| 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 | 83.7 | Confident | 87.7 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 39% | 0.389 | 38% | 0.379 | S | S | . | . | 0 | 141.2 | 0 | -178.3 | 177.2 | 70 | 0 | 0 | 108.5 | G143 N144 E151 M154 | M1-G143 WeakPolarHBondContact O-CA 3.43Å; M1-N144 WeakPolarHBondContact CA-OD1 3.44Å; M1-N144 WeakPolarHBondContact CB-OD1 3.25Å; M1-N144 PolarHBondContact N-OD1 2.83Å; M1-N144 PolarHBondContact O-N 3.49Å; M1-N144 VanDerWaalsContact O-N 3.16Å; M1-N144 PolarHBondContact O-OD1 3.13Å; M1-E151 HydrophobicContact CE-CB 3.68Å; M1-E151 HydrophobicContact CE-CG 3.79Å; M1-E151 HydrophobicContact SD-CG 4.48Å; M1-M154 HydrophobicContact CE-CE 3.98Å; M1-M154 HydrophobicContact CE-SD 3.25Å; M1-M154 WeakPolarHBondContact CE-SD 3.43Å; M1-M154 WeakPolarHBondContact O-CE 3.27Å | |||
| 2 | R | 88.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 10% | 0.102 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136 | 176.3 | -78.3 | 174.4 | -85.7 | 137.1 | -10.6 | 111 | E81 Q83 I142 | R2-E81 PolarHBondContact NH2-O 3.46Å; R2-Q83 VanDerWaalsContact NH1-CG 3.26Å; R2-I142 CarbonylContact C-O 3.6Å; R2-I142 WeakPolarHBondContact CA-O 3.45Å |
| 3 | K | 91.2 | Very high | 88 | Confident | 55 Ų | 55 | 72.7 Ų | 72.7 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.3 | 170.6 | -65.5 | -66.4 | -172.9 | -177.6 | 0 | 107.5 | V141 I142 E151 M154 N155 M158 | K3-V141 WeakPolarHBondContact O-CA 3.37Å; K3-I142 PolarHBondContact N-O 2.7Å; K3-I142 PolarHBondContact O-N 3.35Å; K3-E151 WeakPolarHBondContact CE-OE1 3.49Å; K3-E151 IonicContact NZ-OE1 2.72Å; K3-E151 PolarHBondContact NZ-OE1 2.77Å; K3-M154 HydrophobicContact CB-CE 4.42Å; K3-M154 HydrophobicContact CG-CB 4.44Å; K3-M154 HydrophobicContact CG-CE 3.96Å; K3-N155 WeakPolarHBondContact CE-OD1 3.34Å; K3-M158 VanDerWaalsContact C-CE 3.46Å; K3-M158 HydrophobicContact CB-CE 3.54Å; K3-M158 WeakPolarHBondContact O-CE 3.47Å |
| 4 | T | 93.1 | Very high | 88.3 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 44% | 0.436 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146 | 179.4 | 57 | 0 | 0 | 0 | 0 | 110.2 | Q83 L86 L140 V141 | T4-Q83 VanDerWaalsContact CG2-OE1 3.27Å; T4-L86 HydrophobicContact CG2-CD1 4.24Å; T4-L140 CarbonylContact C-O 3.57Å; T4-L140 WeakPolarHBondContact CA-O 3.48Å; T4-V141 HydrophobicContact CG2-CG1 4.15Å; T4-V141 HydrophobicContact CG2-CG2 4.06Å |
| 5 | K | 93.4 | Very high | 88.6 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 119.1 | 176.8 | -178.2 | 71.3 | 175.5 | -167.9 | 0 | 109.2 | I7 L140 M158 E162 | K5-I7 HydrophobicContact CG-CG1 4.25Å; K5-L140 HydrophobicContact CB-CB 4.49Å; K5-L140 PolarHBondContact N-O 2.74Å; K5-L140 PolarHBondContact O-N 3.48Å; K5-M158 HydrophobicContact CB-CE 4.27Å; K5-M158 HydrophobicContact CB-CG 4.47Å; K5-M158 HydrophobicContact CB-SD 3.63Å; K5-E162 WeakPolarHBondContact CE-OE1 3.46Å; K5-E162 IonicContact NZ-OE1 3.81Å |
| 6 | E | 93.1 | Very high | 88.8 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.5 | 170.7 | -65.4 | -175.8 | 165.2 | 0 | 0 | 110 | F8 I137 S138 | E6-F8 HydrophobicContact CB-CE2 3.93Å; E6-I137 HydrophobicContact CB-CG2 4.34Å; E6-I137 HydrophobicContact CG-CG2 4.38Å; E6-S138 CarbonylContact C-O 3.59Å; E6-S138 WeakPolarHBondContact CA-O 3.31Å |
| 7 | I | 90.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123 | 179.8 | -54.2 | 172.6 | 0 | 0 | 0 | 107.5 | K5 L12 S138 L140 E162 L165 L166 | K5-I7 HydrophobicContact CG-CG1 4.25Å; I7-L12 HydrophobicContact CB-CD1 4.29Å; I7-L12 HydrophobicContact CG2-CD1 3.66Å; I7-S138 PolarHBondContact N-O 2.69Å; I7-S138 PolarHBondContact O-N 3.14Å; I7-S138 VanDerWaalsContact O-N 3.13Å; I7-L140 HydrophobicContact CD1-CB 4.3Å; I7-L140 HydrophobicContact CD1-CD2 4.49Å; I7-E162 HydrophobicContact CD1-CG 4.14Å; I7-L165 HydrophobicContact CD1-CD1 3.82Å; I7-L166 HydrophobicContact CG2-CD2 4.09Å |
| 8 | F | 85.5 | Confident | 89.4 | Confident | 140 Ų | 140 | 54.2 Ų | 54.2 | 61% | 0.614 | 26% | 0.257 | S | S | * | . | trans | -108.6 | 98.8 | 177.5 | -64.2 | -96.5 | 0 | 0 | 0 | 108.6 | E6 I137 | E6-F8 HydrophobicContact CB-CE2 3.93Å; F8-I137 HydrophobicContact CD1-CD1 4.41Å; F8-I137 HydrophobicContact CD1-CG1 3.94Å; F8-I137 HydrophobicContact CE1-CB 4.39Å; F8-I137 HydrophobicContact CE1-CD1 3.42Å; F8-I137 VanDerWaalsContact CE1-CD1 3.42Å; F8-I137 HydrophobicContact CE1-CG1 3.41Å; F8-I137 VanDerWaalsContact CE1-CG1 3.41Å; F8-I137 HydrophobicContact CE1-CG2 4.25Å; F8-I137 HydrophobicContact CZ-CD1 3.79Å; F8-I137 HydrophobicContact CZ-CG1 4.07Å; F8-I137 HydrophobicContact CZ-CG2 4.17Å | ||
| 9 | D | 82.2 | Confident | 89.6 | Confident | 48 Ų | 48 | 54.7 Ų | 54.7 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | trans | -143.4 | 124.7 | 175 | -168 | -35.3 | 0 | 0 | 0 | 109.5 | H11 L12 L166 | D9-H11 PolarHBondContact O-N 3.17Å; D9-H11 VanDerWaalsContact O-N 3.17Å; D9-H11 WeakPolarHBondContact OD1-CB 3.13Å; D9-H11 IonicContact OD1-CD2 2.69Å; D9-H11 PolarHBondContact OD1-CD2 2.92Å; D9-H11 VanDerWaalsContact OD1-CD2 3.24Å; D9-H11 IonicContact OD1-CG 2.71Å; D9-H11 PolarHBondContact OD1-N 3.1Å; D9-L12 HydrophobicContact CB-CD1 4Å; D9-L12 HydrophobicContact CB-CG 3.97Å; D9-L12 WeakPolarHBondContact O-CB 3.24Å; D9-L12 PolarHBondContact O-N 3.11Å; D9-L12 VanDerWaalsContact O-N 3.07Å; D9-L166 HydrophobicContact CB-CD2 4.28Å | ||
| 10 | K | 80.4 | Confident | 89.7 | Confident | 168 Ų | 168 | 53 Ų | 53 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.3 | 179.5 | 66.8 | -180 | -178.2 | 178.7 | 0 | 113.7 | ||
| 11 | H | 83 | Confident | 89.8 | Confident | 91 Ų | 91 | 51 Ų | 51 | 42% | 0.421 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14.1 | 177.8 | -61.8 | -68.5 | 0 | 0 | 0 | 112.4 | D9 T13 T16 | D9-H11 PolarHBondContact O-N 3.17Å; D9-H11 VanDerWaalsContact O-N 3.17Å; D9-H11 WeakPolarHBondContact OD1-CB 3.13Å; D9-H11 IonicContact OD1-CD2 2.69Å; D9-H11 PolarHBondContact OD1-CD2 2.92Å; D9-H11 VanDerWaalsContact OD1-CD2 3.24Å; D9-H11 IonicContact OD1-CG 2.71Å; D9-H11 PolarHBondContact OD1-N 3.1Å; H11-T13 PolarHBondContact O-N 3.33Å; H11-T16 PolarHBondContact O-OG1 3.31Å |
| 12 | L | 88.5 | Confident | 90 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | trans | -80.1 | 111.1 | 173.4 | -66.3 | 178.5 | 0 | 0 | 0 | 109.7 | I7 D9 T16 I17 Y131 L165 | I7-L12 HydrophobicContact CB-CD1 4.29Å; I7-L12 HydrophobicContact CG2-CD1 3.66Å; D9-L12 HydrophobicContact CB-CD1 4Å; D9-L12 HydrophobicContact CB-CG 3.97Å; D9-L12 WeakPolarHBondContact O-CB 3.24Å; D9-L12 PolarHBondContact O-N 3.11Å; D9-L12 VanDerWaalsContact O-N 3.07Å; L12-T16 WeakPolarHBondContact CA-OG1 2.97Å; L12-I17 HydrophobicContact CB-CD1 4.22Å; L12-I17 HydrophobicContact CB-CG1 4.05Å; L12-I17 HydrophobicContact CD2-CG1 3.95Å; L12-I17 HydrophobicContact CG-CG1 4.47Å; L12-Y131 WeakPolarHBondContact O-CE2 3.25Å; L12-Y131 PolarHBondContact O-OH 2.61Å; L12-Y131 VanDerWaalsContact O-OH 3.07Å; L12-L165 HydrophobicContact CD2-CB 4.31Å; L12-L165 HydrophobicContact CD2-CD2 4.43Å; L12-L165 WeakPolarHBondContact CD2-O 3.31Å | ||
| 13 | T | 90.5 | Very high | 89.9 | Confident | 47 Ų | 47 | 55 Ų | 55 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | trans | -121.7 | 166.7 | 169.8 | 70.8 | 0 | 0 | 0 | 0 | 107.6 | H11 E15 T16 I17 | H11-T13 PolarHBondContact O-N 3.33Å; T13-E15 PolarHBondContact O-N 3.41Å; T13-E15 VanDerWaalsContact O-N 3.14Å; T13-T16 PolarHBondContact N-OG1 3Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 VanDerWaalsContact O-N 3.16Å; T13-T16 PolarHBondContact O-OG1 3.27Å; T13-T16 PolarHBondContact OG1-N 2.74Å; T13-T16 PolarHBondContact OG1-OG1 3.43Å; T13-I17 WeakPolarHBondContact O-CB 3.27Å; T13-I17 WeakPolarHBondContact O-CD1 3.44Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.09Å | ||
| 14 | T | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -49.8 | -43.1 | 176.8 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | Y18 L28 E30 A39 I41 Y131 | T14-Y18 WeakPolarHBondContact O-CB 3.49Å; T14-Y18 PolarHBondContact O-N 3.02Å; T14-L28 HydrophobicContact CG2-CD1 3.34Å; T14-L28 HydrophobicContact CG2-CD2 3.95Å; T14-L28 HydrophobicContact CG2-CG 4.28Å; T14-E30 HydrophobicContact CG2-CG 4Å; T14-E30 VanDerWaalsContact CG2-OE1 3.24Å; T14-E30 WeakPolarHBondContact CG2-OE1 3.48Å; T14-A39 HydrophobicContact CG2-CB 3.53Å; T14-I41 HydrophobicContact CG2-CD1 4.4Å; T14-Y131 WeakPolarHBondContact OG1-CD1 3Å |
| 15 | E | 91.9 | Very high | 89 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.089 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.2 | -40.4 | -178 | -60.5 | 166.8 | 79.6 | 0 | 0 | 112.4 | T13 Y19 L171 F224 R228 R231 | T13-E15 PolarHBondContact O-N 3.41Å; T13-E15 VanDerWaalsContact O-N 3.14Å; E15-Y19 VanDerWaalsContact O-CB 3.24Å; E15-Y19 WeakPolarHBondContact O-CB 3.39Å; E15-Y19 PolarHBondContact O-N 3.49Å; E15-L171 HydrophobicContact CB-CD1 3.51Å; E15-F224 HydrophobicContact CB-CZ 4.46Å; E15-R228 HydrophobicContact CG-CG 4.14Å; E15-R228 WeakPolarHBondContact OE1-CB 3.39Å; E15-R228 WeakPolarHBondContact OE1-CG 3.21Å; E15-R228 IonicContact OE1-CZ 3.26Å; E15-R228 IonicContact OE1-NE 3.78Å; E15-R228 PolarHBondContact OE1-NE 2.95Å; E15-R231 IonicContact OE2-NH1 2.85Å; E15-R231 PolarHBondContact OE2-NH1 2.93Å |
| 16 | T | 92.4 | Very high | 89.1 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72 | -37.4 | 178.8 | 59 | 0 | 0 | 0 | 0 | 111.4 | H11 L12 T13 Y19 S20 L171 | H11-T16 PolarHBondContact O-OG1 3.31Å; L12-T16 WeakPolarHBondContact CA-OG1 2.97Å; T13-T16 PolarHBondContact N-OG1 3Å; T13-T16 PolarHBondContact O-N 2.74Å; T13-T16 VanDerWaalsContact O-N 3.16Å; T13-T16 PolarHBondContact O-OG1 3.27Å; T13-T16 PolarHBondContact OG1-N 2.74Å; T13-T16 PolarHBondContact OG1-OG1 3.43Å; T16-Y19 PolarHBondContact O-N 3.2Å; T16-S20 WeakPolarHBondContact O-CB 3.27Å; T16-S20 PolarHBondContact O-N 2.92Å; T16-S20 PolarHBondContact O-OG 3.48Å; T16-L171 HydrophobicContact CG2-CD1 4.19Å; T16-L171 HydrophobicContact CG2-CD2 4.39Å; T16-L171 HydrophobicContact CG2-CG 4.03Å |
| 17 | I | 94.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -52.4 | 173.8 | -65.7 | 163.5 | 0 | 0 | 0 | 109.8 | L12 T13 Y19 S20 L21 I41 V129 Y131 S138 L165 | L12-I17 HydrophobicContact CB-CD1 4.22Å; L12-I17 HydrophobicContact CB-CG1 4.05Å; L12-I17 HydrophobicContact CD2-CG1 3.95Å; L12-I17 HydrophobicContact CG-CG1 4.47Å; T13-I17 WeakPolarHBondContact O-CB 3.27Å; T13-I17 WeakPolarHBondContact O-CD1 3.44Å; T13-I17 WeakPolarHBondContact O-CG1 3.24Å; T13-I17 PolarHBondContact O-N 3.09Å; I17-Y19 PolarHBondContact O-N 2.95Å; I17-S20 PolarHBondContact O-N 2.73Å; I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 2.96Å; I17-I41 HydrophobicContact CB-CD1 4.35Å; I17-I41 HydrophobicContact CB-CG1 4.4Å; I17-I41 HydrophobicContact CG2-CB 4.04Å; I17-I41 HydrophobicContact CG2-CD1 3.84Å; I17-I41 HydrophobicContact CG2-CG1 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.26Å; I17-V129 HydrophobicContact CD1-CG1 4.27Å; I17-V129 HydrophobicContact CG2-CB 3.93Å; I17-V129 HydrophobicContact CG2-CG1 3.88Å; I17-V129 HydrophobicContact CG2-CG2 4.17Å; I17-Y131 HydrophobicContact CD1-CD2 3.87Å; I17-Y131 HydrophobicContact CD1-CG 3.84Å; I17-S138 WeakPolarHBondContact CD1-OG 3.24Å; I17-L165 HydrophobicContact CB-CD2 4.34Å; I17-L165 HydrophobicContact CG1-CD2 4.39Å; I17-L165 HydrophobicContact CG2-CD2 3.92Å |
| 18 | Y | 94.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 176.7 | -178.3 | -86 | 0 | 0 | 0 | 111 | T14 S20 L21 K22 T26 L28 I41 F224 Y241 | T14-Y18 WeakPolarHBondContact O-CB 3.49Å; T14-Y18 PolarHBondContact O-N 3.02Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 3.18Å; Y18-L21 CarbonylContact O-C 3.58Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y18-K22 HydrophobicContact CD1-CB 4.16Å; Y18-K22 HydrophobicContact CE1-CB 3.71Å; Y18-K22 HydrophobicContact CE1-CD 4.44Å; Y18-K22 WeakPolarHBondContact O-CA 3.36Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3Å; Y18-T26 HydrophobicContact CD2-CG2 3.75Å; Y18-T26 HydrophobicContact CE2-CG2 3.38Å; Y18-T26 PolarHBondContact OH-O 3.19Å; Y18-L28 HydrophobicContact CD2-CB 3.75Å; Y18-L28 HydrophobicContact CD2-CD2 4.29Å; Y18-L28 HydrophobicContact CE2-CB 4.1Å; Y18-I41 HydrophobicContact CD2-CG2 4.22Å; Y18-F224 HydrophobicContact CD1-CD1 4.16Å; Y18-F224 AromaticContact CD1-CD2 3.54Å; Y18-F224 HydrophobicContact CD1-CD2 3.54Å; Y18-F224 AromaticContact CD1-CE1 3.79Å; Y18-F224 HydrophobicContact CD1-CE1 3.79Å; Y18-F224 AromaticContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CG 4.05Å; Y18-F224 AromaticContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD2-CE2 4.41Å; Y18-F224 HydrophobicContact CE1-CD1 4.31Å; Y18-F224 AromaticContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CD2 3.5Å; Y18-F224 VanDerWaalsContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CE1 4.4Å; Y18-F224 AromaticContact CE1-CE2 3.63Å; Y18-F224 HydrophobicContact CE1-CE2 3.63Å; Y18-F224 AromaticContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CZ 4.09Å; Y18-F224 HydrophobicContact CG-CD2 4.33Å; Y18-F224 AromaticContact CG-CE2 3.62Å; Y18-F224 HydrophobicContact CG-CE2 3.62Å; Y18-F224 AromaticContact CG-CZ 3.85Å; Y18-F224 HydrophobicContact CG-CZ 3.85Å; Y18-Y241 HydrophobicContact CE1-CD1 4.24Å; Y18-Y241 HydrophobicContact CE1-CE1 4.16Å; Y18-Y241 AromaticContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CE1 4.35Å; Y18-Y241 AromaticContact CZ-CD1 3.58Å; Y18-Y241 AromaticContact CZ-CE1 3.62Å; Y18-Y241 WeakPolarHBondContact OH-CD1 3.42Å; Y18-Y241 WeakPolarHBondContact OH-CE1 3.44Å |
| 19 | Y | 92.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 26% | 0.255 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.1 | -31.8 | -176.7 | -167.6 | -87.2 | 0 | 0 | 0 | 113.3 | E15 T16 I17 L21 K22 V168 L171 P172 F224 | E15-Y19 VanDerWaalsContact O-CB 3.24Å; E15-Y19 WeakPolarHBondContact O-CB 3.39Å; E15-Y19 PolarHBondContact O-N 3.49Å; T16-Y19 PolarHBondContact O-N 3.2Å; I17-Y19 PolarHBondContact O-N 2.95Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-K22 HydrophobicContact CD2-CD 4.01Å; Y19-K22 HydrophobicContact CE2-CD 4.29Å; Y19-K22 VanDerWaalsContact CE2-NZ 3.27Å; Y19-K22 HydrophobicContact CG-CD 4.44Å; Y19-V168 HydrophobicContact CD1-CG1 4.04Å; Y19-L171 HydrophobicContact CD1-CD2 3.89Å; Y19-L171 HydrophobicContact CD2-CD2 3.74Å; Y19-L171 HydrophobicContact CG-CD2 3.36Å; Y19-P172 HydrophobicContact CE2-CG 3.86Å; Y19-P172 VanDerWaalsContact CZ-CD 3.5Å; Y19-P172 WeakPolarHBondContact OH-CG 3.28Å; Y19-F224 HydrophobicContact CD2-CD1 4.39Å; Y19-F224 HydrophobicContact CD2-CE1 4.16Å |
| 20 | S | 92 | Very high | 90.8 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 13% | 0.133 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.3 | -29.7 | 176 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | T16 I17 Y18 V168 | T16-S20 WeakPolarHBondContact O-CB 3.27Å; T16-S20 PolarHBondContact O-N 2.92Å; T16-S20 PolarHBondContact O-OG 3.48Å; I17-S20 PolarHBondContact O-N 2.73Å; Y18-S20 VanDerWaalsContact C-N 3.26Å; Y18-S20 PolarHBondContact O-N 3.18Å; S20-V168 WeakPolarHBondContact OG-CB 3.29Å; S20-V168 WeakPolarHBondContact OG-CG2 3.47Å |
| 21 | L | 92.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -110.3 | 2.5 | -173.1 | -61.7 | 178.9 | 0 | 0 | 0 | 112.7 | I17 Y18 Y19 D23 T26 I41 F43 V129 L161 L165 | I17-L21 HydrophobicContact CG2-CD1 4.09Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 2.96Å; Y18-L21 CarbonylContact O-C 3.58Å; Y18-L21 PolarHBondContact O-N 3.03Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; L21-D23 PolarHBondContact O-N 3.06Å; L21-T26 PolarHBondContact O-OG1 2.99Å; L21-T26 VanDerWaalsContact O-OG1 3.05Å; L21-I41 HydrophobicContact CD1-CG2 4.42Å; L21-F43 HydrophobicContact CB-CD1 4.31Å; L21-F43 HydrophobicContact CB-CG 4.4Å; L21-F43 HydrophobicContact CD1-CD1 3.69Å; L21-F43 HydrophobicContact CD1-CE1 3.52Å; L21-F43 HydrophobicContact CD1-CG 4.45Å; L21-F43 HydrophobicContact CD1-CZ 4.14Å; L21-V129 HydrophobicContact CD1-CG2 3.8Å; L21-L161 HydrophobicContact CD2-CD2 3.6Å; L21-L165 HydrophobicContact CD1-CD2 3.7Å; L21-L165 HydrophobicContact CD1-CG 4.36Å; L21-L165 HydrophobicContact CD2-CD2 4.16Å; L21-L165 HydrophobicContact CD2-CG 4.22Å; L21-L165 HydrophobicContact CG-CD2 3.77Å; L21-L165 HydrophobicContact CG-CG 4.38Å |
| 22 | K | 88.5 | Confident | 91.8 | Very high | 82 Ų | 82 | 35.3 Ų | 35.3 | 36% | 0.357 | 16% | 0.156 | S | C | . | . | trans | -66.6 | 119.7 | -175.7 | 76.5 | 179.3 | -173.3 | 167.7 | 0 | 109.8 | Y18 Y19 D222 | Y18-K22 HydrophobicContact CD1-CB 4.16Å; Y18-K22 HydrophobicContact CE1-CB 3.71Å; Y18-K22 HydrophobicContact CE1-CD 4.44Å; Y18-K22 WeakPolarHBondContact O-CA 3.36Å; Y18-K22 WeakPolarHBondContact O-CB 3.38Å; Y18-K22 PolarHBondContact O-N 3Å; Y19-K22 HydrophobicContact CD2-CD 4.01Å; Y19-K22 HydrophobicContact CE2-CD 4.29Å; Y19-K22 VanDerWaalsContact CE2-NZ 3.27Å; Y19-K22 HydrophobicContact CG-CD 4.44Å; K22-D222 IonicContact NZ-OD2 2.82Å | ||
