 PolarHBondContact O-N 3.05Å; K558-E562 PolarHBondContact O-N 2.91Å |
| 559 | S | 83.1 | Confident | 81.9 | Confident | 15 Ų | 15 | 83 Ų | 83 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 175.9 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | D51 L555 Q556 E562 D563 | D51-S559 PolarHBondContact OD1-OG 2.7Å; L555-S559 WeakPolarHBondContact O-CB 3.42Å; L555-S559 PolarHBondContact O-N 2.9Å; Q556-S559 PolarHBondContact O-N 2.72Å; S559-E562 PolarHBondContact O-N 3.38Å; S559-D563 PolarHBondContact O-N 2.92Å |
| 560 | E | 81.3 | Confident | 81.6 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.3 | -76.1 | 174 | -167.9 | 0 | 0 | 112.8 | Q556 A557 K558 D563 M564 | Q556-E560 PolarHBondContact NE2-OE1 3.45Å; Q556-E560 VanDerWaalsContact NE2-OE1 3.17Å; Q556-E560 WeakPolarHBondContact O-CB 3.16Å; Q556-E560 WeakPolarHBondContact O-CG 3.12Å; Q556-E560 PolarHBondContact O-N 2.8Å; A557-E560 PolarHBondContact O-N 2.89Å; K558-E560 VanDerWaalsContact C-N 3.33Å; E560-D563 PolarHBondContact O-N 3.44Å; E560-M564 WeakPolarHBondContact O-CG 3.25Å; E560-M564 PolarHBondContact O-N 3.08Å |
| 561 | L | 83 | Confident | 81.3 | Confident | 96 Ų | 96 | 80.4 Ų | 80.4 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -40.9 | 178.1 | -166.7 | 156.6 | 0 | 0 | 0 | 111.5 | A557 K558 M564 K565 | A557-L561 WeakPolarHBondContact O-CB 3.08Å; A557-L561 PolarHBondContact O-N 3.46Å; K558-L561 PolarHBondContact O-N 3.05Å; L561-M564 PolarHBondContact O-N 3.43Å; L561-K565 HydrophobicContact CD2-CD 3.79Å; L561-K565 HydrophobicContact CD2-CG 4.24Å; L561-K565 WeakPolarHBondContact O-CG 3.4Å; L561-K565 PolarHBondContact O-N 3.17Å |
| 562 | E | 85.2 | Confident | 81 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 43% | 0.425 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 176.9 | -162.7 | 59.9 | -158.1 | 0 | 0 | 111.9 | K558 S559 M564 K565 N566 | K558-E562 PolarHBondContact O-N 2.91Å; S559-E562 PolarHBondContact O-N 3.38Å; E562-M564 VanDerWaalsContact C-N 3.34Å; E562-M564 PolarHBondContact O-N 3.16Å; E562-K565 WeakPolarHBondContact O-CB 3.35Å; E562-K565 PolarHBondContact O-N 3.04Å; E562-N566 VanDerWaalsContact O-CG 3.3Å; E562-N566 PolarHBondContact O-N 3.21Å; E562-N566 PolarHBondContact O-ND2 2.88Å |
| 563 | D | 79.1 | Confident | 80.9 | Confident | 15 Ų | 15 | 83.3 Ų | 83.3 | 8% | 0.08 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | 175.8 | -81.5 | -17.7 | 0 | 0 | 0 | 112.7 | R45 K54 S559 E560 N566 E567 | R45-D563 IonicContact CZ-OD1 3.73Å; R45-D563 IonicContact CZ-OD2 2.75Å; R45-D563 IonicContact NH1-OD1 3.8Å; R45-D563 IonicContact NH1-OD2 3.35Å; R45-D563 IonicContact NH2-OD1 2.57Å; R45-D563 PolarHBondContact NH2-OD1 3.35Å; R45-D563 IonicContact NH2-OD2 2.71Å; R45-D563 PolarHBondContact NH2-OD2 2.96Å; R45-D563 VanDerWaalsContact NH2-OD2 3.11Å; K54-D563 WeakPolarHBondContact CE-OD2 3.27Å; K54-D563 IonicContact NZ-OD2 2.63Å; K54-D563 PolarHBondContact NZ-OD2 3.39Å; S559-D563 PolarHBondContact O-N 2.92Å; E560-D563 PolarHBondContact O-N 3.44Å; D563-N566 PolarHBondContact O-N 3.36Å; D563-E567 WeakPolarHBondContact O-CB 3.3Å; D563-E567 PolarHBondContact O-N 2.71Å |
| 564 | M | 78.9 | Confident | 80.5 | Confident | 100 Ų | 100 | 79.7 Ų | 79.7 | 49% | 0.493 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 172.3 | -74.1 | -59.6 | -58.2 | 0 | 0 | 111.3 | R332 E560 L561 E562 E567 H568 | R332-M564 PolarHBondContact NH1-SD 3.04Å; E560-M564 WeakPolarHBondContact O-CG 3.25Å; E560-M564 PolarHBondContact O-N 3.08Å; L561-M564 PolarHBondContact O-N 3.43Å; E562-M564 VanDerWaalsContact C-N 3.34Å; E562-M564 PolarHBondContact O-N 3.16Å; M564-E567 PolarHBondContact O-N 2.98Å; M564-H568 VanDerWaalsContact O-CB 3.29Å; M564-H568 WeakPolarHBondContact O-CB 3.47Å; M564-H568 PolarHBondContact O-N 3.44Å |
| 565 | K | 82.4 | Confident | 80.1 | Confident | 111 Ų | 111 | 76.9 Ų | 76.9 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 174 | -75.4 | 173.4 | 173.2 | 167.7 | 0 | 111.5 | L561 E562 E567 H568 V569 | L561-K565 HydrophobicContact CD2-CD 3.79Å; L561-K565 HydrophobicContact CD2-CG 4.24Å; L561-K565 WeakPolarHBondContact O-CG 3.4Å; L561-K565 PolarHBondContact O-N 3.17Å; E562-K565 WeakPolarHBondContact O-CB 3.35Å; E562-K565 PolarHBondContact O-N 3.04Å; K565-E567 VanDerWaalsContact C-N 3.34Å; K565-E567 PolarHBondContact O-N 3.41Å; K565-H568 PolarHBondContact O-N 2.96Å; K565-V569 WeakPolarHBondContact O-CB 3.38Å; K565-V569 VanDerWaalsContact O-CG2 3.27Å; K565-V569 WeakPolarHBondContact O-CG2 3.48Å; K565-V569 PolarHBondContact O-N 2.87Å |
| 566 | N | 82 | Confident | 80 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 35% | 0.353 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 178.9 | -69.9 | -27 | 0 | 0 | 0 | 112.4 | E562 D563 R570 | E562-N566 VanDerWaalsContact O-CG 3.3Å; E562-N566 PolarHBondContact O-N 3.21Å; E562-N566 PolarHBondContact O-ND2 2.88Å; D563-N566 PolarHBondContact O-N 3.36Å; N566-R570 WeakPolarHBondContact O-CB 3.36Å; N566-R570 WeakPolarHBondContact O-CG 3.47Å; N566-R570 PolarHBondContact O-N 3.36Å; N566-R570 VanDerWaalsContact O-N 3.16Å; N566-R570 PolarHBondContact O-NE 2.82Å |
| 567 | E | 77 | Confident | 79.7 | Confident | 20 Ų | 20 | 78.5 Ų | 78.5 | 9% | 0.093 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 172.5 | -170.1 | 175.2 | -175.8 | 0 | 0 | 111.4 | R251 R332 D563 M564 K565 R570 E571 | R251-E567 IonicContact CZ-OE1 3.76Å; R251-E567 IonicContact NH2-OE1 3.49Å; R251-E567 PolarHBondContact NH2-OE1 3.2Å; R332-E567 IonicContact CZ-OE2 3.36Å; R332-E567 IonicContact NH1-OE2 2.71Å; R332-E567 PolarHBondContact NH1-OE2 3.35Å; D563-E567 WeakPolarHBondContact O-CB 3.3Å; D563-E567 PolarHBondContact O-N 2.71Å; M564-E567 PolarHBondContact O-N 2.98Å; K565-E567 VanDerWaalsContact C-N 3.34Å; K565-E567 PolarHBondContact O-N 3.41Å; E567-R570 PolarHBondContact O-N 3Å; E567-E571 WeakPolarHBondContact O-CG 3.42Å; E567-E571 PolarHBondContact O-N 3.17Å |
| 568 | H | 79.8 | Confident | 79.3 | Confident | 107 Ų | 107 | 78.2 Ų | 78.2 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 179.2 | -171.6 | -96.5 | 0 | 0 | 0 | 112.4 | M564 K565 R570 E571 M572 | M564-H568 VanDerWaalsContact O-CB 3.29Å; M564-H568 WeakPolarHBondContact O-CB 3.47Å; M564-H568 PolarHBondContact O-N 3.44Å; K565-H568 PolarHBondContact O-N 2.96Å; H568-R570 VanDerWaalsContact C-N 3.34Å; H568-R570 PolarHBondContact O-N 2.79Å; H568-E571 PolarHBondContact O-N 2.89Å; H568-M572 WeakPolarHBondContact O-CB 3.32Å; H568-M572 VanDerWaalsContact O-CG 3.23Å; H568-M572 WeakPolarHBondContact O-CG 3.48Å; H568-M572 PolarHBondContact O-N 2.63Å |
