| 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 | 36.1 | Very low | 66 | Low | 244 Ų | 244 | 100.4 Ų | 100.4 | 100% | 1.202 | 60% | 0.602 | S | S | * | * | 0 | 115 | 0 | -73.2 | -168.7 | -91.6 | 0 | 0 | 107 | |||||
| 2 | A | 43.1 | Very low | 68.5 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 87% | 0.868 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 129.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||
| 3 | G | 41.2 | Very low | 70.7 | Confident | 59 Ų | 59 | 88 Ų | 88 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 158.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L5 | G3-L5 PolarHBondContact O-N 3.22Š|
| 4 | P | 48.5 | Very low | 72.5 | Confident | 125 Ų | 125 | 87.8 Ų | 87.8 | 81% | 0.812 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 126.6 | 178.6 | 20.5 | -29.2 | 0 | 0 | 0 | 110.1 | V6 | P4-V6 PolarHBondContact O-N 2.97Š|
| 5 | L | 53 | Low | 74.1 | Confident | 173 Ų | 173 | 90.5 Ų | 90.5 | 91% | 0.906 | 53% | 0.532 | S | S | * | . | trans | -64.2 | 101.7 | 174.8 | -78.7 | 160.3 | 0 | 0 | 0 | 108.2 | G3 P7 | G3-L5 PolarHBondContact O-N 3.22Å; L5-P7 VanDerWaalsContact O-CD 3.3Å; L5-P7 WeakPolarHBondContact O-CD 3.34Å | ||
| 6 | V | 60.8 | Low | 75.6 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 38% | 0.376 | 51% | 0.509 | S | S | . | . | trans | -60.8 | 117.4 | 171.1 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | P4 Q10 K11 | P4-V6 PolarHBondContact O-N 2.97Å; V6-Q10 HydrophobicContact CG1-CB 3.53Å; V6-Q10 HydrophobicContact CG1-CG 4.47Å; V6-K11 HydrophobicContact CB-CG 4.34Å; V6-K11 HydrophobicContact CG1-CG 3.7Å | ||
| 7 | P | 75.3 | Confident | 76.8 | Confident | 57 Ų | 57 | 82.5 Ų | 82.5 | 37% | 0.37 | 48% | 0.482 | S | S | . | . | trans | -51 | 144.4 | 174.2 | -26.9 | 35.7 | 0 | 0 | 0 | 111 | L5 S9 Q10 | L5-P7 VanDerWaalsContact O-CD 3.3Å; L5-P7 WeakPolarHBondContact O-CD 3.34Å; P7-S9 PolarHBondContact O-N 3.42Å; P7-S9 VanDerWaalsContact O-N 3.1Å; P7-Q10 HydrophobicContact CB-CG 4.44Å; P7-Q10 VanDerWaalsContact CD-OE1 3.26Å; P7-Q10 HydrophobicContact CG-CG 4.44Å; P7-Q10 PolarHBondContact O-N 2.94Å | ||
| 8 | S | 85.9 | Confident | 77.9 | Confident | 88 Ų | 88 | 84.3 Ų | 84.3 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -49.9 | -40.7 | -178.2 | -168.3 | 0 | 0 | 0 | 0 | 112.3 | Q10 K11 V12 | S8-Q10 PolarHBondContact O-N 3.1Å; S8-K11 PolarHBondContact O-N 2.85Å; S8-V12 PolarHBondContact O-N 3.36Å |
| 9 | S | 93.1 | Very high | 78.8 | Confident | 5 Ų | 5 | 81.4 Ų | 81.4 | 4% | 0.035 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 178.8 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | P7 K11 V12 L13 Y39 I66 Y68 | P7-S9 PolarHBondContact O-N 3.42Å; P7-S9 VanDerWaalsContact O-N 3.1Å; S9-K11 VanDerWaalsContact C-N 3.31Å; S9-K11 PolarHBondContact O-N 2.99Å; S9-V12 PolarHBondContact O-N 3.4Å; S9-L13 WeakPolarHBondContact O-CB 3.34Å; S9-L13 VanDerWaalsContact O-CG 3.25Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 3.44Å; S9-Y39 PolarHBondContact OG-OH 3.1Å; S9-I66 VanDerWaalsContact CB-O 3.23Å; S9-I66 WeakPolarHBondContact CB-O 3.46Å; S9-I66 PolarHBondContact OG-O 3.43Å; S9-Y68 WeakPolarHBondContact CA-O 3.46Å; S9-Y68 WeakPolarHBondContact CB-O 3.38Å |
| 10 | Q | 94.8 | Very high | 79.6 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.9 | -69.8 | -169.5 | -29.2 | 0 | 0 | 112.2 | V6 P7 S8 L13 L14 L38 Y39 | V6-Q10 HydrophobicContact CG1-CB 3.53Å; V6-Q10 HydrophobicContact CG1-CG 4.47Å; P7-Q10 HydrophobicContact CB-CG 4.44Å; P7-Q10 VanDerWaalsContact CD-OE1 3.26Å; P7-Q10 HydrophobicContact CG-CG 4.44Å; P7-Q10 PolarHBondContact O-N 2.94Å; S8-Q10 PolarHBondContact O-N 3.1Å; Q10-L13 PolarHBondContact O-N 3.2Å; Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.31Å; Q10-L14 WeakPolarHBondContact O-CG 3.11Å; Q10-L14 PolarHBondContact O-N 2.72Å; Q10-L38 HydrophobicContact CB-CD1 4.27Å; Q10-L38 HydrophobicContact CG-CD1 4.4Å; Q10-Y39 HydrophobicContact CG-CE2 3.9Å; Q10-Y39 WeakPolarHBondContact CG-OH 3.42Å |
| 11 | K | 94.3 | Very high | 80.2 | Confident | 127 Ų | 127 | 79.4 Ų | 79.4 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 177.4 | -65.8 | -175.5 | -177.8 | 177.7 | 0 | 111.5 | V6 S8 S9 L14 L15 | V6-K11 HydrophobicContact CB-CG 4.34Å; V6-K11 HydrophobicContact CG1-CG 3.7Å; S8-K11 PolarHBondContact O-N 2.85Å; S9-K11 VanDerWaalsContact C-N 3.31Å; S9-K11 PolarHBondContact O-N 2.99Å; K11-L14 PolarHBondContact O-N 3.32Å; K11-L15 WeakPolarHBondContact O-CG 3.3Å; K11-L15 PolarHBondContact O-N 3.03Å; K11-L15 VanDerWaalsContact O-N 3.11Å |
| 12 | V | 95.9 | Very high | 82.9 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 24% | 0.242 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | S8 S9 L14 L15 E16 Y68 | S8-V12 PolarHBondContact O-N 3.36Å; S9-V12 PolarHBondContact O-N 3.4Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.92Å; V12-L15 PolarHBondContact O-N 2.97Å; V12-E16 HydrophobicContact CG1-CG 4.41Å; V12-E16 WeakPolarHBondContact CG1-OE1 2.78Å; V12-E16 PolarHBondContact O-N 3.19Å; V12-Y68 HydrophobicContact CB-CE1 4.49Å; V12-Y68 HydrophobicContact CG1-CD1 4.19Å; V12-Y68 HydrophobicContact CG1-CE1 3.71Å |
| 13 | L | 97.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.4 | -68 | 171.9 | 0 | 0 | 0 | 112.5 | S9 Q10 E16 L17 Y39 W41 F64 Y68 | S9-L13 WeakPolarHBondContact O-CB 3.34Å; S9-L13 VanDerWaalsContact O-CG 3.25Å; S9-L13 WeakPolarHBondContact O-CG 3.46Å; S9-L13 PolarHBondContact O-N 3.44Å; Q10-L13 PolarHBondContact O-N 3.2Å; L13-E16 PolarHBondContact O-N 3.48Å; L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 3.12Å; L13-Y39 HydrophobicContact CD1-CD1 3.75Å; L13-Y39 HydrophobicContact CD1-CE1 3.7Å; L13-Y39 HydrophobicContact CD1-CG 4.28Å; L13-W41 HydrophobicContact CB-CZ2 4.21Å; L13-W41 HydrophobicContact CD2-CZ2 4.11Å; L13-W41 WeakPolarHBondContact O-CZ2 3.48Å; L13-F64 HydrophobicContact CD1-CB 4.2Å; L13-F64 HydrophobicContact CD1-CG 4.31Å; L13-F64 HydrophobicContact CD2-CB 4.22Å; L13-F64 HydrophobicContact CD2-CD1 3.32Å; L13-F64 HydrophobicContact CD2-CD2 3.95Å; L13-F64 HydrophobicContact CD2-CE1 3.4Å; L13-F64 VanDerWaalsContact CD2-CE1 3.4Å; L13-F64 HydrophobicContact CD2-CE2 4.06Å; L13-F64 HydrophobicContact CD2-CG 3.56Å; L13-F64 HydrophobicContact CD2-CZ 3.75Å; L13-Y68 HydrophobicContact CD2-CD1 3.58Å; L13-Y68 HydrophobicContact CD2-CE1 3.72Å; L13-Y68 HydrophobicContact CD2-CG 4.19Å; L13-Y68 HydrophobicContact CG-CD1 3.97Å; L13-Y68 HydrophobicContact CG-CE1 4.4Å |
| 14 | L | 96 | Very high | 87.7 | Confident | 85 Ų | 85 | 73 Ų | 73 | 45% | 0.445 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.6 | -78.7 | 166.1 | 0 | 0 | 0 | 112.4 | Q10 K11 V12 K18 L38 | Q10-L14 WeakPolarHBondContact O-CB 3.38Å; Q10-L14 VanDerWaalsContact O-CG 3.31Å; Q10-L14 WeakPolarHBondContact O-CG 3.11Å; Q10-L14 PolarHBondContact O-N 2.72Å; K11-L14 PolarHBondContact O-N 3.32Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 2.92Å; L14-K18 VanDerWaalsContact O-CB 3.28Å; L14-K18 WeakPolarHBondContact O-CB 3.21Å; L14-K18 PolarHBondContact O-N 2.91Å; L14-L38 HydrophobicContact CD1-CD1 4.01Å; L14-L38 HydrophobicContact CD2-CD1 3.9Å; L14-L38 HydrophobicContact CD2-CD2 3.6Å; L14-L38 HydrophobicContact CD2-CG 4.42Å; L14-L38 HydrophobicContact CG-CD1 3.71Å; L14-L38 HydrophobicContact CG-CD2 4.13Å |
| 15 | L | 96.1 | Very high | 89.8 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.4 | -44 | 178 | -71.8 | 172 | 0 | 0 | 0 | 111.5 | K11 V12 G19 | K11-L15 WeakPolarHBondContact O-CG 3.3Å; K11-L15 PolarHBondContact O-N 3.03Å; K11-L15 VanDerWaalsContact O-N 3.11Å; V12-L15 PolarHBondContact O-N 2.97Å; L15-G19 PolarHBondContact O-N 2.88Å |
| 16 | E | 97.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -43 | 177.7 | -73 | -166 | -136.5 | 0 | 0 | 112.5 | V12 L13 G19 L20 W41 Y68 N119 V120 | V12-E16 HydrophobicContact CG1-CG 4.41Å; V12-E16 WeakPolarHBondContact CG1-OE1 2.78Å; V12-E16 PolarHBondContact O-N 3.19Å; L13-E16 PolarHBondContact O-N 3.48Å; E16-G19 PolarHBondContact O-N 3.08Å; E16-L20 WeakPolarHBondContact O-CB 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.42Å; E16-L20 PolarHBondContact O-N 2.93Å; E16-W41 HydrophobicContact CB-CH2 4.15Å; E16-Y68 VanDerWaalsContact CD-OH 3.24Å; E16-Y68 WeakPolarHBondContact OE1-CE1 3.07Å; E16-Y68 PolarHBondContact OE1-OH 3.16Å; E16-Y68 PolarHBondContact OE2-OH 2.91Å; E16-Y68 VanDerWaalsContact OE2-OH 3.13Å; E16-N119 WeakPolarHBondContact OE2-CB 3.39Å; E16-V120 WeakPolarHBondContact OE2-CB 3.43Å; E16-V120 VanDerWaalsContact OE2-CG2 3.25Å; E16-V120 WeakPolarHBondContact OE2-CG2 3.42Å; E16-V120 PolarHBondContact OE2-N 3.14Å |
| 17 | L | 96.8 | Very high | 93 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 177.1 | -177.4 | 63.9 | 0 | 0 | 0 | 110.5 | L13 G19 L20 Q21 V30 L32 W41 | L13-L17 VanDerWaalsContact O-CB 3.26Å; L13-L17 WeakPolarHBondContact O-CB 3.47Å; L13-L17 PolarHBondContact O-N 3.12Å; L17-G19 PolarHBondContact O-N 3.32Å; L17-L20 PolarHBondContact O-N 3.22Å; L17-Q21 HydrophobicContact CD1-CG 4.47Å; L17-Q21 WeakPolarHBondContact O-CG 3.31Å; L17-Q21 PolarHBondContact O-N 2.86Å; L17-V30 HydrophobicContact CD1-CG1 3.8Å; L17-L32 HydrophobicContact CD2-CD1 4.2Å; L17-L32 HydrophobicContact CD2-CD2 3.76Å; L17-L32 HydrophobicContact CD2-CG 3.89Å; L17-W41 HydrophobicContact CB-CH2 3.65Å; L17-W41 HydrophobicContact CB-CZ2 3.67Å; L17-W41 HydrophobicContact CB-CZ3 4.42Å; L17-W41 HydrophobicContact CD1-CD2 4.21Å; L17-W41 HydrophobicContact CD1-CE3 4.2Å; L17-W41 HydrophobicContact CD1-CH2 4.13Å; L17-W41 HydrophobicContact CD1-CZ2 4.18Å; L17-W41 HydrophobicContact CD1-CZ3 4.13Å; L17-W41 HydrophobicContact CG-CH2 4.48Å; L17-W41 HydrophobicContact CG-CZ2 4.39Å |
| 18 | K | 95.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59 | -47.7 | 177.2 | -177.3 | -178.4 | 171.8 | -174.9 | 0 | 110.9 | L14 L20 Q21 E22 | L14-K18 VanDerWaalsContact O-CB 3.28Å; L14-K18 WeakPolarHBondContact O-CB 3.21Å; L14-K18 PolarHBondContact O-N 2.91Å; K18-L20 VanDerWaalsContact C-N 3.3Å; K18-L20 PolarHBondContact O-N 3.3Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.13Å; K18-E22 VanDerWaalsContact CE-CD 3.42Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.34Å; K18-E22 IonicContact NZ-OE1 2.76Å; K18-E22 WeakPolarHBondContact O-CB 3.47Å; K18-E22 WeakPolarHBondContact O-CG 3.29Å; K18-E22 PolarHBondContact O-N 2.64Å |
| 19 | G | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L15 E16 L17 E23 | L15-G19 PolarHBondContact O-N 2.88Å; E16-G19 PolarHBondContact O-N 3.08Å; L17-G19 PolarHBondContact O-N 3.32Å; G19-E23 WeakPolarHBondContact O-CA 3.48Å; G19-E23 PolarHBondContact O-N 2.99Å |
| 20 | L | 95.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75.4 | -24.5 | 175.8 | -75 | 166 | 0 | 0 | 0 | 113.6 | E16 L17 K18 P24 V25 V30 W41 V120 R121 L124 | E16-L20 WeakPolarHBondContact O-CB 3.26Å; E16-L20 WeakPolarHBondContact O-CG 3.42Å; E16-L20 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 3.22Å; K18-L20 VanDerWaalsContact C-N 3.3Å; K18-L20 PolarHBondContact O-N 3.3Å; L20-P24 WeakPolarHBondContact O-CA 3.35Å; L20-P24 WeakPolarHBondContact O-CB 3.33Å; L20-V25 HydrophobicContact CD2-CG2 3.89Å; L20-V30 HydrophobicContact CD1-CG2 4.5Å; L20-W41 HydrophobicContact CD1-CZ3 3.9Å; L20-V120 HydrophobicContact CD1-CB 3.78Å; L20-V120 HydrophobicContact CD1-CG1 3.52Å; L20-R121 HydrophobicContact CD2-CB 4.22Å; L20-L124 HydrophobicContact CD2-CD1 4.31Å |
| 21 | Q | 92.3 | Very high | 94.5 | Very high | 111 Ų | 111 | 61.7 Ų | 61.7 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -81.8 | -36.8 | 174.7 | -73.3 | 178.8 | -17 | 0 | 0 | 112.1 | L17 K18 | L17-Q21 HydrophobicContact CD1-CG 4.47Å; L17-Q21 WeakPolarHBondContact O-CG 3.31Å; L17-Q21 PolarHBondContact O-N 2.86Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.13Å |
| 22 | E | 92.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 57.5 Ų | 57.5 | 64% | 0.64 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -74.5 | -42.5 | 175.9 | -70.4 | 178.9 | 162.9 | 0 | 0 | 111.8 | K18 | K18-E22 VanDerWaalsContact CE-CD 3.42Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.34Å; K18-E22 IonicContact NZ-OE1 2.76Å; K18-E22 WeakPolarHBondContact O-CB 3.47Å; K18-E22 WeakPolarHBondContact O-CG 3.29Å; K18-E22 PolarHBondContact O-N 2.64Å |
| 23 | E | 93.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 59 Ų | 59 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -126.4 | 77.1 | 178.4 | -166.5 | -177.9 | -160.8 | 0 | 0 | 110.6 | G19 R121 T194 | G19-E23 WeakPolarHBondContact O-CA 3.48Å; G19-E23 PolarHBondContact O-N 2.99Å; E23-R121 PolarHBondContact O-NH1 3.24Å; E23-R121 PolarHBondContact O-NH2 2.91Å; E23-R121 IonicContact OE2-NH2 2.99Å; E23-T194 HydrophobicContact CG-CG2 3.7Å |
| 24 | P | 91.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 148.3 | -177.5 | 26.6 | -35.1 | 0 | 0 | 0 | 112.6 | L20 V192 | L20-P24 WeakPolarHBondContact O-CA 3.35Å; L20-P24 WeakPolarHBondContact O-CB 3.33Å; P24-V192 HydrophobicContact CG-CG1 4.06Å; P24-V192 HydrophobicContact CG-CG2 4.16Å |
| 25 | V | 92.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 135.5 | 168 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | L20 G27 F28 R121 L124 L125 I128 | L20-V25 HydrophobicContact CD2-CG2 3.89Å; V25-G27 PolarHBondContact O-N 3.2Å; V25-F28 HydrophobicContact CB-CB 4.19Å; V25-F28 HydrophobicContact CB-CD2 4.47Å; V25-F28 HydrophobicContact CG1-CD2 4.05Å; V25-F28 PolarHBondContact O-N 2.78Å; V25-R121 HydrophobicContact CG2-CG 3.85Å; V25-L124 HydrophobicContact CB-CD1 4.5Å; V25-L124 HydrophobicContact CG2-CD1 4.28Å; V25-L125 HydrophobicContact CG1-CD2 3.87Å; V25-I128 HydrophobicContact CG1-CD1 4.06Å |
| 26 | E | 90.8 | Very high | 94 | Very high | 84 Ų | 84 | 66 Ų | 66 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 127.7 | -179.2 | -62.4 | -171.2 | 158.3 | 0 | 0 | 111.7 | F28 Y190 C191 | E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 WeakPolarHBondContact O-CD2 3.49Å; E26-Y190 HydrophobicContact CB-CD1 4.36Å; E26-Y190 HydrophobicContact CB-CE1 3.94Å; E26-Y190 PolarHBondContact O-OH 3.29Å; E26-C191 WeakPolarHBondContact OE1-CA 3.49Å; E26-C191 VanDerWaalsContact OE1-CB 3.31Å; E26-C191 WeakPolarHBondContact OE1-CB 3.23Å; E26-C191 PolarHBondContact OE2-SG 2.88Å; E26-C191 VanDerWaalsContact OE2-SG 3.4Å |
| 27 | G | 89.8 | Confident | 93.9 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 3.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V25 I45 F46 Y190 | V25-G27 PolarHBondContact O-N 3.2Å; G27-I45 CarbonylContact O-C 3.53Å; G27-I45 WeakPolarHBondContact O-CA 3.49Å; G27-F46 WeakPolarHBondContact O-CD2 3.33Å; G27-F46 PolarHBondContact O-N 2.98Å; G27-Y190 WeakPolarHBondContact CA-OH 3.43Å |
| 28 | F | 93.7 | Very high | 93.9 | Very high | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.4 | 179.2 | -71.2 | -108.4 | 0 | 0 | 0 | 111.4 | V25 E26 V43 A44 I45 L124 I128 | V25-F28 HydrophobicContact CB-CB 4.19Å; V25-F28 HydrophobicContact CB-CD2 4.47Å; V25-F28 HydrophobicContact CG1-CD2 4.05Å; V25-F28 PolarHBondContact O-N 2.78Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 WeakPolarHBondContact O-CD2 3.49Å; F28-V43 HydrophobicContact CD1-CG1 3.59Å; F28-V43 HydrophobicContact CE1-CG1 4.15Å; F28-A44 CarbonylContact C-O 3.51Å; F28-A44 WeakPolarHBondContact CA-O 3.19Å; F28-I45 HydrophobicContact CD1-CD1 4.31Å; F28-I45 HydrophobicContact CD1-CG1 3.79Å; F28-I45 HydrophobicContact CE1-CB 4.3Å; F28-I45 HydrophobicContact CE1-CD1 3.59Å; F28-I45 HydrophobicContact CE1-CG1 3.5Å; F28-I45 VanDerWaalsContact CE1-CG1 3.5Å; F28-I45 HydrophobicContact CE1-CG2 4Å; F28-I45 HydrophobicContact CE2-CG2 4.05Å; F28-I45 HydrophobicContact CZ-CB 4.47Å; F28-I45 HydrophobicContact CZ-CD1 4.18Å; F28-I45 HydrophobicContact CZ-CG1 4.11Å; F28-I45 HydrophobicContact CZ-CG2 3.68Å; F28-L124 HydrophobicContact CB-CD1 4.16Å; F28-L124 HydrophobicContact CD1-CB 4.12Å; F28-L124 HydrophobicContact CD1-CD1 3.87Å; F28-L124 HydrophobicContact CD1-CD2 3.69Å; F28-L124 HydrophobicContact CD1-CG 4.08Å; F28-L124 HydrophobicContact CE1-CB 4.15Å; F28-L124 HydrophobicContact CE1-CD2 3.81Å; F28-L124 HydrophobicContact CE1-CG 4.39Å; F28-L124 HydrophobicContact CG-CD1 4.15Å; F28-I128 HydrophobicContact CD2-CD1 4Å; F28-I128 HydrophobicContact CD2-CG1 4.34Å; F28-I128 HydrophobicContact CE2-CD1 3.36Å; F28-I128 HydrophobicContact CE2-CG1 3.25Å; F28-I128 HydrophobicContact CZ-CD1 4.11Å; F28-I128 HydrophobicContact CZ-CG1 3.57Å |
| 29 | R | 94.1 | Very high | 94 | Very high | 146 Ų | 146 | 63.6 Ų | 63.6 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136.8 | 165.3 | -71.1 | 176.8 | -173.9 | -165.9 | 1.7 | 108.6 | V43 A44 F46 | R29-V43 WeakPolarHBondContact O-CA 3.14Å; R29-A44 HydrophobicContact CB-CB 4.13Å; R29-A44 PolarHBondContact N-O 3.4Å; R29-A44 PolarHBondContact O-N 3.49Å; R29-F46 HydrophobicContact CG-CE2 3.96Å |