| 23 | D | 85.4 | Confident | 91.5 | Very high | 109 Ų | 109 | 37.1 Ų | 37.1 | 58% | 0.583 | 17% | 0.168 | S | C | * | . | trans | -142.1 | 176 | 163.7 | -156.7 | -16.3 | 0 | 0 | 0 | 106.5 | L21 G25 T26 | L21-D23 PolarHBondContact O-N 3.06Å; D23-G25 PolarHBondContact O-N 2.99Å; D23-T26 PolarHBondContact N-OG1 3.49Å; D23-T26 WeakPolarHBondContact O-CB 3.28Å; D23-T26 PolarHBondContact O-N 3.17Å; D23-T26 PolarHBondContact O-OG1 3.41Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å | ||
| 24 | R | 77.7 | Confident | 90.6 | Very high | 201 Ų | 201 | 43.8 Ų | 43.8 | 76% | 0.758 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 126.5 | 176.7 | -74.3 | -174.2 | 172.9 | -165.5 | -4.8 | 110.4 | ||
| 25 | G | 88.1 | Confident | 89.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 16.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D23 Y125 D243 | D23-G25 PolarHBondContact O-N 2.99Å; G25-Y125 VanDerWaalsContact O-CE1 3.31Å; G25-Y125 WeakPolarHBondContact O-CE1 3.35Å; G25-Y125 PolarHBondContact O-OH 2.97Å; G25-D243 WeakPolarHBondContact CA-O 3.41Å; G25-D243 PolarHBondContact N-O 3.04Å |
| 26 | T | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -74.1 | 133 | 162.9 | -57.8 | 0 | 0 | 0 | 0 | 109.4 | Y18 L21 D23 I41 A42 F43 D243 | Y18-T26 HydrophobicContact CD2-CG2 3.75Å; Y18-T26 HydrophobicContact CE2-CG2 3.38Å; Y18-T26 PolarHBondContact OH-O 3.19Å; L21-T26 PolarHBondContact O-OG1 2.99Å; L21-T26 VanDerWaalsContact O-OG1 3.05Å; D23-T26 PolarHBondContact N-OG1 3.49Å; D23-T26 WeakPolarHBondContact O-CB 3.28Å; D23-T26 PolarHBondContact O-N 3.17Å; D23-T26 PolarHBondContact O-OG1 3.41Å; D23-T26 VanDerWaalsContact O-OG1 3.11Å; T26-I41 HydrophobicContact CG2-CG2 4.13Å; T26-A42 CarbonylContact C-O 3.54Å; T26-A42 WeakPolarHBondContact CA-O 3.46Å; T26-A42 WeakPolarHBondContact CG2-O 3.41Å; T26-F43 HydrophobicContact CG2-CB 4.08Å; T26-D243 WeakPolarHBondContact O-CB 3.41Å | ||
| 27 | S | 96.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.3 | 178 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | I41 A42 Y125 | S27-I41 WeakPolarHBondContact O-CA 3.43Å; S27-A42 PolarHBondContact N-O 3.22Å; S27-A42 PolarHBondContact O-N 3.03Å; S27-Y125 WeakPolarHBondContact CB-OH 3.02Å; S27-Y125 PolarHBondContact OG-OH 2.65Å |
| 28 | L | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.5 | -178.4 | 168.5 | 62.9 | 0 | 0 | 0 | 109.9 | T14 Y18 E30 A39 I40 I41 F224 Y227 Y240 Y241 | T14-L28 HydrophobicContact CG2-CD1 3.34Å; T14-L28 HydrophobicContact CG2-CD2 3.95Å; T14-L28 HydrophobicContact CG2-CG 4.28Å; Y18-L28 HydrophobicContact CD2-CB 3.75Å; Y18-L28 HydrophobicContact CD2-CD2 4.29Å; Y18-L28 HydrophobicContact CE2-CB 4.1Å; L28-E30 HydrophobicContact CD1-CG 4.04Å; L28-E30 HydrophobicContact CG-CG 4.47Å; L28-A39 HydrophobicContact CD1-CB 4.16Å; L28-I40 WeakPolarHBondContact CA-O 3.28Å; L28-I41 HydrophobicContact CD1-CD1 4.1Å; L28-I41 HydrophobicContact CD1-CG1 3.79Å; L28-F224 HydrophobicContact CD2-CE2 4.42Å; L28-Y227 HydrophobicContact CD2-CD1 4.09Å; L28-Y227 HydrophobicContact CD2-CE1 3.25Å; L28-Y227 HydrophobicContact CD2-CE2 4.39Å; L28-Y227 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y227 WeakPolarHBondContact CD2-OH 3.39Å; L28-Y227 HydrophobicContact CG-CE1 4.42Å; L28-Y240 CarbonylContact O-C 3.26Å; L28-Y240 VanDerWaalsContact O-CA 3.23Å; L28-Y240 WeakPolarHBondContact O-CA 3.35Å; L28-Y241 PolarHBondContact N-O 3.48Å; L28-Y241 PolarHBondContact O-N 3.36Å |
| 29 | F | 97.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 123.8 | 174.2 | 178.4 | -90.9 | 0 | 0 | 0 | 109.2 | R31 Y38 A39 I40 L93 Y238 L239 F393 | F29-R31 HydrophobicContact CE1-CB 4.25Å; F29-Y38 HydrophobicContact CD1-CE2 4.45Å; F29-Y38 HydrophobicContact CE1-CE2 4.48Å; F29-A39 CarbonylContact O-C 3.27Å; F29-A39 WeakPolarHBondContact O-CA 3.48Å; F29-I40 HydrophobicContact CD1-CD1 4.29Å; F29-I40 PolarHBondContact N-O 3.14Å; F29-I40 PolarHBondContact O-N 3.2Å; F29-L93 HydrophobicContact CB-CD1 3.64Å; F29-L93 HydrophobicContact CG-CD1 4.27Å; F29-Y238 HydrophobicContact CE1-CD1 4.5Å; F29-Y238 AromaticContact CE2-CD1 3.95Å; F29-Y238 HydrophobicContact CE2-CD1 3.95Å; F29-Y238 AromaticContact CZ-CD1 3.57Å; F29-Y238 HydrophobicContact CZ-CD1 3.57Å; F29-Y238 AromaticContact CZ-CE1 3.83Å; F29-Y238 HydrophobicContact CZ-CE1 3.83Å; F29-L239 CarbonylContact C-O 3.51Å; F29-F393 HydrophobicContact CD1-CD1 4.2Å; F29-F393 HydrophobicContact CD1-CE1 4.27Å; F29-F393 HydrophobicContact CE1-CD1 4.05Å; F29-F393 AromaticContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CZ-CD1 4.42Å; F29-F393 HydrophobicContact CZ-CE1 4.43Å |
| 30 | E | 96.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.7 | 174.5 | -44.2 | -173.6 | -149 | 0 | 0 | 110.5 | T14 L28 Y38 A39 K133 Y227 R231 Y238 L239 | T14-E30 HydrophobicContact CG2-CG 4Å; T14-E30 VanDerWaalsContact CG2-OE1 3.24Å; T14-E30 WeakPolarHBondContact CG2-OE1 3.48Å; L28-E30 HydrophobicContact CD1-CG 4.04Å; L28-E30 HydrophobicContact CG-CG 4.47Å; E30-Y38 WeakPolarHBondContact CA-O 3.29Å; E30-A39 HydrophobicContact CB-CB 4.39Å; E30-A39 HydrophobicContact CG-CB 3.8Å; E30-K133 WeakPolarHBondContact OE2-CE 3.42Å; E30-K133 IonicContact OE2-NZ 2.77Å; E30-K133 PolarHBondContact OE2-NZ 3.15Å; E30-Y227 VanDerWaalsContact CD-OH 3.23Å; E30-Y227 WeakPolarHBondContact CG-OH 3.19Å; E30-Y227 PolarHBondContact OE1-OH 3.28Å; E30-R231 VanDerWaalsContact OE1-CD 3.25Å; E30-R231 WeakPolarHBondContact OE1-CD 3.36Å; E30-R231 IonicContact OE1-CZ 3.26Å; E30-R231 IonicContact OE1-NE 2.87Å; E30-R231 PolarHBondContact OE1-NE 3.24Å; E30-R231 IonicContact OE2-CZ 2.87Å; E30-R231 IonicContact OE2-NE 3.98Å; E30-R231 PolarHBondContact OE2-NE 3.41Å; E30-R231 VanDerWaalsContact OE2-NE 3.14Å; E30-R231 IonicContact OE2-NH2 2.93Å; E30-R231 PolarHBondContact OE2-NH2 3.46Å; E30-Y238 WeakPolarHBondContact O-CA 3.47Å; E30-L239 HydrophobicContact CB-CB 4.05Å; E30-L239 HydrophobicContact CG-CB 4.26Å; E30-L239 PolarHBondContact N-O 2.75Å; E30-L239 PolarHBondContact O-N 3.44Å |
| 31 | R | 93.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.7 | 172.8 | -176.2 | 69.7 | -179.9 | 88.6 | 4.2 | 108.7 | F29 D37 Y38 A237 Y238 D401 | F29-R31 HydrophobicContact CE1-CB 4.25Å; R31-D37 VanDerWaalsContact O-CA 3.32Å; R31-D37 WeakPolarHBondContact O-CA 3.41Å; R31-Y38 HydrophobicContact CB-CD1 4.16Å; R31-Y38 HydrophobicContact CB-CD2 4.26Å; R31-Y38 HydrophobicContact CB-CE1 3.62Å; R31-Y38 HydrophobicContact CB-CE2 3.72Å; R31-Y38 HydrophobicContact CB-CG 4.46Å; R31-Y38 HydrophobicContact CG-CE1 3.94Å; R31-Y38 PolarHBondContact N-O 3.14Å; R31-Y38 PolarHBondContact O-N 3.37Å; R31-A237 PolarHBondContact NH1-O 2.95Å; R31-A237 VanDerWaalsContact NH1-O 3.08Å; R31-Y238 PolarHBondContact NE-OH 2.85Å; R31-D401 WeakPolarHBondContact CD-OD2 3.41Å; R31-D401 IonicContact NE-OD2 2.69Å; R31-D401 PolarHBondContact NE-OD2 3.35Å |
| 32 | R | 89.8 | Confident | 90.1 | Very high | 132 Ų | 132 | 52.2 Ų | 52.2 | 50% | 0.498 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 118 | 174.9 | -172.2 | 176.9 | -177 | -172.1 | -0.3 | 111.2 | Q36 A237 | R32-Q36 CarbonylContact C-O 3.51Å; R32-A237 PolarHBondContact N-O 3.43Å; R32-A237 WeakPolarHBondContact O-CA 3.36Å |
| 33 | S | 82.2 | Confident | 90.4 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | trans | -147.2 | 173 | 173.5 | 66.1 | 0 | 0 | 0 | 0 | 109 | K35 Q36 | S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 PolarHBondContact OG-N 3.15Å; S33-Q36 PolarHBondContact N-O 3.1Å; S33-Q36 PolarHBondContact OG-N 2.89Å; S33-Q36 PolarHBondContact OG-O 3.18Å | ||
| 34 | E | 72.6 | Confident | 90.8 | Very high | 187 Ų | 187 | 46.4 Ų | 46.4 | 87% | 0.874 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -59.7 | -32.5 | 173.7 | -64.3 | -171 | 158.6 | 0 | 0 | 112.7 | ||
| 35 | K | 75.3 | Confident | 91.7 | Very high | 193 Ų | 193 | 38.5 Ų | 38.5 | 84% | 0.839 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -92.4 | -30.6 | -175.7 | -65.4 | -177.9 | -178.7 | 176 | 0 | 113.9 | S33 | S33-K35 PolarHBondContact O-N 2.99Å; S33-K35 PolarHBondContact OG-N 3.15Å |
| 36 | Q | 81 | Confident | 92 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 29% | 0.285 | 19% | 0.194 | S | C | . | . | trans | -138 | 120.7 | -172.1 | -69.4 | 178.2 | -8 | 0 | 0 | 109.4 | R32 S33 Y38 | R32-Q36 CarbonylContact C-O 3.51Å; S33-Q36 PolarHBondContact N-O 3.1Å; S33-Q36 PolarHBondContact OG-N 2.89Å; S33-Q36 PolarHBondContact OG-O 3.18Å; Q36-Y38 HydrophobicContact CB-CD1 3.94Å; Q36-Y38 HydrophobicContact CB-CE1 3.9Å; Q36-Y38 HydrophobicContact CG-CE1 4.38Å | ||
| 37 | D | 90.7 | Very high | 92 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 20% | 0.198 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 97.7 | 171 | -169.9 | 16.4 | 0 | 0 | 0 | 109.3 | R31 K133 Q134 | R31-D37 VanDerWaalsContact O-CA 3.32Å; R31-D37 WeakPolarHBondContact O-CA 3.41Å; D37-K133 WeakPolarHBondContact O-CB 3.2Å; D37-K133 PolarHBondContact O-N 3.38Å; D37-K133 WeakPolarHBondContact OD1-CD 3.42Å; D37-K133 IonicContact OD1-NZ 2.65Å; D37-K133 PolarHBondContact OD1-NZ 3.01Å; D37-Q134 HydrophobicContact CB-CG 4.07Å |
| 38 | Y | 94.8 | Very high | 92 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 169 | -172.6 | 65.5 | -102.5 | 0 | 0 | 0 | 112.5 | F29 E30 R31 Q36 I40 I87 Y131 K133 | F29-Y38 HydrophobicContact CD1-CE2 4.45Å; F29-Y38 HydrophobicContact CE1-CE2 4.48Å; E30-Y38 WeakPolarHBondContact CA-O 3.29Å; R31-Y38 HydrophobicContact CB-CD1 4.16Å; R31-Y38 HydrophobicContact CB-CD2 4.26Å; R31-Y38 HydrophobicContact CB-CE1 3.62Å; R31-Y38 HydrophobicContact CB-CE2 3.72Å; R31-Y38 HydrophobicContact CB-CG 4.46Å; R31-Y38 HydrophobicContact CG-CE1 3.94Å; R31-Y38 PolarHBondContact N-O 3.14Å; R31-Y38 PolarHBondContact O-N 3.37Å; Q36-Y38 HydrophobicContact CB-CD1 3.94Å; Q36-Y38 HydrophobicContact CB-CE1 3.9Å; Q36-Y38 HydrophobicContact CG-CE1 4.38Å; Y38-I40 HydrophobicContact CD2-CD1 4.47Å; Y38-I40 HydrophobicContact CD2-CG1 4.06Å; Y38-I40 HydrophobicContact CE2-CD1 3.82Å; Y38-I40 HydrophobicContact CE2-CG1 3.91Å; Y38-I87 HydrophobicContact CD1-CD1 3.43Å; Y38-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y38-I87 HydrophobicContact CD2-CD1 3.15Å; Y38-I87 HydrophobicContact CE1-CD1 3.62Å; Y38-I87 HydrophobicContact CE2-CD1 3.39Å; Y38-I87 HydrophobicContact CG-CD1 3.18Å; Y38-Y131 CarbonylContact C-O 3.55Å; Y38-Y131 WeakPolarHBondContact CA-O 3.29Å; Y38-K133 PolarHBondContact O-NZ 3.31Å |
| 39 | A | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | T14 L28 F29 E30 I41 I130 Y131 | T14-A39 HydrophobicContact CG2-CB 3.53Å; L28-A39 HydrophobicContact CD1-CB 4.16Å; F29-A39 CarbonylContact O-C 3.27Å; F29-A39 WeakPolarHBondContact O-CA 3.48Å; E30-A39 HydrophobicContact CB-CB 4.39Å; E30-A39 HydrophobicContact CG-CB 3.8Å; A39-I41 HydrophobicContact CB-CD1 3.93Å; A39-I130 CarbonylContact O-C 3.58Å; A39-I130 WeakPolarHBondContact O-CA 3.32Å; A39-Y131 PolarHBondContact N-O 3.06Å; A39-Y131 PolarHBondContact O-N 2.98Å |
| 40 | I | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118 | 169.7 | -59.2 | 166.7 | 0 | 0 | 0 | 106.9 | L28 F29 Y38 I87 F88 I130 F393 | L28-I40 WeakPolarHBondContact CA-O 3.28Å; F29-I40 HydrophobicContact CD1-CD1 4.29Å; F29-I40 PolarHBondContact N-O 3.14Å; F29-I40 PolarHBondContact O-N 3.2Å; Y38-I40 HydrophobicContact CD2-CD1 4.47Å; Y38-I40 HydrophobicContact CD2-CG1 4.06Å; Y38-I40 HydrophobicContact CE2-CD1 3.82Å; Y38-I40 HydrophobicContact CE2-CG1 3.91Å; I40-I87 HydrophobicContact CG1-CD1 4.49Å; I40-F88 HydrophobicContact CD1-CB 3.73Å; I40-F88 HydrophobicContact CD1-CD2 4.5Å; I40-F88 HydrophobicContact CD1-CG 4.05Å; I40-F88 HydrophobicContact CG1-CB 4.3Å; I40-F88 HydrophobicContact CG2-CD1 3.86Å; I40-F88 HydrophobicContact CG2-CE1 4.26Å; I40-F88 HydrophobicContact CG2-CG 4.39Å; I40-I130 HydrophobicContact CG1-CG1 4.46Å; I40-F393 HydrophobicContact CD1-CD1 4.08Å; I40-F393 HydrophobicContact CD1-CE1 3.85Å; I40-F393 HydrophobicContact CD1-CZ 4.45Å |
| 41 | I | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 103.5 | 172.3 | -59 | 79.6 | 0 | 0 | 0 | 106.9 | T14 I17 Y18 L21 T26 S27 L28 A39 Y128 V129 | T14-I41 HydrophobicContact CG2-CD1 4.4Å; I17-I41 HydrophobicContact CB-CD1 4.35Å; I17-I41 HydrophobicContact CB-CG1 4.4Å; I17-I41 HydrophobicContact CG2-CB 4.04Å; I17-I41 HydrophobicContact CG2-CD1 3.84Å; I17-I41 HydrophobicContact CG2-CG1 3.78Å; I17-I41 HydrophobicContact CG2-CG2 4.26Å; Y18-I41 HydrophobicContact CD2-CG2 4.22Å; L21-I41 HydrophobicContact CD1-CG2 4.42Å; T26-I41 HydrophobicContact CG2-CG2 4.13Å; S27-I41 WeakPolarHBondContact O-CA 3.43Å; L28-I41 HydrophobicContact CD1-CD1 4.1Å; L28-I41 HydrophobicContact CD1-CG1 3.79Å; A39-I41 HydrophobicContact CB-CD1 3.93Å; I41-Y128 CarbonylContact O-C 3.52Å; I41-Y128 WeakPolarHBondContact O-CA 3.49Å; I41-Y128 WeakPolarHBondContact O-CB 3.32Å; I41-V129 HydrophobicContact CB-CB 4.43Å; I41-V129 PolarHBondContact N-O 3.32Å; I41-V129 PolarHBondContact O-N 2.98Å |
| 42 | A | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T26 S27 Y125 | T26-A42 CarbonylContact C-O 3.54Å; T26-A42 WeakPolarHBondContact CA-O 3.46Å; T26-A42 WeakPolarHBondContact CG2-O 3.41Å; S27-A42 PolarHBondContact N-O 3.22Å; S27-A42 PolarHBondContact O-N 3.03Å; A42-Y125 HydrophobicContact CB-CD1 3.66Å; A42-Y125 HydrophobicContact CB-CD2 3.58Å; A42-Y125 HydrophobicContact CB-CE1 3.91Å; A42-Y125 HydrophobicContact CB-CE2 3.82Å; A42-Y125 HydrophobicContact CB-CG 3.48Å; A42-Y125 VanDerWaalsContact CB-CG 3.48Å |
| 43 | F | 95.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.4 | -171.7 | 54.4 | -86.6 | 0 | 0 | 0 | 110.4 | L21 T26 Y125 S127 V129 L140 L161 | L21-F43 HydrophobicContact CB-CD1 4.31Å; L21-F43 HydrophobicContact CB-CG 4.4Å; L21-F43 HydrophobicContact CD1-CD1 3.69Å; L21-F43 HydrophobicContact CD1-CE1 3.52Å; L21-F43 HydrophobicContact CD1-CG 4.45Å; L21-F43 HydrophobicContact CD1-CZ 4.14Å; T26-F43 HydrophobicContact CG2-CB 4.08Å; F43-Y125 WeakPolarHBondContact O-CD1 3.47Å; F43-S127 PolarHBondContact N-O 3.27Å; F43-S127 VanDerWaalsContact N-O 3.11Å; F43-V129 HydrophobicContact CE1-CG2 4.14Å; F43-L140 HydrophobicContact CE1-CD1 4.43Å; F43-L140 HydrophobicContact CZ-CD1 3.89Å; F43-L161 HydrophobicContact CD2-CD2 4.29Å; F43-L161 HydrophobicContact CE2-CD1 3.55Å; F43-L161 HydrophobicContact CE2-CD2 3.62Å; F43-L161 HydrophobicContact CE2-CG 4.23Å; F43-L161 HydrophobicContact CZ-CD1 3.93Å; F43-L161 HydrophobicContact CZ-CD2 4.15Å |
| 44 | D | 94 | Very high | 92.8 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 49.4 | 61.2 | -175.3 | -60.5 | -16 | 0 | 0 | 0 | 112.6 | V46 R157 | D44-V46 PolarHBondContact O-N 2.77Å; D44-R157 VanDerWaalsContact CB-NH2 3.32Å; D44-R157 IonicContact OD2-CZ 3.68Å; D44-R157 IonicContact OD2-NH2 3.63Å; D44-R157 PolarHBondContact OD2-NH2 3.29Å |
| 45 | P | 95.4 | Very high | 94 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | trans | -62.5 | 139.3 | -176.3 | 27.7 | -34.6 | 0 | 0 | 0 | 112 | Y123 L124 Y125 | P45-Y123 HydrophobicContact CB-CD1 3.4Å; P45-Y123 VanDerWaalsContact CB-CD1 3.4Å; P45-Y123 HydrophobicContact CB-CE1 4.1Å; P45-Y123 HydrophobicContact CB-CG 3.76Å; P45-Y123 HydrophobicContact CG-CD1 3.54Å; P45-Y123 HydrophobicContact CG-CE1 3.71Å; P45-Y123 HydrophobicContact CG-CG 4.04Å; P45-L124 CarbonylContact C-O 3.47Å; P45-L124 WeakPolarHBondContact CA-O 3.36Å; P45-Y125 HydrophobicContact CB-CD1 3.96Å; P45-Y125 HydrophobicContact CB-CE1 3.63Å; P45-Y125 HydrophobicContact CG-CE1 4.18Å | ||
| 46 | V | 95.1 | Very high | 95 | Very high | 50 Ų | 50 | 31 Ų | 31 | 30% | 0.303 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -76.9 | -35.7 | 178 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | D44 L124 E126 | D44-V46 PolarHBondContact O-N 2.77Å; V46-L124 PolarHBondContact N-O 3.27Å; V46-E126 HydrophobicContact CG2-CG 3.7Å |
| 47 | K | 95.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 31 Ų | 31 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152 | 178.5 | -66 | -169.3 | 171.7 | -160.4 | 0 | 112 | L49 Y75 Y123 L124 | K47-L49 HydrophobicContact CB-CD2 4.1Å; K47-L49 HydrophobicContact CB-CG 4.39Å; K47-L49 HydrophobicContact CD-CD2 4.22Å; K47-Y75 HydrophobicContact CD-CD1 4.28Å; K47-Y123 WeakPolarHBondContact O-CA 3.49Å; K47-Y123 WeakPolarHBondContact O-CD1 3.37Å; K47-L124 HydrophobicContact CB-CB 4.05Å; K47-L124 HydrophobicContact CB-CD2 4.34Å; K47-L124 HydrophobicContact CD-CD2 4.32Å; K47-L124 HydrophobicContact CG-CD2 4.37Å; K47-L124 PolarHBondContact O-N 3.22Å |