| 569 | V | 82.8 | Confident | 79.2 | Confident | 74 Ų | 74 | 76.3 Ų | 76.3 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 175 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | K565 E571 M572 E573 | K565-V569 WeakPolarHBondContact O-CB 3.38Å; K565-V569 VanDerWaalsContact O-CG2 3.27Å; K565-V569 WeakPolarHBondContact O-CG2 3.48Å; K565-V569 PolarHBondContact O-N 2.87Å; V569-E571 VanDerWaalsContact C-N 3.32Å; V569-E571 PolarHBondContact O-N 3.04Å; V569-M572 PolarHBondContact O-N 3.07Å; V569-E573 HydrophobicContact CG1-CG 4.38Å; V569-E573 WeakPolarHBondContact O-CG 3.43Å; V569-E573 PolarHBondContact O-N 2.91Å |
| 570 | R | 75.6 | Confident | 79.1 | Confident | 114 Ų | 114 | 80 Ų | 80 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.9 | -76.1 | 179.8 | -70.6 | -147.4 | 5 | 113.3 | N566 E567 H568 G574 | N566-R570 WeakPolarHBondContact O-CB 3.36Å; N566-R570 WeakPolarHBondContact O-CG 3.47Å; N566-R570 PolarHBondContact O-N 3.36Å; N566-R570 VanDerWaalsContact O-N 3.16Å; N566-R570 PolarHBondContact O-NE 2.82Å; E567-R570 PolarHBondContact O-N 3Å; H568-R570 VanDerWaalsContact C-N 3.34Å; H568-R570 PolarHBondContact O-N 2.79Å; R570-G574 PolarHBondContact O-N 3.3Å; R570-G574 VanDerWaalsContact O-N 3.12Å |
| 571 | E | 73.4 | Confident | 78.8 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 173.8 | -72.3 | 175.3 | -171.7 | 0 | 0 | 111.4 | R251 E567 H568 V569 G574 L575 | R251-E571 IonicContact CZ-OE1 3.64Å; R251-E571 VanDerWaalsContact NH1-CG 3.27Å; R251-E571 IonicContact NH1-OE1 3.68Å; R251-E571 IonicContact NH2-OE1 3.91Å; R251-E571 PolarHBondContact NH2-OE1 2.86Å; E567-E571 WeakPolarHBondContact O-CG 3.42Å; E567-E571 PolarHBondContact O-N 3.17Å; H568-E571 PolarHBondContact O-N 2.89Å; V569-E571 VanDerWaalsContact C-N 3.32Å; V569-E571 PolarHBondContact O-N 3.04Å; E571-G574 PolarHBondContact O-N 3.07Å; E571-L575 WeakPolarHBondContact O-CG 3.49Å; E571-L575 PolarHBondContact O-N 3.38Å |
| 572 | M | 78.8 | Confident | 78.6 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 179.2 | -67.3 | -66.3 | -90.5 | 0 | 0 | 111.6 | H568 V569 G574 L575 V576 | H568-M572 WeakPolarHBondContact O-CB 3.32Å; H568-M572 VanDerWaalsContact O-CG 3.23Å; H568-M572 WeakPolarHBondContact O-CG 3.48Å; H568-M572 PolarHBondContact O-N 2.63Å; V569-M572 PolarHBondContact O-N 3.07Å; M572-G574 PolarHBondContact O-N 2.84Å; M572-L575 PolarHBondContact O-N 3.35Å; M572-L575 HydrophobicContact SD-CD1 4.31Å; M572-V576 WeakPolarHBondContact O-CB 3.32Å; M572-V576 VanDerWaalsContact O-CG2 3.25Å; M572-V576 WeakPolarHBondContact O-CG2 3.44Å; M572-V576 PolarHBondContact O-N 3.39Å |
| 573 | E | 79.3 | Confident | 78.7 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 172.3 | -74.2 | 172.6 | 168.9 | 0 | 0 | 111.1 | V569 L575 V576 D577 | V569-E573 HydrophobicContact CG1-CG 4.38Å; V569-E573 WeakPolarHBondContact O-CG 3.43Å; V569-E573 PolarHBondContact O-N 2.91Å; E573-L575 VanDerWaalsContact C-N 3.34Å; E573-L575 PolarHBondContact O-N 3.2Å; E573-V576 PolarHBondContact O-N 3.25Å; E573-D577 PolarHBondContact O-N 2.96Å |
| 574 | G | 72.6 | Confident | 78.9 | Confident | 29 Ų | 29 | 88.4 Ų | 88.4 | 30% | 0.299 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R570 E571 M572 N578 | R570-G574 PolarHBondContact O-N 3.3Å; R570-G574 VanDerWaalsContact O-N 3.12Å; E571-G574 PolarHBondContact O-N 3.07Å; M572-G574 PolarHBondContact O-N 2.84Å; G574-N578 WeakPolarHBondContact O-CB 3.42Å; G574-N578 VanDerWaalsContact O-CG 3.25Å; G574-N578 PolarHBondContact O-N 3.12Å; G574-N578 VanDerWaalsContact O-N 3.11Å; G574-N578 PolarHBondContact O-ND2 3.09Å |
| 575 | L | 76.3 | Confident | 79 | Confident | 98 Ų | 98 | 85.3 Ų | 85.3 | 51% | 0.513 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 174.6 | -70.8 | 174.9 | 0 | 0 | 0 | 112 | E571 M572 E573 N578 I579 | E571-L575 WeakPolarHBondContact O-CG 3.49Å; E571-L575 PolarHBondContact O-N 3.38Å; M572-L575 PolarHBondContact O-N 3.35Å; M572-L575 HydrophobicContact SD-CD1 4.31Å; E573-L575 VanDerWaalsContact C-N 3.34Å; E573-L575 PolarHBondContact O-N 3.2Å; L575-N578 WeakPolarHBondContact O-CB 3.27Å; L575-N578 PolarHBondContact O-N 3.32Å; L575-I579 VanDerWaalsContact O-CG1 3.26Å; L575-I579 WeakPolarHBondContact O-CG1 3.27Å; L575-I579 PolarHBondContact O-N 2.96Å |
| 576 | V | 81.5 | Confident | 79.2 | Confident | 67 Ų | 67 | 85.5 Ų | 85.5 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177 | 169 | 0 | 0 | 0 | 0 | 111 | M572 E573 N578 I579 H580 | M572-V576 WeakPolarHBondContact O-CB 3.32Å; M572-V576 VanDerWaalsContact O-CG2 3.25Å; M572-V576 WeakPolarHBondContact O-CG2 3.44Å; M572-V576 PolarHBondContact O-N 3.39Å; E573-V576 PolarHBondContact O-N 3.25Å; V576-N578 VanDerWaalsContact C-N 3.31Å; V576-N578 PolarHBondContact O-N 2.87Å; V576-I579 PolarHBondContact O-N 2.98Å; V576-H580 WeakPolarHBondContact CG1-NE2 3.4Å; V576-H580 PolarHBondContact O-CD2 3.08Å; V576-H580 VanDerWaalsContact O-CD2 3.27Å; V576-H580 PolarHBondContact O-N 2.87Å |
| 577 | D | 75.4 | Confident | 79.6 | Confident | 102 Ų | 102 | 86.1 Ų | 86.1 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.3 | -77.3 | -19.7 | 0 | 0 | 0 | 111.8 | E573 H580 Q581 | E573-D577 PolarHBondContact O-N 2.96Å; D577-H580 PolarHBondContact O-N 3.32Å; D577-Q581 PolarHBondContact O-N 2.96Å |
| 578 | N | 73.4 | Confident | 80.1 | Confident | 45 Ų | 45 | 90.5 Ų | 90.5 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 174.5 | -78.1 | -23.9 | 0 | 0 | 0 | 112 | N266 G574 L575 V576 Q581 L582 | N266-N578 PolarHBondContact OD1-ND2 3.49Å; N266-N578 PolarHBondContact OD1-OD1 3.1Å; G574-N578 WeakPolarHBondContact O-CB 3.42Å; G574-N578 VanDerWaalsContact O-CG 3.25Å; G574-N578 PolarHBondContact O-N 3.12Å; G574-N578 VanDerWaalsContact O-N 3.11Å; G574-N578 PolarHBondContact O-ND2 3.09Å; L575-N578 WeakPolarHBondContact O-CB 3.27Å; L575-N578 PolarHBondContact O-N 3.32Å; V576-N578 VanDerWaalsContact C-N 3.31Å; V576-N578 PolarHBondContact O-N 2.87Å; N578-Q581 PolarHBondContact O-N 3.32Å; N578-L582 WeakPolarHBondContact O-CB 3.38Å; N578-L582 VanDerWaalsContact O-CG 3.3Å; N578-L582 WeakPolarHBondContact O-CG 3.37Å; N578-L582 PolarHBondContact O-N 2.98Å |
| 579 | I | 81.7 | Confident | 80.4 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 44% | 0.441 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 176.2 | -72.8 | 165 | 0 | 0 | 0 | 109.8 | L575 V576 Q581 L582 E583 | L575-I579 VanDerWaalsContact O-CG1 3.26Å; L575-I579 WeakPolarHBondContact O-CG1 3.27Å; L575-I579 PolarHBondContact O-N 2.96Å; V576-I579 PolarHBondContact O-N 2.98Å; I579-Q581 VanDerWaalsContact C-N 3.28Å; I579-Q581 PolarHBondContact O-N 2.93Å; I579-L582 PolarHBondContact O-N 3.35Å; I579-L582 VanDerWaalsContact O-N 3.15Å; I579-E583 HydrophobicContact CG2-CG 4.2Å; I579-E583 WeakPolarHBondContact O-CB 3.27Å; I579-E583 VanDerWaalsContact O-CG 3.31Å; I579-E583 WeakPolarHBondContact O-CG 3.3Å; I579-E583 PolarHBondContact O-N 3.24Å |