| 30 | V | 95.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.1 | -174.6 | -178 | 0 | 0 | 0 | 0 | 109.3 | L17 L20 W41 L124 | L17-V30 HydrophobicContact CD1-CG1 3.8Å; L20-V30 HydrophobicContact CD1-CG2 4.5Å; V30-W41 HydrophobicContact CG1-CB 4.42Å; V30-W41 HydrophobicContact CG1-CD2 4.02Å; V30-W41 HydrophobicContact CG1-CE3 3.27Å; V30-W41 HydrophobicContact CG1-CZ3 3.82Å; V30-L124 HydrophobicContact CG2-CD1 4.08Å |
| 31 | T | 96.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 165.8 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | W41 E42 | T31-W41 CarbonylContact O-C 3.55Å; T31-W41 VanDerWaalsContact O-CA 3.29Å; T31-W41 WeakPolarHBondContact O-CA 3.23Å; T31-W41 WeakPolarHBondContact O-CB 3.28Å; T31-E42 PolarHBondContact N-O 3.26Å; T31-E42 PolarHBondContact O-N 3.11Å |
| 32 | L | 97.5 | Very high | 94.5 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 147.7 | 167.5 | -59.6 | 178.9 | 0 | 0 | 0 | 109.3 | L17 D34 L38 W41 | L17-L32 HydrophobicContact CD2-CD1 4.2Å; L17-L32 HydrophobicContact CD2-CD2 3.76Å; L17-L32 HydrophobicContact CD2-CG 3.89Å; L32-D34 WeakPolarHBondContact CB-O 3.24Å; L32-L38 HydrophobicContact CD1-CD2 3.91Å; L32-L38 HydrophobicContact CD2-CD2 4.32Å; L32-W41 HydrophobicContact CD2-CG 4.13Å |
| 33 | V | 95.9 | Very high | 94.7 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -69.3 | -41 | 170.4 | 177 | 0 | 0 | 0 | 0 | 110 | N40 E42 | V33-N40 HydrophobicContact CB-CB 4.4Å; V33-N40 HydrophobicContact CG2-CB 4.3Å; V33-N40 PolarHBondContact N-O 3.44Å; V33-E42 HydrophobicContact CG2-CB 4.14Å |
| 34 | D | 94.6 | Very high | 94.9 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -132.6 | 133.3 | 173.6 | -179.5 | -0.2 | 0 | 0 | 0 | 108.1 | L32 G36 D37 | L32-D34 WeakPolarHBondContact CB-O 3.24Å; D34-G36 PolarHBondContact O-N 2.97Å; D34-G36 VanDerWaalsContact O-N 3.1Å; D34-G36 PolarHBondContact OD1-N 2.8Å; D34-D37 HydrophobicContact CB-CB 4.19Å; D34-D37 PolarHBondContact O-N 2.8Å |
| 35 | E | 90.6 | Very high | 95.1 | Very high | 189 Ų | 189 | 47.9 Ų | 47.9 | 88% | 0.883 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.6 | -179.2 | -64.6 | -172.7 | 171.2 | 0 | 0 | 112.6 | ||
| 36 | G | 92.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 73% | 0.732 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D34 | D34-G36 PolarHBondContact O-N 2.97Å; D34-G36 VanDerWaalsContact O-N 3.1Å; D34-G36 PolarHBondContact OD1-N 2.8Å |
| 37 | D | 95 | Very high | 95.3 | Very high | 52 Ų | 52 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | trans | -122 | 93.3 | -170.9 | -173.3 | -4.3 | 0 | 0 | 0 | 112.4 | D34 Y39 N40 | D34-D37 HydrophobicContact CB-CB 4.19Å; D34-D37 PolarHBondContact O-N 2.8Å; D37-Y39 PolarHBondContact O-N 3.45Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.48Å; D37-Y39 PolarHBondContact OD1-N 2.99Å; D37-N40 VanDerWaalsContact CG-ND2 3.26Å; D37-N40 PolarHBondContact OD1-ND2 2.87Å; D37-N40 PolarHBondContact OD2-ND2 3.45Å | ||
| 38 | L | 96.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.7 | 176.7 | -68.5 | 172.2 | 0 | 0 | 0 | 114.3 | Q10 L14 L32 W41 | Q10-L38 HydrophobicContact CB-CD1 4.27Å; Q10-L38 HydrophobicContact CG-CD1 4.4Å; L14-L38 HydrophobicContact CD1-CD1 4.01Å; L14-L38 HydrophobicContact CD2-CD1 3.9Å; L14-L38 HydrophobicContact CD2-CD2 3.6Å; L14-L38 HydrophobicContact CD2-CG 4.42Å; L14-L38 HydrophobicContact CG-CD1 3.71Å; L14-L38 HydrophobicContact CG-CD2 4.13Å; L32-L38 HydrophobicContact CD1-CD2 3.91Å; L32-L38 HydrophobicContact CD2-CD2 4.32Å; L38-W41 PolarHBondContact O-NE1 3.38Å |
| 39 | Y | 97.7 | Very high | 95 | Very high | 30 Ų | 30 | 45.6 Ų | 45.6 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1 | -175.5 | -66.4 | -91.5 | 0 | 0 | 0 | 113 | S9 Q10 L13 D37 K63 F64 I66 | S9-Y39 PolarHBondContact OG-OH 3.1Å; Q10-Y39 HydrophobicContact CG-CE2 3.9Å; Q10-Y39 WeakPolarHBondContact CG-OH 3.42Å; L13-Y39 HydrophobicContact CD1-CD1 3.75Å; L13-Y39 HydrophobicContact CD1-CE1 3.7Å; L13-Y39 HydrophobicContact CD1-CG 4.28Å; D37-Y39 PolarHBondContact O-N 3.45Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.48Å; D37-Y39 PolarHBondContact OD1-N 2.99Å; Y39-K63 WeakPolarHBondContact O-CA 3.34Å; Y39-F64 HydrophobicContact CD1-CB 3.9Å; Y39-F64 WeakPolarHBondContact O-CD2 3.44Å; Y39-F64 PolarHBondContact O-N 3.03Å; Y39-I66 HydrophobicContact CE1-CD1 4.13Å; Y39-I66 HydrophobicContact CE2-CD1 4.4Å; Y39-I66 WeakPolarHBondContact OH-CD1 3.48Å |
| 40 | N | 98.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 107.9 | -179.8 | -68.7 | -89.9 | 0 | 0 | 0 | 110.4 | V33 D37 K63 | V33-N40 HydrophobicContact CB-CB 4.4Å; V33-N40 HydrophobicContact CG2-CB 4.3Å; V33-N40 PolarHBondContact N-O 3.44Å; D37-N40 VanDerWaalsContact CG-ND2 3.26Å; D37-N40 PolarHBondContact OD1-ND2 2.87Å; D37-N40 PolarHBondContact OD2-ND2 3.45Å; N40-K63 WeakPolarHBondContact OD1-CG 3.4Å |
| 41 | W | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 143.1 | -177.3 | -61.9 | 10.2 | 0 | 0 | 0 | 110.6 | L13 E16 L17 L20 V30 T31 L32 L38 H61 L62 F64 V120 | L13-W41 HydrophobicContact CB-CZ2 4.21Å; L13-W41 HydrophobicContact CD2-CZ2 4.11Å; L13-W41 WeakPolarHBondContact O-CZ2 3.48Å; E16-W41 HydrophobicContact CB-CH2 4.15Å; L17-W41 HydrophobicContact CB-CH2 3.65Å; L17-W41 HydrophobicContact CB-CZ2 3.67Å; L17-W41 HydrophobicContact CB-CZ3 4.42Å; L17-W41 HydrophobicContact CD1-CD2 4.21Å; L17-W41 HydrophobicContact CD1-CE3 4.2Å; L17-W41 HydrophobicContact CD1-CH2 4.13Å; L17-W41 HydrophobicContact CD1-CZ2 4.18Å; L17-W41 HydrophobicContact CD1-CZ3 4.13Å; L17-W41 HydrophobicContact CG-CH2 4.48Å; L17-W41 HydrophobicContact CG-CZ2 4.39Å; L20-W41 HydrophobicContact CD1-CZ3 3.9Å; V30-W41 HydrophobicContact CG1-CB 4.42Å; V30-W41 HydrophobicContact CG1-CD2 4.02Å; V30-W41 HydrophobicContact CG1-CE3 3.27Å; V30-W41 HydrophobicContact CG1-CZ3 3.82Å; T31-W41 CarbonylContact O-C 3.55Å; T31-W41 VanDerWaalsContact O-CA 3.29Å; T31-W41 WeakPolarHBondContact O-CA 3.23Å; T31-W41 WeakPolarHBondContact O-CB 3.28Å; L32-W41 HydrophobicContact CD2-CG 4.13Å; L38-W41 PolarHBondContact O-NE1 3.38Å; W41-H61 VanDerWaalsContact O-CA 3.31Å; W41-H61 WeakPolarHBondContact O-CA 3.1Å; W41-L62 HydrophobicContact CB-CB 4.23Å; W41-L62 PolarHBondContact N-O 3.48Å; W41-L62 PolarHBondContact O-N 2.98Å; W41-F64 HydrophobicContact CB-CE2 4.28Å; W41-F64 AromaticContact CD1-CE2 3.63Å; W41-F64 AromaticContact CD2-CE2 3.43Å; W41-F64 HydrophobicContact CD2-CE2 3.43Å; W41-F64 VanDerWaalsContact CD2-CE2 3.43Å; W41-F64 AromaticContact CD2-CZ 3.69Å; W41-F64 HydrophobicContact CD2-CZ 3.69Å; W41-F64 AromaticContact CE2-CE2 3.47Å; W41-F64 VanDerWaalsContact CE2-CE2 3.47Å; W41-F64 AromaticContact CE2-CZ 3.74Å; W41-F64 AromaticContact CE3-CE2 3.99Å; W41-F64 HydrophobicContact CE3-CE2 3.99Å; W41-F64 AromaticContact CE3-CZ 3.78Å; W41-F64 HydrophobicContact CE3-CZ 3.78Å; W41-F64 AromaticContact CG-CE2 3.55Å; W41-F64 HydrophobicContact CG-CE2 3.55Å; W41-F64 HydrophobicContact CG-CZ 4.27Å; W41-F64 HydrophobicContact CH2-CZ 4.07Å; W41-F64 HydrophobicContact CZ2-CE2 4.08Å; W41-F64 AromaticContact CZ2-CZ 3.93Å; W41-F64 HydrophobicContact CZ2-CZ 3.93Å; W41-F64 AromaticContact CZ3-CZ 4Å; W41-F64 HydrophobicContact CZ3-CZ 4Å; W41-F64 AromaticContact NE1-CE2 3.54Å; W41-V120 HydrophobicContact CE3-CG1 4.33Å; W41-V120 HydrophobicContact CE3-CG2 4.5Å; W41-V120 HydrophobicContact CH2-CG2 4.19Å; W41-V120 HydrophobicContact CZ3-CB 4.19Å; W41-V120 HydrophobicContact CZ3-CG1 3.92Å; W41-V120 HydrophobicContact CZ3-CG2 3.84Å |
| 42 | E | 97.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 132.9 | 165.9 | -174.7 | 172.1 | 107.9 | 0 | 0 | 109 | T31 V33 K59 | T31-E42 PolarHBondContact N-O 3.26Å; T31-E42 PolarHBondContact O-N 3.11Å; V33-E42 HydrophobicContact CG2-CB 4.14Å; E42-K59 VanDerWaalsContact CD-NZ 3.29Å; E42-K59 WeakPolarHBondContact OE1-CE 3.39Å; E42-K59 IonicContact OE1-NZ 3.08Å; E42-K59 PolarHBondContact OE1-NZ 2.94Å; E42-K59 WeakPolarHBondContact OE2-CE 3.44Å; E42-K59 IonicContact OE2-NZ 2.88Å; E42-K59 PolarHBondContact OE2-NZ 3.4Å |
| 43 | V | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113.7 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | F28 R29 I45 K59 A60 L62 F75 L124 | F28-V43 HydrophobicContact CD1-CG1 3.59Å; F28-V43 HydrophobicContact CE1-CG1 4.15Å; R29-V43 WeakPolarHBondContact O-CA 3.14Å; V43-I45 HydrophobicContact CG1-CD1 4.2Å; V43-I45 HydrophobicContact CG1-CG1 3.83Å; V43-K59 WeakPolarHBondContact O-CA 3.44Å; V43-A60 HydrophobicContact CB-CB 4.36Å; V43-A60 PolarHBondContact N-O 3.47Å; V43-A60 PolarHBondContact O-N 3.02Å; V43-L62 HydrophobicContact CG2-CB 4.3Å; V43-L62 HydrophobicContact CG2-CD1 4.45Å; V43-F75 HydrophobicContact CG2-CE2 4.4Å; V43-L124 HydrophobicContact CG1-CD2 4.05Å |
| 44 | A | 96.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F28 R29 Y57 | F28-A44 CarbonylContact C-O 3.51Å; F28-A44 WeakPolarHBondContact CA-O 3.19Å; R29-A44 HydrophobicContact CB-CB 4.13Å; R29-A44 PolarHBondContact N-O 3.4Å; R29-A44 PolarHBondContact O-N 3.49Å; A44-Y57 HydrophobicContact CB-CE2 3.72Å |
| 45 | I | 95.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.6 | -173 | -51.9 | 175.9 | 0 | 0 | 0 | 108.6 | G27 F28 V43 F58 A60 F75 F77 | G27-I45 CarbonylContact O-C 3.53Å; G27-I45 WeakPolarHBondContact O-CA 3.49Å; F28-I45 HydrophobicContact CD1-CD1 4.31Å; F28-I45 HydrophobicContact CD1-CG1 3.79Å; F28-I45 HydrophobicContact CE1-CB 4.3Å; F28-I45 HydrophobicContact CE1-CD1 3.59Å; F28-I45 HydrophobicContact CE1-CG1 3.5Å; F28-I45 VanDerWaalsContact CE1-CG1 3.5Å; F28-I45 HydrophobicContact CE1-CG2 4Å; F28-I45 HydrophobicContact CE2-CG2 4.05Å; F28-I45 HydrophobicContact CZ-CB 4.47Å; F28-I45 HydrophobicContact CZ-CD1 4.18Å; F28-I45 HydrophobicContact CZ-CG1 4.11Å; F28-I45 HydrophobicContact CZ-CG2 3.68Å; V43-I45 HydrophobicContact CG1-CD1 4.2Å; V43-I45 HydrophobicContact CG1-CG1 3.83Å; I45-F58 HydrophobicContact CB-CB 4.24Å; I45-F58 PolarHBondContact N-O 2.99Å; I45-F58 PolarHBondContact O-N 3.02Å; I45-A60 HydrophobicContact CD1-CB 4.21Å; I45-F75 HydrophobicContact CD1-CZ 3.99Å; I45-F77 HydrophobicContact CD1-CE1 3.68Å; I45-F77 HydrophobicContact CD1-CZ 4.05Å |
| 46 | F | 94.8 | Very high | 94 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 134.8 | 177.9 | -55.9 | -70 | 0 | 0 | 0 | 109.8 | G27 R29 G56 Y57 V181 V183 P184 Y190 | G27-F46 WeakPolarHBondContact O-CD2 3.33Å; G27-F46 PolarHBondContact O-N 2.98Å; R29-F46 HydrophobicContact CG-CE2 3.96Å; F46-G56 WeakPolarHBondContact CA-O 3.42Å; F46-Y57 HydrophobicContact CD1-CD2 4.08Å; F46-Y57 AromaticContact CE1-CD2 3.56Å; F46-Y57 HydrophobicContact CE1-CD2 3.56Å; F46-Y57 HydrophobicContact CE1-CE2 4.07Å; F46-Y57 HydrophobicContact CZ-CD2 4.31Å; F46-Y57 HydrophobicContact CZ-CE2 4.4Å; F46-V181 HydrophobicContact CE1-CG1 3.59Å; F46-V181 HydrophobicContact CZ-CG1 3.78Å; F46-V183 HydrophobicContact CD1-CG1 4.08Å; F46-V183 HydrophobicContact CD1-CG2 4.47Å; F46-P184 HydrophobicContact CB-CG 3.84Å; F46-P184 HydrophobicContact CD1-CG 4.31Å; F46-P184 HydrophobicContact CD2-CG 4.36Å; F46-P184 HydrophobicContact CG-CG 3.9Å; F46-Y190 HydrophobicContact CB-CE2 4.24Å; F46-Y190 WeakPolarHBondContact O-CE2 3.31Å |
| 47 | G | 92.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 130.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y53 G56 | G47-Y53 WeakPolarHBondContact CA-O 3.45Å; G47-G56 PolarHBondContact N-O 3.26Å |
| 48 | P | 90.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 20% | 0.195 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 146.4 | -179.6 | -14.6 | 23.7 | 0 | 0 | 0 | 112.4 | T51 E54 Y190 | P48-T51 HydrophobicContact CB-CG2 3.87Å; P48-T51 HydrophobicContact CG-CG2 4.24Å; P48-T51 WeakPolarHBondContact O-CB 3.4Å; P48-T51 PolarHBondContact O-N 3.45Å; P48-T51 PolarHBondContact O-OG1 2.89Å; P48-E54 WeakPolarHBondContact O-CA 3.42Å; P48-Y190 HydrophobicContact CB-CE1 4.34Å; P48-Y190 HydrophobicContact CB-CE2 4.15Å; P48-Y190 HydrophobicContact CG-CE2 4.33Å |
| 49 | P | 88.5 | Confident | 94.4 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 149.8 | 171.6 | -22.7 | 33.1 | 0 | 0 | 0 | 112.4 | T51 Y190 | P49-T51 PolarHBondContact O-N 3.13Å; P49-Y190 HydrophobicContact CG-CG 4.38Å |
| 50 | N | 86.8 | Confident | 94.4 | Very high | 150 Ų | 150 | 27.9 Ų | 27.9 | 80% | 0.802 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 25.1 | -177.5 | -46.8 | -71.4 | 0 | 0 | 0 | 114.1 | E54 | N50-E54 PolarHBondContact N-OE2 2.93Š|
| 51 | T | 89.5 | Confident | 94.4 | Very high | 43 Ų | 43 | 28 Ų | 28 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -121 | 165.9 | 172.5 | 75.6 | 0 | 0 | 0 | 0 | 110.3 | P48 P49 Y53 E54 | P48-T51 HydrophobicContact CB-CG2 3.87Å; P48-T51 HydrophobicContact CG-CG2 4.24Å; P48-T51 WeakPolarHBondContact O-CB 3.4Å; P48-T51 PolarHBondContact O-N 3.45Å; P48-T51 PolarHBondContact O-OG1 2.89Å; P49-T51 PolarHBondContact O-N 3.13Å; T51-Y53 PolarHBondContact O-N 2.94Å; T51-Y53 VanDerWaalsContact O-N 3.16Å; T51-Y53 PolarHBondContact OG1-N 3.36Å; T51-Y53 VanDerWaalsContact OG1-N 3.15Å; T51-E54 WeakPolarHBondContact O-CB 3.23Å; T51-E54 PolarHBondContact O-N 3.26Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 PolarHBondContact OG1-N 3.48Å |
| 52 | Y | 91.3 | Very high | 94.4 | Very high | 91 Ų | 91 | 28 Ų | 28 | 36% | 0.357 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.3 | 171.8 | -66.5 | -76.9 | 0 | 0 | 0 | 113.3 | W151 T162 V169 | Y52-W151 HydrophobicContact CE2-CH2 4.17Å; Y52-W151 AromaticContact CE2-CZ2 3.59Å; Y52-W151 HydrophobicContact CE2-CZ2 3.59Å; Y52-T162 HydrophobicContact CD1-CG2 3.72Å; Y52-T162 HydrophobicContact CD2-CG2 4.05Å; Y52-T162 HydrophobicContact CE1-CG2 3.36Å; Y52-T162 HydrophobicContact CE2-CG2 3.75Å; Y52-T162 HydrophobicContact CG-CG2 4.04Å; Y52-V169 WeakPolarHBondContact O-CG2 3.45Å |
| 53 | Y | 93.6 | Very high | 94.4 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7.6 | 177.3 | -62.9 | -76.5 | 0 | 0 | 0 | 113.2 | G47 T51 G55 G56 F58 M81 H83 I165 V169 | G47-Y53 WeakPolarHBondContact CA-O 3.45Å; T51-Y53 PolarHBondContact O-N 2.94Å; T51-Y53 VanDerWaalsContact O-N 3.16Å; T51-Y53 PolarHBondContact OG1-N 3.36Å; T51-Y53 VanDerWaalsContact OG1-N 3.15Å; Y53-G55 PolarHBondContact O-N 3.32Å; Y53-G56 WeakPolarHBondContact O-CA 3.47Å; Y53-G56 PolarHBondContact O-N 3.01Å; Y53-F58 HydrophobicContact CD1-CE2 4.07Å; Y53-F58 AromaticContact CD1-CZ 3.74Å; Y53-F58 HydrophobicContact CD1-CZ 3.74Å; Y53-M81 HydrophobicContact CE1-CE 4.04Å; Y53-H83 PolarHBondContact OH-CD2 2.97Å; Y53-I165 HydrophobicContact CD1-CG2 3.65Å; Y53-I165 HydrophobicContact CE1-CD1 4.28Å; Y53-I165 HydrophobicContact CE1-CG2 3.5Å; Y53-I165 VanDerWaalsContact CE1-CG2 3.5Å; Y53-I165 HydrophobicContact CG-CG2 4.24Å; Y53-V169 HydrophobicContact CD1-CG2 4.46Å |
| 54 | E | 93.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 40% | 0.397 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 130.4 | -175.9 | 178 | 178.9 | 149.7 | 0 | 0 | 112.6 | P48 N50 T51 G56 V169 | P48-E54 WeakPolarHBondContact O-CA 3.42Å; N50-E54 PolarHBondContact N-OE2 2.93Å; T51-E54 WeakPolarHBondContact O-CB 3.23Å; T51-E54 PolarHBondContact O-N 3.26Å; T51-E54 VanDerWaalsContact O-N 3.14Å; T51-E54 PolarHBondContact OG1-N 3.48Å; E54-G56 PolarHBondContact O-N 3.21Å; E54-V169 WeakPolarHBondContact O-CG1 3.49Å |
| 55 | G | 93 | Very high | 94.5 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y53 | Y53-G55 PolarHBondContact O-N 3.32Š|
| 56 | G | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -78.9 | 146.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F46 G47 Y53 E54 T172 | F46-G56 WeakPolarHBondContact CA-O 3.42Å; G47-G56 PolarHBondContact N-O 3.26Å; Y53-G56 WeakPolarHBondContact O-CA 3.47Å; Y53-G56 PolarHBondContact O-N 3.01Å; E54-G56 PolarHBondContact O-N 3.21Å; G56-T172 WeakPolarHBondContact CA-OG1 3.01Å | ||
| 57 | Y | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 99.5 | 174 | 173.3 | -118.7 | 0 | 0 | 0 | 110.1 | A44 F46 K59 T172 D175 A176 D179 V181 | A44-Y57 HydrophobicContact CB-CE2 3.72Å; F46-Y57 HydrophobicContact CD1-CD2 4.08Å; F46-Y57 AromaticContact CE1-CD2 3.56Å; F46-Y57 HydrophobicContact CE1-CD2 3.56Å; F46-Y57 HydrophobicContact CE1-CE2 4.07Å; F46-Y57 HydrophobicContact CZ-CD2 4.31Å; F46-Y57 HydrophobicContact CZ-CE2 4.4Å; Y57-K59 HydrophobicContact CE1-CD 4.02Å; Y57-K59 HydrophobicContact CE1-CG 4.01Å; Y57-T172 PolarHBondContact N-OG1 2.94Å; Y57-T172 WeakPolarHBondContact O-CB 3.07Å; Y57-T172 VanDerWaalsContact O-CG2 3.23Å; Y57-T172 WeakPolarHBondContact O-CG2 3.36Å; Y57-D175 HydrophobicContact CD1-CB 4Å; Y57-D175 HydrophobicContact CE1-CB 4.21Å; Y57-A176 VanDerWaalsContact CD1-CA 3.48Å; Y57-A176 HydrophobicContact CD1-CB 3.71Å; Y57-A176 HydrophobicContact CE1-CB 4.48Å; Y57-A176 HydrophobicContact CG-CB 3.97Å; Y57-D179 HydrophobicContact CE1-CB 4.33Å; Y57-D179 PolarHBondContact OH-OD2 2.93Å; Y57-V181 HydrophobicContact CD2-CG1 4.2Å; Y57-V181 HydrophobicContact CE2-CB 4.33Å; Y57-V181 HydrophobicContact CE2-CG1 4.01Å; Y57-V181 HydrophobicContact CE2-CG2 4.19Å |