| 48 | N | 95.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 30 Ų | 30 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106 | 167.9 | -174.5 | 7.9 | 0 | 0 | 0 | 108.1 | G59 Q121 Y123 | N48-G59 PolarHBondContact O-N 3.13Å; N48-Q121 PolarHBondContact OD1-NE2 3.2Å; N48-Q121 VanDerWaalsContact OD1-NE2 3.14Å; N48-Y123 HydrophobicContact CB-CD1 3.94Å; N48-Y123 HydrophobicContact CB-CE1 3.64Å |
| 49 | L | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119.2 | -176.1 | -56.2 | 176.2 | 0 | 0 | 0 | 108.5 | K47 F56 D58 L72 Y75 Q121 F122 | K47-L49 HydrophobicContact CB-CD2 4.1Å; K47-L49 HydrophobicContact CB-CG 4.39Å; K47-L49 HydrophobicContact CD-CD2 4.22Å; L49-F56 HydrophobicContact CB-CE1 4.33Å; L49-F56 HydrophobicContact CB-CZ 3.98Å; L49-F56 HydrophobicContact CD2-CE1 4.2Å; L49-F56 HydrophobicContact CD2-CZ 4.5Å; L49-D58 HydrophobicContact CD2-CB 4.4Å; L49-L72 HydrophobicContact CB-CD1 4.34Å; L49-L72 HydrophobicContact CD1-CD1 3.54Å; L49-Y75 HydrophobicContact CD1-CG 4.3Å; L49-Y75 HydrophobicContact CD2-CD1 4.36Å; L49-Y75 HydrophobicContact CD2-CD2 4.27Å; L49-Y75 HydrophobicContact CD2-CG 4.1Å; L49-Q121 WeakPolarHBondContact O-CA 3.25Å; L49-F122 PolarHBondContact N-O 2.92Å; L49-F122 PolarHBondContact O-N 2.78Å |
| 50 | I | 97.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.4 | -171.1 | -58.1 | 174.2 | 0 | 0 | 0 | 109 | F56 H57 P118 L120 Q121 | I50-F56 CarbonylContact O-C 3.58Å; I50-F56 WeakPolarHBondContact O-CA 3.28Å; I50-H57 HydrophobicContact CB-CB 4.29Å; I50-H57 PolarHBondContact N-O 3.16Å; I50-H57 PolarHBondContact O-N 2.72Å; I50-P118 HydrophobicContact CG2-CB 3.61Å; I50-P118 HydrophobicContact CG2-CG 3.58Å; I50-L120 CarbonylContact C-O 3.33Å; I50-L120 WeakPolarHBondContact CA-O 3.28Å; I50-Q121 HydrophobicContact CG1-CG 4.04Å |
| 51 | F | 97.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.022 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128 | 164.4 | 176.8 | -103.2 | 0 | 0 | 0 | 110 | A55 F56 C65 P68 D119 L120 | F51-A55 WeakPolarHBondContact CA-O 3.48Å; F51-A55 VanDerWaalsContact CD2-O 3.28Å; F51-A55 WeakPolarHBondContact CD2-O 3.43Å; F51-F56 HydrophobicContact CB-CD2 4.04Å; F51-F56 HydrophobicContact CD2-CB 4.3Å; F51-F56 HydrophobicContact CD2-CD2 4.39Å; F51-C65 HydrophobicContact CD2-CB 4.36Å; F51-C65 HydrophobicContact CE2-CB 4.13Å; F51-C65 WeakPolarHBondContact CE2-O 3.21Å; F51-P68 HydrophobicContact CB-CB 3.86Å; F51-P68 HydrophobicContact CD1-CB 3.75Å; F51-P68 HydrophobicContact CD1-CG 3.77Å; F51-P68 HydrophobicContact CD2-CB 3.63Å; F51-P68 HydrophobicContact CD2-CG 4.24Å; F51-P68 HydrophobicContact CE1-CB 4.15Å; F51-P68 HydrophobicContact CE1-CG 3.75Å; F51-P68 HydrophobicContact CE2-CB 4.02Å; F51-P68 HydrophobicContact CE2-CG 4.2Å; F51-P68 HydrophobicContact CG-CB 3.47Å; F51-P68 VanDerWaalsContact CG-CB 3.47Å; F51-P68 HydrophobicContact CG-CG 4.02Å; F51-P68 HydrophobicContact CZ-CB 4.25Å; F51-P68 HydrophobicContact CZ-CG 3.95Å; F51-D119 HydrophobicContact CD1-CB 3.94Å; F51-D119 HydrophobicContact CE1-CB 4.41Å; F51-D119 PolarHBondContact O-N 3.27Å; F51-L120 HydrophobicContact CB-CB 4.12Å; F51-L120 HydrophobicContact CB-CD2 4.42Å; F51-L120 PolarHBondContact N-O 2.88Å; F51-L120 PolarHBondContact O-N 3.12Å; F51-L120 VanDerWaalsContact O-N 3.16Å |
| 52 | Q | 95.5 | Very high | 94.8 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 139.9 | 179.4 | -164.7 | 177.4 | 27.7 | 0 | 0 | 109.7 | G54 A55 G116 V117 P118 | Q52-G54 PolarHBondContact O-N 3.43Å; Q52-A55 PolarHBondContact N-O 3Å; Q52-A55 PolarHBondContact O-N 3.06Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; Q52-G116 PolarHBondContact NE2-O 2.55Å; Q52-V117 PolarHBondContact NE2-O 3.41Å; Q52-V117 VanDerWaalsContact NE2-O 3.15Å; Q52-P118 HydrophobicContact CB-CB 4.43Å |
| 53 | N | 92.3 | Very high | 94.8 | Very high | 135 Ų | 135 | 48.9 Ų | 48.9 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 36.8 | 175.1 | -58.5 | -40.5 | 0 | 0 | 0 | 114 | A55 | N53-A55 VanDerWaalsContact C-N 3.31Å; N53-A55 PolarHBondContact O-N 3.44Å |
| 54 | G | 94 | Very high | 94.8 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 7.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q52 C65 | Q52-G54 PolarHBondContact O-N 3.43Å; G54-C65 PolarHBondContact O-N 2.95Å |
| 55 | A | 97.4 | Very high | 95 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F51 Q52 N53 S62 Y63 | F51-A55 WeakPolarHBondContact CA-O 3.48Å; F51-A55 VanDerWaalsContact CD2-O 3.28Å; F51-A55 WeakPolarHBondContact CD2-O 3.43Å; Q52-A55 PolarHBondContact N-O 3Å; Q52-A55 PolarHBondContact O-N 3.06Å; Q52-A55 VanDerWaalsContact O-N 3.09Å; N53-A55 VanDerWaalsContact C-N 3.31Å; N53-A55 PolarHBondContact O-N 3.44Å; A55-S62 WeakPolarHBondContact CB-OG 3.45Å; A55-Y63 CarbonylContact C-O 3.51Å; A55-Y63 VanDerWaalsContact CA-O 3.27Å; A55-Y63 WeakPolarHBondContact CA-O 3.39Å |
| 56 | F | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.5 | 172.2 | -162.2 | -86 | 0 | 0 | 0 | 109.3 | L49 I50 F51 S62 Y63 C65 P68 E71 Y75 L120 | L49-F56 HydrophobicContact CB-CE1 4.33Å; L49-F56 HydrophobicContact CB-CZ 3.98Å; L49-F56 HydrophobicContact CD2-CE1 4.2Å; L49-F56 HydrophobicContact CD2-CZ 4.5Å; I50-F56 CarbonylContact O-C 3.58Å; I50-F56 WeakPolarHBondContact O-CA 3.28Å; F51-F56 HydrophobicContact CB-CD2 4.04Å; F51-F56 HydrophobicContact CD2-CB 4.3Å; F51-F56 HydrophobicContact CD2-CD2 4.39Å; F56-S62 CarbonylContact O-C 3.57Å; F56-S62 VanDerWaalsContact O-CA 3.27Å; F56-S62 WeakPolarHBondContact O-CA 3.41Å; F56-Y63 HydrophobicContact CB-CD2 4.48Å; F56-Y63 HydrophobicContact CB-CE2 3.97Å; F56-Y63 HydrophobicContact CD1-CE1 4.48Å; F56-Y63 HydrophobicContact CD1-CE2 4.47Å; F56-Y63 AromaticContact CD1-CZ 3.89Å; F56-Y63 WeakPolarHBondContact CD1-OH 3.3Å; F56-Y63 PolarHBondContact N-O 3.39Å; F56-Y63 PolarHBondContact O-N 3.49Å; F56-C65 HydrophobicContact CB-CB 3.6Å; F56-P68 HydrophobicContact CD2-CB 4.28Å; F56-E71 HydrophobicContact CB-CG 4.37Å; F56-E71 HydrophobicContact CD1-CG 3.78Å; F56-E71 HydrophobicContact CD2-CB 3.92Å; F56-E71 HydrophobicContact CD2-CG 3.95Å; F56-E71 HydrophobicContact CE1-CG 3.94Å; F56-E71 HydrophobicContact CE2-CB 3.94Å; F56-E71 HydrophobicContact CE2-CG 4.11Å; F56-E71 HydrophobicContact CG-CB 4.27Å; F56-E71 HydrophobicContact CG-CG 3.78Å; F56-E71 HydrophobicContact CZ-CB 4.29Å; F56-E71 HydrophobicContact CZ-CG 4.1Å; F56-Y75 HydrophobicContact CD1-CE2 4.44Å; F56-Y75 HydrophobicContact CE1-CD2 4.06Å; F56-Y75 AromaticContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CZ-CD2 4.4Å; F56-L120 HydrophobicContact CE2-CD2 4.43Å |
| 57 | H | 96.7 | Very high | 95 | Very high | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.7 | 178.8 | 176.9 | -88.9 | 0 | 0 | 0 | 109.7 | I50 G59 V61 | I50-H57 HydrophobicContact CB-CB 4.29Å; I50-H57 PolarHBondContact N-O 3.16Å; I50-H57 PolarHBondContact O-N 2.72Å; H57-G59 VanDerWaalsContact CE1-C 3.48Å; H57-G59 VanDerWaalsContact CE1-CA 3.42Å; H57-G59 WeakPolarHBondContact CE1-CA 3.4Å; H57-G59 PolarHBondContact CE1-N 3.01Å; H57-G59 PolarHBondContact ND1-N 2.72Å; H57-V61 VanDerWaalsContact CA-O 3.31Å; H57-V61 WeakPolarHBondContact CA-O 3.37Å; H57-V61 PolarHBondContact CD2-O 3.25Å |
| 58 | D | 92.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 10% | 0.096 | 32% | 0.318 | C | S | . | . | trans | -94.9 | 7.3 | -169.9 | 77.7 | -17.7 | 0 | 0 | 0 | 114.9 | L49 H60 V61 Y63 Y75 | L49-D58 HydrophobicContact CD2-CB 4.4Å; D58-H60 PolarHBondContact OD1-N 3.47Å; D58-V61 PolarHBondContact N-O 3.15Å; D58-V61 WeakPolarHBondContact OD1-CG2 3.49Å; D58-V61 PolarHBondContact OD1-N 2.8Å; D58-Y63 HydrophobicContact CB-CE1 4.47Å; D58-Y75 HydrophobicContact CB-CE1 3.98Å; D58-Y75 HydrophobicContact CB-CE2 4.26Å; D58-Y75 WeakPolarHBondContact CB-OH 3.48Å; D58-Y75 PolarHBondContact OD2-OH 2.92Å; D58-Y75 VanDerWaalsContact OD2-OH 3.11Å | ||
| 59 | G | 86.5 | Confident | 95.3 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 104.3 | -16.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N48 H57 | N48-G59 PolarHBondContact O-N 3.13Å; H57-G59 VanDerWaalsContact CE1-C 3.48Å; H57-G59 VanDerWaalsContact CE1-CA 3.42Å; H57-G59 WeakPolarHBondContact CE1-CA 3.4Å; H57-G59 PolarHBondContact CE1-N 3.01Å; H57-G59 PolarHBondContact ND1-N 2.72Å |
| 60 | H | 88.4 | Confident | 95.3 | Very high | 158 Ų | 158 | 56.8 Ų | 56.8 | 73% | 0.731 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -130 | -40.9 | -179.9 | -60.4 | -50.7 | 0 | 0 | 0 | 113.6 | D58 | D58-H60 PolarHBondContact OD1-N 3.47Š|
| 61 | V | 92.9 | Very high | 95.3 | Very high | 82 Ų | 82 | 57.5 Ų | 57.5 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | trans | -130.5 | 146 | -176 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | H57 D58 Y63 | H57-V61 VanDerWaalsContact CA-O 3.31Å; H57-V61 WeakPolarHBondContact CA-O 3.37Å; H57-V61 PolarHBondContact CD2-O 3.25Å; D58-V61 PolarHBondContact N-O 3.15Å; D58-V61 WeakPolarHBondContact OD1-CG2 3.49Å; D58-V61 PolarHBondContact OD1-N 2.8Å; V61-Y63 HydrophobicContact CG2-CD1 4.21Å; V61-Y63 HydrophobicContact CG2-CE1 4.42Å | ||
| 62 | S | 95.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.3 | 170 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | A55 F56 | A55-S62 WeakPolarHBondContact CB-OG 3.45Å; F56-S62 CarbonylContact O-C 3.57Å; F56-S62 VanDerWaalsContact O-CA 3.27Å; F56-S62 WeakPolarHBondContact O-CA 3.41Å |
| 63 | Y | 97.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150 | 179.1 | 52.1 | -90.4 | 0 | 0 | 0 | 111 | A55 F56 D58 V61 C65 E71 Y75 | A55-Y63 CarbonylContact C-O 3.51Å; A55-Y63 VanDerWaalsContact CA-O 3.27Å; A55-Y63 WeakPolarHBondContact CA-O 3.39Å; F56-Y63 HydrophobicContact CB-CD2 4.48Å; F56-Y63 HydrophobicContact CB-CE2 3.97Å; F56-Y63 HydrophobicContact CD1-CE1 4.48Å; F56-Y63 HydrophobicContact CD1-CE2 4.47Å; F56-Y63 AromaticContact CD1-CZ 3.89Å; F56-Y63 WeakPolarHBondContact CD1-OH 3.3Å; F56-Y63 PolarHBondContact N-O 3.39Å; F56-Y63 PolarHBondContact O-N 3.49Å; D58-Y63 HydrophobicContact CB-CE1 4.47Å; V61-Y63 HydrophobicContact CG2-CD1 4.21Å; V61-Y63 HydrophobicContact CG2-CE1 4.42Å; Y63-C65 PolarHBondContact O-N 3.28Å; Y63-E71 HydrophobicContact CE2-CG 4.1Å; Y63-E71 WeakPolarHBondContact OH-CG 3.47Å; Y63-E71 PolarHBondContact OH-OE1 3.3Å; Y63-Y75 WeakPolarHBondContact OH-CE2 3.46Å; Y63-Y75 PolarHBondContact OH-OH 2.92Å; Y63-Y75 VanDerWaalsContact OH-OH 3.1Å |
| 64 | P | 96.9 | Very high | 95.5 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 79% | 0.792 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 136.5 | 175.3 | -24.1 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 65 | C | 96.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 10% | 0.101 | 30% | 0.297 | C | S | . | . | trans | -142.5 | 127.3 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | F51 G54 F56 Y63 D67 | F51-C65 HydrophobicContact CD2-CB 4.36Å; F51-C65 HydrophobicContact CE2-CB 4.13Å; F51-C65 WeakPolarHBondContact CE2-O 3.21Å; G54-C65 PolarHBondContact O-N 2.95Å; F56-C65 HydrophobicContact CB-CB 3.6Å; Y63-C65 PolarHBondContact O-N 3.28Å; C65-D67 VanDerWaalsContact SG-C 3.58Å | ||
| 66 | E | 94.8 | Very high | 95.6 | Very high | 181 Ų | 181 | 53.9 Ų | 53.9 | 85% | 0.846 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -91.1 | -28.7 | 177.8 | -64.9 | -176.1 | 169.6 | 0 | 0 | 112.4 | P68 | E66-P68 WeakPolarHBondContact O-CD 3.46Š|
| 67 | D | 97.2 | Very high | 95.5 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | trans | -124.5 | 77 | -177 | -166.5 | -20.9 | 0 | 0 | 0 | 110.7 | C65 L69 K70 E71 Y104 K356 | C65-D67 VanDerWaalsContact SG-C 3.58Å; D67-L69 PolarHBondContact O-N 2.67Å; D67-K70 HydrophobicContact CB-CB 4.21Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 PolarHBondContact OD1-N 2.82Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 VanDerWaalsContact OD2-CG 3.24Å; D67-K70 WeakPolarHBondContact OD2-CG 3.08Å; D67-E71 PolarHBondContact O-N 2.86Å; D67-Y104 HydrophobicContact CB-CE1 4.47Å; D67-Y104 PolarHBondContact OD1-OH 2.85Å; D67-K356 WeakPolarHBondContact OD1-CE 3.19Å; D67-K356 IonicContact OD1-NZ 2.74Å; D67-K356 PolarHBondContact OD1-NZ 2.65Å; D67-K356 IonicContact OD2-NZ 3.33Å; D67-K356 PolarHBondContact OD2-NZ 2.79Å | ||
| 68 | P | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -23.4 | -175.2 | 25.8 | -36.6 | 0 | 0 | 0 | 113.7 | F51 F56 E66 L72 V100 Y104 | F51-P68 HydrophobicContact CB-CB 3.86Å; F51-P68 HydrophobicContact CD1-CB 3.75Å; F51-P68 HydrophobicContact CD1-CG 3.77Å; F51-P68 HydrophobicContact CD2-CB 3.63Å; F51-P68 HydrophobicContact CD2-CG 4.24Å; F51-P68 HydrophobicContact CE1-CB 4.15Å; F51-P68 HydrophobicContact CE1-CG 3.75Å; F51-P68 HydrophobicContact CE2-CB 4.02Å; F51-P68 HydrophobicContact CE2-CG 4.2Å; F51-P68 HydrophobicContact CG-CB 3.47Å; F51-P68 VanDerWaalsContact CG-CB 3.47Å; F51-P68 HydrophobicContact CG-CG 4.02Å; F51-P68 HydrophobicContact CZ-CB 4.25Å; F51-P68 HydrophobicContact CZ-CG 3.95Å; F56-P68 HydrophobicContact CD2-CB 4.28Å; E66-P68 WeakPolarHBondContact O-CD 3.46Å; P68-L72 WeakPolarHBondContact O-CB 3.22Å; P68-L72 PolarHBondContact O-N 3.36Å; P68-V100 HydrophobicContact CG-CG1 4.17Å; P68-Y104 WeakPolarHBondContact CD-OH 3.36Å |
| 69 | L | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.5 | -41.2 | 177.1 | -66.8 | 178.7 | 0 | 0 | 0 | 111.4 | D67 E71 L72 E73 V96 V100 Y104 L120 M352 L355 K356 | D67-L69 PolarHBondContact O-N 2.67Å; L69-E71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-E73 PolarHBondContact O-N 3.11Å; L69-V96 HydrophobicContact CD2-CG1 4.12Å; L69-V96 HydrophobicContact CD2-CG2 3.87Å; L69-V100 HydrophobicContact CG-CG1 4.49Å; L69-Y104 WeakPolarHBondContact CB-OH 3.4Å; L69-Y104 HydrophobicContact CD1-CE2 3.9Å; L69-Y104 HydrophobicContact CG-CE2 4.43Å; L69-Y104 VanDerWaalsContact CG-OH 3.29Å; L69-Y104 WeakPolarHBondContact CG-OH 3.4Å; L69-Y104 PolarHBondContact N-OH 3.09Å; L69-L120 HydrophobicContact CD2-CD1 3.75Å; L69-M352 HydrophobicContact CB-CB 4.23Å; L69-M352 HydrophobicContact CB-SD 4.43Å; L69-M352 HydrophobicContact CD2-SD 4.09Å; L69-M352 WeakPolarHBondContact O-CG 3.29Å; L69-L355 HydrophobicContact CD2-CD2 4.16Å; L69-K356 HydrophobicContact CD1-CB 3.83Å; L69-K356 HydrophobicContact CD1-CG 4.4Å |
| 70 | K | 97 | Very high | 95.1 | Very high | 46 Ų | 46 | 64 Ų | 64 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.3 | -33.2 | 172.2 | -73.6 | -60.6 | -175.5 | -175 | 0 | 112.7 | D67 E73 N74 T350 D353 | D67-K70 HydrophobicContact CB-CB 4.21Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-K70 PolarHBondContact OD1-N 2.82Å; D67-K70 VanDerWaalsContact OD1-N 3.1Å; D67-K70 VanDerWaalsContact OD2-CG 3.24Å; D67-K70 WeakPolarHBondContact OD2-CG 3.08Å; K70-E73 VanDerWaalsContact CD-OE2 3.25Å; K70-E73 WeakPolarHBondContact CD-OE2 3.42Å; K70-E73 IonicContact NZ-OE1 3.77Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 2.61Å; K70-E73 PolarHBondContact NZ-OE2 2.64Å; K70-E73 WeakPolarHBondContact O-CB 2.91Å; K70-E73 PolarHBondContact O-N 2.94Å; K70-N74 VanDerWaalsContact O-CG 3.3Å; K70-N74 PolarHBondContact O-N 3.2Å; K70-N74 PolarHBondContact O-ND2 2.99Å; K70-T350 PolarHBondContact NZ-OG1 3.33Å; K70-D353 WeakPolarHBondContact CE-OD1 3.37Å; K70-D353 WeakPolarHBondContact CE-OD2 3.28Å; K70-D353 VanDerWaalsContact NZ-CG 3.29Å; K70-D353 IonicContact NZ-OD1 2.74Å; K70-D353 PolarHBondContact NZ-OD1 3.46Å; K70-D353 IonicContact NZ-OD2 3.41Å; K70-D353 PolarHBondContact NZ-OD2 3.16Å |
| 71 | E | 97.5 | Very high | 94.9 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 173.2 | -160.6 | 61.2 | -128.7 | 0 | 0 | 111.2 | F56 Y63 D67 L69 E73 N74 Y75 | F56-E71 HydrophobicContact CB-CG 4.37Å; F56-E71 HydrophobicContact CD1-CG 3.78Å; F56-E71 HydrophobicContact CD2-CB 3.92Å; F56-E71 HydrophobicContact CD2-CG 3.95Å; F56-E71 HydrophobicContact CE1-CG 3.94Å; F56-E71 HydrophobicContact CE2-CB 3.94Å; F56-E71 HydrophobicContact CE2-CG 4.11Å; F56-E71 HydrophobicContact CG-CB 4.27Å; F56-E71 HydrophobicContact CG-CG 3.78Å; F56-E71 HydrophobicContact CZ-CB 4.29Å; F56-E71 HydrophobicContact CZ-CG 4.1Å; Y63-E71 HydrophobicContact CE2-CG 4.1Å; Y63-E71 WeakPolarHBondContact OH-CG 3.47Å; Y63-E71 PolarHBondContact OH-OE1 3.3Å; D67-E71 PolarHBondContact O-N 2.86Å; L69-E71 VanDerWaalsContact C-N 3.34Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.85Å; E71-N74 WeakPolarHBondContact O-CB 3.44Å; E71-N74 PolarHBondContact O-N 2.96Å; E71-Y75 HydrophobicContact CG-CE2 4.24Å; E71-Y75 VanDerWaalsContact O-CD2 3.29Å; E71-Y75 WeakPolarHBondContact O-CD2 3.18Å |