| 580 | H | 82.6 | Confident | 80.8 | Confident | 93 Ų | 93 | 89.8 Ų | 89.8 | 43% | 0.431 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -36.3 | 178.8 | -74.2 | -42.9 | 0 | 0 | 0 | 113.2 | V576 D577 E583 R584 | V576-H580 WeakPolarHBondContact CG1-NE2 3.4Å; V576-H580 PolarHBondContact O-CD2 3.08Å; V576-H580 VanDerWaalsContact O-CD2 3.27Å; V576-H580 PolarHBondContact O-N 2.87Å; D577-H580 PolarHBondContact O-N 3.32Å; H580-E583 IonicContact ND1-OE2 2.7Å; H580-E583 PolarHBondContact ND1-OE2 3.04Å; H580-R584 VanDerWaalsContact O-CG 3.28Å; H580-R584 WeakPolarHBondContact O-CG 3.5Å; H580-R584 PolarHBondContact O-N 3.38Å; H580-R584 VanDerWaalsContact O-N 3.13Å |
| 581 | Q | 74.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 89.1 Ų | 89.1 | 27% | 0.266 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71 | -42.1 | 174.5 | -81.4 | 171.1 | -18.4 | 0 | 0 | 112.4 | L262 D577 N578 I579 E583 R584 E585 | L262-Q581 HydrophobicContact CD2-CB 3.88Å; L262-Q581 HydrophobicContact CD2-CG 4.12Å; D577-Q581 PolarHBondContact O-N 2.96Å; N578-Q581 PolarHBondContact O-N 3.32Å; I579-Q581 VanDerWaalsContact C-N 3.28Å; I579-Q581 PolarHBondContact O-N 2.93Å; Q581-E583 VanDerWaalsContact C-N 3.34Å; Q581-R584 WeakPolarHBondContact O-CB 3.4Å; Q581-R584 PolarHBondContact O-N 3.38Å; Q581-E585 PolarHBondContact O-N 3.11Å |
| 582 | L | 79.2 | Confident | 82.3 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.9 | -72.7 | 172.1 | 0 | 0 | 0 | 111.5 | N578 I579 R584 E585 L586 | N578-L582 WeakPolarHBondContact O-CB 3.38Å; N578-L582 VanDerWaalsContact O-CG 3.3Å; N578-L582 WeakPolarHBondContact O-CG 3.37Å; N578-L582 PolarHBondContact O-N 2.98Å; I579-L582 PolarHBondContact O-N 3.35Å; I579-L582 VanDerWaalsContact O-N 3.15Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.37Å; L582-E585 PolarHBondContact O-N 2.57Å; L582-L586 VanDerWaalsContact O-CB 3.25Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 PolarHBondContact O-N 2.75Å |
| 583 | E | 85.9 | Confident | 82.7 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 173.8 | -75.3 | 175.6 | 159.1 | 0 | 0 | 111.5 | I579 H580 Q581 L586 T587 | I579-E583 HydrophobicContact CG2-CG 4.2Å; I579-E583 WeakPolarHBondContact O-CB 3.27Å; I579-E583 VanDerWaalsContact O-CG 3.31Å; I579-E583 WeakPolarHBondContact O-CG 3.3Å; I579-E583 PolarHBondContact O-N 3.24Å; H580-E583 IonicContact ND1-OE2 2.7Å; H580-E583 PolarHBondContact ND1-OE2 3.04Å; Q581-E583 VanDerWaalsContact C-N 3.34Å; E583-L586 PolarHBondContact O-N 2.89Å; E583-T587 WeakPolarHBondContact O-CB 3.5Å; E583-T587 PolarHBondContact O-N 2.86Å; E583-T587 PolarHBondContact O-OG1 3.31Å |
| 584 | R | 84 | Confident | 83.2 | Confident | 189 Ų | 189 | 85.7 Ų | 85.7 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 175.1 | -73.6 | 172.5 | -176.4 | -173.4 | 3.8 | 112.2 | H580 Q581 L582 R588 | H580-R584 VanDerWaalsContact O-CG 3.28Å; H580-R584 WeakPolarHBondContact O-CG 3.5Å; H580-R584 PolarHBondContact O-N 3.38Å; H580-R584 VanDerWaalsContact O-N 3.13Å; Q581-R584 WeakPolarHBondContact O-CB 3.4Å; Q581-R584 PolarHBondContact O-N 3.38Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.37Å; R584-R588 PolarHBondContact O-N 3.4Å |
| 585 | E | 81.3 | Confident | 84.1 | Confident | 36 Ų | 36 | 94.5 Ų | 94.5 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.2 | -75.9 | -164.7 | 169.5 | 0 | 0 | 112 | Q263 Q581 L582 R588 Y589 | Q263-E585 PolarHBondContact NE2-OE1 2.81Å; Q263-E585 PolarHBondContact NE2-OE2 2.84Å; Q581-E585 PolarHBondContact O-N 3.11Å; L582-E585 PolarHBondContact O-N 2.57Å; E585-R588 WeakPolarHBondContact O-CB 3.48Å; E585-R588 PolarHBondContact O-N 3.06Å; E585-R588 VanDerWaalsContact O-N 3.14Å; E585-Y589 HydrophobicContact CB-CE2 4.38Å; E585-Y589 WeakPolarHBondContact O-CD2 3.44Å; E585-Y589 PolarHBondContact O-N 2.88Å |
| 586 | L | 86.4 | Confident | 84.8 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 60% | 0.597 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.5 | -47.7 | 176.7 | -169.9 | 147.3 | 0 | 0 | 0 | 109.9 | L582 E583 R588 Y589 T590 | L582-L586 VanDerWaalsContact O-CB 3.25Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 PolarHBondContact O-N 2.75Å; E583-L586 PolarHBondContact O-N 2.89Å; L586-R588 VanDerWaalsContact C-N 3.26Å; L586-R588 PolarHBondContact O-N 3.47Å; L586-Y589 PolarHBondContact O-N 2.94Å; L586-Y589 VanDerWaalsContact O-N 3.08Å; L586-T590 WeakPolarHBondContact O-CB 3.45Å; L586-T590 PolarHBondContact O-N 3.24Å; L586-T590 PolarHBondContact O-OG1 3.33Å |
| 587 | T | 90.5 | Very high | 85.1 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 49% | 0.485 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55.5 | -42.1 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | E583 L591 | E583-T587 WeakPolarHBondContact O-CB 3.5Å; E583-T587 PolarHBondContact O-N 2.86Å; E583-T587 PolarHBondContact O-OG1 3.31Å; T587-L591 HydrophobicContact CG2-CD1 4.3Å; T587-L591 WeakPolarHBondContact O-CB 3.4Å; T587-L591 VanDerWaalsContact O-CG 3.25Å; T587-L591 WeakPolarHBondContact O-CG 3.41Å; T587-L591 PolarHBondContact O-N 2.84Å |
| 588 | R | 88.2 | Confident | 85.8 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 42% | 0.423 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 176.2 | -174.5 | -173.7 | 64.1 | 77.3 | 0.8 | 112.2 | R584 E585 L586 L591 I592 | R584-R588 PolarHBondContact O-N 3.4Å; E585-R588 WeakPolarHBondContact O-CB 3.48Å; E585-R588 PolarHBondContact O-N 3.06Å; E585-R588 VanDerWaalsContact O-N 3.14Å; L586-R588 VanDerWaalsContact C-N 3.26Å; L586-R588 PolarHBondContact O-N 3.47Å; R588-L591 PolarHBondContact O-N 2.86Å; R588-I592 HydrophobicContact CG-CD1 4.39Å; R588-I592 WeakPolarHBondContact O-CG1 3.31Å; R588-I592 PolarHBondContact O-N 2.89Å; R588-I592 VanDerWaalsContact O-N 3.08Å |
| 589 | Y | 86 | Confident | 86.5 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 177.4 | -72.8 | -56.1 | 0 | 0 | 0 | 111.7 | E585 L586 L591 I592 I593 | E585-Y589 HydrophobicContact CB-CE2 4.38Å; E585-Y589 WeakPolarHBondContact O-CD2 3.44Å; E585-Y589 PolarHBondContact O-N 2.88Å; L586-Y589 PolarHBondContact O-N 2.94Å; L586-Y589 VanDerWaalsContact O-N 3.08Å; Y589-L591 VanDerWaalsContact C-N 3.33Å; Y589-L591 PolarHBondContact O-N 3.33Å; Y589-I592 PolarHBondContact O-N 3.39Å; Y589-I592 VanDerWaalsContact O-N 3.1Å; Y589-I593 WeakPolarHBondContact O-CG1 3.4Å; Y589-I593 PolarHBondContact O-N 2.9Å |