| 58 | F | 97.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 139.1 | -176.2 | -49.2 | -84.4 | 0 | 0 | 0 | 110 | I45 Y53 F77 T79 M81 V169 T172 | I45-F58 HydrophobicContact CB-CB 4.24Å; I45-F58 PolarHBondContact N-O 2.99Å; I45-F58 PolarHBondContact O-N 3.02Å; Y53-F58 HydrophobicContact CD1-CE2 4.07Å; Y53-F58 AromaticContact CD1-CZ 3.74Å; Y53-F58 HydrophobicContact CD1-CZ 3.74Å; F58-F77 HydrophobicContact CB-CD1 4.28Å; F58-F77 HydrophobicContact CB-CE1 4.14Å; F58-T79 HydrophobicContact CD1-CG2 3.8Å; F58-M81 HydrophobicContact CD1-CE 3.88Å; F58-M81 HydrophobicContact CD1-SD 3.31Å; F58-M81 WeakPolarHBondContact CD1-SD 3.47Å; F58-M81 HydrophobicContact CE1-CE 4.02Å; F58-M81 HydrophobicContact CE1-SD 3.7Å; F58-M81 HydrophobicContact CG-CE 4.31Å; F58-M81 HydrophobicContact CG-SD 4.11Å; F58-V169 HydrophobicContact CZ-CG2 3.86Å; F58-T172 HydrophobicContact CD1-CG2 3.88Å; F58-T172 HydrophobicContact CE1-CG2 3.78Å; F58-T172 HydrophobicContact CZ-CG2 4.45Å |
| 59 | K | 97.6 | Very high | 94.9 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.1 | 176.5 | -58.6 | -172 | 67.3 | 161.7 | 0 | 109.6 | E42 V43 Y57 L78 T79 D179 | E42-K59 VanDerWaalsContact CD-NZ 3.29Å; E42-K59 WeakPolarHBondContact OE1-CE 3.39Å; E42-K59 IonicContact OE1-NZ 3.08Å; E42-K59 PolarHBondContact OE1-NZ 2.94Å; E42-K59 WeakPolarHBondContact OE2-CE 3.44Å; E42-K59 IonicContact OE2-NZ 2.88Å; E42-K59 PolarHBondContact OE2-NZ 3.4Å; V43-K59 WeakPolarHBondContact O-CA 3.44Å; Y57-K59 HydrophobicContact CE1-CD 4.02Å; Y57-K59 HydrophobicContact CE1-CG 4.01Å; K59-L78 HydrophobicContact CB-CB 4.22Å; K59-L78 HydrophobicContact CB-CD1 4.23Å; K59-L78 PolarHBondContact O-N 2.93Å; K59-T79 PolarHBondContact N-OG1 2.9Å; K59-T79 PolarHBondContact O-N 2.9Å; K59-D179 WeakPolarHBondContact CD-OD2 3.37Å; K59-D179 IonicContact NZ-OD2 3.59Å; K59-D179 PolarHBondContact NZ-OD2 2.84Å |
| 60 | A | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V43 I45 F75 W76 F77 | V43-A60 HydrophobicContact CB-CB 4.36Å; V43-A60 PolarHBondContact N-O 3.47Å; V43-A60 PolarHBondContact O-N 3.02Å; I45-A60 HydrophobicContact CD1-CB 4.21Å; A60-F75 HydrophobicContact CB-CE1 3.76Å; A60-F75 HydrophobicContact CB-CE2 3.97Å; A60-F75 HydrophobicContact CB-CZ 3.38Å; A60-W76 CarbonylContact C-O 3.54Å; A60-W76 WeakPolarHBondContact CA-O 3.5Å; A60-W76 VanDerWaalsContact CB-O 3.3Å; A60-W76 WeakPolarHBondContact CB-O 3.25Å; A60-F77 HydrophobicContact CB-CD1 4.1Å; A60-F77 HydrophobicContact CB-CE1 4.48Å; A60-F77 HydrophobicContact CB-CG 4.36Å |
| 61 | H | 98.2 | Very high | 95.6 | Very high | 35 Ų | 35 | 42 Ų | 42 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146 | 173.2 | -84.1 | -169.3 | 0 | 0 | 0 | 110.5 | W41 F75 W76 | W41-H61 VanDerWaalsContact O-CA 3.31Å; W41-H61 WeakPolarHBondContact O-CA 3.1Å; H61-F75 WeakPolarHBondContact O-CA 3.36Å; H61-W76 HydrophobicContact CB-CD2 4Å; H61-W76 VanDerWaalsContact CB-CE2 3.48Å; H61-W76 HydrophobicContact CB-CE3 4.33Å; H61-W76 HydrophobicContact CB-CH2 3.73Å; H61-W76 HydrophobicContact CB-CZ2 3.35Å; H61-W76 HydrophobicContact CB-CZ3 4.19Å; H61-W76 AromaticContact CG-CZ2 3.93Å; H61-W76 PolarHBondContact N-O 3.49Å; H61-W76 AromaticContact ND1-CZ2 3.67Å; H61-W76 PolarHBondContact O-N 2.8Å; H61-W76 VanDerWaalsContact O-N 3.12Å |
| 62 | L | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114.7 | 173.8 | -140.4 | 157.9 | 0 | 0 | 0 | 107.8 | W41 V43 F64 P73 T74 F75 V120 | W41-L62 HydrophobicContact CB-CB 4.23Å; W41-L62 PolarHBondContact N-O 3.48Å; W41-L62 PolarHBondContact O-N 2.98Å; V43-L62 HydrophobicContact CG2-CB 4.3Å; V43-L62 HydrophobicContact CG2-CD1 4.45Å; L62-F64 HydrophobicContact CB-CE2 4.35Å; L62-F64 HydrophobicContact CD2-CD1 4.09Å; L62-F64 HydrophobicContact CD2-CD2 4.25Å; L62-F64 HydrophobicContact CD2-CE1 3.56Å; L62-F64 HydrophobicContact CD2-CE2 3.69Å; L62-F64 HydrophobicContact CD2-CG 4.45Å; L62-F64 HydrophobicContact CD2-CZ 3.37Å; L62-F64 HydrophobicContact CG-CZ 4.4Å; L62-P73 HydrophobicContact CD2-CB 3.31Å; L62-P73 HydrophobicContact CD2-CG 3.56Å; L62-T74 WeakPolarHBondContact CA-O 3.39Å; L62-F75 HydrophobicContact CB-CD2 4.49Å; L62-F75 HydrophobicContact CD1-CD2 3.83Å; L62-F75 HydrophobicContact CD1-CE2 4.38Å; L62-F75 HydrophobicContact CG-CD2 3.94Å; L62-V120 HydrophobicContact CD1-CG1 3.92Å |
| 63 | K | 98.4 | Very high | 96.3 | Very high | 102 Ų | 102 | 37 Ų | 37 | 44% | 0.443 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.4 | 179.7 | 179.2 | 175.8 | -176.6 | 172.6 | 0 | 111 | Y39 N40 P73 T74 W76 | Y39-K63 WeakPolarHBondContact O-CA 3.34Å; N40-K63 WeakPolarHBondContact OD1-CG 3.4Å; K63-P73 CarbonylContact O-C 3.35Å; K63-P73 VanDerWaalsContact O-CA 3.27Å; K63-P73 WeakPolarHBondContact O-CA 3.24Å; K63-P73 WeakPolarHBondContact O-CB 3.49Å; K63-T74 PolarHBondContact N-O 3.02Å; K63-T74 PolarHBondContact O-N 2.79Å; K63-T74 PolarHBondContact O-OG1 2.87Å; K63-W76 HydrophobicContact CB-CH2 3.67Å; K63-W76 HydrophobicContact CB-CZ3 3.63Å; K63-W76 HydrophobicContact CD-CH2 4.35Å |
| 64 | F | 98.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.035 | 20% | 0.199 | C | C | . | . | trans | -96.9 | 143.2 | -174.3 | -59 | -92.9 | 0 | 0 | 0 | 111.3 | L13 Y39 W41 L62 Y68 P73 V120 | L13-F64 HydrophobicContact CD1-CB 4.2Å; L13-F64 HydrophobicContact CD1-CG 4.31Å; L13-F64 HydrophobicContact CD2-CB 4.22Å; L13-F64 HydrophobicContact CD2-CD1 3.32Å; L13-F64 HydrophobicContact CD2-CD2 3.95Å; L13-F64 HydrophobicContact CD2-CE1 3.4Å; L13-F64 VanDerWaalsContact CD2-CE1 3.4Å; L13-F64 HydrophobicContact CD2-CE2 4.06Å; L13-F64 HydrophobicContact CD2-CG 3.56Å; L13-F64 HydrophobicContact CD2-CZ 3.75Å; Y39-F64 HydrophobicContact CD1-CB 3.9Å; Y39-F64 WeakPolarHBondContact O-CD2 3.44Å; Y39-F64 PolarHBondContact O-N 3.03Å; W41-F64 HydrophobicContact CB-CE2 4.28Å; W41-F64 AromaticContact CD1-CE2 3.63Å; W41-F64 AromaticContact CD2-CE2 3.43Å; W41-F64 HydrophobicContact CD2-CE2 3.43Å; W41-F64 VanDerWaalsContact CD2-CE2 3.43Å; W41-F64 AromaticContact CD2-CZ 3.69Å; W41-F64 HydrophobicContact CD2-CZ 3.69Å; W41-F64 AromaticContact CE2-CE2 3.47Å; W41-F64 VanDerWaalsContact CE2-CE2 3.47Å; W41-F64 AromaticContact CE2-CZ 3.74Å; W41-F64 AromaticContact CE3-CE2 3.99Å; W41-F64 HydrophobicContact CE3-CE2 3.99Å; W41-F64 AromaticContact CE3-CZ 3.78Å; W41-F64 HydrophobicContact CE3-CZ 3.78Å; W41-F64 AromaticContact CG-CE2 3.55Å; W41-F64 HydrophobicContact CG-CE2 3.55Å; W41-F64 HydrophobicContact CG-CZ 4.27Å; W41-F64 HydrophobicContact CH2-CZ 4.07Å; W41-F64 HydrophobicContact CZ2-CE2 4.08Å; W41-F64 AromaticContact CZ2-CZ 3.93Å; W41-F64 HydrophobicContact CZ2-CZ 3.93Å; W41-F64 AromaticContact CZ3-CZ 4Å; W41-F64 HydrophobicContact CZ3-CZ 4Å; W41-F64 AromaticContact NE1-CE2 3.54Å; L62-F64 HydrophobicContact CB-CE2 4.35Å; L62-F64 HydrophobicContact CD2-CD1 4.09Å; L62-F64 HydrophobicContact CD2-CD2 4.25Å; L62-F64 HydrophobicContact CD2-CE1 3.56Å; L62-F64 HydrophobicContact CD2-CE2 3.69Å; L62-F64 HydrophobicContact CD2-CG 4.45Å; L62-F64 HydrophobicContact CD2-CZ 3.37Å; L62-F64 HydrophobicContact CG-CZ 4.4Å; F64-Y68 HydrophobicContact CD1-CD1 4.38Å; F64-Y68 AromaticContact CD1-CD2 3.65Å; F64-Y68 HydrophobicContact CD1-CD2 3.65Å; F64-Y68 HydrophobicContact CD1-CE1 4.49Å; F64-Y68 AromaticContact CD1-CE2 3.77Å; F64-Y68 HydrophobicContact CD1-CE2 3.77Å; F64-Y68 AromaticContact CD1-CG 3.97Å; F64-Y68 HydrophobicContact CD1-CG 3.97Å; F64-Y68 HydrophobicContact CE1-CD2 4.32Å; F64-Y68 AromaticContact CE1-CE2 3.96Å; F64-Y68 HydrophobicContact CE1-CE2 3.96Å; F64-P73 HydrophobicContact CD1-CB 3.76Å; F64-P73 HydrophobicContact CD1-CG 4.3Å; F64-P73 HydrophobicContact CE1-CB 4.19Å; F64-P73 HydrophobicContact CE1-CG 4.38Å; F64-P73 HydrophobicContact CG-CB 4.27Å; F64-V120 HydrophobicContact CE1-CG2 3.47Å; F64-V120 VanDerWaalsContact CE1-CG2 3.47Å; F64-V120 HydrophobicContact CZ-CG2 3.52Å | ||
| 65 | P | 96.9 | Very high | 96.7 | Very high | 34 Ų | 34 | 35.3 Ų | 35.3 | 22% | 0.221 | 18% | 0.181 | C | C | . | . | trans | -78.8 | 162.8 | 170.4 | 36.6 | -37.8 | 0 | 0 | 0 | 110.8 | D67 Y68 S71 | P65-D67 VanDerWaalsContact CB-OD1 3.27Å; P65-D67 WeakPolarHBondContact CB-OD1 3.39Å; P65-D67 WeakPolarHBondContact CG-OD1 3.44Å; P65-D67 PolarHBondContact O-N 3.37Å; P65-Y68 WeakPolarHBondContact O-CB 3.44Å; P65-Y68 PolarHBondContact O-N 3.3Å; P65-S71 WeakPolarHBondContact CG-O 3.48Å | ||
| 66 | I | 95.4 | Very high | 96.9 | Very high | 122 Ų | 122 | 36.9 Ų | 36.9 | 63% | 0.626 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -26.4 | -176.8 | -167.1 | 59 | 0 | 0 | 0 | 112.9 | S9 Y39 | S9-I66 VanDerWaalsContact CB-O 3.23Å; S9-I66 WeakPolarHBondContact CB-O 3.46Å; S9-I66 PolarHBondContact OG-O 3.43Å; Y39-I66 HydrophobicContact CE1-CD1 4.13Å; Y39-I66 HydrophobicContact CE2-CD1 4.4Å; Y39-I66 WeakPolarHBondContact OH-CD1 3.48Å |
| 67 | D | 95 | Very high | 97.1 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.353 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 14.1 | -178.9 | 68.3 | -35.5 | 0 | 0 | 0 | 113 | P65 Y70 S71 | P65-D67 VanDerWaalsContact CB-OD1 3.27Å; P65-D67 WeakPolarHBondContact CB-OD1 3.39Å; P65-D67 WeakPolarHBondContact CG-OD1 3.44Å; P65-D67 PolarHBondContact O-N 3.37Å; D67-Y70 WeakPolarHBondContact O-CB 3.1Å; D67-Y70 VanDerWaalsContact O-CD2 3.28Å; D67-Y70 WeakPolarHBondContact O-CD2 3.4Å; D67-Y70 PolarHBondContact O-N 3.18Å; D67-S71 WeakPolarHBondContact OD1-CB 3.49Å; D67-S71 PolarHBondContact OD1-OG 3.11Å; D67-S71 WeakPolarHBondContact OD2-CB 3.47Å; D67-S71 PolarHBondContact OD2-OG 3.06Å |
| 68 | Y | 96.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.3 | 171.8 | -177.7 | -93.3 | 0 | 0 | 0 | 111.5 | S9 V12 L13 E16 F64 P65 P73 W114 | S9-Y68 WeakPolarHBondContact CA-O 3.46Å; S9-Y68 WeakPolarHBondContact CB-O 3.38Å; V12-Y68 HydrophobicContact CB-CE1 4.49Å; V12-Y68 HydrophobicContact CG1-CD1 4.19Å; V12-Y68 HydrophobicContact CG1-CE1 3.71Å; L13-Y68 HydrophobicContact CD2-CD1 3.58Å; L13-Y68 HydrophobicContact CD2-CE1 3.72Å; L13-Y68 HydrophobicContact CD2-CG 4.19Å; L13-Y68 HydrophobicContact CG-CD1 3.97Å; L13-Y68 HydrophobicContact CG-CE1 4.4Å; E16-Y68 VanDerWaalsContact CD-OH 3.24Å; E16-Y68 WeakPolarHBondContact OE1-CE1 3.07Å; E16-Y68 PolarHBondContact OE1-OH 3.16Å; E16-Y68 PolarHBondContact OE2-OH 2.91Å; E16-Y68 VanDerWaalsContact OE2-OH 3.13Å; F64-Y68 HydrophobicContact CD1-CD1 4.38Å; F64-Y68 AromaticContact CD1-CD2 3.65Å; F64-Y68 HydrophobicContact CD1-CD2 3.65Å; F64-Y68 HydrophobicContact CD1-CE1 4.49Å; F64-Y68 AromaticContact CD1-CE2 3.77Å; F64-Y68 HydrophobicContact CD1-CE2 3.77Å; F64-Y68 AromaticContact CD1-CG 3.97Å; F64-Y68 HydrophobicContact CD1-CG 3.97Å; F64-Y68 HydrophobicContact CE1-CD2 4.32Å; F64-Y68 AromaticContact CE1-CE2 3.96Å; F64-Y68 HydrophobicContact CE1-CE2 3.96Å; P65-Y68 WeakPolarHBondContact O-CB 3.44Å; P65-Y68 PolarHBondContact O-N 3.3Å; Y68-P73 HydrophobicContact CE2-CG 4.45Å; Y68-W114 HydrophobicContact CD2-CH2 4.45Å; Y68-W114 HydrophobicContact CD2-CZ2 4.05Å; Y68-W114 AromaticContact CE2-CH2 3.59Å; Y68-W114 HydrophobicContact CE2-CH2 3.59Å; Y68-W114 AromaticContact CE2-CZ2 3.57Å; Y68-W114 HydrophobicContact CE2-CZ2 3.57Å |
| 69 | P | 95.5 | Very high | 97 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 13% | 0.13 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.3 | 14.5 | 7.6 | 37.2 | -36.7 | 0 | 0 | 0 | 115.2 | W114 P116 | P69-W114 HydrophobicContact CB-CZ2 4.26Å; P69-W114 PolarHBondContact O-NE1 3.36Å; P69-P116 HydrophobicContact CG-CB 4.42Å |
| 70 | Y | 93.8 | Very high | 96.9 | Very high | 165 Ų | 165 | 48.3 Ų | 48.3 | 65% | 0.647 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -67.6 | -39.9 | -179.6 | -62.6 | -73.2 | 0 | 0 | 0 | 112.4 | D67 W114 P116 | D67-Y70 WeakPolarHBondContact O-CB 3.1Å; D67-Y70 VanDerWaalsContact O-CD2 3.28Å; D67-Y70 WeakPolarHBondContact O-CD2 3.4Å; D67-Y70 PolarHBondContact O-N 3.18Å; Y70-W114 PolarHBondContact O-NE1 3.44Å; Y70-P116 HydrophobicContact CD1-CB 4.32Å; Y70-P116 HydrophobicContact CD1-CG 3.81Å; Y70-P116 HydrophobicContact CE1-CG 4.32Å |
| 71 | S | 94.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -103.9 | 145.8 | 171.5 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | P65 D67 W114 | P65-S71 WeakPolarHBondContact CG-O 3.48Å; D67-S71 WeakPolarHBondContact OD1-CB 3.49Å; D67-S71 PolarHBondContact OD1-OG 3.11Å; D67-S71 WeakPolarHBondContact OD2-CB 3.47Å; D67-S71 PolarHBondContact OD2-OG 3.06Å; S71-W114 VanDerWaalsContact C-NE1 3.26Å |
| 72 | P | 97 | Very high | 96.9 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -68 | 150.1 | 179.4 | 24.9 | -30.3 | 0 | 0 | 0 | 111.6 | L97 W114 | P72-L97 WeakPolarHBondContact CB-O 3.27Å; P72-L97 WeakPolarHBondContact CG-O 3.36Å; P72-W114 VanDerWaalsContact CA-CE2 3.42Å; P72-W114 HydrophobicContact CB-CB 3.94Å; P72-W114 HydrophobicContact CB-CD2 3.53Å; P72-W114 HydrophobicContact CB-CE3 3.99Å; P72-W114 HydrophobicContact CB-CG 3.5Å; P72-W114 VanDerWaalsContact CB-CG 3.5Å; P72-W114 VanDerWaalsContact CD-CD1 3.46Å; P72-W114 HydrophobicContact CG-CB 4.17Å; P72-W114 HydrophobicContact CG-CD2 4.5Å; P72-W114 HydrophobicContact CG-CG 3.98Å |
| 73 | P | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73 | 168.5 | 164.9 | 33.4 | -34.3 | 0 | 0 | 0 | 111.6 | L62 K63 F64 Y68 L97 W114 I123 | L62-P73 HydrophobicContact CD2-CB 3.31Å; L62-P73 HydrophobicContact CD2-CG 3.56Å; K63-P73 CarbonylContact O-C 3.35Å; K63-P73 VanDerWaalsContact O-CA 3.27Å; K63-P73 WeakPolarHBondContact O-CA 3.24Å; K63-P73 WeakPolarHBondContact O-CB 3.49Å; F64-P73 HydrophobicContact CD1-CB 3.76Å; F64-P73 HydrophobicContact CD1-CG 4.3Å; F64-P73 HydrophobicContact CE1-CB 4.19Å; F64-P73 HydrophobicContact CE1-CG 4.38Å; F64-P73 HydrophobicContact CG-CB 4.27Å; Y68-P73 HydrophobicContact CE2-CG 4.45Å; P73-L97 HydrophobicContact CG-CD2 4.19Å; P73-W114 HydrophobicContact CG-CH2 4.47Å; P73-I123 HydrophobicContact CG-CD1 3.42Å; P73-I123 VanDerWaalsContact CG-CD1 3.42Å |
| 74 | T | 97.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136 | 169.6 | 46 | 0 | 0 | 0 | 0 | 109.9 | L62 K63 | L62-T74 WeakPolarHBondContact CA-O 3.39Å; K63-T74 PolarHBondContact N-O 3.02Å; K63-T74 PolarHBondContact O-N 2.79Å; K63-T74 PolarHBondContact O-OG1 2.87Å |
| 75 | F | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 1% | 0.013 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.6 | 178.9 | -175.1 | -78 | 0 | 0 | 0 | 110 | V43 I45 A60 H61 L62 F77 V92 L97 L124 V127 | V43-F75 HydrophobicContact CG2-CE2 4.4Å; I45-F75 HydrophobicContact CD1-CZ 3.99Å; A60-F75 HydrophobicContact CB-CE1 3.76Å; A60-F75 HydrophobicContact CB-CE2 3.97Å; A60-F75 HydrophobicContact CB-CZ 3.38Å; H61-F75 WeakPolarHBondContact O-CA 3.36Å; L62-F75 HydrophobicContact CB-CD2 4.49Å; L62-F75 HydrophobicContact CD1-CD2 3.83Å; L62-F75 HydrophobicContact CD1-CE2 4.38Å; L62-F75 HydrophobicContact CG-CD2 3.94Å; F75-F77 HydrophobicContact CE1-CD2 4.06Å; F75-F77 AromaticContact CE1-CE2 3.76Å; F75-F77 HydrophobicContact CE1-CE2 3.76Å; F75-F77 HydrophobicContact CE1-CZ 4.11Å; F75-V92 HydrophobicContact CD1-CB 4Å; F75-V92 HydrophobicContact CD1-CG2 3.44Å; F75-V92 VanDerWaalsContact CD1-CG2 3.44Å; F75-V92 HydrophobicContact CE1-CG2 3.71Å; F75-V92 PolarHBondContact O-N 2.83Å; F75-L97 HydrophobicContact CB-CD1 3.67Å; F75-L124 HydrophobicContact CE2-CD2 4.31Å; F75-V127 HydrophobicContact CD1-CG2 4.48Å; F75-V127 HydrophobicContact CE1-CG1 4.41Å; F75-V127 HydrophobicContact CE1-CG2 4.26Å; F75-V127 HydrophobicContact CZ-CG1 4.35Å; F75-V127 HydrophobicContact CZ-CG2 4.31Å |
| 76 | W | 97.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 146.4 | 174.7 | 68.4 | 97.1 | 0 | 0 | 0 | 111.7 | A60 H61 K63 G90 F91 | A60-W76 CarbonylContact C-O 3.54Å; A60-W76 WeakPolarHBondContact CA-O 3.5Å; A60-W76 VanDerWaalsContact CB-O 3.3Å; A60-W76 WeakPolarHBondContact CB-O 3.25Å; H61-W76 HydrophobicContact CB-CD2 4Å; H61-W76 VanDerWaalsContact CB-CE2 3.48Å; H61-W76 HydrophobicContact CB-CE3 4.33Å; H61-W76 HydrophobicContact CB-CH2 3.73Å; H61-W76 HydrophobicContact CB-CZ2 3.35Å; H61-W76 HydrophobicContact CB-CZ3 4.19Å; H61-W76 AromaticContact CG-CZ2 3.93Å; H61-W76 PolarHBondContact N-O 3.49Å; H61-W76 AromaticContact ND1-CZ2 3.67Å; H61-W76 PolarHBondContact O-N 2.8Å; H61-W76 VanDerWaalsContact O-N 3.12Å; K63-W76 HydrophobicContact CB-CH2 3.67Å; K63-W76 HydrophobicContact CB-CZ3 3.63Å; K63-W76 HydrophobicContact CD-CH2 4.35Å; W76-G90 CarbonylContact C-O 3.49Å; W76-G90 VanDerWaalsContact CA-O 3.24Å; W76-G90 WeakPolarHBondContact CA-O 3.33Å; W76-F91 HydrophobicContact CB-CD1 4.04Å; W76-F91 HydrophobicContact CB-CD2 4.39Å; W76-F91 HydrophobicContact CB-CE1 4.32Å; W76-F91 HydrophobicContact CB-CG 4.09Å; W76-F91 HydrophobicContact CD2-CE1 4.5Å; W76-F91 HydrophobicContact CE3-CE1 4.17Å |