| 72 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 173 | 177.1 | 64.7 | 0 | 0 | 0 | 111.8 | L49 P68 L69 N74 Y75 V76 A92 L120 F122 M352 | L49-L72 HydrophobicContact CB-CD1 4.34Å; L49-L72 HydrophobicContact CD1-CD1 3.54Å; P68-L72 WeakPolarHBondContact O-CB 3.22Å; P68-L72 PolarHBondContact O-N 3.36Å; L69-L72 PolarHBondContact O-N 2.91Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.18Å; L72-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 VanDerWaalsContact O-N 3.14Å; L72-V76 HydrophobicContact CD1-CG2 3.96Å; L72-V76 HydrophobicContact CG-CG2 4.26Å; L72-V76 VanDerWaalsContact O-CG2 3.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; L72-V76 PolarHBondContact O-N 2.82Å; L72-A92 HydrophobicContact CD1-CB 4.1Å; L72-L120 HydrophobicContact CD2-CD1 4.29Å; L72-F122 HydrophobicContact CD1-CB 3.99Å; L72-F122 HydrophobicContact CD1-CD2 4.29Å; L72-F122 HydrophobicContact CD1-CG 4.15Å; L72-F122 HydrophobicContact CD2-CD1 4.41Å; L72-F122 HydrophobicContact CD2-CD2 3.67Å; L72-F122 HydrophobicContact CD2-CE1 4.46Å; L72-F122 HydrophobicContact CD2-CE2 3.73Å; L72-F122 HydrophobicContact CD2-CG 4.03Å; L72-F122 HydrophobicContact CD2-CZ 4.13Å; L72-M352 HydrophobicContact CD2-SD 4.13Å |
| 73 | E | 96.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 11% | 0.112 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.5 | -45.1 | 177.7 | -176.4 | -175.6 | 130.8 | 0 | 0 | 112.5 | L69 K70 E71 Y75 V76 L77 T350 M352 | L69-E73 PolarHBondContact O-N 3.11Å; K70-E73 VanDerWaalsContact CD-OE2 3.25Å; K70-E73 WeakPolarHBondContact CD-OE2 3.42Å; K70-E73 IonicContact NZ-OE1 3.77Å; K70-E73 PolarHBondContact NZ-OE1 2.99Å; K70-E73 IonicContact NZ-OE2 2.61Å; K70-E73 PolarHBondContact NZ-OE2 2.64Å; K70-E73 WeakPolarHBondContact O-CB 2.91Å; K70-E73 PolarHBondContact O-N 2.94Å; E71-E73 VanDerWaalsContact C-N 3.34Å; E71-E73 PolarHBondContact O-N 2.85Å; E73-Y75 PolarHBondContact O-N 3.19Å; E73-V76 PolarHBondContact O-N 2.85Å; E73-L77 HydrophobicContact CG-CD1 3.39Å; E73-L77 HydrophobicContact CG-CG 3.71Å; E73-L77 PolarHBondContact O-N 3.24Å; E73-T350 VanDerWaalsContact OE1-CG2 3.24Å; E73-T350 WeakPolarHBondContact OE1-CG2 3.36Å; E73-T350 WeakPolarHBondContact OE2-CB 3.41Å; E73-T350 PolarHBondContact OE2-OG1 3.11Å; E73-M352 HydrophobicContact CB-CG 4.08Å |
| 74 | N | 96 | Very high | 92.8 | Very high | 110 Ų | 110 | 71.9 Ų | 71.9 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.2 | -29.7 | -178.8 | -68.3 | -28.8 | 0 | 0 | 0 | 113.6 | K70 E71 L72 | K70-N74 VanDerWaalsContact O-CG 3.3Å; K70-N74 PolarHBondContact O-N 3.2Å; K70-N74 PolarHBondContact O-ND2 2.99Å; E71-N74 WeakPolarHBondContact O-CB 3.44Å; E71-N74 PolarHBondContact O-N 2.96Å; L72-N74 VanDerWaalsContact C-N 3.3Å; L72-N74 PolarHBondContact O-N 3.18Å |
| 75 | Y | 96 | Very high | 92 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -85.6 | -22.4 | 177 | -74.4 | -81.6 | 0 | 0 | 0 | 113.2 | K47 L49 F56 D58 Y63 E71 L72 E73 | K47-Y75 HydrophobicContact CD-CD1 4.28Å; L49-Y75 HydrophobicContact CD1-CG 4.3Å; L49-Y75 HydrophobicContact CD2-CD1 4.36Å; L49-Y75 HydrophobicContact CD2-CD2 4.27Å; L49-Y75 HydrophobicContact CD2-CG 4.1Å; F56-Y75 HydrophobicContact CD1-CE2 4.44Å; F56-Y75 HydrophobicContact CE1-CD2 4.06Å; F56-Y75 AromaticContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CE1-CE2 3.78Å; F56-Y75 HydrophobicContact CZ-CD2 4.4Å; D58-Y75 HydrophobicContact CB-CE1 3.98Å; D58-Y75 HydrophobicContact CB-CE2 4.26Å; D58-Y75 WeakPolarHBondContact CB-OH 3.48Å; D58-Y75 PolarHBondContact OD2-OH 2.92Å; D58-Y75 VanDerWaalsContact OD2-OH 3.11Å; Y63-Y75 WeakPolarHBondContact OH-CE2 3.46Å; Y63-Y75 PolarHBondContact OH-OH 2.92Å; Y63-Y75 VanDerWaalsContact OH-OH 3.1Å; E71-Y75 HydrophobicContact CG-CE2 4.24Å; E71-Y75 VanDerWaalsContact O-CD2 3.29Å; E71-Y75 WeakPolarHBondContact O-CD2 3.18Å; L72-Y75 PolarHBondContact O-N 3.18Å; L72-Y75 VanDerWaalsContact O-N 3.14Å; E73-Y75 PolarHBondContact O-N 3.19Å |
| 76 | V | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -98.5 | -44 | -169.3 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | L72 E73 V78 A92 L124 Y146 L394 Q396 | L72-V76 HydrophobicContact CD1-CG2 3.96Å; L72-V76 HydrophobicContact CG-CG2 4.26Å; L72-V76 VanDerWaalsContact O-CG2 3.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.35Å; L72-V76 PolarHBondContact O-N 2.82Å; E73-V76 PolarHBondContact O-N 2.85Å; V76-V78 PolarHBondContact O-N 3.46Å; V76-A92 HydrophobicContact CG1-CB 4.3Å; V76-A92 HydrophobicContact CG2-CB 3.39Å; V76-L124 HydrophobicContact CB-CD1 4.42Å; V76-L124 HydrophobicContact CG2-CD1 3.85Å; V76-Y146 PolarHBondContact O-OH 3.44Å; V76-L394 HydrophobicContact CB-CD2 3.92Å; V76-L394 HydrophobicContact CB-CG 4.37Å; V76-L394 HydrophobicContact CG1-CB 4.28Å; V76-L394 HydrophobicContact CG1-CD2 3.85Å; V76-L394 HydrophobicContact CG1-CG 3.73Å; V76-L394 WeakPolarHBondContact CG1-O 2.97Å; V76-L394 HydrophobicContact CG2-CD2 4.26Å; V76-Q396 WeakPolarHBondContact O-CA 3.41Å; V76-Q396 WeakPolarHBondContact O-CB 3.49Å |
| 77 | L | 96.2 | Very high | 91.2 | Very high | 55 Ų | 55 | 67.5 Ų | 67.5 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | trans | -71.4 | 131.2 | -173.7 | -60.8 | -169.3 | 0 | 0 | 0 | 111.2 | E73 T350 L394 D398 | E73-L77 HydrophobicContact CG-CD1 3.39Å; E73-L77 HydrophobicContact CG-CG 3.71Å; E73-L77 PolarHBondContact O-N 3.24Å; L77-T350 HydrophobicContact CD1-CG2 4.48Å; L77-L394 HydrophobicContact CD2-CD1 4.42Å; L77-D398 HydrophobicContact CD1-CB 4.21Å; L77-D398 HydrophobicContact CD2-CB 3.73Å | ||
| 78 | V | 93 | Very high | 91 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 24% | 0.242 | 32% | 0.322 | C | S | . | . | trans | -135.2 | 130.6 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | V76 E80 Y146 Q396 | V76-V78 PolarHBondContact O-N 3.46Å; V78-E80 HydrophobicContact CG1-CB 4.47Å; V78-E80 HydrophobicContact CG1-CG 3.82Å; V78-E80 PolarHBondContact O-N 2.51Å; V78-Y146 HydrophobicContact CG2-CD1 4.32Å; V78-Y146 HydrophobicContact CG2-CE1 3.62Å; V78-Q396 HydrophobicContact CB-CB 4.43Å; V78-Q396 HydrophobicContact CG2-CB 4.43Å; V78-Q396 PolarHBondContact N-O 2.94Å | ||
| 79 | D | 88.3 | Confident | 90.8 | Very high | 173 Ų | 173 | 65.5 Ų | 65.5 | 93% | 0.925 | 32% | 0.323 | S | S | * | . | trans | -76.2 | 86.1 | 172.8 | -170.2 | 14.5 | 0 | 0 | 0 | 110 | ||||
| 80 | E | 86.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | trans | -134.3 | 147 | 177 | -83.3 | -174 | -178.5 | 0 | 0 | 111.1 | V78 E82 S145 | V78-E80 HydrophobicContact CG1-CB 4.47Å; V78-E80 HydrophobicContact CG1-CG 3.82Å; V78-E80 PolarHBondContact O-N 2.51Å; E80-E82 PolarHBondContact O-N 3.29Å; E80-S145 VanDerWaalsContact CD-OG 3.26Å; E80-S145 PolarHBondContact OE1-OG 3.28Å; E80-S145 PolarHBondContact OE2-OG 2.71Å | ||
| 81 | E | 84.3 | Confident | 90.6 | Very high | 185 Ų | 185 | 63.4 Ų | 63.4 | 86% | 0.864 | 31% | 0.314 | S | S | * | . | trans | -60.4 | 121.9 | 178 | -173.4 | 177.9 | -169.2 | 0 | 0 | 111.7 | R2 | R2-E81 PolarHBondContact NH2-O 3.46Š| ||
| 82 | E | 83.7 | Confident | 90.7 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | trans | -66.2 | 149.2 | -179.6 | -65.1 | -171.6 | -141.6 | 0 | 0 | 112.6 | E80 N397 | E80-E82 PolarHBondContact O-N 3.29Å; E82-N397 HydrophobicContact CG-CB 4.01Å; E82-N397 PolarHBondContact OE2-ND2 3.44Å | ||
| 83 | Q | 82.8 | Confident | 90.7 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | trans | -101.1 | 111.6 | 169.7 | -76.5 | -177.3 | -10 | 0 | 0 | 109.2 | R2 T4 N85 L86 Q89 | R2-Q83 VanDerWaalsContact NH1-CG 3.26Å; T4-Q83 VanDerWaalsContact CG2-OE1 3.27Å; Q83-N85 PolarHBondContact O-N 3.45Å; Q83-L86 HydrophobicContact CB-CD1 4.07Å; Q83-L86 HydrophobicContact CB-CG 4.11Å; Q83-L86 PolarHBondContact O-N 3Å; Q83-Q89 VanDerWaalsContact N-NE2 3.17Å; Q83-Q89 PolarHBondContact O-NE2 3.16Å | ||
| 84 | E | 75.6 | Confident | 90.8 | Very high | 194 Ų | 194 | 60 Ų | 60 | 91% | 0.907 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -27.3 | -169.4 | -67 | -176.4 | 164.4 | 0 | 0 | 114.9 | ||
| 85 | N | 79.3 | Confident | 90.9 | Very high | 157 Ų | 157 | 54.7 Ų | 54.7 | 84% | 0.84 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 1.7 | -175.7 | -64.7 | -32.6 | 0 | 0 | 0 | 114.6 | Q83 | Q83-N85 PolarHBondContact O-N 3.45Š|
| 86 | L | 87.2 | Confident | 91 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -105.3 | 115.9 | 179.8 | -60.3 | -174.1 | 0 | 0 | 0 | 110.9 | T4 Q83 F88 Q89 I130 T139 V141 | T4-L86 HydrophobicContact CG2-CD1 4.24Å; Q83-L86 HydrophobicContact CB-CD1 4.07Å; Q83-L86 HydrophobicContact CB-CG 4.11Å; Q83-L86 PolarHBondContact O-N 3Å; L86-F88 PolarHBondContact O-N 2.81Å; L86-Q89 PolarHBondContact O-NE2 3.39Å; L86-I130 HydrophobicContact CB-CD1 4.33Å; L86-I130 HydrophobicContact CD2-CD1 4.03Å; L86-T139 HydrophobicContact CD2-CG2 3.94Å; L86-V141 HydrophobicContact CD1-CG1 4.34Å; L86-V141 HydrophobicContact CD1-CG2 4.01Å; L86-V141 HydrophobicContact CD2-CG2 4.19Å | ||
| 87 | I | 88.2 | Confident | 91.1 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -65.1 | -19.4 | 172.6 | 57.1 | 171.8 | 0 | 0 | 0 | 113.6 | Y38 I40 I130 | Y38-I87 HydrophobicContact CD1-CD1 3.43Å; Y38-I87 VanDerWaalsContact CD1-CD1 3.43Å; Y38-I87 HydrophobicContact CD2-CD1 3.15Å; Y38-I87 HydrophobicContact CE1-CD1 3.62Å; Y38-I87 HydrophobicContact CE2-CD1 3.39Å; Y38-I87 HydrophobicContact CG-CD1 3.18Å; I40-I87 HydrophobicContact CG1-CD1 4.49Å; I87-I130 HydrophobicContact CD1-CG2 3.72Å; I87-I130 HydrophobicContact CG1-CD1 3.81Å; I87-I130 HydrophobicContact CG1-CG1 4.18Å; I87-I130 HydrophobicContact CG1-CG2 3.95Å |
| 88 | F | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | trans | -137.4 | 122.2 | 176.7 | -179.8 | -115.5 | 0 | 0 | 0 | 107.7 | I40 L86 G90 Y128 I130 F393 | I40-F88 HydrophobicContact CD1-CB 3.73Å; I40-F88 HydrophobicContact CD1-CD2 4.5Å; I40-F88 HydrophobicContact CD1-CG 4.05Å; I40-F88 HydrophobicContact CG1-CB 4.3Å; I40-F88 HydrophobicContact CG2-CD1 3.86Å; I40-F88 HydrophobicContact CG2-CE1 4.26Å; I40-F88 HydrophobicContact CG2-CG 4.39Å; L86-F88 PolarHBondContact O-N 2.81Å; F88-G90 VanDerWaalsContact CZ-C 3.41Å; F88-Y128 HydrophobicContact CD1-CD1 4.14Å; F88-Y128 AromaticContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CE1 4.23Å; F88-Y128 AromaticContact CD1-CE2 3.91Å; F88-Y128 HydrophobicContact CD1-CE2 3.91Å; F88-Y128 AromaticContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CE1-CD1 4.03Å; F88-Y128 HydrophobicContact CE1-CD2 4.49Å; F88-Y128 HydrophobicContact CE1-CE1 4.31Å; F88-Y128 HydrophobicContact CE1-CG 4.13Å; F88-Y128 WeakPolarHBondContact O-CE2 3.42Å; F88-Y128 VanDerWaalsContact O-CZ 3.25Å; F88-Y128 PolarHBondContact O-OH 2.89Å; F88-I130 HydrophobicContact CB-CD1 4.29Å; F88-F393 AromaticContact CD2-CD2 3.69Å; F88-F393 HydrophobicContact CD2-CD2 3.69Å; F88-F393 AromaticContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CG 4.13Å; F88-F393 HydrophobicContact CE2-CB 4.15Å; F88-F393 AromaticContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CG 4.15Å | ||
| 89 | Q | 92.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.023 | 24% | 0.236 | C | C | . | . | trans | -93.2 | 4.5 | -174 | -59.1 | -70.5 | -0.9 | 0 | 0 | 112.8 | Q83 L86 Y128 Q396 N397 | Q83-Q89 VanDerWaalsContact N-NE2 3.17Å; Q83-Q89 PolarHBondContact O-NE2 3.16Å; L86-Q89 PolarHBondContact O-NE2 3.39Å; Q89-Y128 WeakPolarHBondContact CA-OH 3.43Å; Q89-Y128 PolarHBondContact O-OH 3.22Å; Q89-Q396 HydrophobicContact CB-CG 3.8Å; Q89-Q396 PolarHBondContact O-NE2 3.37Å; Q89-Q396 PolarHBondContact O-OE1 3Å; Q89-N397 HydrophobicContact CG-CB 4.42Å | ||
| 90 | G | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 95.6 | 162.2 | -158 | 0 | 0 | 0 | 0 | 0 | 110.1 | F88 Y125 Y128 G395 Q396 | F88-G90 VanDerWaalsContact CZ-C 3.41Å; G90-Y125 WeakPolarHBondContact CA-O 3.29Å; G90-Y128 PolarHBondContact N-OH 2.87Å; G90-G395 CarbonylContact O-C 3.53Å; G90-G395 WeakPolarHBondContact O-CA 3.45Å; G90-Q396 PolarHBondContact O-N 3.14Å |
| 91 | G | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -163.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y125 Y146 L394 | G91-Y125 PolarHBondContact N-O 3.04Å; G91-Y125 PolarHBondContact O-N 3.01Å; G91-Y146 WeakPolarHBondContact CA-OH 3.23Å; G91-L394 CarbonylContact C-O 3.5Å; G91-L394 WeakPolarHBondContact CA-O 3.41Å |
| 92 | A | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L72 V76 F122 Y123 L124 F393 L394 | L72-A92 HydrophobicContact CD1-CB 4.1Å; V76-A92 HydrophobicContact CG1-CB 4.3Å; V76-A92 HydrophobicContact CG2-CB 3.39Å; A92-F122 HydrophobicContact CB-CB 4Å; A92-F122 HydrophobicContact CB-CD1 3.73Å; A92-F122 HydrophobicContact CB-CG 4.16Å; A92-Y123 CarbonylContact C-O 3.49Å; A92-Y123 VanDerWaalsContact CA-O 3.24Å; A92-Y123 WeakPolarHBondContact CA-O 3.48Å; A92-L124 HydrophobicContact CB-CD1 4.49Å; A92-F393 CarbonylContact O-C 3.52Å; A92-F393 WeakPolarHBondContact O-CA 3.44Å; A92-F393 VanDerWaalsContact O-CB 3.29Å; A92-F393 WeakPolarHBondContact O-CB 3.46Å; A92-L394 PolarHBondContact N-O 3.16Å; A92-L394 PolarHBondContact O-N 2.95Å |
| 93 | L | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 132.3 | 172.4 | -176.1 | 132.9 | 0 | 0 | 0 | 110 | F29 Y123 Y125 L242 F393 | F29-L93 HydrophobicContact CB-CD1 3.64Å; F29-L93 HydrophobicContact CG-CD1 4.27Å; L93-Y123 PolarHBondContact N-O 3.47Å; L93-Y123 PolarHBondContact O-N 3.28Å; L93-Y125 HydrophobicContact CB-CD2 4.14Å; L93-Y125 HydrophobicContact CB-CE2 4.01Å; L93-Y125 HydrophobicContact CD2-CE2 4.44Å; L93-L242 HydrophobicContact CD2-CD2 3.52Å; L93-L242 HydrophobicContact CG-CD2 4.48Å; L93-F393 HydrophobicContact CB-CB 4.14Å; L93-F393 HydrophobicContact CD1-CB 3.91Å; L93-F393 HydrophobicContact CD1-CD1 4.47Å; L93-F393 HydrophobicContact CG-CB 4.28Å |
| 94 | G | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -153 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q121 F122 G392 | G94-Q121 WeakPolarHBondContact CA-O 3.46Å; G94-F122 VanDerWaalsContact CA-CD1 3.46Å; G94-G392 PolarHBondContact N-O 3.42Å; G94-G392 PolarHBondContact O-N 3.32Å |
| 95 | Y | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155 | 179.6 | 71.7 | -96 | 0 | 0 | 0 | 113.6 | P118 L120 Q121 F122 L242 F244 V249 I386 A390 | Y95-P118 WeakPolarHBondContact CE2-O 3.4Å; Y95-P118 PolarHBondContact OH-O 3.41Å; Y95-L120 WeakPolarHBondContact O-CA 3.48Å; Y95-Q121 HydrophobicContact CD1-CB 4.4Å; Y95-Q121 HydrophobicContact CE1-CB 3.67Å; Y95-Q121 HydrophobicContact CE2-CB 4.43Å; Y95-Q121 PolarHBondContact N-O 3.22Å; Y95-Q121 PolarHBondContact O-N 3.33Å; Y95-Q121 VanDerWaalsContact O-N 3.09Å; Y95-F122 VanDerWaalsContact C-CE2 3.49Å; Y95-F122 WeakPolarHBondContact O-CE2 3.31Å; Y95-L242 HydrophobicContact CD1-CD1 4.35Å; Y95-F244 HydrophobicContact CD1-CD2 4.45Å; Y95-F244 AromaticContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CZ 4.27Å; Y95-F244 HydrophobicContact CE1-CD2 4.04Å; Y95-F244 AromaticContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CZ 4.35Å; Y95-V249 HydrophobicContact CD1-CG2 4.08Å; Y95-V249 HydrophobicContact CE1-CG2 4.19Å; Y95-I386 HydrophobicContact CD1-CD1 4.38Å; Y95-I386 HydrophobicContact CD2-CD1 4.39Å; Y95-I386 HydrophobicContact CD2-CG1 3.73Å; Y95-I386 HydrophobicContact CE1-CD1 4.05Å; Y95-I386 HydrophobicContact CE1-CG1 4.41Å; Y95-I386 HydrophobicContact CE2-CD1 4.07Å; Y95-I386 HydrophobicContact CE2-CG1 3.57Å; Y95-I386 HydrophobicContact CG-CG1 4.25Å; Y95-A390 CarbonylContact C-O 3.55Å; Y95-A390 WeakPolarHBondContact CA-O 3.41Å; Y95-A390 WeakPolarHBondContact CB-O 3.35Å |
| 96 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.2 | 166.7 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | L69 V100 L120 F122 L355 L359 G389 A390 | L69-V96 HydrophobicContact CD2-CG1 4.12Å; L69-V96 HydrophobicContact CD2-CG2 3.87Å; V96-V100 HydrophobicContact CG1-CB 3.74Å; V96-V100 HydrophobicContact CG1-CG1 3.83Å; V96-V100 HydrophobicContact CG1-CG2 3.74Å; V96-L120 HydrophobicContact CG2-CD1 3.96Å; V96-L120 HydrophobicContact CG2-CG 4.3Å; V96-F122 HydrophobicContact CG2-CE2 3.63Å; V96-F122 HydrophobicContact CG2-CZ 3.91Å; V96-L355 HydrophobicContact CB-CD2 4.49Å; V96-L355 HydrophobicContact CG2-CD2 3.77Å; V96-L359 HydrophobicContact CG1-CD2 3.6Å; V96-G389 CarbonylContact O-C 3.56Å; V96-G389 VanDerWaalsContact O-CA 3.25Å; V96-G389 WeakPolarHBondContact O-CA 3.4Å; V96-A390 HydrophobicContact CB-CB 4.32Å; V96-A390 PolarHBondContact N-O 3.24Å; V96-A390 PolarHBondContact O-N 3.35Å |
| 97 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -68.2 | 159.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D99 V100 D119 S385 | G97-D99 PolarHBondContact O-N 2.99Å; G97-V100 WeakPolarHBondContact O-CB 3.46Å; G97-V100 PolarHBondContact O-N 2.92Å; G97-D119 WeakPolarHBondContact CA-O 3.46Å; G97-D119 PolarHBondContact N-O 3Å; G97-S385 CarbonylContact C-O 3.6Å; G97-S385 WeakPolarHBondContact CA-O 3.47Å | ||