| 590 | T | 90.4 | Very high | 86.9 | Confident | 58 Ų | 58 | 100 Ų | 100 | 36% | 0.356 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57 | -46.2 | 173.4 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | L586 I592 I593 D594 | L586-T590 WeakPolarHBondContact O-CB 3.45Å; L586-T590 PolarHBondContact O-N 3.24Å; L586-T590 PolarHBondContact O-OG1 3.33Å; T590-I592 VanDerWaalsContact C-N 3.31Å; T590-I592 PolarHBondContact O-N 3.38Å; T590-I593 PolarHBondContact O-N 3.48Å; T590-D594 WeakPolarHBondContact O-CB 3.35Å; T590-D594 VanDerWaalsContact O-CG 3.26Å; T590-D594 PolarHBondContact O-N 2.89Å |
| 591 | L | 92.1 | Very high | 87.1 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 175.1 | -77.2 | 169.7 | 0 | 0 | 0 | 113.4 | T587 R588 Y589 R595 | T587-L591 HydrophobicContact CG2-CD1 4.3Å; T587-L591 WeakPolarHBondContact O-CB 3.4Å; T587-L591 VanDerWaalsContact O-CG 3.25Å; T587-L591 WeakPolarHBondContact O-CG 3.41Å; T587-L591 PolarHBondContact O-N 2.84Å; R588-L591 PolarHBondContact O-N 2.86Å; Y589-L591 VanDerWaalsContact C-N 3.33Å; Y589-L591 PolarHBondContact O-N 3.33Å; L591-R595 WeakPolarHBondContact O-CB 3.48Å; L591-R595 WeakPolarHBondContact O-CG 3.26Å; L591-R595 PolarHBondContact O-N 3.48Å |
| 592 | I | 88.6 | Confident | 87.6 | Confident | 71 Ų | 71 | 101 Ų | 101 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.5 | -46.9 | 175.6 | -68.5 | 166.5 | 0 | 0 | 0 | 110 | R588 Y589 T590 D594 R595 F596 | R588-I592 HydrophobicContact CG-CD1 4.39Å; R588-I592 WeakPolarHBondContact O-CG1 3.31Å; R588-I592 PolarHBondContact O-N 2.89Å; R588-I592 VanDerWaalsContact O-N 3.08Å; Y589-I592 PolarHBondContact O-N 3.39Å; Y589-I592 VanDerWaalsContact O-N 3.1Å; T590-I592 VanDerWaalsContact C-N 3.31Å; T590-I592 PolarHBondContact O-N 3.38Å; I592-D594 VanDerWaalsContact C-N 3.34Å; I592-D594 PolarHBondContact O-N 3.49Å; I592-R595 PolarHBondContact O-N 2.9Å; I592-F596 HydrophobicContact CG2-CD2 3.94Å; I592-F596 HydrophobicContact CG2-CE2 4.49Å; I592-F596 WeakPolarHBondContact O-CB 3.19Å; I592-F596 WeakPolarHBondContact O-CD2 3.49Å; I592-F596 PolarHBondContact O-N 3.12Å |
| 593 | I | 88 | Confident | 88 | Confident | 73 Ų | 73 | 98.9 Ų | 98.9 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 179.1 | -69.8 | 165.2 | 0 | 0 | 0 | 110.1 | Y589 T590 R595 F596 I597 Q602 | Y589-I593 WeakPolarHBondContact O-CG1 3.4Å; Y589-I593 PolarHBondContact O-N 2.9Å; T590-I593 PolarHBondContact O-N 3.48Å; I593-R595 VanDerWaalsContact C-N 3.29Å; I593-R595 PolarHBondContact O-N 3.45Å; I593-F596 PolarHBondContact O-N 3.27Å; I593-I597 HydrophobicContact CG2-CD1 4.46Å; I593-I597 WeakPolarHBondContact O-CA 3.4Å; I593-I597 WeakPolarHBondContact O-CB 3.24Å; I593-I597 PolarHBondContact O-N 3.18Å; I593-Q602 HydrophobicContact CG2-CG 4Å; I593-Q602 PolarHBondContact O-NE2 3.33Å |
| 594 | D | 89.8 | Confident | 88 | Confident | 81 Ų | 81 | 98.7 Ų | 98.7 | 43% | 0.433 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -30.1 | -179.6 | -71 | -21.7 | 0 | 0 | 0 | 113.9 | T590 I592 Q602 | T590-D594 WeakPolarHBondContact O-CB 3.35Å; T590-D594 VanDerWaalsContact O-CG 3.26Å; T590-D594 PolarHBondContact O-N 2.89Å; I592-D594 VanDerWaalsContact C-N 3.34Å; I592-D594 PolarHBondContact O-N 3.49Å; D594-Q602 PolarHBondContact OD1-NE2 2.83Å |
| 595 | R | 91 | Very high | 88 | Confident | 214 Ų | 214 | 93 Ų | 93 | 81% | 0.808 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -88.5 | -31.4 | -179.4 | -69.4 | -66.3 | -174.8 | -174.6 | -0.6 | 113.8 | L591 I592 I593 | L591-R595 WeakPolarHBondContact O-CB 3.48Å; L591-R595 WeakPolarHBondContact O-CG 3.26Å; L591-R595 PolarHBondContact O-N 3.48Å; I592-R595 PolarHBondContact O-N 2.9Å; I593-R595 VanDerWaalsContact C-N 3.29Å; I593-R595 PolarHBondContact O-N 3.45Å |
| 596 | F | 90.8 | Very high | 88.2 | Confident | 167 Ų | 167 | 98.2 Ų | 98.2 | 73% | 0.732 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -106.4 | -22.7 | -173 | -73.4 | -89.4 | 0 | 0 | 0 | 114.1 | I592 I593 | I592-F596 HydrophobicContact CG2-CD2 3.94Å; I592-F596 HydrophobicContact CG2-CE2 4.49Å; I592-F596 WeakPolarHBondContact O-CB 3.19Å; I592-F596 WeakPolarHBondContact O-CD2 3.49Å; I592-F596 PolarHBondContact O-N 3.12Å; I593-F596 PolarHBondContact O-N 3.27Å |
| 597 | I | 87.5 | Confident | 88.1 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 28% | 0.277 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -116.2 | 113.3 | -178.2 | -51.8 | 179.4 | 0 | 0 | 0 | 108.5 | I593 Q602 I605 | I593-I597 HydrophobicContact CG2-CD1 4.46Å; I593-I597 WeakPolarHBondContact O-CA 3.4Å; I593-I597 WeakPolarHBondContact O-CB 3.24Å; I593-I597 PolarHBondContact O-N 3.18Å; I597-Q602 HydrophobicContact CB-CG 3.89Å; I597-Q602 HydrophobicContact CG2-CB 4.47Å; I597-Q602 HydrophobicContact CG2-CG 3.55Å; I597-Q602 PolarHBondContact O-NE2 3.35Å; I597-I605 HydrophobicContact CD1-CD1 4.46Å; I597-I605 HydrophobicContact CG2-CD1 4.35Å |
| 598 | P | 90.7 | Very high | 87.8 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | trans | -61 | 143.5 | 175.4 | -19.7 | 29.7 | 0 | 0 | 0 | 111.8 | P600 Y601 Q602 | P598-P600 VanDerWaalsContact O-N 3.14Å; P598-Y601 HydrophobicContact CB-CD2 3.93Å; P598-Y601 HydrophobicContact CG-CD2 3.9Å; P598-Y601 HydrophobicContact CG-CE2 4.32Å; P598-Y601 WeakPolarHBondContact O-CB 3.32Å; P598-Y601 PolarHBondContact O-N 3.42Å; P598-Q602 PolarHBondContact O-N 2.83Å; P598-Q602 VanDerWaalsContact O-N 3.13Å | ||
| 599 | Q | 88 | Confident | 87.8 | Confident | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -46.8 | -42.5 | -175.9 | -74.8 | -67.6 | -34.2 | 0 | 0 | 115.6 | Y601 Q602 A603 | Q599-Y601 VanDerWaalsContact C-N 3.29Å; Q599-Y601 PolarHBondContact O-N 3.38Å; Q599-Q602 VanDerWaalsContact NE2-OE1 3.13Å; Q599-Q602 WeakPolarHBondContact O-CB 3.43Å; Q599-Q602 PolarHBondContact O-N 2.84Å; Q599-A603 PolarHBondContact O-N 3.04Å; Q599-A603 VanDerWaalsContact O-N 3.1Å |
| 600 | P | 89.5 | Confident | 87.7 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.1 | -34.4 | 177 | -22.7 | 33.7 | 0 | 0 | 0 | 113.6 | P598 L604 | P598-P600 VanDerWaalsContact O-N 3.14Å; P600-L604 PolarHBondContact O-N 2.57Å |
| 601 | Y | 86.2 | Confident | 87.3 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -78.6 | -30.4 | 177.3 | -64.5 | -72.1 | 0 | 0 | 0 | 112 | P598 Q599 L604 I605 | P598-Y601 HydrophobicContact CB-CD2 3.93Å; P598-Y601 HydrophobicContact CG-CD2 3.9Å; P598-Y601 HydrophobicContact CG-CE2 4.32Å; P598-Y601 WeakPolarHBondContact O-CB 3.32Å; P598-Y601 PolarHBondContact O-N 3.42Å; Q599-Y601 VanDerWaalsContact C-N 3.29Å; Q599-Y601 PolarHBondContact O-N 3.38Å; Y601-L604 PolarHBondContact O-N 2.87Å; Y601-I605 VanDerWaalsContact O-CG1 3.26Å; Y601-I605 WeakPolarHBondContact O-CG1 3.5Å; Y601-I605 PolarHBondContact O-N 3.27Å |