| 77 | F | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134.4 | 171.9 | -72.8 | -91.6 | 0 | 0 | 0 | 110.8 | I45 F58 A60 F75 T79 M81 I86 G90 V92 V127 L131 | I45-F77 HydrophobicContact CD1-CE1 3.68Å; I45-F77 HydrophobicContact CD1-CZ 4.05Å; F58-F77 HydrophobicContact CB-CD1 4.28Å; F58-F77 HydrophobicContact CB-CE1 4.14Å; A60-F77 HydrophobicContact CB-CD1 4.1Å; A60-F77 HydrophobicContact CB-CE1 4.48Å; A60-F77 HydrophobicContact CB-CG 4.36Å; F75-F77 HydrophobicContact CE1-CD2 4.06Å; F75-F77 AromaticContact CE1-CE2 3.76Å; F75-F77 HydrophobicContact CE1-CE2 3.76Å; F75-F77 HydrophobicContact CE1-CZ 4.11Å; F77-T79 VanDerWaalsContact CB-O 3.29Å; F77-T79 WeakPolarHBondContact CB-O 3.46Å; F77-M81 HydrophobicContact CB-CG 3.83Å; F77-M81 HydrophobicContact CD1-CG 3.71Å; F77-M81 HydrophobicContact CD1-SD 4.18Å; F77-M81 HydrophobicContact CD2-CG 3.95Å; F77-M81 HydrophobicContact CE1-CE 4.23Å; F77-M81 HydrophobicContact CE1-CG 4.21Å; F77-M81 HydrophobicContact CE1-SD 4.39Å; F77-M81 HydrophobicContact CE2-CG 4.43Å; F77-M81 HydrophobicContact CG-CG 3.56Å; F77-M81 HydrophobicContact CZ-CE 4.46Å; F77-I86 HydrophobicContact CD2-CD1 3.71Å; F77-I86 HydrophobicContact CD2-CG1 4.44Å; F77-I86 HydrophobicContact CD2-CG2 4.21Å; F77-I86 HydrophobicContact CE2-CD1 3.45Å; F77-I86 VanDerWaalsContact CE2-CD1 3.45Å; F77-I86 HydrophobicContact CE2-CG1 4.32Å; F77-I86 HydrophobicContact CZ-CD1 4.25Å; F77-G90 PolarHBondContact N-O 3.17Å; F77-V92 HydrophobicContact CD2-CG2 3.6Å; F77-V92 HydrophobicContact CE2-CG2 3.49Å; F77-V92 VanDerWaalsContact CE2-CG2 3.49Å; F77-V127 HydrophobicContact CZ-CG1 4.24Å; F77-L131 HydrophobicContact CZ-CD1 4.33Å; F77-L131 HydrophobicContact CZ-CD2 4.45Å |
| 78 | L | 97.3 | Very high | 96.8 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -79.9 | -39.1 | 163.8 | -57.6 | -178.6 | 0 | 0 | 0 | 110.4 | K59 | K59-L78 HydrophobicContact CB-CB 4.22Å; K59-L78 HydrophobicContact CB-CD1 4.23Å; K59-L78 PolarHBondContact O-N 2.93Å |
| 79 | T | 96.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -67.8 | 131.1 | 172 | -54.1 | 0 | 0 | 0 | 0 | 109 | F58 K59 F77 M81 T172 | F58-T79 HydrophobicContact CD1-CG2 3.8Å; K59-T79 PolarHBondContact N-OG1 2.9Å; K59-T79 PolarHBondContact O-N 2.9Å; F77-T79 VanDerWaalsContact CB-O 3.29Å; F77-T79 WeakPolarHBondContact CB-O 3.46Å; T79-M81 WeakPolarHBondContact O-CG 3.29Å; T79-M81 PolarHBondContact O-N 3.24Å; T79-T172 HydrophobicContact CG2-CG2 3.84Å |
| 80 | K | 96.1 | Very high | 96.7 | Very high | 164 Ų | 164 | 48.7 Ų | 48.7 | 71% | 0.713 | 24% | 0.237 | S | C | * | . | trans | -65.1 | 120.2 | 177.7 | -172.9 | 177.2 | -176.4 | 175.8 | 0 | 110.3 | Q168 | K80-Q168 PolarHBondContact O-NE2 3.2Š| ||
| 81 | M | 96.9 | Very high | 96.9 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | trans | -110.2 | 134.6 | -179.9 | -61 | -60.4 | -79.5 | 0 | 0 | 111.4 | Y53 F58 F77 T79 I86 L131 | Y53-M81 HydrophobicContact CE1-CE 4.04Å; F58-M81 HydrophobicContact CD1-CE 3.88Å; F58-M81 HydrophobicContact CD1-SD 3.31Å; F58-M81 WeakPolarHBondContact CD1-SD 3.47Å; F58-M81 HydrophobicContact CE1-CE 4.02Å; F58-M81 HydrophobicContact CE1-SD 3.7Å; F58-M81 HydrophobicContact CG-CE 4.31Å; F58-M81 HydrophobicContact CG-SD 4.11Å; F77-M81 HydrophobicContact CB-CG 3.83Å; F77-M81 HydrophobicContact CD1-CG 3.71Å; F77-M81 HydrophobicContact CD1-SD 4.18Å; F77-M81 HydrophobicContact CD2-CG 3.95Å; F77-M81 HydrophobicContact CE1-CE 4.23Å; F77-M81 HydrophobicContact CE1-CG 4.21Å; F77-M81 HydrophobicContact CE1-SD 4.39Å; F77-M81 HydrophobicContact CE2-CG 4.43Å; F77-M81 HydrophobicContact CG-CG 3.56Å; F77-M81 HydrophobicContact CZ-CE 4.46Å; T79-M81 WeakPolarHBondContact O-CG 3.29Å; T79-M81 PolarHBondContact O-N 3.24Å; M81-I86 HydrophobicContact CB-CB 4.4Å; M81-I86 HydrophobicContact CB-CD1 3.62Å; M81-I86 HydrophobicContact CB-CG2 4.12Å; M81-I86 HydrophobicContact CE-CD1 4.49Å; M81-I86 HydrophobicContact CG-CD1 3.94Å; M81-L131 HydrophobicContact CE-CD2 4.13Å | ||
| 82 | W | 97.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 20% | 0.197 | 22% | 0.217 | C | C | . | . | trans | -100.6 | 101.3 | 169.6 | -176.3 | -104.3 | 0 | 0 | 0 | 108.3 | N141 D143 A144 M147 Y161 I164 I165 Q168 | W82-N141 WeakPolarHBondContact CZ3-ND2 3.28Å; W82-D143 HydrophobicContact CH2-CB 3.8Å; W82-D143 HydrophobicContact CZ2-CB 4.06Å; W82-A144 HydrophobicContact CD2-CB 4.03Å; W82-A144 HydrophobicContact CG-CB 4.38Å; W82-A144 HydrophobicContact CZ2-CB 3.89Å; W82-M147 HydrophobicContact CZ2-CE 4.24Å; W82-Y161 AromaticContact CD1-CE2 3.96Å; W82-I164 HydrophobicContact CB-CG2 3.61Å; W82-I164 HydrophobicContact CD2-CG2 4.42Å; W82-I164 HydrophobicContact CG-CG2 3.64Å; W82-I165 HydrophobicContact CB-CD1 4.46Å; W82-I165 VanDerWaalsContact O-CD1 3.23Å; W82-I165 WeakPolarHBondContact O-CD1 3.3Å; W82-Q168 VanDerWaalsContact CB-OE1 3.32Å; W82-Q168 VanDerWaalsContact N-OE1 3.11Å | ||
| 83 | H | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -154.5 | 140.9 | -170.6 | -168.4 | -93.8 | 0 | 0 | 0 | 111.9 | Y53 N85 I86 L130 P134 N141 | Y53-H83 PolarHBondContact OH-CD2 2.97Å; H83-N85 PolarHBondContact ND1-N 2.83Å; H83-N85 VanDerWaalsContact ND1-N 3.15Å; H83-N85 PolarHBondContact O-N 2.68Å; H83-N85 VanDerWaalsContact O-N 3.12Å; H83-I86 HydrophobicContact CB-CB 3.92Å; H83-I86 HydrophobicContact CB-CD1 3.61Å; H83-I86 HydrophobicContact CB-CG1 3.7Å; H83-I86 PolarHBondContact O-N 2.64Å; H83-L130 PolarHBondContact CE1-O 3.32Å; H83-L130 VanDerWaalsContact CE1-O 3.28Å; H83-L130 PolarHBondContact NE2-O 3.06Å; H83-P134 WeakPolarHBondContact NE2-CG 3.49Å; H83-N141 WeakPolarHBondContact O-CB 3.41Å | ||
| 84 | P | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.7 | -179.2 | -29.1 | 36.3 | 0 | 0 | 0 | 114.5 | P134 P139 A140 N141 Y148 Y161 | P84-P134 HydrophobicContact CB-CB 3.86Å; P84-P134 HydrophobicContact CG-CB 3.61Å; P84-P134 HydrophobicContact CG-CG 4.11Å; P84-P139 CarbonylContact O-C 3.42Å; P84-P139 VanDerWaalsContact O-CA 3.3Å; P84-P139 WeakPolarHBondContact O-CA 3.47Å; P84-P139 WeakPolarHBondContact O-CB 3.33Å; P84-A140 PolarHBondContact O-N 3.16Å; P84-N141 PolarHBondContact O-N 3.33Å; P84-Y148 HydrophobicContact CG-CG 4.19Å; P84-Y161 WeakPolarHBondContact CD-OH 3.24Å |
| 85 | N | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 14.9 | -176.7 | -52.7 | 103 | 0 | 0 | 0 | 114.5 | H83 C93 L130 P134 N135 | H83-N85 PolarHBondContact ND1-N 2.83Å; H83-N85 VanDerWaalsContact ND1-N 3.15Å; H83-N85 PolarHBondContact O-N 2.68Å; H83-N85 VanDerWaalsContact O-N 3.12Å; N85-C93 PolarHBondContact O-N 2.79Å; N85-L130 HydrophobicContact CB-CD1 3.82Å; N85-L130 HydrophobicContact CB-CD2 3.6Å; N85-L130 HydrophobicContact CB-CG 3.94Å; N85-P134 WeakPolarHBondContact OD1-CA 3.48Å; N85-P134 WeakPolarHBondContact OD1-CB 3.31Å; N85-N135 PolarHBondContact ND2-O 3.47Å; N85-N135 PolarHBondContact OD1-N 2.86Å; N85-N135 PolarHBondContact OD1-O 2.86Å |
| 86 | I | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 124.6 | 175.1 | -53.5 | 174.9 | 0 | 0 | 0 | 108.3 | F77 M81 H83 G90 V92 L131 | F77-I86 HydrophobicContact CD2-CD1 3.71Å; F77-I86 HydrophobicContact CD2-CG1 4.44Å; F77-I86 HydrophobicContact CD2-CG2 4.21Å; F77-I86 HydrophobicContact CE2-CD1 3.45Å; F77-I86 VanDerWaalsContact CE2-CD1 3.45Å; F77-I86 HydrophobicContact CE2-CG1 4.32Å; F77-I86 HydrophobicContact CZ-CD1 4.25Å; M81-I86 HydrophobicContact CB-CB 4.4Å; M81-I86 HydrophobicContact CB-CD1 3.62Å; M81-I86 HydrophobicContact CB-CG2 4.12Å; M81-I86 HydrophobicContact CE-CD1 4.49Å; M81-I86 HydrophobicContact CG-CD1 3.94Å; H83-I86 HydrophobicContact CB-CB 3.92Å; H83-I86 HydrophobicContact CB-CD1 3.61Å; H83-I86 HydrophobicContact CB-CG1 3.7Å; H83-I86 PolarHBondContact O-N 2.64Å; I86-G90 WeakPolarHBondContact CG2-O 3.27Å; I86-V92 HydrophobicContact CG1-CG2 4.24Å; I86-L131 HydrophobicContact CD1-CD2 4.08Å |
| 87 | H | 96.3 | Very high | 95.4 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | trans | -68.5 | 160 | 177.3 | -166.4 | -96.3 | 0 | 0 | 0 | 110.9 | T89 G90 F91 | H87-T89 PolarHBondContact ND1-N 2.86Å; H87-T89 PolarHBondContact ND1-OG1 3.26Å; H87-T89 PolarHBondContact O-N 2.79Å; H87-T89 VanDerWaalsContact O-N 3.1Å; H87-G90 WeakPolarHBondContact O-CA 3.39Å; H87-G90 PolarHBondContact O-N 2.92Å; H87-F91 HydrophobicContact CB-CB 4.41Å; H87-F91 PolarHBondContact N-O 2.94Å | ||
| 88 | E | 93.3 | Very high | 95.1 | Very high | 155 Ų | 155 | 47 Ų | 47 | 72% | 0.724 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.1 | 178.5 | -63 | -172.1 | 165.8 | 0 | 0 | 113.6 | G90 | E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.36Å |
| 89 | T | 95 | Very high | 94.6 | Very high | 86 Ų | 86 | 46.9 Ų | 46.9 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2 | 175.8 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | H87 F91 | H87-T89 PolarHBondContact ND1-N 2.86Å; H87-T89 PolarHBondContact ND1-OG1 3.26Å; H87-T89 PolarHBondContact O-N 2.79Å; H87-T89 VanDerWaalsContact O-N 3.1Å; T89-F91 WeakPolarHBondContact OG1-CD2 3.3Å |
| 90 | G | 96.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 94.1 | -11.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | W76 F77 I86 H87 E88 V92 | W76-G90 CarbonylContact C-O 3.49Å; W76-G90 VanDerWaalsContact CA-O 3.24Å; W76-G90 WeakPolarHBondContact CA-O 3.33Å; F77-G90 PolarHBondContact N-O 3.17Å; I86-G90 WeakPolarHBondContact CG2-O 3.27Å; H87-G90 WeakPolarHBondContact O-CA 3.39Å; H87-G90 PolarHBondContact O-N 2.92Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.36Å; G90-V92 PolarHBondContact O-N 2.91Å |
| 91 | F | 96.8 | Very high | 92.9 | Very high | 99 Ų | 99 | 45.8 Ų | 45.8 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -62.4 | 133.6 | 178.6 | -76.4 | -87.6 | 0 | 0 | 0 | 111.5 | W76 H87 T89 | W76-F91 HydrophobicContact CB-CD1 4.04Å; W76-F91 HydrophobicContact CB-CD2 4.39Å; W76-F91 HydrophobicContact CB-CE1 4.32Å; W76-F91 HydrophobicContact CB-CG 4.09Å; W76-F91 HydrophobicContact CD2-CE1 4.5Å; W76-F91 HydrophobicContact CE3-CE1 4.17Å; H87-F91 HydrophobicContact CB-CB 4.41Å; H87-F91 PolarHBondContact N-O 2.94Å; T89-F91 WeakPolarHBondContact OG1-CD2 3.3Å |
| 92 | V | 95.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 128.6 | -179.3 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | F75 F77 I86 G90 I94 L130 | F75-V92 HydrophobicContact CD1-CB 4Å; F75-V92 HydrophobicContact CD1-CG2 3.44Å; F75-V92 VanDerWaalsContact CD1-CG2 3.44Å; F75-V92 HydrophobicContact CE1-CG2 3.71Å; F75-V92 PolarHBondContact O-N 2.83Å; F77-V92 HydrophobicContact CD2-CG2 3.6Å; F77-V92 HydrophobicContact CE2-CG2 3.49Å; F77-V92 VanDerWaalsContact CE2-CG2 3.49Å; I86-V92 HydrophobicContact CG1-CG2 4.24Å; G90-V92 PolarHBondContact O-N 2.91Å; V92-I94 HydrophobicContact CG1-CD1 4.35Å; V92-I94 HydrophobicContact CG1-CG1 4.25Å; V92-I94 HydrophobicContact CG1-CG2 3.91Å; V92-L130 HydrophobicContact CG1-CD2 3.63Å |
| 93 | C | 92 | Very high | 90.2 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | trans | -97.1 | 96.3 | 175.2 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | N85 A140 | N85-C93 PolarHBondContact O-N 2.79Å; C93-A140 HydrophobicContact CB-CB 3.93Å | ||
| 94 | I | 90 | Very high | 88.5 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | trans | -131.7 | 144.4 | 171 | 55.4 | -177.1 | 0 | 0 | 0 | 110.1 | V92 I96 L97 H98 V127 L130 | V92-I94 HydrophobicContact CG1-CD1 4.35Å; V92-I94 HydrophobicContact CG1-CG1 4.25Å; V92-I94 HydrophobicContact CG1-CG2 3.91Å; I94-I96 VanDerWaalsContact C-N 3.27Å; I94-I96 HydrophobicContact CB-CG2 4.32Å; I94-I96 HydrophobicContact CD1-CG2 3.52Å; I94-I96 HydrophobicContact CG1-CG2 3.76Å; I94-I96 PolarHBondContact O-N 3.3Å; I94-L97 HydrophobicContact CD1-CD1 3.77Å; I94-L97 HydrophobicContact CD1-CG 3.88Å; I94-L97 HydrophobicContact CG1-CB 4.15Å; I94-L97 HydrophobicContact CG1-CD1 3.62Å; I94-L97 HydrophobicContact CG1-CG 3.66Å; I94-L97 PolarHBondContact O-N 3.31Å; I94-H98 PolarHBondContact O-CE1 3.46Å; I94-H98 PolarHBondContact O-ND1 3.12Å; I94-V127 HydrophobicContact CD1-CG2 4.02Å; I94-L130 HydrophobicContact CG2-CB 4.14Å; I94-L130 HydrophobicContact CG2-CD1 3.81Å; I94-L130 HydrophobicContact CG2-CD2 3.22Å; I94-L130 HydrophobicContact CG2-CG 3.88Å | ||
| 95 | S | 89.6 | Confident | 86.9 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -60.4 | -35.6 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | L97 H98 E108 E112 | S95-L97 PolarHBondContact O-N 2.91Å; S95-H98 PolarHBondContact O-N 2.9Å; S95-E108 WeakPolarHBondContact CB-OE2 3.49Å; S95-E112 CarbonylContact C-O 3.03Å; S95-E112 WeakPolarHBondContact CB-O 3.33Å; S95-E112 PolarHBondContact OG-O 3.47Å |
| 96 | I | 92.2 | Very high | 85.4 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -63.7 | -24.1 | -178.8 | -168.6 | 172.4 | 0 | 0 | 0 | 112.8 | I94 H98 E112 W114 Q118 | I94-I96 VanDerWaalsContact C-N 3.27Å; I94-I96 HydrophobicContact CB-CG2 4.32Å; I94-I96 HydrophobicContact CD1-CG2 3.52Å; I94-I96 HydrophobicContact CG1-CG2 3.76Å; I94-I96 PolarHBondContact O-N 3.3Å; I96-H98 VanDerWaalsContact C-N 3.26Å; I96-H98 PolarHBondContact O-N 3.23Å; I96-E112 WeakPolarHBondContact CA-O 3.49Å; I96-E112 PolarHBondContact N-O 3.28Å; I96-W114 HydrophobicContact CG1-CE3 4.38Å; I96-W114 VanDerWaalsContact O-CA 3.31Å; I96-W114 WeakPolarHBondContact O-CA 3.48Å; I96-W114 VanDerWaalsContact O-CB 3.23Å; I96-W114 WeakPolarHBondContact O-CB 3.32Å; I96-W114 VanDerWaalsContact O-CE3 3.25Å; I96-W114 PolarHBondContact O-N 3.19Å; I96-Q118 HydrophobicContact CD1-CB 4.43Å; I96-Q118 VanDerWaalsContact CD1-CD 3.44Å; I96-Q118 HydrophobicContact CD1-CG 4.1Å; I96-Q118 VanDerWaalsContact CD1-OE1 3.29Å; I96-Q118 HydrophobicContact CG1-CG 4.06Å |
| 97 | L | 93.7 | Very high | 84 | Confident | 16 Ų | 16 | 74.5 Ų | 74.5 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -88.3 | 7.3 | 176.6 | -64.9 | 176.8 | 0 | 0 | 0 | 113.1 | P72 P73 F75 I94 S95 I123 | P72-L97 WeakPolarHBondContact CB-O 3.27Å; P72-L97 WeakPolarHBondContact CG-O 3.36Å; P73-L97 HydrophobicContact CG-CD2 4.19Å; F75-L97 HydrophobicContact CB-CD1 3.67Å; I94-L97 HydrophobicContact CD1-CD1 3.77Å; I94-L97 HydrophobicContact CD1-CG 3.88Å; I94-L97 HydrophobicContact CG1-CB 4.15Å; I94-L97 HydrophobicContact CG1-CD1 3.62Å; I94-L97 HydrophobicContact CG1-CG 3.66Å; I94-L97 PolarHBondContact O-N 3.31Å; S95-L97 PolarHBondContact O-N 2.91Å; L97-I123 HydrophobicContact CD2-CD1 3.77Å; L97-I123 HydrophobicContact CD2-CG1 3.95Å; L97-I123 HydrophobicContact CD2-CG2 4.03Å |
| 98 | H | 90.1 | Very high | 83 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.375 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -115.5 | 139.8 | 176.6 | -62.2 | 105.4 | 0 | 0 | 0 | 110.3 | I94 S95 I96 W114 | I94-H98 PolarHBondContact O-CE1 3.46Å; I94-H98 PolarHBondContact O-ND1 3.12Å; S95-H98 PolarHBondContact O-N 2.9Å; I96-H98 VanDerWaalsContact C-N 3.26Å; I96-H98 PolarHBondContact O-N 3.23Å; H98-W114 VanDerWaalsContact O-CB 3.28Å; H98-W114 WeakPolarHBondContact O-CB 3.5Å; H98-W114 PolarHBondContact O-N 3.05Å |
| 99 | P | 87.3 | Confident | 82.3 | Confident | 82 Ų | 82 | 71.7 Ų | 71.7 | 53% | 0.532 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 156.6 | 170.8 | 26.5 | -32.5 | 0 | 0 | 0 | 110.3 | D101 | P99-D101 PolarHBondContact O-N 3.28Š|
| 100 | P | 82.3 | Confident | 81.4 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 138.6 | 176.3 | 26.3 | -31 | 0 | 0 | 0 | 109.5 | R113 W114 | P100-R113 HydrophobicContact CB-CB 4.28Å; P100-W114 WeakPolarHBondContact CD-O 3.44Å |
| 101 | D | 75.8 | Confident | 80.6 | Confident | 73 Ų | 73 | 76 Ų | 76 | 39% | 0.39 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 143.2 | 173 | 51.7 | -36.2 | 0 | 0 | 0 | 110.7 | P99 N103 R113 | P99-D101 PolarHBondContact O-N 3.28Å; D101-N103 HydrophobicContact CB-CB 4.48Å; D101-N103 PolarHBondContact O-N 3.22Å; D101-N103 WeakPolarHBondContact OD2-CB 3.39Å; D101-R113 IonicContact OD1-CZ 2.77Å; D101-R113 IonicContact OD1-NE 3.29Å; D101-R113 PolarHBondContact OD1-NE 2.95Å; D101-R113 IonicContact OD1-NH2 3.96Å |
| 102 | D | 66.4 | Low | 80 | Confident | 170 Ų | 170 | 75.1 Ų | 75.1 | 91% | 0.909 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -71.3 | 22.5 | 175.3 | -68.8 | -35.9 | 0 | 0 | 0 | 112.6 | P104 | D102-P104 WeakPolarHBondContact O-CD 3.33Š|
| 103 | N | 70.3 | Confident | 79.7 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | trans | -94 | 96.7 | -177.9 | -177.5 | 12.6 | 0 | 0 | 0 | 110.4 | D101 Q105 G106 | D101-N103 HydrophobicContact CB-CB 4.48Å; D101-N103 PolarHBondContact O-N 3.22Å; D101-N103 WeakPolarHBondContact OD2-CB 3.39Å; N103-Q105 PolarHBondContact O-N 2.87Å; N103-Q105 PolarHBondContact OD1-N 3.41Å; N103-G106 PolarHBondContact ND2-N 2.87Å; N103-G106 PolarHBondContact O-N 3.28Å | ||