| 98 | Y | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -55.3 | -40.7 | 176.9 | 174.8 | -86.4 | 0 | 0 | 0 | 112.3 | V100 A101 P360 M373 Y377 R384 S385 Y387 A388 | Y98-V100 PolarHBondContact O-N 3.21Å; Y98-A101 WeakPolarHBondContact O-CB 3.4Å; Y98-A101 PolarHBondContact O-N 2.89Å; Y98-P360 HydrophobicContact CD2-CB 3.7Å; Y98-P360 HydrophobicContact CD2-CG 3.93Å; Y98-P360 HydrophobicContact CE2-CB 3.81Å; Y98-P360 HydrophobicContact CE2-CG 3.58Å; Y98-M373 HydrophobicContact CE1-CE 4.47Å; Y98-M373 WeakPolarHBondContact OH-CG 3.27Å; Y98-Y377 HydrophobicContact CD1-CE1 4.28Å; Y98-Y377 HydrophobicContact CE1-CD1 4.44Å; Y98-Y377 AromaticContact CE1-CE1 3.75Å; Y98-Y377 HydrophobicContact CE1-CE1 3.75Å; Y98-R384 HydrophobicContact CD1-CB 3.99Å; Y98-R384 HydrophobicContact CD1-CG 4.29Å; Y98-R384 VanDerWaalsContact CE2-NH1 3.29Å; Y98-R384 HydrophobicContact CG-CB 4.03Å; Y98-R384 HydrophobicContact CG-CG 4.47Å; Y98-S385 PolarHBondContact N-O 3.42Å; Y98-Y387 VanDerWaalsContact CB-O 3.3Å; Y98-Y387 WeakPolarHBondContact CB-O 3.4Å; Y98-A388 HydrophobicContact CD2-CB 3.67Å; Y98-A388 HydrophobicContact CE2-CB 4.3Å; Y98-A388 HydrophobicContact CG-CB 4.49Å |
| 99 | D | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -73.2 | -11.2 | -172.5 | -54.3 | -75.6 | 0 | 0 | 0 | 113.6 | G97 A101 A102 Y377 K383 S385 | G97-D99 PolarHBondContact O-N 2.99Å; D99-A101 PolarHBondContact O-N 3.5Å; D99-A102 VanDerWaalsContact O-CB 3.28Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 2.95Å; D99-Y377 WeakPolarHBondContact OD1-CE1 3.39Å; D99-Y377 PolarHBondContact OD1-OH 3.06Å; D99-K383 HydrophobicContact CB-CG 4.46Å; D99-K383 VanDerWaalsContact CG-CG 3.42Å; D99-K383 VanDerWaalsContact OD2-CE 3.27Å; D99-K383 WeakPolarHBondContact OD2-CE 3.35Å; D99-K383 WeakPolarHBondContact OD2-CG 3.41Å; D99-S385 VanDerWaalsContact OD2-CA 3.31Å; D99-S385 WeakPolarHBondContact OD2-CA 3.25Å; D99-S385 PolarHBondContact OD2-N 3.48Å |
| 100 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -59.2 | -26.5 | 169.8 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | P68 L69 V96 G97 Y98 A102 C103 Y104 D119 L120 L359 | P68-V100 HydrophobicContact CG-CG1 4.17Å; L69-V100 HydrophobicContact CG-CG1 4.49Å; V96-V100 HydrophobicContact CG1-CB 3.74Å; V96-V100 HydrophobicContact CG1-CG1 3.83Å; V96-V100 HydrophobicContact CG1-CG2 3.74Å; G97-V100 WeakPolarHBondContact O-CB 3.46Å; G97-V100 PolarHBondContact O-N 2.92Å; Y98-V100 PolarHBondContact O-N 3.21Å; V100-A102 PolarHBondContact O-N 2.82Å; V100-C103 VanDerWaalsContact O-CB 3.28Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.21Å; V100-C103 PolarHBondContact O-SG 3.28Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; V100-D119 HydrophobicContact CG2-CB 3.82Å; V100-D119 WeakPolarHBondContact CG2-O 3.4Å; V100-L120 HydrophobicContact CG2-CB 4.27Å; V100-L359 HydrophobicContact CB-CD2 4.21Å; V100-L359 HydrophobicContact CG1-CD2 4.35Å |
| 101 | A | 96.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -58.8 | -27 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y98 D99 C103 Y104 E105 I107 M373 | Y98-A101 WeakPolarHBondContact O-CB 3.4Å; Y98-A101 PolarHBondContact O-N 2.89Å; D99-A101 PolarHBondContact O-N 3.5Å; A101-C103 PolarHBondContact O-N 3.24Å; A101-Y104 PolarHBondContact O-N 2.74Å; A101-E105 PolarHBondContact O-N 3.01Å; A101-I107 HydrophobicContact CB-CD1 3.98Å; A101-M373 HydrophobicContact CB-CE 3.61Å |
| 102 | A | 95.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 28% | 0.281 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -67.6 | -13.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D99 V100 Y104 I107 I110 | D99-A102 VanDerWaalsContact O-CB 3.28Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 2.95Å; V100-A102 PolarHBondContact O-N 2.82Å; A102-Y104 VanDerWaalsContact C-N 3.29Å; A102-I107 HydrophobicContact CB-CD1 4.37Å; A102-I110 HydrophobicContact CB-CD1 4.46Å |
| 103 | C | 95.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 40.8 Ų | 40.8 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -73.1 | -23.3 | 170.8 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | V100 A101 | V100-C103 VanDerWaalsContact O-CB 3.28Å; V100-C103 WeakPolarHBondContact O-CB 3.45Å; V100-C103 PolarHBondContact O-N 3.21Å; V100-C103 PolarHBondContact O-SG 3.28Å; A101-C103 PolarHBondContact O-N 3.24Å |
| 104 | Y | 95.4 | Very high | 95.9 | Very high | 60 Ų | 60 | 46 Ų | 46 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -23 | -172.2 | -47.6 | -61.6 | 0 | 0 | 0 | 113.5 | D67 P68 L69 V100 A101 A102 K356 | D67-Y104 HydrophobicContact CB-CE1 4.47Å; D67-Y104 PolarHBondContact OD1-OH 2.85Å; P68-Y104 WeakPolarHBondContact CD-OH 3.36Å; L69-Y104 WeakPolarHBondContact CB-OH 3.4Å; L69-Y104 HydrophobicContact CD1-CE2 3.9Å; L69-Y104 HydrophobicContact CG-CE2 4.43Å; L69-Y104 VanDerWaalsContact CG-OH 3.29Å; L69-Y104 WeakPolarHBondContact CG-OH 3.4Å; L69-Y104 PolarHBondContact N-OH 3.09Å; V100-Y104 HydrophobicContact CG1-CE2 3.88Å; A101-Y104 PolarHBondContact O-N 2.74Å; A102-Y104 VanDerWaalsContact C-N 3.29Å; Y104-K356 HydrophobicContact CD1-CD 3.84Å; Y104-K356 HydrophobicContact CD1-CG 4.24Å; Y104-K356 HydrophobicContact CD2-CD 4.31Å; Y104-K356 HydrophobicContact CD2-CG 3.8Å; Y104-K356 HydrophobicContact CE1-CD 3.86Å; Y104-K356 HydrophobicContact CE1-CG 4.35Å; Y104-K356 HydrophobicContact CE2-CD 4.32Å; Y104-K356 HydrophobicContact CE2-CG 3.91Å; Y104-K356 HydrophobicContact CG-CD 4.08Å; Y104-K356 HydrophobicContact CG-CG 3.98Å; Y104-K356 VanDerWaalsContact CZ-CE 3.48Å |
| 105 | E | 94.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -131.4 | 140.5 | -175.2 | -61.4 | -70.6 | -174.8 | 0 | 0 | 111.2 | A101 I107 I370 | A101-E105 PolarHBondContact O-N 3.01Å; E105-I107 HydrophobicContact CB-CD1 3.84Å; E105-I107 HydrophobicContact CB-CG1 3.93Å; E105-I107 PolarHBondContact O-N 3.44Å; E105-I370 HydrophobicContact CG-CD1 4.45Å; E105-I370 HydrophobicContact CG-CG1 4.33Å; E105-I370 VanDerWaalsContact OE2-CD1 3.28Å; E105-I370 WeakPolarHBondContact OE2-CD1 3.34Å |
| 106 | A | 94 | Very high | 95.5 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 80% | 0.802 | 28% | 0.282 | S | S | * | . | trans | -78.5 | 81.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 107 | I | 93.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | trans | -93.2 | -11.9 | -173.1 | -59.9 | 145.6 | 0 | 0 | 0 | 112.9 | A101 A102 E105 M373 T374 Y377 | A101-I107 HydrophobicContact CB-CD1 3.98Å; A102-I107 HydrophobicContact CB-CD1 4.37Å; E105-I107 HydrophobicContact CB-CD1 3.84Å; E105-I107 HydrophobicContact CB-CG1 3.93Å; E105-I107 PolarHBondContact O-N 3.44Å; I107-M373 HydrophobicContact CD1-CE 3.2Å; I107-M373 HydrophobicContact CD1-SD 4.47Å; I107-M373 HydrophobicContact CG1-CB 4.34Å; I107-M373 HydrophobicContact CG1-CE 3.82Å; I107-M373 HydrophobicContact CG2-CB 3.63Å; I107-M373 HydrophobicContact CG2-CE 4.38Å; I107-T374 WeakPolarHBondContact O-CA 3.47Å; I107-Y377 HydrophobicContact CB-CD2 4.28Å; I107-Y377 HydrophobicContact CB-CE2 4.17Å; I107-Y377 HydrophobicContact CG2-CD2 3.64Å; I107-Y377 HydrophobicContact CG2-CE2 3.79Å; I107-Y377 HydrophobicContact CG2-CG 4.02Å | ||
| 108 | G | 93.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 60% | 0.598 | 29% | 0.287 | S | S | * | . | trans | 111.4 | -161.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 109 | E | 94 | Very high | 95.3 | Very high | 178 Ų | 178 | 49.8 Ų | 49.8 | 83% | 0.832 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -77.2 | 128.6 | 179.3 | -169.8 | 176.3 | -179.6 | 0 | 0 | 110.2 | Y377 | E109-Y377 WeakPolarHBondContact O-CD2 2.94Š|
| 110 | I | 94.3 | Very high | 95.4 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 128.9 | 178.5 | -59.1 | 175.9 | 0 | 0 | 0 | 108.4 | A102 Y377 K383 | A102-I110 HydrophobicContact CB-CD1 4.46Å; I110-Y377 HydrophobicContact CB-CE2 4.41Å; I110-Y377 HydrophobicContact CG1-CE2 3.87Å; I110-K383 HydrophobicContact CG2-CB 4.26Å; I110-K383 HydrophobicContact CG2-CD 3.88Å; I110-K383 HydrophobicContact CG2-CG 3.83Å |
| 111 | P | 95.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 50 Ų | 50 | 12% | 0.117 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 170.2 | 176.4 | -22.6 | 32.7 | 0 | 0 | 0 | 112.6 | D113 Y377 | P111-D113 PolarHBondContact O-N 3.31Å; P111-D113 VanDerWaalsContact O-N 3.11Å; P111-Y377 HydrophobicContact CG-CD1 4.02Å; P111-Y377 HydrophobicContact CG-CG 4.26Å |
| 112 | K | 96.2 | Very high | 95.5 | Very high | 145 Ų | 145 | 49.8 Ų | 49.8 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -54.7 | 120.7 | -177 | -175.2 | -179.2 | 177.9 | -175.1 | 0 | 111.8 | Q114 V382 K383 | K112-Q114 HydrophobicContact CD-CG 4.19Å; K112-Q114 HydrophobicContact CG-CG 4.19Å; K112-Q114 PolarHBondContact O-N 3.18Å; K112-Q114 VanDerWaalsContact O-N 3.13Å; K112-V382 WeakPolarHBondContact O-CA 3.32Å; K112-K383 PolarHBondContact O-N 3.22Å |
| 113 | D | 95.8 | Very high | 95.5 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -78.7 | 95.5 | 174.2 | -165.8 | -11.4 | 0 | 0 | 0 | 110.5 | P111 L115 G116 K383 | P111-D113 PolarHBondContact O-N 3.31Å; P111-D113 VanDerWaalsContact O-N 3.11Å; D113-L115 PolarHBondContact OD1-N 3.39Å; D113-G116 PolarHBondContact OD1-N 2.69Å; D113-K383 HydrophobicContact CB-CB 4.29Å; D113-K383 HydrophobicContact CB-CD 3.78Å; D113-K383 VanDerWaalsContact CG-CD 3.48Å; D113-K383 WeakPolarHBondContact OD2-CD 3.28Å; D113-K383 IonicContact OD2-NZ 3.69Å; D113-K383 PolarHBondContact OD2-NZ 3.39Å | ||
| 114 | Q | 92.7 | Very high | 95.6 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -84.8 | -24.3 | 177.8 | -68 | -170.5 | -6.1 | 0 | 0 | 113.2 | K112 V382 | K112-Q114 HydrophobicContact CD-CG 4.19Å; K112-Q114 HydrophobicContact CG-CG 4.19Å; K112-Q114 PolarHBondContact O-N 3.18Å; K112-Q114 VanDerWaalsContact O-N 3.13Å; Q114-V382 HydrophobicContact CG-CG1 3.83Å |
| 115 | L | 94.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -84.4 | -37.2 | -177.9 | -68.1 | 177.4 | 0 | 0 | 0 | 111.3 | D113 V117 K412 H417 | D113-L115 PolarHBondContact OD1-N 3.39Å; L115-V117 HydrophobicContact CB-CG1 4.2Å; L115-V117 HydrophobicContact CB-CG2 4.11Å; L115-V117 PolarHBondContact O-N 2.89Å; L115-K412 WeakPolarHBondContact O-CD 3.42Å; L115-K412 WeakPolarHBondContact O-CE 3.45Å; L115-K412 PolarHBondContact O-NZ 2.82Å; L115-H417 HydrophobicContact CD2-CB 4.46Å; L115-H417 WeakPolarHBondContact CD2-CD2 3.44Å; L115-H417 WeakPolarHBondContact CD2-NE2 3.37Å |
| 116 | G | 94.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | trans | 63.3 | 23.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q52 D113 | Q52-G116 PolarHBondContact NE2-O 2.55Å; D113-G116 PolarHBondContact OD1-N 2.69Å | ||
| 117 | V | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | trans | -78.1 | 154.3 | 172.3 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | Q52 L115 V247 I386 K412 | Q52-V117 PolarHBondContact NE2-O 3.41Å; Q52-V117 VanDerWaalsContact NE2-O 3.15Å; L115-V117 HydrophobicContact CB-CG1 4.2Å; L115-V117 HydrophobicContact CB-CG2 4.11Å; L115-V117 PolarHBondContact O-N 2.89Å; V117-V247 HydrophobicContact CG1-CB 4.21Å; V117-V247 HydrophobicContact CG1-CG1 4.5Å; V117-V247 HydrophobicContact CG1-CG2 3.93Å; V117-I386 HydrophobicContact CG2-CD1 4.42Å; V117-I386 HydrophobicContact CG2-CG1 4.43Å; V117-K412 HydrophobicContact CG1-CD 3.51Å | ||
| 118 | P | 96.9 | Very high | 96 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -55.1 | 151.6 | 170.6 | -28 | 37.1 | 0 | 0 | 0 | 113.5 | I50 Q52 Y95 L120 Q121 | I50-P118 HydrophobicContact CG2-CB 3.61Å; I50-P118 HydrophobicContact CG2-CG 3.58Å; Q52-P118 HydrophobicContact CB-CB 4.43Å; Y95-P118 WeakPolarHBondContact CE2-O 3.4Å; Y95-P118 PolarHBondContact OH-O 3.41Å; P118-L120 VanDerWaalsContact C-N 3.35Å; P118-Q121 HydrophobicContact CB-CB 4.22Å | ||
| 119 | D | 97.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -75.4 | -29.1 | 174.2 | -68 | -60.4 | 0 | 0 | 0 | 111.2 | F51 G97 V100 K383 | F51-D119 HydrophobicContact CD1-CB 3.94Å; F51-D119 HydrophobicContact CE1-CB 4.41Å; F51-D119 PolarHBondContact O-N 3.27Å; G97-D119 WeakPolarHBondContact CA-O 3.46Å; G97-D119 PolarHBondContact N-O 3Å; V100-D119 HydrophobicContact CG2-CB 3.82Å; V100-D119 WeakPolarHBondContact CG2-O 3.4Å; D119-K383 WeakPolarHBondContact OD1-CE 3.28Å; D119-K383 IonicContact OD1-NZ 3.15Å; D119-K383 PolarHBondContact OD1-NZ 3.43Å; D119-K383 IonicContact OD2-NZ 3.29Å |
| 120 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 137.4 | 170.8 | 166.4 | 164.6 | 0 | 0 | 0 | 108.3 | I50 F51 F56 L69 L72 Y95 V96 V100 P118 F122 | I50-L120 CarbonylContact C-O 3.33Å; I50-L120 WeakPolarHBondContact CA-O 3.28Å; F51-L120 HydrophobicContact CB-CB 4.12Å; F51-L120 HydrophobicContact CB-CD2 4.42Å; F51-L120 PolarHBondContact N-O 2.88Å; F51-L120 PolarHBondContact O-N 3.12Å; F51-L120 VanDerWaalsContact O-N 3.16Å; F56-L120 HydrophobicContact CE2-CD2 4.43Å; L69-L120 HydrophobicContact CD2-CD1 3.75Å; L72-L120 HydrophobicContact CD2-CD1 4.29Å; Y95-L120 WeakPolarHBondContact O-CA 3.48Å; V96-L120 HydrophobicContact CG2-CD1 3.96Å; V96-L120 HydrophobicContact CG2-CG 4.3Å; V100-L120 HydrophobicContact CG2-CB 4.27Å; P118-L120 VanDerWaalsContact C-N 3.35Å; L120-F122 HydrophobicContact CD1-CD2 4.46Å; L120-F122 HydrophobicContact CD1-CE2 4.25Å; L120-F122 HydrophobicContact CD2-CD2 3.74Å; L120-F122 HydrophobicContact CD2-CE2 4.29Å; L120-F122 HydrophobicContact CG-CD2 3.8Å; L120-F122 HydrophobicContact CG-CE2 3.84Å |
| 121 | Q | 97.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 124.7 | 174.7 | -170.3 | 169 | 10.6 | 0 | 0 | 111.2 | N48 L49 I50 G94 Y95 P118 F244 | N48-Q121 PolarHBondContact OD1-NE2 3.2Å; N48-Q121 VanDerWaalsContact OD1-NE2 3.14Å; L49-Q121 WeakPolarHBondContact O-CA 3.25Å; I50-Q121 HydrophobicContact CG1-CG 4.04Å; G94-Q121 WeakPolarHBondContact CA-O 3.46Å; Y95-Q121 HydrophobicContact CD1-CB 4.4Å; Y95-Q121 HydrophobicContact CE1-CB 3.67Å; Y95-Q121 HydrophobicContact CE2-CB 4.43Å; Y95-Q121 PolarHBondContact N-O 3.22Å; Y95-Q121 PolarHBondContact O-N 3.33Å; Y95-Q121 VanDerWaalsContact O-N 3.09Å; P118-Q121 HydrophobicContact CB-CB 4.22Å; Q121-F244 HydrophobicContact CB-CE1 4.33Å; Q121-F244 HydrophobicContact CB-CZ 4.3Å; Q121-F244 VanDerWaalsContact CD-CD1 3.43Å; Q121-F244 HydrophobicContact CG-CD1 3.62Å; Q121-F244 HydrophobicContact CG-CE1 3.55Å; Q121-F244 HydrophobicContact CG-CG 4.17Å; Q121-F244 HydrophobicContact CG-CZ 4.01Å; Q121-F244 WeakPolarHBondContact O-CZ 3.31Å |
| 122 | F | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 142.3 | 179.1 | -78.7 | -98.7 | 0 | 0 | 0 | 111.2 | L49 L72 A92 G94 Y95 V96 L120 F402 | L49-F122 PolarHBondContact N-O 2.92Å; L49-F122 PolarHBondContact O-N 2.78Å; L72-F122 HydrophobicContact CD1-CB 3.99Å; L72-F122 HydrophobicContact CD1-CD2 4.29Å; L72-F122 HydrophobicContact CD1-CG 4.15Å; L72-F122 HydrophobicContact CD2-CD1 4.41Å; L72-F122 HydrophobicContact CD2-CD2 3.67Å; L72-F122 HydrophobicContact CD2-CE1 4.46Å; L72-F122 HydrophobicContact CD2-CE2 3.73Å; L72-F122 HydrophobicContact CD2-CG 4.03Å; L72-F122 HydrophobicContact CD2-CZ 4.13Å; A92-F122 HydrophobicContact CB-CB 4Å; A92-F122 HydrophobicContact CB-CD1 3.73Å; A92-F122 HydrophobicContact CB-CG 4.16Å; G94-F122 VanDerWaalsContact CA-CD1 3.46Å; Y95-F122 VanDerWaalsContact C-CE2 3.49Å; Y95-F122 WeakPolarHBondContact O-CE2 3.31Å; V96-F122 HydrophobicContact CG2-CE2 3.63Å; V96-F122 HydrophobicContact CG2-CZ 3.91Å; L120-F122 HydrophobicContact CD1-CD2 4.46Å; L120-F122 HydrophobicContact CD1-CE2 4.25Å; L120-F122 HydrophobicContact CD2-CD2 3.74Å; L120-F122 HydrophobicContact CD2-CE2 4.29Å; L120-F122 HydrophobicContact CG-CD2 3.8Å; L120-F122 HydrophobicContact CG-CE2 3.84Å; F122-F402 AromaticContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CZ 4.07Å; F122-F402 AromaticContact CZ-CE1 3.67Å; F122-F402 HydrophobicContact CZ-CE1 3.67Å; F122-F402 AromaticContact CZ-CZ 3.9Å; F122-F402 HydrophobicContact CZ-CZ 3.9Å |
| 123 | Y | 97.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.5 | 163.8 | -82 | -56.5 | 0 | 0 | 0 | 110.4 | P45 K47 N48 A92 L93 Y125 F244 P245 | P45-Y123 HydrophobicContact CB-CD1 3.4Å; P45-Y123 VanDerWaalsContact CB-CD1 3.4Å; P45-Y123 HydrophobicContact CB-CE1 4.1Å; P45-Y123 HydrophobicContact CB-CG 3.76Å; P45-Y123 HydrophobicContact CG-CD1 3.54Å; P45-Y123 HydrophobicContact CG-CE1 3.71Å; P45-Y123 HydrophobicContact CG-CG 4.04Å; K47-Y123 WeakPolarHBondContact O-CA 3.49Å; K47-Y123 WeakPolarHBondContact O-CD1 3.37Å; N48-Y123 HydrophobicContact CB-CD1 3.94Å; N48-Y123 HydrophobicContact CB-CE1 3.64Å; A92-Y123 CarbonylContact C-O 3.49Å; A92-Y123 VanDerWaalsContact CA-O 3.24Å; A92-Y123 WeakPolarHBondContact CA-O 3.48Å; L93-Y123 PolarHBondContact N-O 3.47Å; L93-Y123 PolarHBondContact O-N 3.28Å; Y123-Y125 VanDerWaalsContact CB-OH 3.28Å; Y123-Y125 WeakPolarHBondContact CB-OH 3.34Å; Y123-Y125 VanDerWaalsContact CD2-OH 3.26Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.08Å; Y123-Y125 HydrophobicContact CG-CE2 4.37Å; Y123-Y125 AromaticContact CG-CZ 3.99Å; Y123-Y125 VanDerWaalsContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CE2 3.27Å; Y123-F244 AromaticContact CD2-CD1 3.57Å; Y123-F244 HydrophobicContact CD2-CD1 3.57Å; Y123-F244 AromaticContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CZ 4.4Å; Y123-F244 AromaticContact CE2-CD1 3.19Å; Y123-F244 HydrophobicContact CE2-CD1 3.19Å; Y123-F244 AromaticContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CG 4.14Å; Y123-F244 HydrophobicContact CG-CD1 4.46Å; Y123-F244 HydrophobicContact CG-CE1 4.09Å; Y123-F244 AromaticContact CZ-CD1 3.87Å; Y123-P245 VanDerWaalsContact OH-CD 3.25Å; Y123-P245 WeakPolarHBondContact OH-CD 3.32Å; Y123-P245 WeakPolarHBondContact OH-CG 3.41Å |