| 602 | Q | 86 | Confident | 86.5 | Confident | 21 Ų | 21 | 96.9 Ų | 96.9 | 10% | 0.098 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60.4 | -51 | 171.8 | -61.6 | -174.7 | 12.2 | 0 | 0 | 110.2 | I593 D594 I597 P598 Q599 L604 I605 E606 | I593-Q602 HydrophobicContact CG2-CG 4Å; I593-Q602 PolarHBondContact O-NE2 3.33Å; D594-Q602 PolarHBondContact OD1-NE2 2.83Å; I597-Q602 HydrophobicContact CB-CG 3.89Å; I597-Q602 HydrophobicContact CG2-CB 4.47Å; I597-Q602 HydrophobicContact CG2-CG 3.55Å; I597-Q602 PolarHBondContact O-NE2 3.35Å; P598-Q602 PolarHBondContact O-N 2.83Å; P598-Q602 VanDerWaalsContact O-N 3.13Å; Q599-Q602 VanDerWaalsContact NE2-OE1 3.13Å; Q599-Q602 WeakPolarHBondContact O-CB 3.43Å; Q599-Q602 PolarHBondContact O-N 2.84Å; Q602-L604 VanDerWaalsContact C-N 3.3Å; Q602-L604 PolarHBondContact O-N 3.3Å; Q602-I605 PolarHBondContact O-N 2.9Å; Q602-I605 VanDerWaalsContact O-N 3.09Å; Q602-E606 WeakPolarHBondContact O-CG 3.37Å; Q602-E606 PolarHBondContact O-N 3.26Å |
| 603 | A | 87.4 | Confident | 85.6 | Confident | 53 Ų | 53 | 100.7 Ų | 100.7 | 44% | 0.438 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q599 I605 E606 E607 | Q599-A603 PolarHBondContact O-N 3.04Å; Q599-A603 VanDerWaalsContact O-N 3.1Å; A603-I605 VanDerWaalsContact C-N 3.33Å; A603-I605 PolarHBondContact O-N 2.8Å; A603-E606 PolarHBondContact O-N 3.46Å; A603-E607 WeakPolarHBondContact O-CB 3.03Å; A603-E607 PolarHBondContact O-N 3.3Å |
| 604 | L | 85.6 | Confident | 84.1 | Confident | 99 Ų | 99 | 103 Ų | 103 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.5 | -165.7 | 102.7 | 0 | 0 | 0 | 112.3 | P600 Y601 Q602 N608 | P600-L604 PolarHBondContact O-N 2.57Å; Y601-L604 PolarHBondContact O-N 2.87Å; Q602-L604 VanDerWaalsContact C-N 3.3Å; Q602-L604 PolarHBondContact O-N 3.3Å; L604-N608 PolarHBondContact O-N 3.22Å; L604-N608 PolarHBondContact O-ND2 3.06Å |
| 605 | I | 84.5 | Confident | 82.9 | Confident | 69 Ų | 69 | 102.6 Ų | 102.6 | 35% | 0.354 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 176.5 | -68.6 | 164.1 | 0 | 0 | 0 | 109.6 | I597 Y601 Q602 A603 E607 N608 V609 | I597-I605 HydrophobicContact CD1-CD1 4.46Å; I597-I605 HydrophobicContact CG2-CD1 4.35Å; Y601-I605 VanDerWaalsContact O-CG1 3.26Å; Y601-I605 WeakPolarHBondContact O-CG1 3.5Å; Y601-I605 PolarHBondContact O-N 3.27Å; Q602-I605 PolarHBondContact O-N 2.9Å; Q602-I605 VanDerWaalsContact O-N 3.09Å; A603-I605 VanDerWaalsContact C-N 3.33Å; A603-I605 PolarHBondContact O-N 2.8Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 3.48Å; I605-N608 PolarHBondContact O-N 3.34Å; I605-V609 HydrophobicContact CG2-CG2 3.79Å; I605-V609 WeakPolarHBondContact O-CB 3.49Å; I605-V609 WeakPolarHBondContact O-CG2 3.5Å; I605-V609 PolarHBondContact O-N 2.87Å |
| 606 | E | 84.7 | Confident | 81.5 | Confident | 147 Ų | 147 | 94.1 Ų | 94.1 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.3 | -38.5 | -179.8 | -71.5 | 179 | 169.7 | 0 | 0 | 112.6 | Q602 A603 N608 | Q602-E606 WeakPolarHBondContact O-CG 3.37Å; Q602-E606 PolarHBondContact O-N 3.26Å; A603-E606 PolarHBondContact O-N 3.46Å; E606-N608 VanDerWaalsContact C-N 3.32Å; E606-N608 PolarHBondContact O-N 2.98Å |
| 607 | E | 85.5 | Confident | 80.8 | Confident | 162 Ų | 162 | 92 Ų | 92 | 76% | 0.757 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -68.5 | -28.4 | 177.4 | -169.4 | 179.1 | -174.9 | 0 | 0 | 113.2 | A603 I605 | A603-E607 WeakPolarHBondContact O-CB 3.03Å; A603-E607 PolarHBondContact O-N 3.3Å; I605-E607 VanDerWaalsContact C-N 3.28Å; I605-E607 PolarHBondContact O-N 3.48Å |
| 608 | N | 84 | Confident | 80.5 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -103 | -2.2 | -174 | -74 | -80.4 | 0 | 0 | 0 | 114.2 | L604 I605 E606 L620 | L604-N608 PolarHBondContact O-N 3.22Å; L604-N608 PolarHBondContact O-ND2 3.06Å; I605-N608 PolarHBondContact O-N 3.34Å; E606-N608 VanDerWaalsContact C-N 3.32Å; E606-N608 PolarHBondContact O-N 2.98Å; N608-L620 HydrophobicContact CB-CD1 3.62Å |
| 609 | V | 87.3 | Confident | 80 | Confident | 39 Ų | 39 | 98.2 Ų | 98.2 | 24% | 0.236 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.3 | 178.7 | 163.2 | 0 | 0 | 0 | 0 | 110.3 | I605 W618 L620 | I605-V609 HydrophobicContact CG2-CG2 3.79Å; I605-V609 WeakPolarHBondContact O-CB 3.49Å; I605-V609 WeakPolarHBondContact O-CG2 3.5Å; I605-V609 PolarHBondContact O-N 2.87Å; V609-W618 HydrophobicContact CG1-CB 3.85Å; V609-W618 HydrophobicContact CG1-CD2 3.8Å; V609-W618 HydrophobicContact CG1-CE3 3.2Å; V609-W618 HydrophobicContact CG1-CG 4.12Å; V609-W618 HydrophobicContact CG1-CZ3 3.9Å; V609-L620 HydrophobicContact CG2-CB 3.97Å; V609-L620 HydrophobicContact CG2-CD1 3.73Å; V609-L620 HydrophobicContact CG2-CG 4.45Å |
| 610 | Q | 83.6 | Confident | 79.6 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.4 | 178.6 | -167.8 | 168.8 | 4.8 | 0 | 0 | 110.2 | N612 Q619 | Q610-N612 PolarHBondContact O-N 3.42Å; Q610-Q619 PolarHBondContact N-O 3.42Å; Q610-Q619 PolarHBondContact O-N 3.48Å |
| 611 | W | 83.5 | Confident | 78.7 | Confident | 116 Ų | 116 | 97.1 Ų | 97.1 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.8 | 174.4 | -179.6 | -109.2 | 0 | 0 | 0 | 109.9 | G616 W618 | W611-G616 WeakPolarHBondContact CH2-O 3.34Å; W611-W618 HydrophobicContact CB-CD2 4.34Å; W611-W618 HydrophobicContact CB-CE3 3.79Å; W611-W618 HydrophobicContact CB-CH2 4.19Å; W611-W618 HydrophobicContact CB-CZ3 3.75Å; W611-W618 HydrophobicContact CE3-CB 4.44Å; W611-W618 AromaticContact CE3-CD1 3.67Å; W611-W618 AromaticContact CE3-CD2 3.65Å; W611-W618 HydrophobicContact CE3-CD2 3.65Å; W611-W618 AromaticContact CE3-CE2 3.71Å; W611-W618 HydrophobicContact CE3-CE3 4.26Å; W611-W618 AromaticContact CE3-CG 3.68Å; W611-W618 HydrophobicContact CE3-CG 3.68Å; W611-W618 HydrophobicContact CE3-CZ2 4.42Å; W611-W618 AromaticContact CE3-NE1 3.66Å; W611-W618 AromaticContact CZ3-CD1 3.64Å; W611-W618 HydrophobicContact CZ3-CD2 4.4Å; W611-W618 HydrophobicContact CZ3-CG 4.05Å; W611-W618 AromaticContact CZ3-NE1 3.76Å |
| 612 | N | 74.9 | Confident | 77.8 | Confident | 37 Ų | 37 | 94.2 Ų | 94.2 | 20% | 0.198 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 105 | 174 | -172 | -36.2 | 0 | 0 | 0 | 109.3 | Q610 D614 I615 G616 E617 Q619 | Q610-N612 PolarHBondContact O-N 3.42Å; N612-D614 PolarHBondContact O-N 3.49Å; N612-D614 WeakPolarHBondContact OD1-CB 3.48Å; N612-D614 PolarHBondContact OD1-N 3.03Å; N612-I615 PolarHBondContact O-N 3.23Å; N612-I615 PolarHBondContact OD1-N 3.45Å; N612-G616 WeakPolarHBondContact O-CA 3.46Å; N612-G616 PolarHBondContact O-N 2.93Å; N612-E617 PolarHBondContact N-O 2.82Å; N612-E617 PolarHBondContact O-N 2.8Å; N612-Q619 HydrophobicContact CB-CG 4.07Å; N612-Q619 PolarHBondContact ND2-OE1 3.26Å |