| 104 | P | 63.2 | Low | 79.9 | Confident | 131 Ų | 131 | 74 Ų | 74 | 85% | 0.851 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -7.9 | 179.7 | 26.6 | -36.2 | 0 | 0 | 0 | 114.1 | D102 | D102-P104 WeakPolarHBondContact O-CD 3.33Š|
| 105 | Q | 63.7 | Low | 80 | Confident | 179 Ų | 179 | 75 Ų | 75 | 84% | 0.836 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -2.6 | 172.4 | -59.3 | -174.8 | 151.8 | 0 | 0 | 113.2 | N103 G107 | N103-Q105 PolarHBondContact O-N 2.87Å; N103-Q105 PolarHBondContact OD1-N 3.41Å; Q105-G107 PolarHBondContact O-N 2.72Å; Q105-G107 VanDerWaalsContact O-N 3.13Å |
| 106 | G | 65.5 | Low | 80.2 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 26% | 0.258 | 45% | 0.448 | S | S | . | . | trans | -65.9 | 109.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | N103 E108 | N103-G106 PolarHBondContact ND2-N 2.87Å; N103-G106 PolarHBondContact O-N 3.28Å; G106-E108 PolarHBondContact O-N 3.21Å | ||
| 107 | G | 68.6 | Low | 80.3 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 86% | 0.856 | 48% | 0.479 | S | S | * | . | trans | -68.2 | 19.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q105 | Q105-G107 PolarHBondContact O-N 2.72Å; Q105-G107 VanDerWaalsContact O-N 3.13Å | ||
| 108 | E | 76 | Confident | 80.4 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | trans | -90.5 | 137.9 | -179.7 | -63.9 | -172 | -154.8 | 0 | 0 | 110.7 | S95 G106 E112 R113 | S95-E108 WeakPolarHBondContact CB-OE2 3.49Å; G106-E108 PolarHBondContact O-N 3.21Å; E108-E112 VanDerWaalsContact CA-OE2 3.23Å; E108-E112 WeakPolarHBondContact CA-OE2 3.36Å; E108-R113 VanDerWaalsContact CD-CZ 3.43Å; E108-R113 IonicContact OE1-CZ 3.97Å; E108-R113 IonicContact OE1-NH1 2.93Å; E108-R113 IonicContact OE1-NH2 3.34Å; E108-R113 PolarHBondContact OE1-NH2 2.98Å; E108-R113 IonicContact OE2-CZ 3.65Å; E108-R113 IonicContact OE2-NE 2.69Å; E108-R113 PolarHBondContact OE2-NE 3.18Å; E108-R113 IonicContact OE2-NH1 3.82Å; E108-R113 PolarHBondContact OE2-NH1 3.36Å; E108-R113 IonicContact OE2-NH2 3.83Å; E108-R113 PolarHBondContact OE2-NH2 3.13Å | ||
| 109 | L | 77.7 | Confident | 80.7 | Confident | 99 Ų | 99 | 80.1 Ų | 80.1 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | trans | -76.4 | 151.9 | 177.9 | -63.4 | 170.1 | 0 | 0 | 0 | 110.7 | S111 E112 | L109-S111 PolarHBondContact O-N 2.89Å; L109-S111 VanDerWaalsContact O-N 3.08Å; L109-E112 HydrophobicContact CB-CG 4.03Å; L109-E112 PolarHBondContact N-OE2 2.95Å; L109-E112 WeakPolarHBondContact O-CA 3.28Å; L109-E112 WeakPolarHBondContact O-CB 3.33Å; L109-E112 PolarHBondContact O-N 3.29Å | ||
| 110 | P | 76.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 76.2 Ų | 76.2 | 67% | 0.669 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.2 | 173.8 | -26.7 | 35.1 | 0 | 0 | 0 | 114.2 | E112 N115 | P110-E112 VanDerWaalsContact C-N 3.29Å; P110-N115 PolarHBondContact O-ND2 3.12Å |
| 111 | S | 80.1 | Confident | 81.8 | Confident | 78 Ų | 78 | 75.5 Ų | 75.5 | 55% | 0.545 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -15.4 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | L109 Q118 | L109-S111 PolarHBondContact O-N 2.89Å; L109-S111 VanDerWaalsContact O-N 3.08Å; S111-Q118 PolarHBondContact O-NE2 2.88Å |
| 112 | E | 83.4 | Confident | 82.7 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13.5 | 177.2 | -65.1 | 172.7 | 157.4 | 0 | 0 | 111.8 | S95 I96 E108 L109 P110 | S95-E112 CarbonylContact C-O 3.03Å; S95-E112 WeakPolarHBondContact CB-O 3.33Å; S95-E112 PolarHBondContact OG-O 3.47Å; I96-E112 WeakPolarHBondContact CA-O 3.49Å; I96-E112 PolarHBondContact N-O 3.28Å; E108-E112 VanDerWaalsContact CA-OE2 3.23Å; E108-E112 WeakPolarHBondContact CA-OE2 3.36Å; L109-E112 HydrophobicContact CB-CG 4.03Å; L109-E112 PolarHBondContact N-OE2 2.95Å; L109-E112 WeakPolarHBondContact O-CA 3.28Å; L109-E112 WeakPolarHBondContact O-CB 3.33Å; L109-E112 PolarHBondContact O-N 3.29Å; P110-E112 VanDerWaalsContact C-N 3.29Å |
| 113 | R | 90.4 | Very high | 84.1 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -106.2 | 165 | 175 | -68.9 | -69.7 | -164.5 | -148.4 | -14.4 | 111.5 | P100 D101 E108 N115 Q118 | P100-R113 HydrophobicContact CB-CB 4.28Å; D101-R113 IonicContact OD1-CZ 2.77Å; D101-R113 IonicContact OD1-NE 3.29Å; D101-R113 PolarHBondContact OD1-NE 2.95Å; D101-R113 IonicContact OD1-NH2 3.96Å; E108-R113 VanDerWaalsContact CD-CZ 3.43Å; E108-R113 IonicContact OE1-CZ 3.97Å; E108-R113 IonicContact OE1-NH1 2.93Å; E108-R113 IonicContact OE1-NH2 3.34Å; E108-R113 PolarHBondContact OE1-NH2 2.98Å; E108-R113 IonicContact OE2-CZ 3.65Å; E108-R113 IonicContact OE2-NE 2.69Å; E108-R113 PolarHBondContact OE2-NE 3.18Å; E108-R113 IonicContact OE2-NH1 3.82Å; E108-R113 PolarHBondContact OE2-NH1 3.36Å; E108-R113 IonicContact OE2-NH2 3.83Å; E108-R113 PolarHBondContact OE2-NH2 3.13Å; R113-N115 PolarHBondContact O-N 2.89Å; R113-Q118 PolarHBondContact O-NE2 3.38Å |
| 114 | W | 94.8 | Very high | 85.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | trans | -63.5 | 135.9 | 173.8 | -171.2 | -104.5 | 0 | 0 | 0 | 110.6 | Y68 P69 Y70 S71 P72 P73 I96 H98 P100 Q118 I123 | Y68-W114 HydrophobicContact CD2-CH2 4.45Å; Y68-W114 HydrophobicContact CD2-CZ2 4.05Å; Y68-W114 AromaticContact CE2-CH2 3.59Å; Y68-W114 HydrophobicContact CE2-CH2 3.59Å; Y68-W114 AromaticContact CE2-CZ2 3.57Å; Y68-W114 HydrophobicContact CE2-CZ2 3.57Å; P69-W114 HydrophobicContact CB-CZ2 4.26Å; P69-W114 PolarHBondContact O-NE1 3.36Å; Y70-W114 PolarHBondContact O-NE1 3.44Å; S71-W114 VanDerWaalsContact C-NE1 3.26Å; P72-W114 VanDerWaalsContact CA-CE2 3.42Å; P72-W114 HydrophobicContact CB-CB 3.94Å; P72-W114 HydrophobicContact CB-CD2 3.53Å; P72-W114 HydrophobicContact CB-CE3 3.99Å; P72-W114 HydrophobicContact CB-CG 3.5Å; P72-W114 VanDerWaalsContact CB-CG 3.5Å; P72-W114 VanDerWaalsContact CD-CD1 3.46Å; P72-W114 HydrophobicContact CG-CB 4.17Å; P72-W114 HydrophobicContact CG-CD2 4.5Å; P72-W114 HydrophobicContact CG-CG 3.98Å; P73-W114 HydrophobicContact CG-CH2 4.47Å; I96-W114 HydrophobicContact CG1-CE3 4.38Å; I96-W114 VanDerWaalsContact O-CA 3.31Å; I96-W114 WeakPolarHBondContact O-CA 3.48Å; I96-W114 VanDerWaalsContact O-CB 3.23Å; I96-W114 WeakPolarHBondContact O-CB 3.32Å; I96-W114 VanDerWaalsContact O-CE3 3.25Å; I96-W114 PolarHBondContact O-N 3.19Å; H98-W114 VanDerWaalsContact O-CB 3.28Å; H98-W114 WeakPolarHBondContact O-CB 3.5Å; H98-W114 PolarHBondContact O-N 3.05Å; P100-W114 WeakPolarHBondContact CD-O 3.44Å; W114-Q118 HydrophobicContact CD2-CB 4.32Å; W114-Q118 HydrophobicContact CE3-CB 3.7Å; W114-Q118 HydrophobicContact CE3-CG 4.21Å; W114-Q118 HydrophobicContact CH2-CB 3.95Å; W114-Q118 HydrophobicContact CZ3-CB 3.49Å; W114-Q118 VanDerWaalsContact CZ3-CB 3.49Å; W114-Q118 HydrophobicContact CZ3-CG 4.45Å; W114-I123 HydrophobicContact CH2-CD1 4.2Å; W114-I123 HydrophobicContact CZ3-CD1 3.73Å; W114-I123 HydrophobicContact CZ3-CG1 4.04Å | ||
| 115 | N | 92.9 | Very high | 86.7 | Confident | 35 Ų | 35 | 60 Ų | 60 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | trans | -153.3 | 162.6 | 166.7 | 66.7 | 71 | 0 | 0 | 0 | 108.3 | P110 R113 T117 Q118 | P110-N115 PolarHBondContact O-ND2 3.12Å; R113-N115 PolarHBondContact O-N 2.89Å; N115-T117 PolarHBondContact O-N 2.83Å; N115-T117 WeakPolarHBondContact OD1-CA 3.42Å; N115-T117 WeakPolarHBondContact OD1-CB 3.35Å; N115-T117 PolarHBondContact OD1-N 3.46Å; N115-T117 PolarHBondContact OD1-OG1 3.25Å; N115-Q118 WeakPolarHBondContact O-CB 3.25Å; N115-Q118 WeakPolarHBondContact O-CG 3.44Å; N115-Q118 PolarHBondContact O-N 2.62Å | ||
| 116 | P | 93.7 | Very high | 88.1 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -5.2 | -174.5 | -23 | 33.4 | 0 | 0 | 0 | 116.2 | P69 Y70 | P69-P116 HydrophobicContact CG-CB 4.42Å; Y70-P116 HydrophobicContact CD1-CB 4.32Å; Y70-P116 HydrophobicContact CD1-CG 3.81Å; Y70-P116 HydrophobicContact CE1-CG 4.32Å |
| 117 | T | 93.4 | Very high | 89.4 | Confident | 113 Ų | 113 | 52.2 Ų | 52.2 | 69% | 0.693 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -13.2 | 173.3 | 74.9 | 0 | 0 | 0 | 0 | 113 | N115 | N115-T117 PolarHBondContact O-N 2.83Å; N115-T117 WeakPolarHBondContact OD1-CA 3.42Å; N115-T117 WeakPolarHBondContact OD1-CB 3.35Å; N115-T117 PolarHBondContact OD1-N 3.46Å; N115-T117 PolarHBondContact OD1-OG1 3.25Å |
| 118 | Q | 95.8 | Very high | 90.3 | Very high | 19 Ų | 19 | 50 Ų | 50 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | trans | -70.3 | 155.7 | 170 | -58.5 | -68.5 | 4.7 | 0 | 0 | 110.3 | I96 S111 R113 W114 N115 T122 | I96-Q118 HydrophobicContact CD1-CB 4.43Å; I96-Q118 VanDerWaalsContact CD1-CD 3.44Å; I96-Q118 HydrophobicContact CD1-CG 4.1Å; I96-Q118 VanDerWaalsContact CD1-OE1 3.29Å; I96-Q118 HydrophobicContact CG1-CG 4.06Å; S111-Q118 PolarHBondContact O-NE2 2.88Å; R113-Q118 PolarHBondContact O-NE2 3.38Å; W114-Q118 HydrophobicContact CD2-CB 4.32Å; W114-Q118 HydrophobicContact CE3-CB 3.7Å; W114-Q118 HydrophobicContact CE3-CG 4.21Å; W114-Q118 HydrophobicContact CH2-CB 3.95Å; W114-Q118 HydrophobicContact CZ3-CB 3.49Å; W114-Q118 VanDerWaalsContact CZ3-CB 3.49Å; W114-Q118 HydrophobicContact CZ3-CG 4.45Å; N115-Q118 WeakPolarHBondContact O-CB 3.25Å; N115-Q118 WeakPolarHBondContact O-CG 3.44Å; N115-Q118 PolarHBondContact O-N 2.62Å; Q118-T122 PolarHBondContact OE1-OG1 3.12Å | ||
| 119 | N | 96.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | -148.3 | 174.8 | -177.8 | 56.4 | 60.5 | 0 | 0 | 0 | 110.3 | E16 R121 T122 I123 | E16-N119 WeakPolarHBondContact OE2-CB 3.39Å; N119-R121 VanDerWaalsContact C-N 3.27Å; N119-R121 PolarHBondContact O-N 3.49Å; N119-R121 WeakPolarHBondContact OD1-CA 3.35Å; N119-R121 VanDerWaalsContact OD1-CB 3.3Å; N119-R121 WeakPolarHBondContact OD1-CB 3.3Å; N119-R121 PolarHBondContact OD1-N 3.31Å; N119-R121 VanDerWaalsContact OD1-N 3.12Å; N119-T122 PolarHBondContact N-OG1 3.2Å; N119-T122 VanDerWaalsContact N-OG1 3.17Å; N119-T122 PolarHBondContact O-N 2.88Å; N119-T122 VanDerWaalsContact O-N 3.16Å; N119-T122 PolarHBondContact O-OG1 3.35Å; N119-T122 PolarHBondContact OD1-N 2.95Å; N119-I123 WeakPolarHBondContact O-CG1 3.4Å; N119-I123 PolarHBondContact O-N 3.36Å; N119-I123 VanDerWaalsContact O-N 3.15Å | ||
| 120 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -37.8 | -178.3 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | E16 L20 W41 L62 F64 T122 I123 L124 | E16-V120 WeakPolarHBondContact OE2-CB 3.43Å; E16-V120 VanDerWaalsContact OE2-CG2 3.25Å; E16-V120 WeakPolarHBondContact OE2-CG2 3.42Å; E16-V120 PolarHBondContact OE2-N 3.14Å; L20-V120 HydrophobicContact CD1-CB 3.78Å; L20-V120 HydrophobicContact CD1-CG1 3.52Å; W41-V120 HydrophobicContact CE3-CG1 4.33Å; W41-V120 HydrophobicContact CE3-CG2 4.5Å; W41-V120 HydrophobicContact CH2-CG2 4.19Å; W41-V120 HydrophobicContact CZ3-CB 4.19Å; W41-V120 HydrophobicContact CZ3-CG1 3.92Å; W41-V120 HydrophobicContact CZ3-CG2 3.84Å; L62-V120 HydrophobicContact CD1-CG1 3.92Å; F64-V120 HydrophobicContact CE1-CG2 3.47Å; F64-V120 VanDerWaalsContact CE1-CG2 3.47Å; F64-V120 HydrophobicContact CZ-CG2 3.52Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 2.71Å; V120-I123 WeakPolarHBondContact O-CB 3.32Å; V120-I123 PolarHBondContact O-N 3.46Å; V120-L124 HydrophobicContact CG1-CD1 4.31Å; V120-L124 HydrophobicContact CG1-CG 4.18Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.15Å |
| 121 | R | 95.8 | Very high | 92.1 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 28% | 0.275 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 177.1 | -177.5 | -177.3 | -65.5 | -85.4 | -0.3 | 111.3 | L20 E23 V25 N119 I123 L124 L125 | L20-R121 HydrophobicContact CD2-CB 4.22Å; E23-R121 PolarHBondContact O-NH1 3.24Å; E23-R121 PolarHBondContact O-NH2 2.91Å; E23-R121 IonicContact OE2-NH2 2.99Å; V25-R121 HydrophobicContact CG2-CG 3.85Å; N119-R121 VanDerWaalsContact C-N 3.27Å; N119-R121 PolarHBondContact O-N 3.49Å; N119-R121 WeakPolarHBondContact OD1-CA 3.35Å; N119-R121 VanDerWaalsContact OD1-CB 3.3Å; N119-R121 WeakPolarHBondContact OD1-CB 3.3Å; N119-R121 PolarHBondContact OD1-N 3.31Å; N119-R121 VanDerWaalsContact OD1-N 3.12Å; R121-I123 VanDerWaalsContact C-N 3.34Å; R121-I123 PolarHBondContact O-N 3.4Å; R121-L124 PolarHBondContact O-N 2.91Å; R121-L125 HydrophobicContact CG-CD1 4.24Å; R121-L125 WeakPolarHBondContact O-CG 3.49Å; R121-L125 PolarHBondContact O-N 2.78Å; R121-L125 VanDerWaalsContact O-N 3.07Å |
| 122 | T | 95.1 | Very high | 92.4 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 24% | 0.239 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.1 | 62 | 0 | 0 | 0 | 0 | 111.6 | Q118 N119 V120 L124 L125 S126 | Q118-T122 PolarHBondContact OE1-OG1 3.12Å; N119-T122 PolarHBondContact N-OG1 3.2Å; N119-T122 VanDerWaalsContact N-OG1 3.17Å; N119-T122 PolarHBondContact O-N 2.88Å; N119-T122 VanDerWaalsContact O-N 3.16Å; N119-T122 PolarHBondContact O-OG1 3.35Å; N119-T122 PolarHBondContact OD1-N 2.95Å; V120-T122 VanDerWaalsContact C-N 3.34Å; V120-T122 PolarHBondContact O-N 2.71Å; T122-L124 PolarHBondContact O-N 3.16Å; T122-L125 PolarHBondContact O-N 3.13Å; T122-S126 WeakPolarHBondContact O-CB 3.39Å; T122-S126 PolarHBondContact O-N 3.37Å; T122-S126 PolarHBondContact O-OG 3.3Å; T122-S126 VanDerWaalsContact O-OG 3.05Å |
| 123 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -50.7 | 172.8 | -62.7 | 168 | 0 | 0 | 0 | 111.1 | P73 L97 W114 N119 V120 R121 L125 S126 V127 | P73-I123 HydrophobicContact CG-CD1 3.42Å; P73-I123 VanDerWaalsContact CG-CD1 3.42Å; L97-I123 HydrophobicContact CD2-CD1 3.77Å; L97-I123 HydrophobicContact CD2-CG1 3.95Å; L97-I123 HydrophobicContact CD2-CG2 4.03Å; W114-I123 HydrophobicContact CH2-CD1 4.2Å; W114-I123 HydrophobicContact CZ3-CD1 3.73Å; W114-I123 HydrophobicContact CZ3-CG1 4.04Å; N119-I123 WeakPolarHBondContact O-CG1 3.4Å; N119-I123 PolarHBondContact O-N 3.36Å; N119-I123 VanDerWaalsContact O-N 3.15Å; V120-I123 WeakPolarHBondContact O-CB 3.32Å; V120-I123 PolarHBondContact O-N 3.46Å; R121-I123 VanDerWaalsContact C-N 3.34Å; R121-I123 PolarHBondContact O-N 3.4Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 2.65Å; I123-S126 WeakPolarHBondContact O-CB 3.31Å; I123-S126 PolarHBondContact O-N 3.4Å; I123-S126 VanDerWaalsContact O-N 3.16Å; I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.24Å; I123-V127 PolarHBondContact O-N 3.1Å |
| 124 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | -177.3 | -62.3 | -175 | 0 | 0 | 0 | 111.5 | L20 V25 F28 V30 V43 F75 V120 R121 T122 S126 V127 I128 | L20-L124 HydrophobicContact CD2-CD1 4.31Å; V25-L124 HydrophobicContact CB-CD1 4.5Å; V25-L124 HydrophobicContact CG2-CD1 4.28Å; F28-L124 HydrophobicContact CB-CD1 4.16Å; F28-L124 HydrophobicContact CD1-CB 4.12Å; F28-L124 HydrophobicContact CD1-CD1 3.87Å; F28-L124 HydrophobicContact CD1-CD2 3.69Å; F28-L124 HydrophobicContact CD1-CG 4.08Å; F28-L124 HydrophobicContact CE1-CB 4.15Å; F28-L124 HydrophobicContact CE1-CD2 3.81Å; F28-L124 HydrophobicContact CE1-CG 4.39Å; F28-L124 HydrophobicContact CG-CD1 4.15Å; V30-L124 HydrophobicContact CG2-CD1 4.08Å; V43-L124 HydrophobicContact CG1-CD2 4.05Å; F75-L124 HydrophobicContact CE2-CD2 4.31Å; V120-L124 HydrophobicContact CG1-CD1 4.31Å; V120-L124 HydrophobicContact CG1-CG 4.18Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.15Å; R121-L124 PolarHBondContact O-N 2.91Å; T122-L124 PolarHBondContact O-N 3.16Å; L124-S126 PolarHBondContact O-N 3.34Å; L124-V127 PolarHBondContact O-N 3.5Å; L124-I128 WeakPolarHBondContact O-CG1 3.29Å; L124-I128 PolarHBondContact O-N 2.84Å |
| 125 | L | 92 | Very high | 92.6 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.2 | -66.6 | 175.1 | 0 | 0 | 0 | 112 | V25 R121 T122 I123 V127 I128 S129 | V25-L125 HydrophobicContact CG1-CD2 3.87Å; R121-L125 HydrophobicContact CG-CD1 4.24Å; R121-L125 WeakPolarHBondContact O-CG 3.49Å; R121-L125 PolarHBondContact O-N 2.78Å; R121-L125 VanDerWaalsContact O-N 3.07Å; T122-L125 PolarHBondContact O-N 3.13Å; I123-L125 VanDerWaalsContact C-N 3.33Å; I123-L125 PolarHBondContact O-N 2.65Å; L125-V127 VanDerWaalsContact C-N 3.35Å; L125-I128 HydrophobicContact CD2-CD1 4.3Å; L125-I128 PolarHBondContact O-N 2.88Å; L125-S129 PolarHBondContact O-N 2.77Å |
| 126 | S | 92.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 28% | 0.28 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -38 | 174.1 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | T122 I123 L124 S129 L130 | T122-S126 WeakPolarHBondContact O-CB 3.39Å; T122-S126 PolarHBondContact O-N 3.37Å; T122-S126 PolarHBondContact O-OG 3.3Å; T122-S126 VanDerWaalsContact O-OG 3.05Å; I123-S126 WeakPolarHBondContact O-CB 3.31Å; I123-S126 PolarHBondContact O-N 3.4Å; I123-S126 VanDerWaalsContact O-N 3.16Å; L124-S126 PolarHBondContact O-N 3.34Å; S126-S129 PolarHBondContact O-N 3.23Å; S126-L130 WeakPolarHBondContact O-CB 3.23Å; S126-L130 PolarHBondContact O-N 3.25Å |