| 124 | L | 97.2 | Very high | 95.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.3 | 175.5 | -171.6 | 65.5 | 0 | 0 | 0 | 109.9 | P45 V46 K47 V76 A92 Y146 | P45-L124 CarbonylContact C-O 3.47Å; P45-L124 WeakPolarHBondContact CA-O 3.36Å; V46-L124 PolarHBondContact N-O 3.27Å; K47-L124 HydrophobicContact CB-CB 4.05Å; K47-L124 HydrophobicContact CB-CD2 4.34Å; K47-L124 HydrophobicContact CD-CD2 4.32Å; K47-L124 HydrophobicContact CG-CD2 4.37Å; K47-L124 PolarHBondContact O-N 3.22Å; V76-L124 HydrophobicContact CB-CD1 4.42Å; V76-L124 HydrophobicContact CG2-CD1 3.85Å; A92-L124 HydrophobicContact CB-CD1 4.49Å; L124-Y146 HydrophobicContact CD1-CD1 4.35Å; L124-Y146 HydrophobicContact CD1-CD2 4.38Å; L124-Y146 HydrophobicContact CD1-CE1 3.8Å; L124-Y146 HydrophobicContact CD1-CE2 3.88Å; L124-Y146 HydrophobicContact CD2-CD1 3.61Å; L124-Y146 HydrophobicContact CD2-CD2 4.16Å; L124-Y146 HydrophobicContact CD2-CE1 3.89Å; L124-Y146 HydrophobicContact CD2-CE2 4.45Å; L124-Y146 HydrophobicContact CD2-CG 3.74Å; L124-Y146 HydrophobicContact CG-CD1 4.12Å; L124-Y146 HydrophobicContact CG-CD2 3.9Å; L124-Y146 HydrophobicContact CG-CE1 4.07Å; L124-Y146 HydrophobicContact CG-CE2 3.9Å; L124-Y146 HydrophobicContact CG-CG 4.02Å |
| 125 | Y | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.7 | -173.4 | -62.1 | -80.3 | 0 | 0 | 0 | 113.2 | G25 S27 A42 F43 P45 G90 G91 L93 Y123 Y146 | G25-Y125 VanDerWaalsContact O-CE1 3.31Å; G25-Y125 WeakPolarHBondContact O-CE1 3.35Å; G25-Y125 PolarHBondContact O-OH 2.97Å; S27-Y125 WeakPolarHBondContact CB-OH 3.02Å; S27-Y125 PolarHBondContact OG-OH 2.65Å; A42-Y125 HydrophobicContact CB-CD1 3.66Å; A42-Y125 HydrophobicContact CB-CD2 3.58Å; A42-Y125 HydrophobicContact CB-CE1 3.91Å; A42-Y125 HydrophobicContact CB-CE2 3.82Å; A42-Y125 HydrophobicContact CB-CG 3.48Å; A42-Y125 VanDerWaalsContact CB-CG 3.48Å; F43-Y125 WeakPolarHBondContact O-CD1 3.47Å; P45-Y125 HydrophobicContact CB-CD1 3.96Å; P45-Y125 HydrophobicContact CB-CE1 3.63Å; P45-Y125 HydrophobicContact CG-CE1 4.18Å; G90-Y125 WeakPolarHBondContact CA-O 3.29Å; G91-Y125 PolarHBondContact N-O 3.04Å; G91-Y125 PolarHBondContact O-N 3.01Å; L93-Y125 HydrophobicContact CB-CD2 4.14Å; L93-Y125 HydrophobicContact CB-CE2 4.01Å; L93-Y125 HydrophobicContact CD2-CE2 4.44Å; Y123-Y125 VanDerWaalsContact CB-OH 3.28Å; Y123-Y125 WeakPolarHBondContact CB-OH 3.34Å; Y123-Y125 VanDerWaalsContact CD2-OH 3.26Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.08Å; Y123-Y125 HydrophobicContact CG-CE2 4.37Å; Y123-Y125 AromaticContact CG-CZ 3.99Å; Y123-Y125 VanDerWaalsContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.31Å; Y123-Y125 WeakPolarHBondContact O-CE2 3.27Å; Y125-Y146 WeakPolarHBondContact O-CE2 3.23Å |
| 126 | E | 95.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.019 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -125.4 | -1.7 | 165.3 | 59.4 | -176.8 | -156.8 | 0 | 0 | 112.2 | V46 G143 N144 S145 Y146 S147 | V46-E126 HydrophobicContact CG2-CG 3.7Å; E126-G143 VanDerWaalsContact CD-O 3.3Å; E126-G143 WeakPolarHBondContact O-CA 3.31Å; E126-G143 PolarHBondContact O-N 2.97Å; E126-N144 VanDerWaalsContact OE2-CA 3.27Å; E126-N144 WeakPolarHBondContact OE2-CA 3.43Å; E126-S145 PolarHBondContact OE2-N 3.24Å; E126-Y146 HydrophobicContact CB-CD2 3.96Å; E126-Y146 HydrophobicContact CB-CE2 4.36Å; E126-Y146 HydrophobicContact CG-CD2 4.49Å; E126-Y146 PolarHBondContact OE2-N 3.33Å; E126-S147 WeakPolarHBondContact OE1-CB 3.48Å; E126-S147 PolarHBondContact OE1-OG 2.93Å; E126-S147 PolarHBondContact OE2-N 2.98Å; E126-S147 PolarHBondContact OE2-OG 3.24Å |
| 127 | S | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.7 | 176 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | F43 V141 R157 | F43-S127 PolarHBondContact N-O 3.27Å; F43-S127 VanDerWaalsContact N-O 3.11Å; S127-V141 WeakPolarHBondContact CA-O 3.43Å; S127-R157 PolarHBondContact OG-NH2 3.1Å |
| 128 | Y | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 161.2 | -174.1 | 55.3 | -86.2 | 0 | 0 | 0 | 112.6 | I41 F88 Q89 G90 I130 V141 | I41-Y128 CarbonylContact O-C 3.52Å; I41-Y128 WeakPolarHBondContact O-CA 3.49Å; I41-Y128 WeakPolarHBondContact O-CB 3.32Å; F88-Y128 HydrophobicContact CD1-CD1 4.14Å; F88-Y128 AromaticContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CD2 3.86Å; F88-Y128 HydrophobicContact CD1-CE1 4.23Å; F88-Y128 AromaticContact CD1-CE2 3.91Å; F88-Y128 HydrophobicContact CD1-CE2 3.91Å; F88-Y128 AromaticContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CD1-CG 3.97Å; F88-Y128 HydrophobicContact CE1-CD1 4.03Å; F88-Y128 HydrophobicContact CE1-CD2 4.49Å; F88-Y128 HydrophobicContact CE1-CE1 4.31Å; F88-Y128 HydrophobicContact CE1-CG 4.13Å; F88-Y128 WeakPolarHBondContact O-CE2 3.42Å; F88-Y128 VanDerWaalsContact O-CZ 3.25Å; F88-Y128 PolarHBondContact O-OH 2.89Å; Q89-Y128 WeakPolarHBondContact CA-OH 3.43Å; Q89-Y128 PolarHBondContact O-OH 3.22Å; G90-Y128 PolarHBondContact N-OH 2.87Å; Y128-I130 HydrophobicContact CD2-CD1 4.19Å; Y128-I130 HydrophobicContact CD2-CG1 4.06Å; Y128-I130 HydrophobicContact CE2-CD1 3.76Å; Y128-I130 HydrophobicContact CE2-CG1 4.16Å; Y128-V141 HydrophobicContact CD1-CB 4.34Å; Y128-V141 HydrophobicContact CD2-CB 3.97Å; Y128-V141 HydrophobicContact CD2-CG2 4.08Å; Y128-V141 HydrophobicContact CE1-CB 3.95Å; Y128-V141 HydrophobicContact CE1-CG1 3.85Å; Y128-V141 HydrophobicContact CE2-CB 3.58Å; Y128-V141 HydrophobicContact CE2-CG1 4.06Å; Y128-V141 HydrophobicContact CE2-CG2 3.53Å; Y128-V141 HydrophobicContact CG-CB 4.35Å; Y128-V141 PolarHBondContact N-O 2.9Å; Y128-V141 PolarHBondContact O-N 2.7Å; Y128-V141 WeakPolarHBondContact OH-CG1 3.39Å |
| 129 | V | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 168.7 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | I17 L21 I41 F43 T139 L140 L165 | I17-V129 HydrophobicContact CD1-CG1 4.27Å; I17-V129 HydrophobicContact CG2-CB 3.93Å; I17-V129 HydrophobicContact CG2-CG1 3.88Å; I17-V129 HydrophobicContact CG2-CG2 4.17Å; L21-V129 HydrophobicContact CD1-CG2 3.8Å; I41-V129 HydrophobicContact CB-CB 4.43Å; I41-V129 PolarHBondContact N-O 3.32Å; I41-V129 PolarHBondContact O-N 2.98Å; F43-V129 HydrophobicContact CE1-CG2 4.14Å; V129-T139 WeakPolarHBondContact CA-O 3.44Å; V129-L140 HydrophobicContact CG2-CB 4.33Å; V129-L140 HydrophobicContact CG2-CD1 3.69Å; V129-L165 HydrophobicContact CG2-CD1 4.09Å |
| 130 | I | 96.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.4 | 165.8 | -67.1 | 159.3 | 0 | 0 | 0 | 107.9 | A39 I40 L86 I87 F88 Y128 S138 T139 | A39-I130 CarbonylContact O-C 3.58Å; A39-I130 WeakPolarHBondContact O-CA 3.32Å; I40-I130 HydrophobicContact CG1-CG1 4.46Å; L86-I130 HydrophobicContact CB-CD1 4.33Å; L86-I130 HydrophobicContact CD2-CD1 4.03Å; I87-I130 HydrophobicContact CD1-CG2 3.72Å; I87-I130 HydrophobicContact CG1-CD1 3.81Å; I87-I130 HydrophobicContact CG1-CG1 4.18Å; I87-I130 HydrophobicContact CG1-CG2 3.95Å; F88-I130 HydrophobicContact CB-CD1 4.29Å; Y128-I130 HydrophobicContact CD2-CD1 4.19Å; Y128-I130 HydrophobicContact CD2-CG1 4.06Å; Y128-I130 HydrophobicContact CE2-CD1 3.76Å; Y128-I130 HydrophobicContact CE2-CG1 4.16Å; I130-S138 CarbonylContact O-C 3.51Å; I130-S138 WeakPolarHBondContact O-CA 3.34Å; I130-T139 PolarHBondContact N-O 2.74Å; I130-T139 PolarHBondContact O-N 2.98Å |
| 131 | Y | 95.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109 | 174.1 | 179.8 | -121 | 0 | 0 | 0 | 110 | L12 T14 I17 Y38 A39 K133 Q136 I137 S138 | L12-Y131 WeakPolarHBondContact O-CE2 3.25Å; L12-Y131 PolarHBondContact O-OH 2.61Å; L12-Y131 VanDerWaalsContact O-OH 3.07Å; T14-Y131 WeakPolarHBondContact OG1-CD1 3Å; I17-Y131 HydrophobicContact CD1-CD2 3.87Å; I17-Y131 HydrophobicContact CD1-CG 3.84Å; Y38-Y131 CarbonylContact C-O 3.55Å; Y38-Y131 WeakPolarHBondContact CA-O 3.29Å; A39-Y131 PolarHBondContact N-O 3.06Å; A39-Y131 PolarHBondContact O-N 2.98Å; Y131-K133 HydrophobicContact CD1-CG 3.62Å; Y131-K133 HydrophobicContact CE1-CB 4.35Å; Y131-K133 HydrophobicContact CE1-CG 3.62Å; Y131-K133 PolarHBondContact O-N 3.22Å; Y131-Q136 PolarHBondContact OH-NE2 3.02Å; Y131-Q136 PolarHBondContact OH-OE1 2.78Å; Y131-I137 WeakPolarHBondContact CA-O 3.11Å; Y131-S138 WeakPolarHBondContact CD2-OG 3.28Å |
| 132 | D | 92.8 | Very high | 94.1 | Very high | 35 Ų | 35 | 24 Ų | 24 | 19% | 0.187 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 106.6 | 170.9 | -176.9 | -33.7 | 0 | 0 | 0 | 108.1 | Q134 K135 Q136 I137 | D132-Q134 VanDerWaalsContact C-N 3.32Å; D132-Q134 PolarHBondContact O-N 2.83Å; D132-Q134 PolarHBondContact OD1-N 3.25Å; D132-Q134 VanDerWaalsContact OD1-N 3.08Å; D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 PolarHBondContact O-N 3.11Å; D132-K135 PolarHBondContact OD1-N 3.06Å; D132-K135 VanDerWaalsContact OD2-CD 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.34Å; D132-K135 WeakPolarHBondContact OD2-CE 3.5Å; D132-K135 WeakPolarHBondContact OD2-CG 3.13Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; D132-Q136 VanDerWaalsContact O-CA 3.27Å; D132-Q136 WeakPolarHBondContact O-CA 3.25Å; D132-Q136 PolarHBondContact O-N 2.63Å; D132-I137 PolarHBondContact N-O 3.28Å; D132-I137 PolarHBondContact O-N 2.96Å |
| 133 | K | 89.4 | Confident | 93.9 | Very high | 26 Ų | 26 | 24 Ų | 24 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.5 | -173.6 | -66 | 161.7 | 176.9 | 171 | 0 | 112.3 | E30 D37 Y38 Y131 Q136 | E30-K133 WeakPolarHBondContact OE2-CE 3.42Å; E30-K133 IonicContact OE2-NZ 2.77Å; E30-K133 PolarHBondContact OE2-NZ 3.15Å; D37-K133 WeakPolarHBondContact O-CB 3.2Å; D37-K133 PolarHBondContact O-N 3.38Å; D37-K133 WeakPolarHBondContact OD1-CD 3.42Å; D37-K133 IonicContact OD1-NZ 2.65Å; D37-K133 PolarHBondContact OD1-NZ 3.01Å; Y38-K133 PolarHBondContact O-NZ 3.31Å; Y131-K133 HydrophobicContact CD1-CG 3.62Å; Y131-K133 HydrophobicContact CE1-CB 4.35Å; Y131-K133 HydrophobicContact CE1-CG 3.62Å; Y131-K133 PolarHBondContact O-N 3.22Å; K133-Q136 PolarHBondContact O-NE2 2.62Å |
| 134 | Q | 85.8 | Confident | 93.7 | Very high | 120 Ų | 120 | 24.7 Ų | 24.7 | 56% | 0.561 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -43.1 | 177.7 | -61.7 | -176.1 | -3.5 | 0 | 0 | 110.4 | D37 D132 | D37-Q134 HydrophobicContact CB-CG 4.07Å; D132-Q134 VanDerWaalsContact C-N 3.32Å; D132-Q134 PolarHBondContact O-N 2.83Å; D132-Q134 PolarHBondContact OD1-N 3.25Å; D132-Q134 VanDerWaalsContact OD1-N 3.08Å |
| 135 | K | 87 | Confident | 93.5 | Very high | 140 Ų | 140 | 24.7 Ų | 24.7 | 61% | 0.609 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -14.4 | 179.4 | -57.7 | -172.2 | -166.5 | 109.8 | 0 | 113.7 | D132 I137 | D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 PolarHBondContact O-N 3.11Å; D132-K135 PolarHBondContact OD1-N 3.06Å; D132-K135 VanDerWaalsContact OD2-CD 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.34Å; D132-K135 WeakPolarHBondContact OD2-CE 3.5Å; D132-K135 WeakPolarHBondContact OD2-CG 3.13Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; K135-I137 VanDerWaalsContact C-N 3.29Å; K135-I137 HydrophobicContact CB-CB 4.38Å; K135-I137 HydrophobicContact CB-CD1 3.69Å; K135-I137 HydrophobicContact CB-CG1 3.7Å; K135-I137 HydrophobicContact CD-CD1 4.06Å; K135-I137 WeakPolarHBondContact O-CG1 3.49Å; K135-I137 PolarHBondContact O-N 3.2Å |
| 136 | Q | 87.4 | Confident | 93.3 | Very high | 91 Ų | 91 | 26.4 Ų | 26.4 | 43% | 0.425 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 41.4 | -172.4 | -61.5 | -77.2 | -59.8 | 0 | 0 | 111.9 | Y131 D132 K133 | Y131-Q136 PolarHBondContact OH-NE2 3.02Å; Y131-Q136 PolarHBondContact OH-OE1 2.78Å; D132-Q136 VanDerWaalsContact O-CA 3.27Å; D132-Q136 WeakPolarHBondContact O-CA 3.25Å; D132-Q136 PolarHBondContact O-N 2.63Å; K133-Q136 PolarHBondContact O-NE2 2.62Å |
| 137 | I | 91.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 28.3 Ų | 28.3 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.6 | -178.1 | -56.8 | 179.4 | 0 | 0 | 0 | 109.1 | E6 F8 Y131 D132 K135 | E6-I137 HydrophobicContact CB-CG2 4.34Å; E6-I137 HydrophobicContact CG-CG2 4.38Å; F8-I137 HydrophobicContact CD1-CD1 4.41Å; F8-I137 HydrophobicContact CD1-CG1 3.94Å; F8-I137 HydrophobicContact CE1-CB 4.39Å; F8-I137 HydrophobicContact CE1-CD1 3.42Å; F8-I137 VanDerWaalsContact CE1-CD1 3.42Å; F8-I137 HydrophobicContact CE1-CG1 3.41Å; F8-I137 VanDerWaalsContact CE1-CG1 3.41Å; F8-I137 HydrophobicContact CE1-CG2 4.25Å; F8-I137 HydrophobicContact CZ-CD1 3.79Å; F8-I137 HydrophobicContact CZ-CG1 4.07Å; F8-I137 HydrophobicContact CZ-CG2 4.17Å; Y131-I137 WeakPolarHBondContact CA-O 3.11Å; D132-I137 PolarHBondContact N-O 3.28Å; D132-I137 PolarHBondContact O-N 2.96Å; K135-I137 VanDerWaalsContact C-N 3.29Å; K135-I137 HydrophobicContact CB-CB 4.38Å; K135-I137 HydrophobicContact CB-CD1 3.69Å; K135-I137 HydrophobicContact CB-CG1 3.7Å; K135-I137 HydrophobicContact CD-CD1 4.06Å; K135-I137 WeakPolarHBondContact O-CG1 3.49Å; K135-I137 PolarHBondContact O-N 3.2Å |
| 138 | S | 94.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.2 | 170.8 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | E6 I7 I17 I130 Y131 | E6-S138 CarbonylContact C-O 3.59Å; E6-S138 WeakPolarHBondContact CA-O 3.31Å; I7-S138 PolarHBondContact N-O 2.69Å; I7-S138 PolarHBondContact O-N 3.14Å; I7-S138 VanDerWaalsContact O-N 3.13Å; I17-S138 WeakPolarHBondContact CD1-OG 3.24Å; I130-S138 CarbonylContact O-C 3.51Å; I130-S138 WeakPolarHBondContact O-CA 3.34Å; Y131-S138 WeakPolarHBondContact CD2-OG 3.28Å |
| 139 | T | 95.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 37 Ų | 37 | 13% | 0.129 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 104.5 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 109 | L86 V129 I130 V141 | L86-T139 HydrophobicContact CD2-CG2 3.94Å; V129-T139 WeakPolarHBondContact CA-O 3.44Å; I130-T139 PolarHBondContact N-O 2.74Å; I130-T139 PolarHBondContact O-N 2.98Å; T139-V141 HydrophobicContact CG2-CG2 4.08Å |
| 140 | L | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.5 | 172.9 | 174.6 | 62 | 0 | 0 | 0 | 109.4 | T4 K5 I7 F43 V129 M158 L161 L165 | T4-L140 CarbonylContact C-O 3.57Å; T4-L140 WeakPolarHBondContact CA-O 3.48Å; K5-L140 HydrophobicContact CB-CB 4.49Å; K5-L140 PolarHBondContact N-O 2.74Å; K5-L140 PolarHBondContact O-N 3.48Å; I7-L140 HydrophobicContact CD1-CB 4.3Å; I7-L140 HydrophobicContact CD1-CD2 4.49Å; F43-L140 HydrophobicContact CE1-CD1 4.43Å; F43-L140 HydrophobicContact CZ-CD1 3.89Å; V129-L140 HydrophobicContact CG2-CB 4.33Å; V129-L140 HydrophobicContact CG2-CD1 3.69Å; L140-M158 HydrophobicContact CB-SD 4.35Å; L140-M158 HydrophobicContact CD2-SD 3.44Å; L140-M158 WeakPolarHBondContact CD2-SD 3.26Å; L140-M158 HydrophobicContact CG-SD 3.65Å; L140-L161 HydrophobicContact CD1-CB 4.45Å; L140-L161 HydrophobicContact CD2-CB 3.93Å; L140-L165 HydrophobicContact CD2-CD1 4.3Å |
| 141 | V | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.2 | -179.6 | -171.2 | 0 | 0 | 0 | 0 | 110 | K3 T4 L86 S127 Y128 T139 | K3-V141 WeakPolarHBondContact O-CA 3.37Å; T4-V141 HydrophobicContact CG2-CG1 4.15Å; T4-V141 HydrophobicContact CG2-CG2 4.06Å; L86-V141 HydrophobicContact CD1-CG1 4.34Å; L86-V141 HydrophobicContact CD1-CG2 4.01Å; L86-V141 HydrophobicContact CD2-CG2 4.19Å; S127-V141 WeakPolarHBondContact CA-O 3.43Å; Y128-V141 HydrophobicContact CD1-CB 4.34Å; Y128-V141 HydrophobicContact CD2-CB 3.97Å; Y128-V141 HydrophobicContact CD2-CG2 4.08Å; Y128-V141 HydrophobicContact CE1-CB 3.95Å; Y128-V141 HydrophobicContact CE1-CG1 3.85Å; Y128-V141 HydrophobicContact CE2-CB 3.58Å; Y128-V141 HydrophobicContact CE2-CG1 4.06Å; Y128-V141 HydrophobicContact CE2-CG2 3.53Å; Y128-V141 HydrophobicContact CG-CB 4.35Å; Y128-V141 PolarHBondContact N-O 2.9Å; Y128-V141 PolarHBondContact O-N 2.7Å; Y128-V141 WeakPolarHBondContact OH-CG1 3.39Å; T139-V141 HydrophobicContact CG2-CG2 4.08Å |