| 613 | E | 69.5 | Low | 76.8 | Confident | 152 Ų | 152 | 96.1 Ų | 96.1 | 71% | 0.71 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.3 | -179.1 | -68.8 | -168.5 | 166.7 | 0 | 0 | 113.8 | ||
| 614 | D | 57.2 | Low | 75.5 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -38.1 | -176.2 | -67.6 | -38.2 | 0 | 0 | 0 | 112.2 | N612 | N612-D614 PolarHBondContact O-N 3.49Å; N612-D614 WeakPolarHBondContact OD1-CB 3.48Å; N612-D614 PolarHBondContact OD1-N 3.03Å |
| 615 | I | 64.5 | Low | 74.5 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -29.7 | -176.4 | -51.7 | 171.9 | 0 | 0 | 0 | 110.2 | N612 E617 Q619 | N612-I615 PolarHBondContact O-N 3.23Å; N612-I615 PolarHBondContact OD1-N 3.45Å; I615-E617 HydrophobicContact CG2-CB 4.37Å; I615-E617 HydrophobicContact CG2-CG 4.18Å; I615-Q619 VanDerWaalsContact CD1-NE2 3.34Å |
| 616 | G | 61.4 | Low | 73.5 | Confident | 37 Ų | 37 | 100.2 Ų | 100.2 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 33.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W611 N612 | W611-G616 WeakPolarHBondContact CH2-O 3.34Å; N612-G616 WeakPolarHBondContact O-CA 3.46Å; N612-G616 PolarHBondContact O-N 2.93Å |
| 617 | E | 76.1 | Confident | 72.5 | Confident | 121 Ų | 121 | 95.9 Ų | 95.9 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.7 | -176.8 | -65.8 | -174.9 | 167.7 | 0 | 0 | 111.5 | N612 I615 | N612-E617 PolarHBondContact N-O 2.82Å; N612-E617 PolarHBondContact O-N 2.8Å; I615-E617 HydrophobicContact CG2-CB 4.37Å; I615-E617 HydrophobicContact CG2-CG 4.18Å |
| 618 | W | 80.9 | Confident | 71.5 | Confident | 176 Ų | 176 | 94.9 Ų | 94.9 | 67% | 0.667 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.3 | 170.6 | -71.4 | 104.8 | 0 | 0 | 0 | 110.2 | V609 W611 | V609-W618 HydrophobicContact CG1-CB 3.85Å; V609-W618 HydrophobicContact CG1-CD2 3.8Å; V609-W618 HydrophobicContact CG1-CE3 3.2Å; V609-W618 HydrophobicContact CG1-CG 4.12Å; V609-W618 HydrophobicContact CG1-CZ3 3.9Å; W611-W618 HydrophobicContact CB-CD2 4.34Å; W611-W618 HydrophobicContact CB-CE3 3.79Å; W611-W618 HydrophobicContact CB-CH2 4.19Å; W611-W618 HydrophobicContact CB-CZ3 3.75Å; W611-W618 HydrophobicContact CE3-CB 4.44Å; W611-W618 AromaticContact CE3-CD1 3.67Å; W611-W618 AromaticContact CE3-CD2 3.65Å; W611-W618 HydrophobicContact CE3-CD2 3.65Å; W611-W618 AromaticContact CE3-CE2 3.71Å; W611-W618 HydrophobicContact CE3-CE3 4.26Å; W611-W618 AromaticContact CE3-CG 3.68Å; W611-W618 HydrophobicContact CE3-CG 3.68Å; W611-W618 HydrophobicContact CE3-CZ2 4.42Å; W611-W618 AromaticContact CE3-NE1 3.66Å; W611-W618 AromaticContact CZ3-CD1 3.64Å; W611-W618 HydrophobicContact CZ3-CD2 4.4Å; W611-W618 HydrophobicContact CZ3-CG 4.05Å; W611-W618 AromaticContact CZ3-NE1 3.76Å |
| 619 | Q | 79.2 | Confident | 70.4 | Confident | 84 Ų | 84 | 96 Ų | 96 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122 | 179.2 | -65.4 | -171.6 | -33.7 | 0 | 0 | 110.6 | Q610 N612 I615 | Q610-Q619 PolarHBondContact N-O 3.42Å; Q610-Q619 PolarHBondContact O-N 3.48Å; N612-Q619 HydrophobicContact CB-CG 4.07Å; N612-Q619 PolarHBondContact ND2-OE1 3.26Å; I615-Q619 VanDerWaalsContact CD1-NE2 3.34Å |
| 620 | L | 79.6 | Confident | 69 | Low | 62 Ų | 62 | 100.1 Ų | 100.1 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.3 | 168.5 | 179.2 | 72.7 | 0 | 0 | 0 | 108.5 | N608 V609 V623 | N608-L620 HydrophobicContact CB-CD1 3.62Å; V609-L620 HydrophobicContact CG2-CB 3.97Å; V609-L620 HydrophobicContact CG2-CD1 3.73Å; V609-L620 HydrophobicContact CG2-CG 4.45Å; L620-V623 HydrophobicContact CB-CG2 3.46Å; L620-V623 VanDerWaalsContact CB-CG2 3.46Å; L620-V623 HydrophobicContact CD2-CG2 3.49Å; L620-V623 VanDerWaalsContact CD2-CG2 3.49Å; L620-V623 HydrophobicContact CG-CG2 3.65Å; L620-V623 VanDerWaalsContact O-CG2 3.27Å; L620-V623 WeakPolarHBondContact O-CG2 3.43Å |
| 621 | K | 71.6 | Confident | 67.7 | Low | 135 Ų | 135 | 102.8 Ų | 102.8 | 59% | 0.587 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 146.3 | 176.2 | -70.7 | -179.7 | -177.8 | 166.8 | 0 | 110.1 | V623 | K621-V623 VanDerWaalsContact C-N 3.26Å; K621-V623 PolarHBondContact O-N 2.85Å; K621-V623 VanDerWaalsContact O-N 3.17Å |
| 622 | C | 67.2 | Low | 66.4 | Low | 87 Ų | 87 | 106 Ų | 106 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 18.9 | 173.5 | -60 | 0 | 0 | 0 | 0 | 116.5 | A624 Y625 | C622-A624 PolarHBondContact O-N 3.37Å; C622-A624 VanDerWaalsContact O-N 3.11Å; C622-Y625 HydrophobicContact CB-CD2 3.76Å; C622-Y625 WeakPolarHBondContact O-CB 3.46Å; C622-Y625 PolarHBondContact O-N 3.47Å |
| 623 | V | 65.4 | Low | 65.6 | Low | 61 Ų | 61 | 110 Ų | 110 | 37% | 0.37 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -53.4 | -34 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | L620 K621 Y625 T626 N629 | L620-V623 HydrophobicContact CB-CG2 3.46Å; L620-V623 VanDerWaalsContact CB-CG2 3.46Å; L620-V623 HydrophobicContact CD2-CG2 3.49Å; L620-V623 VanDerWaalsContact CD2-CG2 3.49Å; L620-V623 HydrophobicContact CG-CG2 3.65Å; L620-V623 VanDerWaalsContact O-CG2 3.27Å; L620-V623 WeakPolarHBondContact O-CG2 3.43Å; K621-V623 VanDerWaalsContact C-N 3.26Å; K621-V623 PolarHBondContact O-N 2.85Å; K621-V623 VanDerWaalsContact O-N 3.17Å; V623-Y625 PolarHBondContact O-N 3.22Å; V623-T626 WeakPolarHBondContact O-CB 3Å; V623-T626 WeakPolarHBondContact O-CG2 3.39Å; V623-T626 PolarHBondContact O-N 2.98Å; V623-T626 VanDerWaalsContact O-N 3.08Å; V623-T626 PolarHBondContact O-OG1 3.39Å; V623-N629 PolarHBondContact O-ND2 3.03Å |
| 624 | A | 59.6 | Low | 64.9 | Low | 69 Ų | 69 | 109.3 Ų | 109.3 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -58.2 | -28.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | C622 N629 | C622-A624 PolarHBondContact O-N 3.37Å; C622-A624 VanDerWaalsContact O-N 3.11Å; A624-N629 WeakPolarHBondContact O-CB 3.32Å |
| 625 | Y | 64.7 | Low | 64.8 | Low | 178 Ų | 178 | 113.2 Ų | 113.2 | 70% | 0.698 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -90.9 | 0.5 | -179.8 | -57.8 | -78.7 | 0 | 0 | 0 | 113.5 | C622 V623 | C622-Y625 HydrophobicContact CB-CD2 3.76Å; C622-Y625 WeakPolarHBondContact O-CB 3.46Å; C622-Y625 PolarHBondContact O-N 3.47Å; V623-Y625 PolarHBondContact O-N 3.22Å |
| 626 | T | 63.8 | Low | 64 | Low | 61 Ų | 61 | 118.6 Ų | 118.6 | 37% | 0.374 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -68.1 | 146.9 | 175.8 | 61.4 | 0 | 0 | 0 | 0 | 110.7 | V623 N628 N629 M630 | V623-T626 WeakPolarHBondContact O-CB 3Å; V623-T626 WeakPolarHBondContact O-CG2 3.39Å; V623-T626 PolarHBondContact O-N 2.98Å; V623-T626 VanDerWaalsContact O-N 3.08Å; V623-T626 PolarHBondContact O-OG1 3.39Å; T626-N628 PolarHBondContact O-N 3.31Å; T626-N629 PolarHBondContact O-N 2.96Å; T626-N629 PolarHBondContact OG1-ND2 3.38Å; T626-M630 PolarHBondContact O-N 2.92Å; T626-M630 VanDerWaalsContact O-N 3.09Å |