| 127 | V | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 175 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | F75 F77 I94 I123 L124 L125 S129 L130 L131 | F75-V127 HydrophobicContact CD1-CG2 4.48Å; F75-V127 HydrophobicContact CE1-CG1 4.41Å; F75-V127 HydrophobicContact CE1-CG2 4.26Å; F75-V127 HydrophobicContact CZ-CG1 4.35Å; F75-V127 HydrophobicContact CZ-CG2 4.31Å; F77-V127 HydrophobicContact CZ-CG1 4.24Å; I94-V127 HydrophobicContact CD1-CG2 4.02Å; I123-V127 HydrophobicContact CG2-CG2 4.41Å; I123-V127 WeakPolarHBondContact O-CG2 3.24Å; I123-V127 PolarHBondContact O-N 3.1Å; L124-V127 PolarHBondContact O-N 3.5Å; L125-V127 VanDerWaalsContact C-N 3.35Å; V127-S129 PolarHBondContact O-N 2.81Å; V127-L130 PolarHBondContact O-N 2.86Å; V127-L131 HydrophobicContact CG1-CD1 4.1Å; V127-L131 HydrophobicContact CG1-CG 4.41Å; V127-L131 WeakPolarHBondContact O-CG 3.36Å; V127-L131 PolarHBondContact O-N 3.44Å |
| 128 | I | 87.9 | Confident | 92.2 | Very high | 37 Ų | 37 | 48.2 Ų | 48.2 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 173.9 | -64.9 | 168.7 | 0 | 0 | 0 | 110.6 | V25 F28 L124 L125 L130 L131 N132 | V25-I128 HydrophobicContact CG1-CD1 4.06Å; F28-I128 HydrophobicContact CD2-CD1 4Å; F28-I128 HydrophobicContact CD2-CG1 4.34Å; F28-I128 HydrophobicContact CE2-CD1 3.36Å; F28-I128 HydrophobicContact CE2-CG1 3.25Å; F28-I128 HydrophobicContact CZ-CD1 4.11Å; F28-I128 HydrophobicContact CZ-CG1 3.57Å; L124-I128 WeakPolarHBondContact O-CG1 3.29Å; L124-I128 PolarHBondContact O-N 2.84Å; L125-I128 HydrophobicContact CD2-CD1 4.3Å; L125-I128 PolarHBondContact O-N 2.88Å; I128-L130 VanDerWaalsContact C-N 3.3Å; I128-L130 PolarHBondContact O-N 3.42Å; I128-L131 PolarHBondContact O-N 3.16Å; I128-N132 PolarHBondContact O-N 2.95Å; I128-N132 VanDerWaalsContact O-N 3.16Å; I128-N132 PolarHBondContact O-ND2 3.41Å; I128-N132 VanDerWaalsContact O-ND2 3.16Å |
| 129 | S | 88.2 | Confident | 92.1 | Very high | 69 Ų | 69 | 49.1 Ų | 49.1 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 179.2 | -172 | 0 | 0 | 0 | 0 | 111 | L125 S126 V127 L131 N132 E133 | L125-S129 PolarHBondContact O-N 2.77Å; S126-S129 PolarHBondContact O-N 3.23Å; V127-S129 PolarHBondContact O-N 2.81Å; S129-L131 PolarHBondContact O-N 2.98Å; S129-N132 PolarHBondContact O-N 3.33Å; S129-E133 PolarHBondContact O-N 3.5Å |
| 130 | L | 90.8 | Very high | 92 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 179.1 | -169.6 | 75 | 0 | 0 | 0 | 113.3 | H83 N85 V92 I94 S126 V127 I128 N132 E133 P134 | H83-L130 PolarHBondContact CE1-O 3.32Å; H83-L130 VanDerWaalsContact CE1-O 3.28Å; H83-L130 PolarHBondContact NE2-O 3.06Å; N85-L130 HydrophobicContact CB-CD1 3.82Å; N85-L130 HydrophobicContact CB-CD2 3.6Å; N85-L130 HydrophobicContact CB-CG 3.94Å; V92-L130 HydrophobicContact CG1-CD2 3.63Å; I94-L130 HydrophobicContact CG2-CB 4.14Å; I94-L130 HydrophobicContact CG2-CD1 3.81Å; I94-L130 HydrophobicContact CG2-CD2 3.22Å; I94-L130 HydrophobicContact CG2-CG 3.88Å; S126-L130 WeakPolarHBondContact O-CB 3.23Å; S126-L130 PolarHBondContact O-N 3.25Å; V127-L130 PolarHBondContact O-N 2.86Å; I128-L130 VanDerWaalsContact C-N 3.3Å; I128-L130 PolarHBondContact O-N 3.42Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.15Å; L130-E133 CarbonylContact O-C 3.56Å; L130-P134 WeakPolarHBondContact O-CA 3.46Å |
| 131 | L | 89.7 | Confident | 92 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -31.3 | 179.1 | -73.2 | 173.4 | 0 | 0 | 0 | 112.3 | F77 M81 I86 V127 I128 S129 | F77-L131 HydrophobicContact CZ-CD1 4.33Å; F77-L131 HydrophobicContact CZ-CD2 4.45Å; M81-L131 HydrophobicContact CE-CD2 4.13Å; I86-L131 HydrophobicContact CD1-CD2 4.08Å; V127-L131 HydrophobicContact CG1-CD1 4.1Å; V127-L131 HydrophobicContact CG1-CG 4.41Å; V127-L131 WeakPolarHBondContact O-CG 3.36Å; V127-L131 PolarHBondContact O-N 3.44Å; I128-L131 PolarHBondContact O-N 3.16Å; S129-L131 PolarHBondContact O-N 2.98Å |
| 132 | N | 86.3 | Confident | 92.1 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -81.9 | -41.5 | 177.5 | -71.2 | -38.2 | 0 | 0 | 0 | 112.2 | I128 S129 L130 | I128-N132 PolarHBondContact O-N 2.95Å; I128-N132 VanDerWaalsContact O-N 3.16Å; I128-N132 PolarHBondContact O-ND2 3.41Å; I128-N132 VanDerWaalsContact O-ND2 3.16Å; S129-N132 PolarHBondContact O-N 3.33Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.15Å |
| 133 | E | 89.2 | Confident | 92.2 | Very high | 150 Ų | 150 | 53 Ų | 53 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -128.7 | 83 | -177.1 | -62.7 | -168.6 | 163.1 | 0 | 0 | 110.9 | S129 L130 | S129-E133 PolarHBondContact O-N 3.5Å; L130-E133 CarbonylContact O-C 3.56Å |
| 134 | P | 92.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 53 Ų | 53 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | trans | -60.5 | 138.2 | 177.6 | -18.4 | 26.4 | 0 | 0 | 0 | 112.6 | H83 P84 N85 L130 T136 Y148 | H83-P134 WeakPolarHBondContact NE2-CG 3.49Å; P84-P134 HydrophobicContact CB-CB 3.86Å; P84-P134 HydrophobicContact CG-CB 3.61Å; P84-P134 HydrophobicContact CG-CG 4.11Å; N85-P134 WeakPolarHBondContact OD1-CA 3.48Å; N85-P134 WeakPolarHBondContact OD1-CB 3.31Å; L130-P134 WeakPolarHBondContact O-CA 3.46Å; P134-T136 PolarHBondContact O-N 3.4Å; P134-Y148 HydrophobicContact CB-CE1 4.35Å; P134-Y148 WeakPolarHBondContact CD-OH 3.48Å; P134-Y148 HydrophobicContact CG-CD1 4.45Å; P134-Y148 HydrophobicContact CG-CD2 4.07Å; P134-Y148 HydrophobicContact CG-CE1 4.12Å; P134-Y148 HydrophobicContact CG-CE2 3.7Å; P134-Y148 HydrophobicContact CG-CG 4.42Å | ||
| 135 | N | 91 | Very high | 92.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 31% | 0.314 | S | S | . | . | trans | -79.7 | 108.2 | 169.1 | 179.5 | -6.3 | 0 | 0 | 0 | 109.9 | N85 S137 S138 | N85-N135 PolarHBondContact ND2-O 3.47Å; N85-N135 PolarHBondContact OD1-N 2.86Å; N85-N135 PolarHBondContact OD1-O 2.86Å; N135-S137 WeakPolarHBondContact OD1-CB 3.39Å; N135-S137 PolarHBondContact OD1-N 3.16Å; N135-S138 PolarHBondContact OD1-N 3.39Å | ||
| 136 | T | 93.2 | Very high | 92.6 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | -90.2 | -8.1 | -179.5 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | P134 S145 Y148 R149 | P134-T136 PolarHBondContact O-N 3.4Å; T136-S145 WeakPolarHBondContact CB-OG 3.32Å; T136-Y148 HydrophobicContact CG2-CD1 3.56Å; T136-Y148 HydrophobicContact CG2-CE1 3.92Å; T136-R149 HydrophobicContact CG2-CG 3.9Å; T136-R149 PolarHBondContact O-NH1 2.77Å | ||
| 137 | S | 89.6 | Confident | 92.9 | Very high | 115 Ų | 115 | 51.5 Ų | 51.5 | 80% | 0.804 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -76.9 | -33.8 | -180 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | N135 | N135-S137 WeakPolarHBondContact OD1-CB 3.39Å; N135-S137 PolarHBondContact OD1-N 3.16Å |
| 138 | S | 88.4 | Confident | 93.1 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -133.7 | 73.5 | 175.4 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | N135 | N135-S138 PolarHBondContact OD1-N 3.39Š|
| 139 | P | 94.4 | Very high | 93.5 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | trans | -79.4 | 143.2 | -176.3 | 32.8 | -34.2 | 0 | 0 | 0 | 111.9 | P84 V142 S145 | P84-P139 CarbonylContact O-C 3.42Å; P84-P139 VanDerWaalsContact O-CA 3.3Å; P84-P139 WeakPolarHBondContact O-CA 3.47Å; P84-P139 WeakPolarHBondContact O-CB 3.33Å; P139-V142 HydrophobicContact CG-CG2 4.39Å; P139-S145 VanDerWaalsContact CB-CB 3.48Å | ||
| 140 | A | 95.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 28% | 0.281 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -78.6 | -29.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | P84 C93 | P84-A140 PolarHBondContact O-N 3.16Å; C93-A140 HydrophobicContact CB-CB 3.93Å |
| 141 | N | 97.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -121.5 | 104.3 | 174.5 | -178.3 | -26.2 | 0 | 0 | 0 | 108.9 | W82 H83 P84 D143 A144 S145 | W82-N141 WeakPolarHBondContact CZ3-ND2 3.28Å; H83-N141 WeakPolarHBondContact O-CB 3.41Å; P84-N141 PolarHBondContact O-N 3.33Å; N141-D143 PolarHBondContact OD1-N 3.25Å; N141-A144 HydrophobicContact CB-CB 3.97Å; N141-A144 VanDerWaalsContact CG-CB 3.47Å; N141-A144 WeakPolarHBondContact OD1-CB 3.41Å; N141-A144 PolarHBondContact OD1-N 3.04Å; N141-S145 WeakPolarHBondContact O-CB 3.46Å; N141-S145 PolarHBondContact O-N 3.16Å |
| 142 | V | 96.9 | Very high | 94.5 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | -175.4 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | P139 S145 V146 | P139-V142 HydrophobicContact CG-CG2 4.39Å; V142-S145 WeakPolarHBondContact O-CB 3.48Å; V142-S145 PolarHBondContact O-N 2.93Å; V142-V146 HydrophobicContact CG1-CG2 4.46Å; V142-V146 WeakPolarHBondContact O-CG2 3.5Å; V142-V146 PolarHBondContact O-N 3.07Å |
| 143 | D | 97.4 | Very high | 95 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.7 | -45.1 | -178.3 | -67.4 | -22.8 | 0 | 0 | 0 | 111.4 | W82 N141 S145 V146 M147 | W82-D143 HydrophobicContact CH2-CB 3.8Å; W82-D143 HydrophobicContact CZ2-CB 4.06Å; N141-D143 PolarHBondContact OD1-N 3.25Å; D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 2.9Å; D143-V146 PolarHBondContact O-N 3.5Å; D143-M147 WeakPolarHBondContact O-CB 3.44Å; D143-M147 PolarHBondContact O-N 3.17Å |
| 144 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | W82 N141 M147 Y148 | W82-A144 HydrophobicContact CD2-CB 4.03Å; W82-A144 HydrophobicContact CG-CB 4.38Å; W82-A144 HydrophobicContact CZ2-CB 3.89Å; N141-A144 HydrophobicContact CB-CB 3.97Å; N141-A144 VanDerWaalsContact CG-CB 3.47Å; N141-A144 WeakPolarHBondContact OD1-CB 3.41Å; N141-A144 PolarHBondContact OD1-N 3.04Å; A144-M147 PolarHBondContact O-N 2.89Å; A144-Y148 VanDerWaalsContact O-CB 3.26Å; A144-Y148 WeakPolarHBondContact O-CB 3.44Å; A144-Y148 PolarHBondContact O-N 2.93Å |
| 145 | S | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.6 | -172.1 | 0 | 0 | 0 | 0 | 112.9 | T136 P139 N141 V142 D143 M147 Y148 R149 | T136-S145 WeakPolarHBondContact CB-OG 3.32Å; P139-S145 VanDerWaalsContact CB-CB 3.48Å; N141-S145 WeakPolarHBondContact O-CB 3.46Å; N141-S145 PolarHBondContact O-N 3.16Å; V142-S145 WeakPolarHBondContact O-CB 3.48Å; V142-S145 PolarHBondContact O-N 2.93Å; D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 2.9Å; S145-M147 PolarHBondContact O-N 3.05Å; S145-Y148 PolarHBondContact O-N 2.97Å; S145-R149 WeakPolarHBondContact O-CG 3.45Å; S145-R149 PolarHBondContact O-N 3.02Å; S145-R149 PolarHBondContact OG-NH1 3.41Å; S145-R149 VanDerWaalsContact OG-NH1 3.13Å |
| 146 | V | 97.6 | Very high | 95.5 | Very high | 72 Ų | 72 | 64.1 Ų | 64.1 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V142 D143 R149 K150 | V142-V146 HydrophobicContact CG1-CG2 4.46Å; V142-V146 WeakPolarHBondContact O-CG2 3.5Å; V142-V146 PolarHBondContact O-N 3.07Å; D143-V146 PolarHBondContact O-N 3.5Å; V146-R149 PolarHBondContact O-N 3.4Å; V146-K150 PolarHBondContact O-N 3.49Å |
| 147 | M | 97.5 | Very high | 95.6 | Very high | 25 Ų | 25 | 70.6 Ų | 70.6 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.5 | -40.5 | -179.2 | -162.9 | -172.5 | -78.8 | 0 | 0 | 112.1 | W82 D143 A144 S145 K150 W151 E160 Y161 I164 | W82-M147 HydrophobicContact CZ2-CE 4.24Å; D143-M147 WeakPolarHBondContact O-CB 3.44Å; D143-M147 PolarHBondContact O-N 3.17Å; A144-M147 PolarHBondContact O-N 2.89Å; S145-M147 PolarHBondContact O-N 3.05Å; M147-K150 PolarHBondContact O-N 3Å; M147-W151 WeakPolarHBondContact O-CB 3.41Å; M147-W151 PolarHBondContact O-N 2.93Å; M147-E160 HydrophobicContact CE-CG 3.83Å; M147-E160 HydrophobicContact CG-CB 4.28Å; M147-E160 HydrophobicContact CG-CG 4.3Å; M147-E160 HydrophobicContact SD-CB 4.25Å; M147-E160 HydrophobicContact SD-CG 3.85Å; M147-Y161 HydrophobicContact CB-CD2 4.19Å; M147-Y161 HydrophobicContact CG-CD2 4.25Å; M147-Y161 VanDerWaalsContact SD-CA 3.55Å; M147-Y161 HydrophobicContact SD-CD2 4.23Å; M147-I164 HydrophobicContact CE-CD1 3.81Å; M147-I164 HydrophobicContact SD-CD1 3.57Å; M147-I164 VanDerWaalsContact SD-CD1 3.57Å |
| 148 | Y | 97.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.6 | 175.9 | -96.7 | 0 | 0 | 0 | 112.3 | P84 P134 T136 A144 S145 W151 K152 Y161 | P84-Y148 HydrophobicContact CG-CG 4.19Å; P134-Y148 HydrophobicContact CB-CE1 4.35Å; P134-Y148 WeakPolarHBondContact CD-OH 3.48Å; P134-Y148 HydrophobicContact CG-CD1 4.45Å; P134-Y148 HydrophobicContact CG-CD2 4.07Å; P134-Y148 HydrophobicContact CG-CE1 4.12Å; P134-Y148 HydrophobicContact CG-CE2 3.7Å; P134-Y148 HydrophobicContact CG-CG 4.42Å; T136-Y148 HydrophobicContact CG2-CD1 3.56Å; T136-Y148 HydrophobicContact CG2-CE1 3.92Å; A144-Y148 VanDerWaalsContact O-CB 3.26Å; A144-Y148 WeakPolarHBondContact O-CB 3.44Å; A144-Y148 PolarHBondContact O-N 2.93Å; S145-Y148 PolarHBondContact O-N 2.97Å; Y148-W151 AromaticContact CD2-CE3 3.74Å; Y148-W151 HydrophobicContact CD2-CE3 3.74Å; Y148-W151 AromaticContact CD2-CZ3 3.98Å; Y148-W151 HydrophobicContact CD2-CZ3 3.98Å; Y148-W151 AromaticContact CE2-CE3 3.67Å; Y148-W151 HydrophobicContact CE2-CE3 3.67Å; Y148-W151 AromaticContact CE2-CZ3 3.42Å; Y148-W151 HydrophobicContact CE2-CZ3 3.42Å; Y148-W151 VanDerWaalsContact CE2-CZ3 3.42Å; Y148-W151 WeakPolarHBondContact O-CB 3.33Å; Y148-W151 PolarHBondContact O-N 2.92Å; Y148-K152 HydrophobicContact CD1-CG 4.38Å; Y148-K152 HydrophobicContact CE1-CG 3.85Å; Y148-K152 HydrophobicContact CE2-CG 4.28Å; Y148-K152 PolarHBondContact O-N 3.17Å; Y148-K152 WeakPolarHBondContact OH-CE 3.41Å; Y148-Y161 HydrophobicContact CD2-CD1 4.18Å; Y148-Y161 AromaticContact CD2-CE1 3.73Å; Y148-Y161 HydrophobicContact CD2-CE1 3.73Å; Y148-Y161 HydrophobicContact CD2-CE2 4.35Å; Y148-Y161 AromaticContact CD2-CZ 3.82Å |
| 149 | R | 96.8 | Very high | 96.3 | Very high | 87 Ų | 87 | 67.5 Ų | 67.5 | 33% | 0.328 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.2 | -74.2 | -168.6 | -60 | -102.4 | -2.9 | 111.5 | T136 S145 V146 W151 K152 E153 | T136-R149 HydrophobicContact CG2-CG 3.9Å; T136-R149 PolarHBondContact O-NH1 2.77Å; S145-R149 WeakPolarHBondContact O-CG 3.45Å; S145-R149 PolarHBondContact O-N 3.02Å; S145-R149 PolarHBondContact OG-NH1 3.41Å; S145-R149 VanDerWaalsContact OG-NH1 3.13Å; V146-R149 PolarHBondContact O-N 3.4Å; R149-W151 VanDerWaalsContact C-N 3.31Å; R149-W151 PolarHBondContact O-N 3.1Å; R149-K152 PolarHBondContact O-N 3.12Å; R149-K152 VanDerWaalsContact O-N 3.15Å; R149-E153 WeakPolarHBondContact O-CB 3.4Å; R149-E153 VanDerWaalsContact O-CG 3.29Å; R149-E153 WeakPolarHBondContact O-CG 3.46Å; R149-E153 PolarHBondContact O-N 2.94Å |
| 150 | K | 97 | Very high | 96.4 | Very high | 96 Ų | 96 | 70.3 Ų | 70.3 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 175.7 | -170.9 | -171.3 | -178.2 | -145.8 | 0 | 111.7 | V146 M147 S154 D158 E160 | V146-K150 PolarHBondContact O-N 3.49Å; M147-K150 PolarHBondContact O-N 3Å; K150-S154 VanDerWaalsContact O-CB 3.28Å; K150-S154 WeakPolarHBondContact O-CB 3.35Å; K150-S154 PolarHBondContact O-N 3.35Å; K150-S154 PolarHBondContact O-OG 3.47Å; K150-D158 WeakPolarHBondContact CD-OD2 3.49Å; K150-D158 WeakPolarHBondContact CE-OD2 3.5Å; K150-D158 IonicContact NZ-OD2 3.48Å; K150-D158 PolarHBondContact NZ-OD2 2.82Å; K150-E160 IonicContact NZ-OE2 2.93Å |
| 151 | W | 97.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 173.6 | 167.8 | 76.5 | 0 | 0 | 0 | 112 | Y52 M147 Y148 R149 S154 K155 G156 T162 | Y52-W151 HydrophobicContact CE2-CH2 4.17Å; Y52-W151 AromaticContact CE2-CZ2 3.59Å; Y52-W151 HydrophobicContact CE2-CZ2 3.59Å; M147-W151 WeakPolarHBondContact O-CB 3.41Å; M147-W151 PolarHBondContact O-N 2.93Å; Y148-W151 AromaticContact CD2-CE3 3.74Å; Y148-W151 HydrophobicContact CD2-CE3 3.74Å; Y148-W151 AromaticContact CD2-CZ3 3.98Å; Y148-W151 HydrophobicContact CD2-CZ3 3.98Å; Y148-W151 AromaticContact CE2-CE3 3.67Å; Y148-W151 HydrophobicContact CE2-CE3 3.67Å; Y148-W151 AromaticContact CE2-CZ3 3.42Å; Y148-W151 HydrophobicContact CE2-CZ3 3.42Å; Y148-W151 VanDerWaalsContact CE2-CZ3 3.42Å; Y148-W151 WeakPolarHBondContact O-CB 3.33Å; Y148-W151 PolarHBondContact O-N 2.92Å; R149-W151 VanDerWaalsContact C-N 3.31Å; R149-W151 PolarHBondContact O-N 3.1Å; W151-S154 PolarHBondContact O-N 3.33Å; W151-S154 PolarHBondContact O-OG 2.83Å; W151-K155 PolarHBondContact O-N 3.49Å; W151-G156 PolarHBondContact O-N 3.47Å; W151-G156 VanDerWaalsContact O-N 3.09Å; W151-T162 HydrophobicContact CD2-CG2 4.42Å; W151-T162 HydrophobicContact CG-CG2 4.4Å; W151-T162 HydrophobicContact CZ2-CG2 4.36Å; W151-T162 VanDerWaalsContact NE1-CG2 3.3Å |