| 142 | I | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.5 | 170.4 | -57 | -175.9 | 0 | 0 | 0 | 107.7 | R2 K3 M154 R157 M158 L161 | R2-I142 CarbonylContact C-O 3.6Å; R2-I142 WeakPolarHBondContact CA-O 3.45Å; K3-I142 PolarHBondContact N-O 2.7Å; K3-I142 PolarHBondContact O-N 3.35Å; I142-M154 HydrophobicContact CG2-CB 4.18Å; I142-M154 HydrophobicContact CG2-CE 4.14Å; I142-M154 HydrophobicContact CG2-CG 4.17Å; I142-M154 WeakPolarHBondContact O-CE 3.42Å; I142-R157 HydrophobicContact CD1-CB 3.73Å; I142-M158 HydrophobicContact CB-CE 4.25Å; I142-M158 HydrophobicContact CD1-CB 3.82Å; I142-M158 HydrophobicContact CD1-CE 4.24Å; I142-M158 HydrophobicContact CD1-SD 4.26Å; I142-M158 HydrophobicContact CG1-CE 4Å; I142-M158 HydrophobicContact CG1-SD 4.44Å; I142-L161 HydrophobicContact CD1-CD1 3.71Å; I142-L161 HydrophobicContact CG1-CD1 4.37Å |
| 143 | G | 93.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 172.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 E126 | M1-G143 WeakPolarHBondContact O-CA 3.43Å; E126-G143 VanDerWaalsContact CD-O 3.3Å; E126-G143 WeakPolarHBondContact O-CA 3.31Å; E126-G143 PolarHBondContact O-N 2.97Å |
| 144 | N | 93.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | trans | -137.5 | 21.9 | 170.6 | 70.5 | -13 | 0 | 0 | 0 | 112 | M1 E126 Y146 K148 D149 M154 | M1-N144 WeakPolarHBondContact CA-OD1 3.44Å; M1-N144 WeakPolarHBondContact CB-OD1 3.25Å; M1-N144 PolarHBondContact N-OD1 2.83Å; M1-N144 PolarHBondContact O-N 3.49Å; M1-N144 VanDerWaalsContact O-N 3.16Å; M1-N144 PolarHBondContact O-OD1 3.13Å; E126-N144 VanDerWaalsContact OE2-CA 3.27Å; E126-N144 WeakPolarHBondContact OE2-CA 3.43Å; N144-Y146 PolarHBondContact O-N 3.15Å; N144-K148 PolarHBondContact O-N 3.31Å; N144-K148 VanDerWaalsContact O-N 3.14Å; N144-D149 HydrophobicContact CB-CB 4.12Å; N144-D149 PolarHBondContact ND2-O 2.77Å; N144-M154 HydrophobicContact CB-CE 4.36Å; N144-M154 HydrophobicContact CB-CG 4.48Å; N144-M154 HydrophobicContact CB-SD 3.67Å | ||
| 145 | S | 92.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.9 | -175.1 | -51 | 0 | 0 | 0 | 0 | 110.7 | E80 E126 K148 | E80-S145 VanDerWaalsContact CD-OG 3.26Å; E80-S145 PolarHBondContact OE1-OG 3.28Å; E80-S145 PolarHBondContact OE2-OG 2.71Å; E126-S145 PolarHBondContact OE2-N 3.24Å; S145-K148 PolarHBondContact O-NZ 2.81Å |
| 146 | Y | 93.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -44.7 | 178.5 | -46.7 | -69.5 | 0 | 0 | 0 | 113.4 | V76 V78 G91 L124 Y125 E126 N144 K148 Q396 | V76-Y146 PolarHBondContact O-OH 3.44Å; V78-Y146 HydrophobicContact CG2-CD1 4.32Å; V78-Y146 HydrophobicContact CG2-CE1 3.62Å; G91-Y146 WeakPolarHBondContact CA-OH 3.23Å; L124-Y146 HydrophobicContact CD1-CD1 4.35Å; L124-Y146 HydrophobicContact CD1-CD2 4.38Å; L124-Y146 HydrophobicContact CD1-CE1 3.8Å; L124-Y146 HydrophobicContact CD1-CE2 3.88Å; L124-Y146 HydrophobicContact CD2-CD1 3.61Å; L124-Y146 HydrophobicContact CD2-CD2 4.16Å; L124-Y146 HydrophobicContact CD2-CE1 3.89Å; L124-Y146 HydrophobicContact CD2-CE2 4.45Å; L124-Y146 HydrophobicContact CD2-CG 3.74Å; L124-Y146 HydrophobicContact CG-CD1 4.12Å; L124-Y146 HydrophobicContact CG-CD2 3.9Å; L124-Y146 HydrophobicContact CG-CE1 4.07Å; L124-Y146 HydrophobicContact CG-CE2 3.9Å; L124-Y146 HydrophobicContact CG-CG 4.02Å; Y125-Y146 WeakPolarHBondContact O-CE2 3.23Å; E126-Y146 HydrophobicContact CB-CD2 3.96Å; E126-Y146 HydrophobicContact CB-CE2 4.36Å; E126-Y146 HydrophobicContact CG-CD2 4.49Å; E126-Y146 PolarHBondContact OE2-N 3.33Å; N144-Y146 PolarHBondContact O-N 3.15Å; Y146-K148 PolarHBondContact O-N 3.3Å; Y146-Q396 WeakPolarHBondContact OH-CB 3.21Å |
| 147 | S | 92 | Very high | 93.6 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 30% | 0.301 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -26.3 | -175.7 | 62.4 | 0 | 0 | 0 | 0 | 114.5 | E126 D149 | E126-S147 WeakPolarHBondContact OE1-CB 3.48Å; E126-S147 PolarHBondContact OE1-OG 2.93Å; E126-S147 PolarHBondContact OE2-N 2.98Å; E126-S147 PolarHBondContact OE2-OG 3.24Å; S147-D149 PolarHBondContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.29Å; S147-D149 PolarHBondContact OG-N 2.71Å; S147-D149 VanDerWaalsContact OG-N 3.15Å |
| 148 | K | 91.1 | Very high | 93.7 | Very high | 153 Ų | 153 | 48 Ų | 48 | 67% | 0.665 | 23% | 0.232 | S | C | * | . | trans | 59 | 27.3 | -168.3 | -46.9 | -54.1 | -176.2 | -166.5 | 0 | 113.6 | N144 S145 Y146 | N144-K148 PolarHBondContact O-N 3.31Å; N144-K148 VanDerWaalsContact O-N 3.14Å; S145-K148 PolarHBondContact O-NZ 2.81Å; Y146-K148 PolarHBondContact O-N 3.3Å | ||
| 149 | D | 91.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | trans | -52.6 | 143.2 | 172 | -90.2 | -12.5 | 0 | 0 | 0 | 112.2 | N144 S147 Q153 M154 R157 | N144-D149 HydrophobicContact CB-CB 4.12Å; N144-D149 PolarHBondContact ND2-O 2.77Å; S147-D149 PolarHBondContact O-N 3.17Å; S147-D149 WeakPolarHBondContact OG-CB 3.29Å; S147-D149 PolarHBondContact OG-N 2.71Å; S147-D149 VanDerWaalsContact OG-N 3.15Å; D149-Q153 HydrophobicContact CB-CB 4.32Å; D149-Q153 PolarHBondContact OD1-NE2 3.09Å; D149-M154 HydrophobicContact CB-CG 4.18Å; D149-R157 IonicContact OD2-NH1 2.86Å; D149-R157 PolarHBondContact OD2-NH1 2.84Å | ||
| 150 | S | 94.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | trans | -71.8 | 156.7 | 174.2 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | I152 Q153 M154 | S150-I152 PolarHBondContact O-N 3.5Å; S150-I152 VanDerWaalsContact O-N 3.16Å; S150-Q153 WeakPolarHBondContact O-CB 3.44Å; S150-Q153 PolarHBondContact O-N 2.82Å; S150-Q153 WeakPolarHBondContact OG-CG 3.48Å; S150-Q153 PolarHBondContact OG-N 2.98Å; S150-Q153 PolarHBondContact OG-OE1 3.41Å; S150-M154 PolarHBondContact O-N 2.77Å | ||
| 151 | E | 93.2 | Very high | 93.4 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.2 | -35.9 | 176.8 | -177.4 | 167.7 | -161.6 | 0 | 0 | 113.2 | M1 K3 M154 N155 | M1-E151 HydrophobicContact CE-CB 3.68Å; M1-E151 HydrophobicContact CE-CG 3.79Å; M1-E151 HydrophobicContact SD-CG 4.48Å; K3-E151 WeakPolarHBondContact CE-OE1 3.49Å; K3-E151 IonicContact NZ-OE1 2.72Å; K3-E151 PolarHBondContact NZ-OE1 2.77Å; E151-M154 PolarHBondContact O-N 2.94Å; E151-N155 WeakPolarHBondContact O-CB 3.15Å; E151-N155 VanDerWaalsContact O-CG 3.31Å; E151-N155 PolarHBondContact O-N 3.04Å; E151-N155 PolarHBondContact O-ND2 2.97Å |
| 152 | I | 93.8 | Very high | 93.3 | Very high | 142 Ų | 142 | 56.9 Ų | 56.9 | 73% | 0.728 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 177.7 | -62.1 | 173.7 | 0 | 0 | 0 | 110.6 | S150 R156 | S150-I152 PolarHBondContact O-N 3.5Å; S150-I152 VanDerWaalsContact O-N 3.16Å; I152-R156 WeakPolarHBondContact O-CB 3.21Å; I152-R156 PolarHBondContact O-N 3.14Å; I152-R156 VanDerWaalsContact O-N 3.1Å |
| 153 | Q | 93.3 | Very high | 93.1 | Very high | 91 Ų | 91 | 62.3 Ų | 62.3 | 43% | 0.425 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176.5 | -70.9 | 164.2 | -78.5 | 0 | 0 | 111 | D149 S150 N155 R156 R157 | D149-Q153 HydrophobicContact CB-CB 4.32Å; D149-Q153 PolarHBondContact OD1-NE2 3.09Å; S150-Q153 WeakPolarHBondContact O-CB 3.44Å; S150-Q153 PolarHBondContact O-N 2.82Å; S150-Q153 WeakPolarHBondContact OG-CG 3.48Å; S150-Q153 PolarHBondContact OG-N 2.98Å; S150-Q153 PolarHBondContact OG-OE1 3.41Å; Q153-N155 PolarHBondContact O-N 2.93Å; Q153-R156 PolarHBondContact O-N 3.4Å; Q153-R157 WeakPolarHBondContact O-CG 3.36Å; Q153-R157 PolarHBondContact O-N 2.96Å |
| 154 | M | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 179 | -65.4 | 175.8 | 69.6 | 0 | 0 | 112.5 | M1 K3 I142 N144 D149 S150 E151 R156 R157 M158 | M1-M154 HydrophobicContact CE-CE 3.98Å; M1-M154 HydrophobicContact CE-SD 3.25Å; M1-M154 WeakPolarHBondContact CE-SD 3.43Å; M1-M154 WeakPolarHBondContact O-CE 3.27Å; K3-M154 HydrophobicContact CB-CE 4.42Å; K3-M154 HydrophobicContact CG-CB 4.44Å; K3-M154 HydrophobicContact CG-CE 3.96Å; I142-M154 HydrophobicContact CG2-CB 4.18Å; I142-M154 HydrophobicContact CG2-CE 4.14Å; I142-M154 HydrophobicContact CG2-CG 4.17Å; I142-M154 WeakPolarHBondContact O-CE 3.42Å; N144-M154 HydrophobicContact CB-CE 4.36Å; N144-M154 HydrophobicContact CB-CG 4.48Å; N144-M154 HydrophobicContact CB-SD 3.67Å; D149-M154 HydrophobicContact CB-CG 4.18Å; S150-M154 PolarHBondContact O-N 2.77Å; E151-M154 PolarHBondContact O-N 2.94Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 2.96Å; M154-R157 PolarHBondContact O-N 2.73Å; M154-M158 WeakPolarHBondContact O-CB 3.47Å; M154-M158 PolarHBondContact O-N 3.46Å |
| 155 | N | 93.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 66.5 Ų | 66.5 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.9 | -73.4 | -27.8 | 0 | 0 | 0 | 111.7 | K3 E151 Q153 M158 T159 | K3-N155 WeakPolarHBondContact CE-OD1 3.34Å; E151-N155 WeakPolarHBondContact O-CB 3.15Å; E151-N155 VanDerWaalsContact O-CG 3.31Å; E151-N155 PolarHBondContact O-N 3.04Å; E151-N155 PolarHBondContact O-ND2 2.97Å; Q153-N155 PolarHBondContact O-N 2.93Å; N155-M158 WeakPolarHBondContact O-CB 3.48Å; N155-M158 PolarHBondContact O-N 3.19Å; N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 VanDerWaalsContact O-N 3.14Å; N155-T159 PolarHBondContact O-OG1 3.22Å |
| 156 | R | 94.2 | Very high | 92.6 | Very high | 168 Ų | 168 | 70.5 Ų | 70.5 | 63% | 0.634 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.5 | -49.1 | 175.3 | 179.7 | 179.6 | 170.5 | -177 | -4 | 111.4 | I152 Q153 M154 M158 T159 E160 | I152-R156 WeakPolarHBondContact O-CB 3.21Å; I152-R156 PolarHBondContact O-N 3.14Å; I152-R156 VanDerWaalsContact O-N 3.1Å; Q153-R156 PolarHBondContact O-N 3.4Å; M154-R156 VanDerWaalsContact C-N 3.32Å; M154-R156 PolarHBondContact O-N 2.96Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.14Å; R156-T159 PolarHBondContact O-N 3.49Å; R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.42Å; R156-E160 IonicContact NE-OE1 3.15Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.9Å |
| 157 | R | 93.3 | Very high | 92.2 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.8 | -41 | 176.5 | -71 | 178.4 | 75.5 | -172.8 | -0.5 | 111.3 | D44 S127 I142 D149 Q153 M154 T159 E160 L161 | D44-R157 VanDerWaalsContact CB-NH2 3.32Å; D44-R157 IonicContact OD2-CZ 3.68Å; D44-R157 IonicContact OD2-NH2 3.63Å; D44-R157 PolarHBondContact OD2-NH2 3.29Å; S127-R157 PolarHBondContact OG-NH2 3.1Å; I142-R157 HydrophobicContact CD1-CB 3.73Å; D149-R157 IonicContact OD2-NH1 2.86Å; D149-R157 PolarHBondContact OD2-NH1 2.84Å; Q153-R157 WeakPolarHBondContact O-CG 3.36Å; Q153-R157 PolarHBondContact O-N 2.96Å; M154-R157 PolarHBondContact O-N 2.73Å; R157-T159 PolarHBondContact O-N 3.34Å; R157-E160 PolarHBondContact O-N 2.95Å; R157-L161 HydrophobicContact CB-CD1 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 WeakPolarHBondContact O-CD1 3.41Å; R157-L161 VanDerWaalsContact O-CG 3.29Å; R157-L161 WeakPolarHBondContact O-CG 3.21Å; R157-L161 PolarHBondContact O-N 3.45Å |
| 158 | M | 94.1 | Very high | 91.5 | Very high | 17 Ų | 17 | 75.2 Ų | 75.2 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57 | -49.9 | 177.4 | -175.2 | 67.6 | 77.3 | 0 | 0 | 111.5 | K3 K5 L140 I142 M154 N155 R156 L161 E162 | K3-M158 VanDerWaalsContact C-CE 3.46Å; K3-M158 HydrophobicContact CB-CE 3.54Å; K3-M158 WeakPolarHBondContact O-CE 3.47Å; K5-M158 HydrophobicContact CB-CE 4.27Å; K5-M158 HydrophobicContact CB-CG 4.47Å; K5-M158 HydrophobicContact CB-SD 3.63Å; L140-M158 HydrophobicContact CB-SD 4.35Å; L140-M158 HydrophobicContact CD2-SD 3.44Å; L140-M158 WeakPolarHBondContact CD2-SD 3.26Å; L140-M158 HydrophobicContact CG-SD 3.65Å; I142-M158 HydrophobicContact CB-CE 4.25Å; I142-M158 HydrophobicContact CD1-CB 3.82Å; I142-M158 HydrophobicContact CD1-CE 4.24Å; I142-M158 HydrophobicContact CD1-SD 4.26Å; I142-M158 HydrophobicContact CG1-CE 4Å; I142-M158 HydrophobicContact CG1-SD 4.44Å; M154-M158 WeakPolarHBondContact O-CB 3.47Å; M154-M158 PolarHBondContact O-N 3.46Å; N155-M158 WeakPolarHBondContact O-CB 3.48Å; N155-M158 PolarHBondContact O-N 3.19Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.14Å; M158-L161 PolarHBondContact O-N 3.39Å; M158-E162 VanDerWaalsContact O-CB 3.3Å; M158-E162 WeakPolarHBondContact O-CB 3.38Å; M158-E162 PolarHBondContact O-N 3.26Å |
| 159 | T | 93.7 | Very high | 90.3 | Very high | 73 Ų | 73 | 72.1 Ų | 72.1 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | N155 R156 R157 Q163 | N155-T159 PolarHBondContact O-N 2.95Å; N155-T159 VanDerWaalsContact O-N 3.14Å; N155-T159 PolarHBondContact O-OG1 3.22Å; R156-T159 PolarHBondContact O-N 3.49Å; R157-T159 PolarHBondContact O-N 3.34Å; T159-Q163 WeakPolarHBondContact O-CG 3.36Å; T159-Q163 PolarHBondContact O-N 3.24Å; T159-Q163 VanDerWaalsContact O-N 3.14Å |
| 160 | E | 93.2 | Very high | 89.6 | Confident | 79 Ų | 79 | 78 Ų | 78 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 178.8 | -71.6 | 172.7 | 178.9 | 0 | 0 | 111.8 | R156 R157 Q163 K164 | R156-E160 WeakPolarHBondContact CG-OE1 3.49Å; R156-E160 IonicContact CZ-OE1 3.42Å; R156-E160 IonicContact NE-OE1 3.15Å; R156-E160 PolarHBondContact NE-OE1 2.85Å; R156-E160 IonicContact NH2-OE1 3.6Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 WeakPolarHBondContact O-CG 3.36Å; R156-E160 PolarHBondContact O-N 2.9Å; R157-E160 PolarHBondContact O-N 2.95Å; E160-Q163 PolarHBondContact O-N 2.65Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 2.95Å |
| 161 | L | 92.9 | Very high | 89.1 | Confident | 9 Ų | 9 | 76.5 Ų | 76.5 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.6 | -39.5 | 180 | -71.5 | 162.2 | 0 | 0 | 0 | 112.5 | L21 F43 L140 I142 R157 M158 Q163 K164 L165 | L21-L161 HydrophobicContact CD2-CD2 3.6Å; F43-L161 HydrophobicContact CD2-CD2 4.29Å; F43-L161 HydrophobicContact CE2-CD1 3.55Å; F43-L161 HydrophobicContact CE2-CD2 3.62Å; F43-L161 HydrophobicContact CE2-CG 4.23Å; F43-L161 HydrophobicContact CZ-CD1 3.93Å; F43-L161 HydrophobicContact CZ-CD2 4.15Å; L140-L161 HydrophobicContact CD1-CB 4.45Å; L140-L161 HydrophobicContact CD2-CB 3.93Å; I142-L161 HydrophobicContact CD1-CD1 3.71Å; I142-L161 HydrophobicContact CG1-CD1 4.37Å; R157-L161 HydrophobicContact CB-CD1 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.47Å; R157-L161 WeakPolarHBondContact O-CD1 3.41Å; R157-L161 VanDerWaalsContact O-CG 3.29Å; R157-L161 WeakPolarHBondContact O-CG 3.21Å; R157-L161 PolarHBondContact O-N 3.45Å; M158-L161 PolarHBondContact O-N 3.39Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 3.01Å; L161-K164 HydrophobicContact CD2-CD 4.44Å; L161-K164 PolarHBondContact O-N 3.24Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.3Å |
| 162 | E | 92.2 | Very high | 88.7 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 171.7 | -178.4 | 177 | -154.3 | 0 | 0 | 110.5 | K5 I7 M158 L165 L166 | K5-E162 WeakPolarHBondContact CE-OE1 3.46Å; K5-E162 IonicContact NZ-OE1 3.81Å; I7-E162 HydrophobicContact CD1-CG 4.14Å; M158-E162 VanDerWaalsContact O-CB 3.3Å; M158-E162 WeakPolarHBondContact O-CB 3.38Å; M158-E162 PolarHBondContact O-N 3.26Å; E162-L165 PolarHBondContact O-N 2.79Å; E162-L166 HydrophobicContact CG-CD1 4.24Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.93Å |
| 163 | Q | 91.3 | Very high | 87.9 | Confident | 114 Ų | 114 | 73.9 Ų | 73.9 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.8 | -73.2 | 178 | -2.8 | 0 | 0 | 113 | T159 E160 L161 L166 Q167 | T159-Q163 WeakPolarHBondContact O-CG 3.36Å; T159-Q163 PolarHBondContact O-N 3.24Å; T159-Q163 VanDerWaalsContact O-N 3.14Å; E160-Q163 PolarHBondContact O-N 2.65Å; L161-Q163 VanDerWaalsContact C-N 3.27Å; L161-Q163 PolarHBondContact O-N 3.01Å; Q163-L166 PolarHBondContact O-N 3.28Å; Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.42Å; Q163-Q167 PolarHBondContact O-N 3.39Å |
| 164 | K | 91.4 | Very high | 87 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.5 | -77.7 | -177.9 | 177.6 | -176.1 | 0 | 111.8 | E160 L161 L166 Q167 | E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 2.95Å; L161-K164 HydrophobicContact CD2-CD 4.44Å; L161-K164 PolarHBondContact O-N 3.24Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 2.76Å; K164-Q167 PolarHBondContact O-N 2.93Å |
| 165 | L | 91.4 | Very high | 85.7 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | 178.7 | -75.6 | 170.7 | 0 | 0 | 0 | 112 | I7 L12 I17 L21 V129 L140 L161 E162 Q167 | I7-L165 HydrophobicContact CD1-CD1 3.82Å; L12-L165 HydrophobicContact CD2-CB 4.31Å; L12-L165 HydrophobicContact CD2-CD2 4.43Å; L12-L165 WeakPolarHBondContact CD2-O 3.31Å; I17-L165 HydrophobicContact CB-CD2 4.34Å; I17-L165 HydrophobicContact CG1-CD2 4.39Å; I17-L165 HydrophobicContact CG2-CD2 3.92Å; L21-L165 HydrophobicContact CD1-CD2 3.7Å; L21-L165 HydrophobicContact CD1-CG 4.36Å; L21-L165 HydrophobicContact CD2-CD2 4.16Å; L21-L165 HydrophobicContact CD2-CG 4.22Å; L21-L165 HydrophobicContact CG-CD2 3.77Å; L21-L165 HydrophobicContact CG-CG 4.38Å; V129-L165 HydrophobicContact CG2-CD1 4.09Å; L140-L165 HydrophobicContact CD2-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 3.3Å; E162-L165 PolarHBondContact O-N 2.79Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.13Å |