| 627 | G | 62.8 | Low | 63.5 | Low | 55 Ų | 55 | 122.4 Ų | 122.4 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -53.4 | -33.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R631 | G627-R631 WeakPolarHBondContact O-CB 3.24Å; G627-R631 PolarHBondContact O-N 3.21Å |
| 628 | N | 65.2 | Low | 62.2 | Low | 141 Ų | 141 | 122.5 Ų | 122.5 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.5 | -35.6 | 177.8 | -73.2 | -9.8 | 0 | 0 | 0 | 113 | T626 | T626-N628 PolarHBondContact O-N 3.31Å |
| 629 | N | 60 | Low | 60.7 | Low | 102 Ų | 102 | 122 Ų | 122 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -80.6 | -29.3 | 178.6 | -70.6 | -28.3 | 0 | 0 | 0 | 112.1 | V623 A624 T626 | V623-N629 PolarHBondContact O-ND2 3.03Å; A624-N629 WeakPolarHBondContact O-CB 3.32Å; T626-N629 PolarHBondContact O-N 2.96Å; T626-N629 PolarHBondContact OG1-ND2 3.38Å |
| 630 | M | 59.4 | Low | 59.3 | Low | 126 Ų | 126 | 123.3 Ų | 123.3 | 62% | 0.621 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.3 | -21.9 | 174.2 | -78.7 | -68.6 | -54 | 0 | 0 | 113.3 | T626 K632 | T626-M630 PolarHBondContact O-N 2.92Å; T626-M630 VanDerWaalsContact O-N 3.09Å; M630-K632 PolarHBondContact O-N 3.46Å; M630-K632 VanDerWaalsContact O-N 3.1Å |
| 631 | R | 55.8 | Low | 58 | Low | 165 Ų | 165 | 128.5 Ų | 128.5 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -69.3 | 112.4 | -179.2 | -153.8 | 169.8 | 175.3 | -178.9 | -6.6 | 107.8 | G627 E634 | G627-R631 WeakPolarHBondContact O-CB 3.24Å; G627-R631 PolarHBondContact O-N 3.21Å; R631-E634 IonicContact CZ-OE1 2.82Å; R631-E634 IonicContact NE-OE1 3.87Å; R631-E634 IonicContact NH2-OE1 2.78Å; R631-E634 PolarHBondContact NH2-OE1 3.32Å |
| 632 | K | 56.5 | Low | 57.3 | Low | 183 Ų | 183 | 127.9 Ų | 127.9 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -47.5 | 130.4 | 168.3 | -87.3 | -178.5 | 176.1 | 176.3 | 0 | 107.4 | M630 E634 | M630-K632 PolarHBondContact O-N 3.46Å; M630-K632 VanDerWaalsContact O-N 3.1Å; K632-E634 PolarHBondContact O-N 3.48Å | ||
| 633 | P | 57.9 | Low | 56.8 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | trans | -54.1 | 114.6 | 173.8 | 21.2 | -30.3 | 0 | 0 | 0 | 106.6 | K635 | P633-K635 PolarHBondContact O-N 2.82Š| ||
| 634 | E | 54.4 | Low | 56.3 | Low | 138 Ų | 138 | 130 Ų | 130 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | trans | -53.5 | 122.5 | 169.2 | -79.1 | 175.6 | -163.8 | 0 | 0 | 104.9 | R631 K632 Q636 | R631-E634 IonicContact CZ-OE1 2.82Å; R631-E634 IonicContact NE-OE1 3.87Å; R631-E634 IonicContact NH2-OE1 2.78Å; R631-E634 PolarHBondContact NH2-OE1 3.32Å; K632-E634 PolarHBondContact O-N 3.48Å; E634-Q636 VanDerWaalsContact C-N 3.32Å; E634-Q636 PolarHBondContact O-N 2.89Å | ||
| 635 | K | 54.4 | Low | 56.2 | Low | 203 Ų | 203 | 130.3 Ų | 130.3 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | trans | -48.9 | 105.6 | 177.2 | -81.5 | -179.9 | 175.4 | 179.8 | 0 | 105.7 | P633 T637 | P633-K635 PolarHBondContact O-N 2.82Å; K635-T637 PolarHBondContact O-N 3.33Å | ||
| 636 | Q | 48.7 | Very low | 55.8 | Low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 68% | 0.678 | S | S | * | * | trans | -61.3 | 99.5 | 175.4 | -72.1 | 178 | 6.2 | 0 | 0 | 104.7 | E634 P638 | E634-Q636 VanDerWaalsContact C-N 3.32Å; E634-Q636 PolarHBondContact O-N 2.89Å; Q636-P638 VanDerWaalsContact O-N 3.16Å | ||
| 637 | T | 51.4 | Low | 55.6 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | trans | -52.2 | 120.9 | 156.8 | 34.7 | 0 | 0 | 0 | 0 | 104.2 | K635 E639 | K635-T637 PolarHBondContact O-N 3.33Å; T637-E639 PolarHBondContact O-N 3.48Å | ||
| 638 | P | 48.1 | Very low | 54.5 | Low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | trans | -52.9 | 112.7 | -175.1 | 19.7 | -30.3 | 0 | 0 | 0 | 106.9 | Q636 | Q636-P638 VanDerWaalsContact O-N 3.16Š| ||
| 639 | E | 49.2 | Very low | 53.4 | Low | 164 Ų | 164 | 136.5 Ų | 136.5 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -55.9 | 133.5 | 173 | -76.2 | -175.8 | 165.3 | 0 | 0 | 106.3 | T637 L641 | T637-E639 PolarHBondContact O-N 3.48Å; E639-L641 PolarHBondContact O-N 3.24Å | ||
| 640 | P | 50.7 | Low | 52.5 | Low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -53.9 | 122.7 | 178.9 | 22.2 | -30.9 | 0 | 0 | 0 | 107.4 | I642 | P640-I642 PolarHBondContact O-N 2.87Š| ||
| 641 | L | 52.1 | Low | 51.7 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 90% | 0.895 | 71% | 0.709 | S | S | * | * | trans | -44 | 107.8 | -179.3 | -156.7 | 84.9 | 0 | 0 | 0 | 108 | E639 D643 | E639-L641 PolarHBondContact O-N 3.24Å; L641-D643 PolarHBondContact O-N 2.71Å | ||
| 642 | I | 56 | Low | 50.9 | Low | 122 Ų | 122 | 139.5 Ų | 139.5 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | -63.8 | 112.4 | 178.3 | -64.8 | 171.1 | 0 | 0 | 0 | 105.3 | P640 L644 | P640-I642 PolarHBondContact O-N 2.87Å; I642-L644 VanDerWaalsContact C-N 3.28Å; I642-L644 HydrophobicContact CG2-CD2 4.36Å; I642-L644 HydrophobicContact CG2-CG 4.32Å; I642-L644 PolarHBondContact O-N 2.83Å | ||
| 643 | D | 56.8 | Low | 49.8 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 87.6 | -179.2 | -177.8 | 9.6 | 0 | 0 | 0 | 109.6 | L641 S645 H646 | L641-D643 PolarHBondContact O-N 2.71Å; D643-S645 PolarHBondContact O-N 2.83Å; D643-S645 WeakPolarHBondContact OD1-CB 3.44Å; D643-S645 PolarHBondContact OD1-N 3.44Å; D643-S645 VanDerWaalsContact OD1-N 3.07Å; D643-S645 PolarHBondContact OD1-OG 3.25Å; D643-S645 PolarHBondContact OD2-OG 2.75Å; D643-H646 PolarHBondContact O-CE1 3.45Å; D643-H646 PolarHBondContact O-ND1 3.03Å | ||
| 644 | L | 54.3 | Low | 48.8 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 45% | 0.445 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -76 | 8.8 | 176.4 | -70.4 | 165.2 | 0 | 0 | 0 | 112.5 | I642 H646 V647 Y648 | I642-L644 VanDerWaalsContact C-N 3.28Å; I642-L644 HydrophobicContact CG2-CD2 4.36Å; I642-L644 HydrophobicContact CG2-CG 4.32Å; I642-L644 PolarHBondContact O-N 2.83Å; L644-H646 PolarHBondContact O-N 2.85Å; L644-H646 VanDerWaalsContact O-N 3.07Å; L644-V647 HydrophobicContact CD2-CB 4.23Å; L644-V647 HydrophobicContact CD2-CG2 3.65Å; L644-V647 PolarHBondContact O-N 3.35Å; L644-Y648 HydrophobicContact CB-CD2 4.41Å; L644-Y648 HydrophobicContact CB-CE2 4.29Å; L644-Y648 WeakPolarHBondContact O-CD2 3.37Å; L644-Y648 PolarHBondContact O-N 2.63Å |
| 645 | S | 57.9 | Low | 48.1 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 52% | 0.524 | 73% | 0.728 | S | S | . | * | G | 310 helix | trans | -56.4 | -25.6 | 177.5 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | D643 Y648 | D643-S645 PolarHBondContact O-N 2.83Å; D643-S645 WeakPolarHBondContact OD1-CB 3.44Å; D643-S645 PolarHBondContact OD1-N 3.44Å; D643-S645 VanDerWaalsContact OD1-N 3.07Å; D643-S645 PolarHBondContact OD1-OG 3.25Å; D643-S645 PolarHBondContact OD2-OG 2.75Å; S645-Y648 VanDerWaalsContact O-O 3.06Å |