| 152 | K | 95.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 68.6 Ų | 68.6 | 47% | 0.47 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.5 | -48.5 | 178.1 | -81.4 | -62.4 | -163.5 | -173.8 | 0 | 112.8 | Y148 R149 S154 K155 | Y148-K152 HydrophobicContact CD1-CG 4.38Å; Y148-K152 HydrophobicContact CE1-CG 3.85Å; Y148-K152 HydrophobicContact CE2-CG 4.28Å; Y148-K152 PolarHBondContact O-N 3.17Å; Y148-K152 WeakPolarHBondContact OH-CE 3.41Å; R149-K152 PolarHBondContact O-N 3.12Å; R149-K152 VanDerWaalsContact O-N 3.15Å; K152-S154 VanDerWaalsContact C-N 3.28Å; K152-S154 PolarHBondContact O-N 2.96Å; K152-K155 WeakPolarHBondContact O-CA 3.28Å; K152-K155 PolarHBondContact O-N 2.9Å |
| 153 | E | 96.6 | Very high | 96.4 | Very high | 148 Ų | 148 | 67.4 Ų | 67.4 | 69% | 0.692 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.6 | -37.1 | -179.9 | -72.9 | 168.6 | -168.5 | 0 | 0 | 111.9 | R149 K155 | R149-E153 WeakPolarHBondContact O-CB 3.4Å; R149-E153 VanDerWaalsContact O-CG 3.29Å; R149-E153 WeakPolarHBondContact O-CG 3.46Å; R149-E153 PolarHBondContact O-N 2.94Å; E153-K155 PolarHBondContact O-N 3.15Å |
| 154 | S | 96.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -6.2 | 175.4 | 80.4 | 0 | 0 | 0 | 0 | 113.9 | K150 W151 K152 G156 K157 D158 | K150-S154 VanDerWaalsContact O-CB 3.28Å; K150-S154 WeakPolarHBondContact O-CB 3.35Å; K150-S154 PolarHBondContact O-N 3.35Å; K150-S154 PolarHBondContact O-OG 3.47Å; W151-S154 PolarHBondContact O-N 3.33Å; W151-S154 PolarHBondContact O-OG 2.83Å; K152-S154 VanDerWaalsContact C-N 3.28Å; K152-S154 PolarHBondContact O-N 2.96Å; S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 2.95Å; S154-G156 PolarHBondContact OG-N 3.22Å; S154-K157 WeakPolarHBondContact O-CB 3.23Å; S154-K157 VanDerWaalsContact O-CG 3.3Å; S154-K157 WeakPolarHBondContact O-CG 3.31Å; S154-K157 PolarHBondContact O-N 3.3Å; S154-K157 PolarHBondContact OG-N 3.48Å; S154-K157 VanDerWaalsContact OG-N 3.13Å; S154-D158 WeakPolarHBondContact OG-CB 3.42Å; S154-D158 PolarHBondContact OG-N 2.98Å |
| 155 | K | 95.1 | Very high | 96.3 | Very high | 190 Ų | 190 | 64.7 Ų | 64.7 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 39.9 | -170.3 | -56.8 | -179.4 | 179.3 | -178.4 | 0 | 112.2 | W151 K152 E153 | W151-K155 PolarHBondContact O-N 3.49Å; K152-K155 WeakPolarHBondContact O-CA 3.28Å; K152-K155 PolarHBondContact O-N 2.9Å; E153-K155 PolarHBondContact O-N 3.15Å |
| 156 | G | 92.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 69.6 Ų | 69.6 | 21% | 0.206 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 14.9 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | W151 S154 H159 | W151-G156 PolarHBondContact O-N 3.47Å; W151-G156 VanDerWaalsContact O-N 3.09Å; S154-G156 VanDerWaalsContact C-N 3.26Å; S154-G156 PolarHBondContact O-N 2.95Å; S154-G156 PolarHBondContact OG-N 3.22Å; G156-H159 PolarHBondContact O-CE1 3.43Å; G156-H159 PolarHBondContact O-ND1 3.31Å |
| 157 | K | 94.9 | Very high | 96.3 | Very high | 173 Ų | 173 | 73.3 Ų | 73.3 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | trans | -80 | -33.4 | 174.2 | -67.5 | 177.4 | -178.7 | -178.8 | 0 | 112.8 | S154 H159 | S154-K157 WeakPolarHBondContact O-CB 3.23Å; S154-K157 VanDerWaalsContact O-CG 3.3Å; S154-K157 WeakPolarHBondContact O-CG 3.31Å; S154-K157 PolarHBondContact O-N 3.3Å; S154-K157 PolarHBondContact OG-N 3.48Å; S154-K157 VanDerWaalsContact OG-N 3.13Å; K157-H159 PolarHBondContact O-NE2 3.28Å | ||
| 158 | D | 96 | Very high | 96.2 | Very high | 32 Ų | 32 | 73.9 Ų | 73.9 | 17% | 0.171 | 34% | 0.336 | C | S | . | . | trans | -75.4 | 129.6 | 166 | -170 | -63.6 | 0 | 0 | 0 | 107.5 | K150 S154 E160 | K150-D158 WeakPolarHBondContact CD-OD2 3.49Å; K150-D158 WeakPolarHBondContact CE-OD2 3.5Å; K150-D158 IonicContact NZ-OD2 3.48Å; K150-D158 PolarHBondContact NZ-OD2 2.82Å; S154-D158 WeakPolarHBondContact OG-CB 3.42Å; S154-D158 PolarHBondContact OG-N 2.98Å; D158-E160 VanDerWaalsContact OD1-CB 3.24Å; D158-E160 WeakPolarHBondContact OD1-CB 3.5Å; D158-E160 PolarHBondContact OD1-N 3.28Å | ||
| 159 | H | 95.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 73.3 Ų | 73.3 | 45% | 0.449 | 34% | 0.335 | S | S | . | . | trans | -108.8 | -2 | -176.2 | -60.7 | -50.7 | 0 | 0 | 0 | 113.2 | G156 K157 Y161 T162 D163 | G156-H159 PolarHBondContact O-CE1 3.43Å; G156-H159 PolarHBondContact O-ND1 3.31Å; K157-H159 PolarHBondContact O-NE2 3.28Å; H159-Y161 PolarHBondContact O-N 3.46Å; H159-T162 WeakPolarHBondContact CA-OG1 3.36Å; H159-T162 PolarHBondContact O-N 3.2Å; H159-T162 VanDerWaalsContact O-N 3.1Å; H159-T162 PolarHBondContact O-OG1 3.44Å; H159-D163 WeakPolarHBondContact O-CB 3.35Å; H159-D163 PolarHBondContact O-N 2.94Å | ||
| 160 | E | 96.8 | Very high | 96.1 | Very high | 98 Ų | 98 | 74.1 Ų | 74.1 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | -169.2 | -166.5 | 178.7 | -176.1 | 0 | 0 | 111.6 | M147 K150 D158 D163 I164 | M147-E160 HydrophobicContact CE-CG 3.83Å; M147-E160 HydrophobicContact CG-CB 4.28Å; M147-E160 HydrophobicContact CG-CG 4.3Å; M147-E160 HydrophobicContact SD-CB 4.25Å; M147-E160 HydrophobicContact SD-CG 3.85Å; K150-E160 IonicContact NZ-OE2 2.93Å; D158-E160 VanDerWaalsContact OD1-CB 3.24Å; D158-E160 WeakPolarHBondContact OD1-CB 3.5Å; D158-E160 PolarHBondContact OD1-N 3.28Å; E160-D163 PolarHBondContact O-N 2.87Å; E160-I164 WeakPolarHBondContact O-CG1 3.38Å; E160-I164 PolarHBondContact O-N 2.86Å |
| 161 | Y | 96.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 71.5 Ų | 71.5 | 4% | 0.043 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 175.7 | -172.2 | -99.1 | 0 | 0 | 0 | 111.5 | W82 P84 M147 Y148 H159 D163 I164 I165 | W82-Y161 AromaticContact CD1-CE2 3.96Å; P84-Y161 WeakPolarHBondContact CD-OH 3.24Å; M147-Y161 HydrophobicContact CB-CD2 4.19Å; M147-Y161 HydrophobicContact CG-CD2 4.25Å; M147-Y161 VanDerWaalsContact SD-CA 3.55Å; M147-Y161 HydrophobicContact SD-CD2 4.23Å; Y148-Y161 HydrophobicContact CD2-CD1 4.18Å; Y148-Y161 AromaticContact CD2-CE1 3.73Å; Y148-Y161 HydrophobicContact CD2-CE1 3.73Å; Y148-Y161 HydrophobicContact CD2-CE2 4.35Å; Y148-Y161 AromaticContact CD2-CZ 3.82Å; H159-Y161 PolarHBondContact O-N 3.46Å; Y161-D163 VanDerWaalsContact C-N 3.3Å; Y161-D163 PolarHBondContact O-N 3.31Å; Y161-I164 PolarHBondContact O-N 3.23Å; Y161-I165 HydrophobicContact CD1-CG1 4.21Å; Y161-I165 HydrophobicContact CE1-CD1 4.23Å; Y161-I165 HydrophobicContact CE1-CG1 3.9Å; Y161-I165 WeakPolarHBondContact O-CG1 3.35Å; Y161-I165 PolarHBondContact O-N 2.93Å |
| 162 | T | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -30.2 | -174.7 | 54.6 | 0 | 0 | 0 | 0 | 113 | Y52 W151 H159 I165 R166 | Y52-T162 HydrophobicContact CD1-CG2 3.72Å; Y52-T162 HydrophobicContact CD2-CG2 4.05Å; Y52-T162 HydrophobicContact CE1-CG2 3.36Å; Y52-T162 HydrophobicContact CE2-CG2 3.75Å; Y52-T162 HydrophobicContact CG-CG2 4.04Å; W151-T162 HydrophobicContact CD2-CG2 4.42Å; W151-T162 HydrophobicContact CG-CG2 4.4Å; W151-T162 HydrophobicContact CZ2-CG2 4.36Å; W151-T162 VanDerWaalsContact NE1-CG2 3.3Å; H159-T162 WeakPolarHBondContact CA-OG1 3.36Å; H159-T162 PolarHBondContact O-N 3.2Å; H159-T162 VanDerWaalsContact O-N 3.1Å; H159-T162 PolarHBondContact O-OG1 3.44Å; T162-I165 PolarHBondContact O-N 3.36Å; T162-R166 VanDerWaalsContact O-CG 3.29Å; T162-R166 WeakPolarHBondContact O-CG 3.41Å; T162-R166 PolarHBondContact O-N 3.45Å; T162-R166 PolarHBondContact OG1-NH1 3.07Å |
| 163 | D | 97.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 70.1 Ų | 70.1 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 178 | -72.5 | -14.8 | 0 | 0 | 0 | 111.7 | H159 E160 Y161 R166 K167 | H159-D163 WeakPolarHBondContact O-CB 3.35Å; H159-D163 PolarHBondContact O-N 2.94Å; E160-D163 PolarHBondContact O-N 2.87Å; Y161-D163 VanDerWaalsContact C-N 3.3Å; Y161-D163 PolarHBondContact O-N 3.31Å; D163-R166 IonicContact OD1-CZ 2.9Å; D163-R166 IonicContact OD1-NH1 2.8Å; D163-R166 PolarHBondContact OD1-NH1 3.47Å; D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 VanDerWaalsContact O-CG 3.24Å; D163-K167 WeakPolarHBondContact O-CG 3.44Å; D163-K167 PolarHBondContact O-N 3.19Å |
| 164 | I | 97.3 | Very high | 96.1 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 24% | 0.241 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 171.8 | -63.7 | 171.4 | 0 | 0 | 0 | 110 | W82 M147 E160 Y161 R166 K167 Q168 | W82-I164 HydrophobicContact CB-CG2 3.61Å; W82-I164 HydrophobicContact CD2-CG2 4.42Å; W82-I164 HydrophobicContact CG-CG2 3.64Å; M147-I164 HydrophobicContact CE-CD1 3.81Å; M147-I164 HydrophobicContact SD-CD1 3.57Å; M147-I164 VanDerWaalsContact SD-CD1 3.57Å; E160-I164 WeakPolarHBondContact O-CG1 3.38Å; E160-I164 PolarHBondContact O-N 2.86Å; Y161-I164 PolarHBondContact O-N 3.23Å; I164-R166 PolarHBondContact O-N 2.89Å; I164-K167 PolarHBondContact O-N 3Å; I164-Q168 WeakPolarHBondContact O-CG 3.26Å; I164-Q168 PolarHBondContact O-N 3.47Å |
| 165 | I | 95.9 | Very high | 96 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59 | -47 | 178.6 | -56.4 | -52.3 | 0 | 0 | 0 | 111 | Y53 W82 Y161 T162 K167 Q168 V169 | Y53-I165 HydrophobicContact CD1-CG2 3.65Å; Y53-I165 HydrophobicContact CE1-CD1 4.28Å; Y53-I165 HydrophobicContact CE1-CG2 3.5Å; Y53-I165 VanDerWaalsContact CE1-CG2 3.5Å; Y53-I165 HydrophobicContact CG-CG2 4.24Å; W82-I165 HydrophobicContact CB-CD1 4.46Å; W82-I165 VanDerWaalsContact O-CD1 3.23Å; W82-I165 WeakPolarHBondContact O-CD1 3.3Å; Y161-I165 HydrophobicContact CD1-CG1 4.21Å; Y161-I165 HydrophobicContact CE1-CD1 4.23Å; Y161-I165 HydrophobicContact CE1-CG1 3.9Å; Y161-I165 WeakPolarHBondContact O-CG1 3.35Å; Y161-I165 PolarHBondContact O-N 2.93Å; T162-I165 PolarHBondContact O-N 3.36Å; I165-K167 VanDerWaalsContact C-N 3.33Å; I165-K167 PolarHBondContact O-N 3.49Å; I165-Q168 WeakPolarHBondContact O-CB 3.46Å; I165-Q168 PolarHBondContact O-N 3.33Å; I165-Q168 VanDerWaalsContact O-N 3.13Å; I165-V169 HydrophobicContact CG2-CG2 4.35Å; I165-V169 WeakPolarHBondContact O-CG2 3.37Å; I165-V169 PolarHBondContact O-N 3.37Å |
| 166 | R | 96.1 | Very high | 96 | Very high | 103 Ų | 103 | 59.3 Ų | 59.3 | 39% | 0.389 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 177 | -73.4 | 174.4 | -172.6 | 129.2 | -3.9 | 112.4 | T162 D163 I164 Q168 V169 L170 | T162-R166 VanDerWaalsContact O-CG 3.29Å; T162-R166 WeakPolarHBondContact O-CG 3.41Å; T162-R166 PolarHBondContact O-N 3.45Å; T162-R166 PolarHBondContact OG1-NH1 3.07Å; D163-R166 IonicContact OD1-CZ 2.9Å; D163-R166 IonicContact OD1-NH1 2.8Å; D163-R166 PolarHBondContact OD1-NH1 3.47Å; I164-R166 PolarHBondContact O-N 2.89Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; R166-V169 PolarHBondContact O-N 2.57Å; R166-L170 WeakPolarHBondContact O-CB 3.33Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.38Å; R166-L170 PolarHBondContact O-N 2.91Å |
| 167 | K | 97.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 176.2 | -74.5 | 170.3 | -175 | 175.2 | 0 | 111.5 | D163 I164 I165 L170 G171 | D163-K167 WeakPolarHBondContact O-CB 3.49Å; D163-K167 VanDerWaalsContact O-CG 3.24Å; D163-K167 WeakPolarHBondContact O-CG 3.44Å; D163-K167 PolarHBondContact O-N 3.19Å; I164-K167 PolarHBondContact O-N 3Å; I165-K167 VanDerWaalsContact C-N 3.33Å; I165-K167 PolarHBondContact O-N 3.49Å; K167-L170 PolarHBondContact O-N 3.2Å; K167-G171 PolarHBondContact O-N 2.93Å |
| 168 | Q | 96.5 | Very high | 96.2 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 176.3 | -72 | 178.8 | -47.7 | 0 | 0 | 111.3 | K80 W82 I164 I165 R166 L170 G171 T172 | K80-Q168 PolarHBondContact O-NE2 3.2Å; W82-Q168 VanDerWaalsContact CB-OE1 3.32Å; W82-Q168 VanDerWaalsContact N-OE1 3.11Å; I164-Q168 WeakPolarHBondContact O-CG 3.26Å; I164-Q168 PolarHBondContact O-N 3.47Å; I165-Q168 WeakPolarHBondContact O-CB 3.46Å; I165-Q168 PolarHBondContact O-N 3.33Å; I165-Q168 VanDerWaalsContact O-N 3.13Å; R166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; Q168-L170 PolarHBondContact O-N 3.04Å; Q168-G171 WeakPolarHBondContact O-CA 2.87Å; Q168-G171 PolarHBondContact O-N 3.3Å; Q168-T172 WeakPolarHBondContact O-CG2 3.48Å; Q168-T172 PolarHBondContact O-N 2.88Å |
| 169 | V | 96.2 | Very high | 96.1 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.8 | -48.3 | 175.3 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | Y52 Y53 E54 F58 I165 R166 G171 T172 | Y52-V169 WeakPolarHBondContact O-CG2 3.45Å; Y53-V169 HydrophobicContact CD1-CG2 4.46Å; E54-V169 WeakPolarHBondContact O-CG1 3.49Å; F58-V169 HydrophobicContact CZ-CG2 3.86Å; I165-V169 HydrophobicContact CG2-CG2 4.35Å; I165-V169 WeakPolarHBondContact O-CG2 3.37Å; I165-V169 PolarHBondContact O-N 3.37Å; R166-V169 PolarHBondContact O-N 2.57Å; V169-G171 VanDerWaalsContact C-N 3.29Å; V169-G171 PolarHBondContact O-N 3.41Å; V169-T172 PolarHBondContact O-N 3.43Å; V169-T172 VanDerWaalsContact O-N 3.16Å; V169-T172 PolarHBondContact O-OG1 3.13Å |
| 170 | L | 96.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 64.4 Ų | 64.4 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 177.3 | -71.8 | 172.6 | 0 | 0 | 0 | 112.2 | R166 K167 Q168 T172 K173 | R166-L170 WeakPolarHBondContact O-CB 3.33Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.38Å; R166-L170 PolarHBondContact O-N 2.91Å; K167-L170 PolarHBondContact O-N 3.2Å; Q168-L170 VanDerWaalsContact C-N 3.33Å; Q168-L170 PolarHBondContact O-N 3.04Å; L170-T172 VanDerWaalsContact C-N 3.29Å; L170-T172 PolarHBondContact O-N 2.77Å; L170-K173 HydrophobicContact CD2-CD 4.48Å; L170-K173 WeakPolarHBondContact O-CB 3.49Å; L170-K173 PolarHBondContact O-N 2.96Å |
| 171 | G | 96.3 | Very high | 96 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | K167 Q168 V169 K173 V174 | K167-G171 PolarHBondContact O-N 2.93Å; Q168-G171 WeakPolarHBondContact O-CA 2.87Å; Q168-G171 PolarHBondContact O-N 3.3Å; V169-G171 VanDerWaalsContact C-N 3.29Å; V169-G171 PolarHBondContact O-N 3.41Å; G171-K173 PolarHBondContact O-N 2.98Å; G171-K173 VanDerWaalsContact O-N 3.11Å; G171-V174 PolarHBondContact O-N 2.83Å |
| 172 | T | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -16 | -179.6 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | G56 Y57 F58 T79 Q168 V169 L170 V174 D175 A176 | G56-T172 WeakPolarHBondContact CA-OG1 3.01Å; Y57-T172 PolarHBondContact N-OG1 2.94Å; Y57-T172 WeakPolarHBondContact O-CB 3.07Å; Y57-T172 VanDerWaalsContact O-CG2 3.23Å; Y57-T172 WeakPolarHBondContact O-CG2 3.36Å; F58-T172 HydrophobicContact CD1-CG2 3.88Å; F58-T172 HydrophobicContact CE1-CG2 3.78Å; F58-T172 HydrophobicContact CZ-CG2 4.45Å; T79-T172 HydrophobicContact CG2-CG2 3.84Å; Q168-T172 WeakPolarHBondContact O-CG2 3.48Å; Q168-T172 PolarHBondContact O-N 2.88Å; V169-T172 PolarHBondContact O-N 3.43Å; V169-T172 VanDerWaalsContact O-N 3.16Å; V169-T172 PolarHBondContact O-OG1 3.13Å; L170-T172 VanDerWaalsContact C-N 3.29Å; L170-T172 PolarHBondContact O-N 2.77Å; T172-V174 PolarHBondContact O-N 2.82Å; T172-D175 WeakPolarHBondContact O-CB 3.46Å; T172-D175 PolarHBondContact O-N 3.34Å; T172-D175 VanDerWaalsContact O-N 3.12Å; T172-A176 PolarHBondContact O-N 2.8Å |
| 173 | K | 95.1 | Very high | 95.6 | Very high | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -34.9 | 175.7 | -65.6 | -175 | 175.9 | -175.1 | 0 | 112.1 | L170 G171 D175 A176 E177 | L170-K173 HydrophobicContact CD2-CD 4.48Å; L170-K173 WeakPolarHBondContact O-CB 3.49Å; L170-K173 PolarHBondContact O-N 2.96Å; G171-K173 PolarHBondContact O-N 2.98Å; G171-K173 VanDerWaalsContact O-N 3.11Å; K173-D175 VanDerWaalsContact C-N 3.33Å; K173-A176 PolarHBondContact O-N 2.9Å; K173-E177 WeakPolarHBondContact O-CB 3.29Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 3.44Å |
| 174 | V | 95.8 | Very high | 95.2 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 59% | 0.594 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 110.6 | G171 T172 R178 | G171-V174 PolarHBondContact O-N 2.83Å; T172-V174 PolarHBondContact O-N 2.82Å; V174-R178 WeakPolarHBondContact O-CB 3.4Å; V174-R178 PolarHBondContact O-N 3.29Å |
| 175 | D | 94.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 175.7 | -65.9 | -51.1 | 0 | 0 | 0 | 111.4 | Y57 T172 K173 R178 D179 | Y57-D175 HydrophobicContact CD1-CB 4Å; Y57-D175 HydrophobicContact CE1-CB 4.21Å; T172-D175 WeakPolarHBondContact O-CB 3.46Å; T172-D175 PolarHBondContact O-N 3.34Å; T172-D175 VanDerWaalsContact O-N 3.12Å; K173-D175 VanDerWaalsContact C-N 3.33Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-CZ 3.64Å; D175-R178 VanDerWaalsContact OD1-CZ 3.25Å; D175-R178 IonicContact OD1-NH1 3.25Å; D175-R178 PolarHBondContact OD1-NH1 3.13Å; D175-R178 IonicContact OD1-NH2 2.72Å; D175-R178 PolarHBondContact OD1-NH2 3.36Å; D175-R178 VanDerWaalsContact OD1-NH2 3.08Å; D175-D179 WeakPolarHBondContact O-CB 3.28Å; D175-D179 VanDerWaalsContact O-CG 3.31Å; D175-D179 PolarHBondContact O-N 3.09Å |