| 646 | H | 56 | Low | 47.1 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -80.4 | -18.1 | 174.6 | 67.1 | -79.4 | 0 | 0 | 0 | 114.4 | D643 L644 | D643-H646 PolarHBondContact O-CE1 3.45Å; D643-H646 PolarHBondContact O-ND1 3.03Å; L644-H646 PolarHBondContact O-N 2.85Å; L644-H646 VanDerWaalsContact O-N 3.07Å |
| 647 | V | 59.8 | Low | 46.4 | Very low | 89 Ų | 89 | 135.1 Ų | 135.1 | 54% | 0.539 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -32.7 | 177 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | L644 L649 | L644-V647 HydrophobicContact CD2-CB 4.23Å; L644-V647 HydrophobicContact CD2-CG2 3.65Å; L644-V647 PolarHBondContact O-N 3.35Å; V647-L649 PolarHBondContact O-N 3.08Å |
| 648 | Y | 39.1 | Very low | 45.7 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -82.4 | 104.5 | 170.6 | -67.4 | -79.5 | 0 | 0 | 0 | 109.2 | L644 S645 S650 | L644-Y648 HydrophobicContact CB-CD2 4.41Å; L644-Y648 HydrophobicContact CB-CE2 4.29Å; L644-Y648 WeakPolarHBondContact O-CD2 3.37Å; L644-Y648 PolarHBondContact O-N 2.63Å; S645-Y648 VanDerWaalsContact O-O 3.06Å; Y648-S650 PolarHBondContact O-N 3.08Å |
| 649 | L | 43.1 | Very low | 44.8 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -61.2 | 78.2 | 155.9 | -88.1 | 124.5 | 0 | 0 | 0 | 108.4 | V647 Y651 | V647-L649 PolarHBondContact O-N 3.08Å; L649-Y651 PolarHBondContact O-N 3.22Å | ||
| 650 | S | 41.9 | Very low | 44.1 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -73.5 | 115.9 | 170.1 | 59.7 | 0 | 0 | 0 | 0 | 107.9 | Y648 N652 | Y648-S650 PolarHBondContact O-N 3.08Å; S650-N652 PolarHBondContact O-N 3.39Å | ||
| 651 | Y | 40.7 | Very low | 43.3 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -68.7 | 34.7 | 178.1 | -89.1 | -86.1 | 0 | 0 | 0 | 114.4 | L649 | L649-Y651 PolarHBondContact O-N 3.22Š| ||
| 652 | N | 39 | Very low | 42.6 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -116.1 | 77.2 | 176.1 | -71.5 | -10.3 | 0 | 0 | 0 | 109.5 | S650 | S650-N652 PolarHBondContact O-N 3.39Š| ||
| 653 | T | 34.4 | Very low | 41.6 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -63.1 | 149.1 | 153.3 | 44.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 654 | D | 37.3 | Very low | 40.5 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 89.1 | 86.8 | 173.4 | -49.3 | -31.6 | 0 | 0 | 0 | 116.3 | ||||
| 655 | V | 39.2 | Very low | 39.7 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | -154.6 | 122.9 | 116.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 656 | R | 34.3 | Very low | 38.6 | Very low | 246 Ų | 246 | 163.6 Ų | 163.6 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -62.3 | 140.2 | 172.7 | -67.8 | 168 | 167.6 | 177.5 | -5 | 112.3 | ||||
| 657 | G | 34 | Very low | 37.8 | Very low | 72 Ų | 72 | 163.2 Ų | 163.2 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | 119.3 | 131.9 | 129.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 658 | K | 35.4 | Very low | 36.7 | Very low | 214 Ų | 214 | 168.6 Ų | 168.6 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | trans | 95 | 102.2 | 155.9 | -60.8 | -173.7 | 177.7 | -179.5 | 0 | 117.4 | ||||
| 659 | A | 30.3 | Very low | 36.6 | Very low | 98 Ų | 98 | 168.4 Ų | 168.4 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | trans | -69.4 | 145.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 660 | E | 33.8 | Very low | 36.5 | Very low | 190 Ų | 190 | 168.5 Ų | 168.5 | 89% | 0.888 | 85% | 0.85 | S | S | * | * | trans | -140.6 | 132.2 | 151.5 | -81.4 | -166.1 | 166.2 | 0 | 0 | 110.5 | ||||
| 661 | P | 34.4 | Very low | 36.2 | Very low | 124 Ų | 124 | 173.4 Ų | 173.4 | 81% | 0.805 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 123.8 | -173.4 | 34 | -31.5 | 0 | 0 | 0 | 112.1 | ||
| 662 | R | 36.7 | Very low | 35.9 | Very low | 254 Ų | 254 | 176.5 Ų | 176.5 | 96% | 0.958 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 133.8 | 171.7 | -81.5 | -175.2 | 174.8 | -176.1 | -0.3 | 112.3 | ||
| 663 | Q | 34.2 | Very low | 35.7 | Very low | 190 Ų | 190 | 178 Ų | 178 | 89% | 0.888 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.9 | -164.2 | -63.6 | 167.6 | -1.8 | 0 | 0 | 114.7 | ||
| 664 | Q | 34.9 | Very low | 35.8 | Very low | 196 Ų | 196 | 181 Ų | 181 | 92% | 0.916 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 121.2 | 177.6 | -70.2 | 166.1 | -3.9 | 0 | 0 | 112.1 | ||
| 665 | K | 36.5 | Very low | 35.7 | Very low | 207 Ų | 207 | 182.7 Ų | 182.7 | 90% | 0.9 | 89% | 0.894 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 118.6 | 168.6 | -91.5 | -179.5 | 175.4 | 176.5 | 0 | 110.2 | T667 | K665-T667 PolarHBondContact O-N 3.42Š|
| 666 | K | 36 | Very low | 35.5 | Very low | 205 Ų | 205 | 184.6 Ų | 184.6 | 89% | 0.891 | 89% | 0.893 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 121.8 | 176.7 | -70.7 | 176.3 | 174.5 | 177.6 | 0 | 111.9 | ||
| 667 | T | 38.2 | Very low | 35.6 | Very low | 141 Ų | 141 | 180.8 Ų | 180.8 | 87% | 0.865 | 89% | 0.891 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.5 | 168.2 | 31.9 | 0 | 0 | 0 | 0 | 110.2 | K665 L669 | K665-T667 PolarHBondContact O-N 3.42Å; T667-L669 PolarHBondContact O-N 3.21Å |
| 668 | K | 37 | Very low | 35.7 | Very low | 202 Ų | 202 | 188.1 Ų | 188.1 | 88% | 0.878 | 90% | 0.901 | S | S | * | * | trans | -82.6 | 111.9 | 170.3 | -84.2 | -175.2 | 175.7 | -179.7 | 0 | 109.1 | N670 | K668-N670 PolarHBondContact O-N 2.95Š| ||
| 669 | L | 37.2 | Very low | 35.7 | Very low | 164 Ų | 164 | 186.2 Ų | 186.2 | 86% | 0.859 | 90% | 0.899 | S | S | * | * | trans | -67 | 107.1 | 170.9 | -150.8 | 85.6 | 0 | 0 | 0 | 108.9 | T667 | T667-L669 PolarHBondContact O-N 3.21Š| ||
| 670 | N | 41.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 193 Ų | 193 | 86% | 0.861 | 91% | 0.906 | S | S | * | * | trans | -91.9 | 113.8 | 168.4 | -96.8 | -11 | 0 | 0 | 0 | 109.2 | K668 K672 | K668-N670 PolarHBondContact O-N 2.95Å; N670-K672 PolarHBondContact O-N 2.97Å | ||
| 671 | K | 35.5 | Very low | 36.3 | Very low | 195 Ų | 195 | 193.3 Ų | 193.3 | 85% | 0.848 | 91% | 0.907 | S | S | * | * | trans | -63.6 | 116.8 | 170.4 | -70.9 | 172.5 | 171.9 | 178.5 | 0 | 110.4 | ||||
| 672 | K | 34.2 | Very low | 36.5 | Very low | 280 Ų | 280 | 199.5 Ų | 199.5 | 100% | 1.217 | 92% | 0.917 | S | S | * | * | -172 | 0 | 119.7 | -108 | -177.1 | 178.9 | -177.6 | 0 | 110.2 | N670 | N670-K672 PolarHBondContact O-N 2.97Š|
Retrieved 672 of 672 residues in 432.2 ms
(Link to these results)