| 176 | A | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 71.6 Ų | 71.6 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y57 T172 K173 D179 G180 V181 V183 | Y57-A176 VanDerWaalsContact CD1-CA 3.48Å; Y57-A176 HydrophobicContact CD1-CB 3.71Å; Y57-A176 HydrophobicContact CE1-CB 4.48Å; Y57-A176 HydrophobicContact CG-CB 3.97Å; T172-A176 PolarHBondContact O-N 2.8Å; K173-A176 PolarHBondContact O-N 2.9Å; A176-D179 PolarHBondContact O-N 3.45Å; A176-G180 PolarHBondContact O-N 3.47Å; A176-V181 PolarHBondContact O-N 3.5Å; A176-V183 HydrophobicContact CB-CG2 3.88Å |
| 177 | E | 95.7 | Very high | 93.4 | Very high | 155 Ų | 155 | 72.2 Ų | 72.2 | 72% | 0.724 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 175.5 | -75.4 | 175 | -172.3 | 0 | 0 | 111.8 | K173 D179 G180 | K173-E177 WeakPolarHBondContact O-CB 3.29Å; K173-E177 WeakPolarHBondContact O-CG 3.45Å; K173-E177 PolarHBondContact O-N 3.44Å; E177-D179 VanDerWaalsContact C-N 3.29Å; E177-D179 PolarHBondContact O-N 2.65Å; E177-G180 PolarHBondContact O-N 3.03Å |
| 178 | R | 95.9 | Very high | 92.8 | Very high | 151 Ų | 151 | 69 Ų | 69 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.4 | -43 | 176.7 | -177.7 | -169.1 | 66.3 | -134.1 | -11.7 | 111.6 | V174 D175 G180 | V174-R178 WeakPolarHBondContact O-CB 3.4Å; V174-R178 PolarHBondContact O-N 3.29Å; D175-R178 PolarHBondContact O-N 3.38Å; D175-R178 IonicContact OD1-CZ 3.64Å; D175-R178 VanDerWaalsContact OD1-CZ 3.25Å; D175-R178 IonicContact OD1-NH1 3.25Å; D175-R178 PolarHBondContact OD1-NH1 3.13Å; D175-R178 IonicContact OD1-NH2 2.72Å; D175-R178 PolarHBondContact OD1-NH2 3.36Å; D175-R178 VanDerWaalsContact OD1-NH2 3.08Å; R178-G180 VanDerWaalsContact C-N 3.29Å |
| 179 | D | 94.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 1.1 | -175.7 | -61.8 | 2 | 0 | 0 | 0 | 111.8 | Y57 K59 D175 A176 E177 V181 | Y57-D179 HydrophobicContact CE1-CB 4.33Å; Y57-D179 PolarHBondContact OH-OD2 2.93Å; K59-D179 WeakPolarHBondContact CD-OD2 3.37Å; K59-D179 IonicContact NZ-OD2 3.59Å; K59-D179 PolarHBondContact NZ-OD2 2.84Å; D175-D179 WeakPolarHBondContact O-CB 3.28Å; D175-D179 VanDerWaalsContact O-CG 3.31Å; D175-D179 PolarHBondContact O-N 3.09Å; A176-D179 PolarHBondContact O-N 3.45Å; E177-D179 VanDerWaalsContact C-N 3.29Å; E177-D179 PolarHBondContact O-N 2.65Å; D179-V181 VanDerWaalsContact C-N 3.26Å; D179-V181 HydrophobicContact CB-CG2 4.02Å; D179-V181 PolarHBondContact O-N 3.08Å |
| 180 | G | 94.8 | Very high | 91.7 | Very high | 69 Ų | 69 | 71.8 Ų | 71.8 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 23.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A176 E177 R178 | A176-G180 PolarHBondContact O-N 3.47Å; E177-G180 PolarHBondContact O-N 3.03Å; R178-G180 VanDerWaalsContact C-N 3.29Å |
| 181 | V | 94.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | trans | -92.4 | 122.3 | -173.4 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | F46 Y57 A176 D179 V183 | F46-V181 HydrophobicContact CE1-CG1 3.59Å; F46-V181 HydrophobicContact CZ-CG1 3.78Å; Y57-V181 HydrophobicContact CD2-CG1 4.2Å; Y57-V181 HydrophobicContact CE2-CB 4.33Å; Y57-V181 HydrophobicContact CE2-CG1 4.01Å; Y57-V181 HydrophobicContact CE2-CG2 4.19Å; A176-V181 PolarHBondContact O-N 3.5Å; D179-V181 VanDerWaalsContact C-N 3.26Å; D179-V181 HydrophobicContact CB-CG2 4.02Å; D179-V181 PolarHBondContact O-N 3.08Å; V181-V183 PolarHBondContact O-N 3.02Å | ||
| 182 | K | 91.6 | Very high | 89.8 | Confident | 162 Ų | 162 | 69.6 Ų | 69.6 | 70% | 0.704 | 38% | 0.383 | S | S | * | . | trans | -82.2 | 111 | 168.2 | -171.2 | -174.2 | 176.5 | -159.9 | 0 | 110 | E189 | K182-E189 IonicContact NZ-OE1 3.48Å; K182-E189 PolarHBondContact NZ-OE1 2.69Å | ||
| 183 | V | 92.3 | Very high | 87.9 | Confident | 25 Ų | 25 | 79 Ų | 79 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | trans | -73.3 | 130.9 | 178.3 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | F46 A176 V181 | F46-V183 HydrophobicContact CD1-CG1 4.08Å; F46-V183 HydrophobicContact CD1-CG2 4.47Å; A176-V183 HydrophobicContact CB-CG2 3.88Å; V181-V183 PolarHBondContact O-N 3.02Å | ||
| 184 | P | 89.1 | Confident | 85.7 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | trans | -67.7 | 134.4 | 174.4 | 28.6 | -34 | 0 | 0 | 0 | 110.4 | F46 E189 Y190 | F46-P184 HydrophobicContact CB-CG 3.84Å; F46-P184 HydrophobicContact CD1-CG 4.31Å; F46-P184 HydrophobicContact CD2-CG 4.36Å; F46-P184 HydrophobicContact CG-CG 3.9Å; P184-E189 HydrophobicContact CB-CB 3.67Å; P184-Y190 HydrophobicContact CG-CD2 4.21Å | ||
| 185 | T | 82.9 | Confident | 83.1 | Confident | 79 Ų | 79 | 82.8 Ų | 82.8 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | trans | -120.5 | -9.4 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 113 | E189 | T185-E189 PolarHBondContact N-OE2 3.15Š| ||
| 186 | T | 86.3 | Confident | 80.6 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -115.1 | 154.6 | 176.8 | 68.6 | 0 | 0 | 0 | 0 | 110.4 | A188 E189 Y190 | T186-A188 PolarHBondContact O-N 3.38Å; T186-E189 PolarHBondContact N-OE2 3.26Å; T186-E189 PolarHBondContact O-N 3.34Å; T186-E189 VanDerWaalsContact O-N 3.12Å; T186-E189 WeakPolarHBondContact OG1-CB 2.95Å; T186-E189 VanDerWaalsContact OG1-CG 3.24Å; T186-E189 WeakPolarHBondContact OG1-CG 3.3Å; T186-E189 PolarHBondContact OG1-N 2.99Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; T186-Y190 WeakPolarHBondContact O-CB 3.47Å; T186-Y190 PolarHBondContact O-N 3.35Å |
| 187 | L | 83.9 | Confident | 78.3 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.6 | -36.3 | 175.6 | -172.5 | 66.4 | 0 | 0 | 0 | 111.9 | E189 Y190 C191 | L187-E189 VanDerWaalsContact C-N 3.33Å; L187-E189 PolarHBondContact O-N 2.83Å; L187-Y190 PolarHBondContact O-N 3.34Å; L187-C191 VanDerWaalsContact CD1-SG 3.58Å; L187-C191 WeakPolarHBondContact O-CB 3.49Å; L187-C191 PolarHBondContact O-N 3.01Å |
| 188 | A | 84.3 | Confident | 75.8 | Confident | 84 Ų | 84 | 87 Ų | 87 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.9 | -29.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T186 | T186-A188 PolarHBondContact O-N 3.38Å |
| 189 | E | 85.3 | Confident | 73.6 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -81.1 | -30.6 | 172.9 | -71.2 | 174.3 | 152.6 | 0 | 0 | 111.9 | K182 P184 T185 T186 L187 | K182-E189 IonicContact NZ-OE1 3.48Å; K182-E189 PolarHBondContact NZ-OE1 2.69Å; P184-E189 HydrophobicContact CB-CB 3.67Å; T185-E189 PolarHBondContact N-OE2 3.15Å; T186-E189 PolarHBondContact N-OE2 3.26Å; T186-E189 PolarHBondContact O-N 3.34Å; T186-E189 VanDerWaalsContact O-N 3.12Å; T186-E189 WeakPolarHBondContact OG1-CB 2.95Å; T186-E189 VanDerWaalsContact OG1-CG 3.24Å; T186-E189 WeakPolarHBondContact OG1-CG 3.3Å; T186-E189 PolarHBondContact OG1-N 2.99Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; L187-E189 VanDerWaalsContact C-N 3.33Å; L187-E189 PolarHBondContact O-N 2.83Å |
| 190 | Y | 84.4 | Confident | 71.4 | Confident | 19 Ų | 19 | 89 Ų | 89 | 8% | 0.075 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -77.3 | -46.5 | -178.6 | -173.1 | -87.1 | 0 | 0 | 0 | 112.5 | E26 G27 F46 P48 P49 P184 T186 L187 V192 | E26-Y190 HydrophobicContact CB-CD1 4.36Å; E26-Y190 HydrophobicContact CB-CE1 3.94Å; E26-Y190 PolarHBondContact O-OH 3.29Å; G27-Y190 WeakPolarHBondContact CA-OH 3.43Å; F46-Y190 HydrophobicContact CB-CE2 4.24Å; F46-Y190 WeakPolarHBondContact O-CE2 3.31Å; P48-Y190 HydrophobicContact CB-CE1 4.34Å; P48-Y190 HydrophobicContact CB-CE2 4.15Å; P48-Y190 HydrophobicContact CG-CE2 4.33Å; P49-Y190 HydrophobicContact CG-CG 4.38Å; P184-Y190 HydrophobicContact CG-CD2 4.21Å; T186-Y190 WeakPolarHBondContact O-CB 3.47Å; T186-Y190 PolarHBondContact O-N 3.35Å; L187-Y190 PolarHBondContact O-N 3.34Å; Y190-V192 PolarHBondContact O-N 3.42Å |
| 191 | C | 82.7 | Confident | 69.2 | Low | 38 Ų | 38 | 94.8 Ų | 94.8 | 26% | 0.257 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -78.6 | 109.6 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 109.6 | E26 L187 K193 | E26-C191 WeakPolarHBondContact OE1-CA 3.49Å; E26-C191 VanDerWaalsContact OE1-CB 3.31Å; E26-C191 WeakPolarHBondContact OE1-CB 3.23Å; E26-C191 PolarHBondContact OE2-SG 2.88Å; E26-C191 VanDerWaalsContact OE2-SG 3.4Å; L187-C191 VanDerWaalsContact CD1-SG 3.58Å; L187-C191 WeakPolarHBondContact O-CB 3.49Å; L187-C191 PolarHBondContact O-N 3.01Å; C191-K193 PolarHBondContact O-N 2.9Å |
| 192 | V | 68.6 | Low | 67.3 | Low | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.37 | 56% | 0.556 | S | S | . | * | trans | -69 | 117.6 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | P24 Y190 T194 | P24-V192 HydrophobicContact CG-CG1 4.06Å; P24-V192 HydrophobicContact CG-CG2 4.16Å; Y190-V192 PolarHBondContact O-N 3.42Å; V192-T194 VanDerWaalsContact C-N 3.31Å; V192-T194 PolarHBondContact O-N 2.97Å | ||
| 193 | K | 57.4 | Low | 65.2 | Low | 197 Ų | 197 | 92.9 Ų | 92.9 | 86% | 0.857 | 55% | 0.552 | S | S | * | * | trans | -66.1 | 95.4 | 168.2 | -67.6 | -176.7 | -178.4 | 180 | 0 | 107.9 | C191 K195 | C191-K193 PolarHBondContact O-N 2.9Å; K193-K195 PolarHBondContact O-N 3.45Å | ||
| 194 | T | 49.2 | Very low | 62.9 | Low | 82 Ų | 82 | 99.3 Ų | 99.3 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 121.4 | 166.8 | 47.5 | 0 | 0 | 0 | 0 | 107.2 | E23 V192 A196 | E23-T194 HydrophobicContact CG-CG2 3.7Å; V192-T194 VanDerWaalsContact C-N 3.31Å; V192-T194 PolarHBondContact O-N 2.97Å; T194-A196 PolarHBondContact O-N 3.19Å |
| 195 | K | 41.6 | Very low | 60.8 | Low | 204 Ų | 204 | 106.2 Ų | 106.2 | 89% | 0.887 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.3 | 177.6 | -159 | -179.8 | -177.2 | -173.9 | 0 | 105.8 | K193 | K193-K195 PolarHBondContact O-N 3.45Š|
| 196 | A | 43 | Very low | 58.6 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 139.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | T194 A198 | T194-A196 PolarHBondContact O-N 3.19Å; A196-A198 PolarHBondContact O-N 2.76Å |
| 197 | P | 46.8 | Very low | 56.4 | Low | 122 Ų | 122 | 116 Ų | 116 | 79% | 0.792 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 133.9 | 171 | -20.3 | 30 | 0 | 0 | 0 | 108 | ||
| 198 | A | 43.2 | Very low | 54.1 | Low | 84 Ų | 84 | 121 Ų | 121 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 138.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | A196 D200 | A196-A198 PolarHBondContact O-N 2.76Å; A198-D200 PolarHBondContact O-N 3.38Å |
| 199 | P | 49.1 | Very low | 52.1 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.6 | 170.3 | 22.1 | -29.4 | 0 | 0 | 0 | 107.1 | E201 | P199-E201 PolarHBondContact O-N 3.42Š|
| 200 | D | 48.1 | Very low | 50 | Low | 127 Ų | 127 | 129.6 Ų | 129.6 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | trans | -62.4 | 104.9 | 176.5 | -174.4 | 36.2 | 0 | 0 | 0 | 107.3 | A198 G202 | A198-D200 PolarHBondContact O-N 3.38Å; D200-G202 PolarHBondContact O-N 2.83Å | ||
| 201 | E | 50.5 | Low | 47.8 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | -75.3 | 87.8 | 165 | -72 | -152.4 | 169.6 | 0 | 0 | 107.6 | P199 | P199-E201 PolarHBondContact O-N 3.42Š| ||
| 202 | G | 54.3 | Low | 45.7 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | trans | 63.1 | 98.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D200 | D200-G202 PolarHBondContact O-N 2.83Š| ||
| 203 | S | 46.2 | Very low | 44.2 | Very low | 88 Ų | 88 | 143.1 Ų | 143.1 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | trans | -122.5 | 109.7 | 146.2 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | L205 | S203-L205 PolarHBondContact O-N 2.78Š| ||
| 204 | D | 44.8 | Very low | 43.2 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | trans | -59 | 97 | 175.4 | -72.7 | -50.4 | 0 | 0 | 0 | 110.1 | F206 | D204-F206 VanDerWaalsContact C-N 3.3Å; D204-F206 PolarHBondContact O-N 3.48Å | ||
| 205 | L | 45 | Very low | 42.6 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -94.9 | 58.4 | 170.1 | -168.6 | 67.8 | 0 | 0 | 0 | 109.9 | S203 | S203-L205 PolarHBondContact O-N 2.78Š| ||
| 206 | F | 37.1 | Very low | 42.6 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -147.3 | 63.8 | 167.8 | -88.3 | -80.7 | 0 | 0 | 0 | 109.5 | D204 | D204-F206 VanDerWaalsContact C-N 3.3Å; D204-F206 PolarHBondContact O-N 3.48Å | ||
| 207 | D | 39.4 | Very low | 42.4 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -139.6 | 32.5 | 176.5 | -126.2 | 9.8 | 0 | 0 | 0 | 113.4 | ||||
| 208 | Y | 34.7 | Very low | 41.8 | Very low | 218 Ų | 218 | 146.3 Ų | 146.3 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -121.1 | 28.3 | 176.6 | -113 | -82.7 | 0 | 0 | 0 | 114.4 | ||||
| 209 | Y | 43.1 | Very low | 41.6 | Very low | 224 Ų | 224 | 146.5 Ų | 146.5 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -100.4 | 100.5 | 159.1 | -76.7 | -73.1 | 0 | 0 | 0 | 108.9 | ||
| 210 | V | 41.3 | Very low | 41 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -54.7 | 132.6 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | G212 | V210-G212 PolarHBondContact O-N 3.18Š| ||
| 211 | D | 38.6 | Very low | 40.4 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -32.1 | 123.3 | 162.3 | -93.4 | -39.6 | 0 | 0 | 0 | 113.7 | ||||
| 212 | G | 37.8 | Very low | 39.7 | Very low | 65 Ų | 65 | 144.1 Ų | 144.1 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -137.1 | 91.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | V210 | V210-G212 PolarHBondContact O-N 3.18Š| ||
| 213 | E | 37.3 | Very low | 38.9 | Very low | 178 Ų | 178 | 148.3 Ų | 148.3 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -40.7 | 129.2 | -179 | -63.1 | 172 | 149.4 | 0 | 0 | 113.3 | ||||
| 214 | V | 36.6 | Very low | 38.6 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | trans | -122.2 | 97.1 | 159 | -159 | 0 | 0 | 0 | 0 | 106.3 | E216 | V214-E216 PolarHBondContact O-N 3.13Š| ||
| 215 | E | 35.9 | Very low | 38.4 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 122.1 | 168.7 | -72.3 | -149.4 | 149.2 | 0 | 0 | 109.7 | ||||
| 216 | E | 41.3 | Very low | 38.1 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 130.8 | 162.7 | -78.2 | -95.8 | 156.9 | 0 | 0 | 109.6 | V214 | V214-E216 PolarHBondContact O-N 3.13Š| ||
| 217 | A | 38.3 | Very low | 38.3 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 100.5 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 218 | D | 34.7 | Very low | 38.4 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | 52.3 | 118.6 | 133.4 | -100.4 | -19.3 | 0 | 0 | 0 | 121.7 | ||||
| 219 | S | 39.4 | Very low | 38.6 | Very low | 87 Ų | 87 | 143.8 Ų | 143.8 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | 36.3 | 127.3 | 127.8 | 80.4 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 220 | C | 37 | Very low | 39.2 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | -173.3 | 119 | 116.9 | -94.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 221 | F | 36 | Very low | 39.4 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | trans | 27.5 | 135.7 | 133.8 | -66.1 | -88.1 | 0 | 0 | 0 | 121 | ||||
| 222 | G | 34.1 | Very low | 39.6 | Very low | 70 Ų | 70 | 138.7 Ų | 138.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 139.4 | 85.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 223 | D | 38.4 | Very low | 40.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 20.7 | 151.8 | 130.5 | -71.2 | -38.9 | 0 | 0 | 0 | 123.5 | ||||
| 224 | E | 39.2 | Very low | 40.9 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | 78.4 | 107.7 | 152.1 | -74.8 | 169.3 | 177.3 | 0 | 0 | 117.4 | ||||
| 225 | E | 40.7 | Very low | 41.1 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | 99.7 | 128.4 | 73.9 | -89.7 | -153.7 | 177.2 | 0 | 0 | 111.9 | |||||
| 226 | D | 39.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 50 | 134 | 149.3 | -65.6 | -22.9 | 0 | 0 | 0 | 122.9 | ||||
| 227 | D | 41.8 | Very low | 41.4 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 137.2 | 119.2 | 114.3 | -154.8 | 45.2 | 0 | 0 | 0 | 115 | |||||
| 228 | F | 40.5 | Very low | 41.6 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | trans | 40.9 | 125.7 | 145.3 | -87.3 | -119.7 | 0 | 0 | 0 | 122.4 | ||||
| 229 | G | 39.8 | Very low | 42.1 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | 140.2 | 151.2 | 117.4 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 230 | P | 55.8 | Low | 42.3 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -129 | 172.6 | -136.4 | 38.8 | -22 | 0 | 0 | 0 | 117.1 | ||||
| 231 | K | 45.3 | Very low | 42.7 | Very low | 186 Ų | 186 | 147.2 Ų | 147.2 | 81% | 0.809 | 82% | 0.818 | S | S | * | * | trans | 61.1 | 120.5 | 141.1 | -80 | -176.7 | 178.1 | 178.6 | 0 | 121.1 | ||||
| 232 | S | 41.7 | Very low | 43.2 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | 82.6 | 172 | 104.1 | -53 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 233 | P | 62 | Low | 44 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 100% | 1.286 | 82% | 0.819 | S | S | * | * | cis | -78.2 | 0 | 13.8 | -11.9 | 30.5 | 0 | 0 | 0 | 115.8 |
Retrieved 233 of 233 residues in 404.3 ms
(Link to these results)