| 166 | L | 87.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.4 | -178.9 | -64 | 172.9 | 0 | 0 | 0 | 114.1 | I7 D9 E162 Q163 K164 | I7-L166 HydrophobicContact CG2-CD2 4.09Å; D9-L166 HydrophobicContact CB-CD2 4.28Å; E162-L166 HydrophobicContact CG-CD1 4.24Å; E162-L166 WeakPolarHBondContact O-CG 3.41Å; E162-L166 PolarHBondContact O-N 2.93Å; Q163-L166 PolarHBondContact O-N 3.28Å; K164-L166 VanDerWaalsContact C-N 3.29Å; K164-L166 PolarHBondContact O-N 2.76Å |
| 167 | Q | 85.5 | Confident | 83.2 | Confident | 145 Ų | 145 | 72.4 Ų | 72.4 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -34.6 | -179.2 | -80 | 171.9 | 28.1 | 0 | 0 | 113.7 | Q163 K164 L165 S169 | Q163-Q167 VanDerWaalsContact O-CG 3.29Å; Q163-Q167 WeakPolarHBondContact O-CG 3.42Å; Q163-Q167 PolarHBondContact O-N 3.39Å; K164-Q167 PolarHBondContact O-N 2.93Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.13Å; Q167-S169 PolarHBondContact O-N 3.3Å |
| 168 | V | 75.8 | Confident | 82.2 | Confident | 33 Ų | 33 | 76.4 Ų | 76.4 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | trans | -87.3 | 108.5 | -176.1 | -177 | 0 | 0 | 0 | 0 | 110 | Y19 S20 | Y19-V168 HydrophobicContact CD1-CG1 4.04Å; S20-V168 WeakPolarHBondContact OG-CB 3.29Å; S20-V168 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 169 | S | 66.8 | Low | 81.7 | Confident | 88 Ų | 88 | 76.6 Ų | 76.6 | 62% | 0.615 | 40% | 0.399 | S | S | * | . | trans | -105.9 | -14.1 | 175.5 | 52 | 0 | 0 | 0 | 0 | 113.7 | Q167 | Q167-S169 PolarHBondContact O-N 3.3Š| ||
| 170 | K | 76.5 | Confident | 81.2 | Confident | 156 Ų | 156 | 81.2 Ų | 81.2 | 68% | 0.678 | 42% | 0.416 | S | S | * | . | trans | -145 | 131.1 | -177.3 | -165.2 | -177.7 | 176.1 | -167.7 | 0 | 111.3 | ||||
| 171 | L | 84.3 | Confident | 81.1 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 153.2 | 171.9 | -64.4 | 170.3 | 0 | 0 | 0 | 110.6 | E15 T16 Y19 | E15-L171 HydrophobicContact CB-CD1 3.51Å; T16-L171 HydrophobicContact CG2-CD1 4.19Å; T16-L171 HydrophobicContact CG2-CD2 4.39Å; T16-L171 HydrophobicContact CG2-CG 4.03Å; Y19-L171 HydrophobicContact CD1-CD2 3.89Å; Y19-L171 HydrophobicContact CD2-CD2 3.74Å; Y19-L171 HydrophobicContact CG-CD2 3.36Å |
| 172 | P | 83.1 | Confident | 81.1 | Confident | 59 Ų | 59 | 83.5 Ų | 83.5 | 38% | 0.383 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 152.3 | 167.6 | -20.3 | 31.9 | 0 | 0 | 0 | 111.8 | Y19 R228 | Y19-P172 HydrophobicContact CE2-CG 3.86Å; Y19-P172 VanDerWaalsContact CZ-CD 3.5Å; Y19-P172 WeakPolarHBondContact OH-CG 3.28Å; P172-R228 PolarHBondContact O-NH1 3.5Å |
| 173 | D | 76.8 | Confident | 81.1 | Confident | 127 Ų | 127 | 83.1 Ų | 83.1 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 144.8 | 174.1 | -61.2 | -26.9 | 0 | 0 | 0 | 109.8 | E175 | D173-E175 PolarHBondContact O-N 3.45Š|
| 174 | L | 76.2 | Confident | 81.3 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | trans | -79.3 | 115.1 | -178.9 | -72.4 | 168.9 | 0 | 0 | 0 | 110.1 | N225 R228 E450 | L174-N225 HydrophobicContact CD2-CB 3.77Å; L174-R228 HydrophobicContact CD2-CB 4.03Å; L174-E450 HydrophobicContact CD1-CB 4.31Å | ||
| 175 | E | 65.8 | Low | 81.5 | Confident | 160 Ų | 160 | 75.3 Ų | 75.3 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | trans | -105 | 123.3 | 164.4 | -70.5 | -174.7 | 178 | 0 | 0 | 108.9 | D173 | D173-E175 PolarHBondContact O-N 3.45Š| ||
| 176 | M | 71.4 | Confident | 81.6 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | trans | -134.6 | 120 | -177.2 | -72.5 | -62.6 | -48.4 | 0 | 0 | 110 | N225 Y226 | M176-N225 HydrophobicContact SD-CB 4.01Å; M176-Y226 HydrophobicContact CE-CD2 3.57Å; M176-Y226 HydrophobicContact CE-CG 4.18Å | ||
| 177 | P | 64.2 | Low | 82 | Confident | 54 Ų | 54 | 76.9 Ų | 76.9 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 158.2 | 175.7 | 31.8 | -37.2 | 0 | 0 | 0 | 110.1 | L179 T221 | P177-L179 HydrophobicContact CG-CD2 4.18Å; P177-L179 PolarHBondContact O-N 3Å; P177-T221 HydrophobicContact CG-CG2 3.76Å |
| 178 | T | 72.2 | Confident | 82.5 | Confident | 133 Ų | 133 | 76.1 Ų | 76.1 | 82% | 0.816 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 122.6 | 161.8 | -51.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 179 | L | 82.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.11 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 120.9 | 177.4 | -62.2 | 175.4 | 0 | 0 | 0 | 109.4 | P177 F181 A217 E218 F219 Y226 M409 | P177-L179 HydrophobicContact CG-CD2 4.18Å; P177-L179 PolarHBondContact O-N 3Å; L179-F181 HydrophobicContact CB-CD2 3.96Å; L179-F181 HydrophobicContact CB-CE2 3.41Å; L179-F181 VanDerWaalsContact CB-CE2 3.41Å; L179-F181 HydrophobicContact CB-CZ 4.12Å; L179-F181 HydrophobicContact CD1-CE2 3.84Å; L179-F181 HydrophobicContact CD1-CZ 3.88Å; L179-F181 HydrophobicContact CG-CE2 4.29Å; L179-A217 HydrophobicContact CB-CB 4.07Å; L179-E218 VanDerWaalsContact CD2-O 3.28Å; L179-E218 WeakPolarHBondContact CD2-O 3.46Å; L179-F219 HydrophobicContact CD1-CD2 3.84Å; L179-F219 HydrophobicContact CD1-CE2 4.03Å; L179-F219 HydrophobicContact CD2-CD2 3.8Å; L179-F219 HydrophobicContact CD2-CE2 4.47Å; L179-F219 HydrophobicContact CG-CD2 4.49Å; L179-Y226 HydrophobicContact CD1-CE2 4.28Å; L179-M409 HydrophobicContact CD1-CE 4.24Å |
| 180 | E | 84.5 | Confident | 84.9 | Confident | 170 Ų | 170 | 75.2 Ų | 75.2 | 79% | 0.794 | 40% | 0.397 | S | S | * | . | trans | -92 | 100.8 | 174.9 | -67.9 | -172.5 | 176.1 | 0 | 0 | 110.2 | A217 | E180-A217 WeakPolarHBondContact O-CB 3.3Š| ||
| 181 | F | 90.6 | Very high | 85.9 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | trans | -84.6 | 138.5 | -178.4 | -76.8 | -87.9 | 0 | 0 | 0 | 112.7 | L179 L215 S216 A217 M409 A416 V418 M445 | L179-F181 HydrophobicContact CB-CD2 3.96Å; L179-F181 HydrophobicContact CB-CE2 3.41Å; L179-F181 VanDerWaalsContact CB-CE2 3.41Å; L179-F181 HydrophobicContact CB-CZ 4.12Å; L179-F181 HydrophobicContact CD1-CE2 3.84Å; L179-F181 HydrophobicContact CD1-CZ 3.88Å; L179-F181 HydrophobicContact CG-CE2 4.29Å; F181-L215 HydrophobicContact CB-CB 4.17Å; F181-L215 HydrophobicContact CB-CD2 4.34Å; F181-L215 HydrophobicContact CD1-CB 3.94Å; F181-L215 HydrophobicContact CG-CB 4.42Å; F181-S216 CarbonylContact C-O 3.59Å; F181-S216 WeakPolarHBondContact CA-O 3.34Å; F181-A217 HydrophobicContact CD1-CB 3.69Å; F181-A217 HydrophobicContact CD2-CB 4.04Å; F181-A217 HydrophobicContact CE1-CB 3.73Å; F181-A217 HydrophobicContact CE2-CB 4.1Å; F181-A217 HydrophobicContact CG-CB 3.84Å; F181-A217 HydrophobicContact CZ-CB 3.93Å; F181-M409 HydrophobicContact CZ-CE 3.78Å; F181-A416 HydrophobicContact CE1-CB 4.44Å; F181-A416 HydrophobicContact CZ-CB 4.44Å; F181-V418 HydrophobicContact CE1-CB 4.44Å; F181-V418 HydrophobicContact CE1-CG2 4.02Å; F181-V418 HydrophobicContact CZ-CG2 4.24Å; F181-M445 HydrophobicContact CB-CG 4.5Å; F181-M445 HydrophobicContact CB-SD 3.68Å; F181-M445 HydrophobicContact CD1-CG 4.46Å; F181-M445 HydrophobicContact CD1-SD 4.44Å; F181-M445 HydrophobicContact CD2-CB 3.76Å; F181-M445 HydrophobicContact CD2-CG 3.44Å; F181-M445 VanDerWaalsContact CD2-CG 3.44Å; F181-M445 HydrophobicContact CD2-SD 3.76Å; F181-M445 HydrophobicContact CE2-CB 3.86Å; F181-M445 HydrophobicContact CE2-CG 3.64Å; F181-M445 HydrophobicContact CG-CG 3.88Å; F181-M445 HydrophobicContact CG-SD 3.7Å; F181-M445 HydrophobicContact CZ-CG 4.26Å | ||
| 182 | T | 92.3 | Very high | 86.6 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.8 | 171.8 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | L215 S216 | T182-L215 CarbonylContact O-C 3.53Å; T182-L215 VanDerWaalsContact O-CA 3.28Å; T182-L215 WeakPolarHBondContact O-CA 3.26Å; T182-S216 PolarHBondContact N-O 3.21Å; T182-S216 PolarHBondContact O-N 2.69Å; T182-S216 PolarHBondContact OG1-O 2.92Å |
| 183 | S | 93.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 147.8 | 178.9 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | L185 Q213 | S183-L185 WeakPolarHBondContact CB-O 3.39Å; S183-L185 PolarHBondContact O-N 2.86Å; S183-L185 PolarHBondContact OG-N 2.79Å; S183-L185 VanDerWaalsContact OG-N 3.17Å; S183-L185 PolarHBondContact OG-O 2.79Å; S183-Q213 PolarHBondContact OG-OE1 2.83Å |
| 184 | N | 94.9 | Very high | 88.3 | Confident | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -74 | -10.7 | 169.8 | 76.1 | -44 | 0 | 0 | 0 | 113.7 | R214 | N184-R214 PolarHBondContact N-O 3.02Å; N184-R214 PolarHBondContact OD1-N 3.29Å; N184-R214 PolarHBondContact OD1-O 3.39Å; N184-R214 VanDerWaalsContact OD1-O 3.11Å |
| 185 | L | 94.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -128.4 | 136 | 176.4 | -65.2 | 175.2 | 0 | 0 | 0 | 109.7 | S183 E189 F190 I193 Q213 T381 | S183-L185 WeakPolarHBondContact CB-O 3.39Å; S183-L185 PolarHBondContact O-N 2.86Å; S183-L185 PolarHBondContact OG-N 2.79Å; S183-L185 VanDerWaalsContact OG-N 3.17Å; S183-L185 PolarHBondContact OG-O 2.79Å; L185-E189 HydrophobicContact CB-CB 4.43Å; L185-E189 HydrophobicContact CD2-CB 4.14Å; L185-F190 HydrophobicContact CD1-CD2 4Å; L185-I193 HydrophobicContact CD1-CD1 3.82Å; L185-Q213 HydrophobicContact CD1-CB 4.16Å; L185-T381 HydrophobicContact CD2-CG2 4.36Å |
| 186 | S | 94.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 38% | 0.378 | 32% | 0.322 | S | S | . | . | trans | -69.9 | 160.9 | 164.3 | 66 | 0 | 0 | 0 | 0 | 110.9 | I188 E189 F190 | S186-I188 PolarHBondContact O-N 2.91Å; S186-E189 VanDerWaalsContact CB-OE2 3.3Å; S186-E189 WeakPolarHBondContact CB-OE2 3.22Å; S186-E189 PolarHBondContact N-OE2 3.04Å; S186-E189 PolarHBondContact O-N 2.92Å; S186-E189 VanDerWaalsContact O-N 3.14Å; S186-E189 VanDerWaalsContact OG-CD 3.29Å; S186-E189 VanDerWaalsContact OG-CG 3.28Å; S186-E189 WeakPolarHBondContact OG-CG 3.44Å; S186-E189 PolarHBondContact OG-N 2.89Å; S186-E189 PolarHBondContact OG-OE2 2.96Å; S186-F190 PolarHBondContact O-N 3.44Å | ||
| 187 | Q | 95.8 | Very high | 92.1 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -52.1 | -44.7 | 173.1 | 179.1 | 176.2 | -8.4 | 0 | 0 | 112 | E189 F190 E191 Y434 | Q187-E189 VanDerWaalsContact C-N 3.33Å; Q187-E189 PolarHBondContact O-N 2.91Å; Q187-F190 PolarHBondContact O-N 2.89Å; Q187-E191 HydrophobicContact CG-CG 4.23Å; Q187-E191 PolarHBondContact NE2-OE1 2.84Å; Q187-E191 WeakPolarHBondContact O-CB 3.1Å; Q187-E191 VanDerWaalsContact O-CG 3.25Å; Q187-E191 WeakPolarHBondContact O-CG 3.36Å; Q187-E191 PolarHBondContact O-N 2.77Å; Q187-Y434 HydrophobicContact CB-CD1 4.1Å; Q187-Y434 HydrophobicContact CB-CD2 4.35Å; Q187-Y434 HydrophobicContact CB-CE1 3.73Å; Q187-Y434 HydrophobicContact CB-CE2 4.01Å; Q187-Y434 HydrophobicContact CB-CG 4.38Å; Q187-Y434 HydrophobicContact CG-CD1 3.62Å; Q187-Y434 HydrophobicContact CG-CD2 4.38Å; Q187-Y434 HydrophobicContact CG-CE1 3.73Å; Q187-Y434 HydrophobicContact CG-CE2 4.48Å; Q187-Y434 HydrophobicContact CG-CG 3.95Å |
| 188 | I | 96.2 | Very high | 93.6 | Very high | 130 Ų | 130 | 58.7 Ų | 58.7 | 67% | 0.667 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -42 | -178.7 | -63.5 | 174 | 0 | 0 | 0 | 111 | S186 A192 | S186-I188 PolarHBondContact O-N 2.91Å; I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.28Å |
| 189 | E | 96.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 179.3 | -71.1 | 163.8 | 134.3 | 0 | 0 | 111.7 | L185 S186 Q187 A192 I193 | L185-E189 HydrophobicContact CB-CB 4.43Å; L185-E189 HydrophobicContact CD2-CB 4.14Å; S186-E189 VanDerWaalsContact CB-OE2 3.3Å; S186-E189 WeakPolarHBondContact CB-OE2 3.22Å; S186-E189 PolarHBondContact N-OE2 3.04Å; S186-E189 PolarHBondContact O-N 2.92Å; S186-E189 VanDerWaalsContact O-N 3.14Å; S186-E189 VanDerWaalsContact OG-CD 3.29Å; S186-E189 VanDerWaalsContact OG-CG 3.28Å; S186-E189 WeakPolarHBondContact OG-CG 3.44Å; S186-E189 PolarHBondContact OG-N 2.89Å; S186-E189 PolarHBondContact OG-OE2 2.96Å; Q187-E189 VanDerWaalsContact C-N 3.33Å; Q187-E189 PolarHBondContact O-N 2.91Å; E189-A192 WeakPolarHBondContact O-CB 3.26Å; E189-A192 PolarHBondContact O-N 3.37Å; E189-I193 PolarHBondContact O-N 3.18Å; E189-I193 VanDerWaalsContact O-N 3.12Å |
| 190 | F | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.6 | -168 | -90.7 | 0 | 0 | 0 | 111.4 | L185 S186 Q187 A192 I193 V194 P211 Q213 E433 Y434 T437 | L185-F190 HydrophobicContact CD1-CD2 4Å; S186-F190 PolarHBondContact O-N 3.44Å; Q187-F190 PolarHBondContact O-N 2.89Å; F190-A192 PolarHBondContact O-N 3.16Å; F190-I193 WeakPolarHBondContact O-CB 3.26Å; F190-I193 PolarHBondContact O-N 3.03Å; F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.27Å; F190-V194 PolarHBondContact O-N 3.13Å; F190-P211 HydrophobicContact CZ-CG 4.5Å; F190-Q213 HydrophobicContact CD2-CB 4.07Å; F190-Q213 HydrophobicContact CD2-CG 4.4Å; F190-Q213 HydrophobicContact CE2-CB 4.25Å; F190-Q213 HydrophobicContact CE2-CG 4.43Å; F190-E433 HydrophobicContact CE1-CB 4.46Å; F190-Y434 HydrophobicContact CB-CD2 3.85Å; F190-Y434 HydrophobicContact CD1-CD2 4.08Å; F190-Y434 HydrophobicContact CD1-CG 4.47Å; F190-Y434 HydrophobicContact CG-CD2 4.08Å; F190-T437 HydrophobicContact CE1-CG2 4.13Å; F190-T437 HydrophobicContact CE2-CG2 4.27Å; F190-T437 HydrophobicContact CZ-CG2 3.61Å |
| 191 | E | 97.8 | Very high | 96 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -32.8 | 175.2 | -72.7 | -174.5 | -176.7 | 0 | 0 | 112.4 | Q187 V194 R195 P430 T431 | Q187-E191 HydrophobicContact CG-CG 4.23Å; Q187-E191 PolarHBondContact NE2-OE1 2.84Å; Q187-E191 WeakPolarHBondContact O-CB 3.1Å; Q187-E191 VanDerWaalsContact O-CG 3.25Å; Q187-E191 WeakPolarHBondContact O-CG 3.36Å; Q187-E191 PolarHBondContact O-N 2.77Å; E191-V194 PolarHBondContact O-N 3.37Å; E191-R195 VanDerWaalsContact C-NH1 3.33Å; E191-R195 VanDerWaalsContact CB-NH1 3.31Å; E191-R195 WeakPolarHBondContact O-CG 3.34Å; E191-R195 PolarHBondContact O-N 2.98Å; E191-R195 PolarHBondContact O-NH1 2.89Å; E191-R195 IonicContact OE2-CZ 2.79Å; E191-R195 IonicContact OE2-NH1 2.7Å; E191-R195 IonicContact OE2-NH2 3.89Å; E191-R195 PolarHBondContact OE2-NH2 3.3Å; E191-P430 HydrophobicContact CB-CB 3.76Å; E191-P430 HydrophobicContact CG-CB 3.75Å; E191-T431 WeakPolarHBondContact OE1-CA 3.25Å; E191-T431 WeakPolarHBondContact OE1-CB 3.45Å; E191-T431 PolarHBondContact OE1-OG1 3.25Å |
| 192 | A | 97.7 | Very high | 96.2 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I188 E189 F190 R195 Q196 | I188-A192 WeakPolarHBondContact O-CB 3.43Å; I188-A192 PolarHBondContact O-N 3.28Å; E189-A192 WeakPolarHBondContact O-CB 3.26Å; E189-A192 PolarHBondContact O-N 3.37Å; F190-A192 PolarHBondContact O-N 3.16Å; A192-R195 PolarHBondContact O-N 3.16Å; A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 2.87Å |
| 193 | I | 97.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 172 | -64.1 | 171.3 | 0 | 0 | 0 | 110.2 | L185 E189 F190 R195 Q196 A197 P211 W379 | L185-I193 HydrophobicContact CD1-CD1 3.82Å; E189-I193 PolarHBondContact O-N 3.18Å; E189-I193 VanDerWaalsContact O-N 3.12Å; F190-I193 WeakPolarHBondContact O-CB 3.26Å; F190-I193 PolarHBondContact O-N 3.03Å; I193-R195 VanDerWaalsContact C-N 3.35Å; I193-R195 PolarHBondContact O-N 3.45Å; I193-Q196 PolarHBondContact O-N 3.25Å; I193-A197 WeakPolarHBondContact O-CB 3.45Å; I193-A197 PolarHBondContact O-N 2.7Å; I193-P211 HydrophobicContact CG2-CB 3.64Å; I193-P211 HydrophobicContact CG2-CG 4.06Å; I193-W379 HydrophobicContact CD1-CB 4.47Å; I193-W379 HydrophobicContact CG1-CB 4.28Å; I193-W379 HydrophobicContact CG2-CB 3.93Å; I193-W379 HydrophobicContact CG2-CD2 4.35Å; I193-W379 HydrophobicContact CG2-CE3 4.15Å; I193-W379 HydrophobicContact CG2-CG 4.29Å |
| 194 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 177.3 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | F190 E191 Q196 A197 K198 I424 P430 E433 | F190-V194 HydrophobicContact CD1-CG2 3.96Å; F190-V194 HydrophobicContact CE1-CG2 3.77Å; F190-V194 WeakPolarHBondContact O-CG2 3.27Å; F190-V194 PolarHBondContact O-N 3.13Å; E191-V194 PolarHBondContact O-N 3.37Å; V194-Q196 PolarHBondContact O-N 3.22Å; V194-A197 PolarHBondContact O-N 3.11Å; V194-K198 HydrophobicContact CG1-CD 4.39Å; V194-K198 HydrophobicContact CG1-CG 4.5Å; V194-K198 WeakPolarHBondContact O-CG 3.44Å; V194-K198 PolarHBondContact O-N 3.2Å; V194-I424 HydrophobicContact CB-CD1 4.38Å; V194-I424 HydrophobicContact CG1-CD1 3.9Å; V194-I424 HydrophobicContact CG1-CG1 4.41Å; V194-I424 HydrophobicContact CG1-CG2 3.99Å; V194-I424 HydrophobicContact CG2-CD1 3.79Å; V194-I424 HydrophobicContact CG2-CG1 4.4Å; V194-P430 HydrophobicContact CB-CB 4.12Å; V194-P430 HydrophobicContact CB-CG 4.37Å; V194-P430 HydrophobicContact CG1-CB 4.13Å; V194-P430 HydrophobicContact CG1-CG 4.02Å; V194-E433 HydrophobicContact CG1-CG 4.29Å; V194-E433 HydrophobicContact CG2-CB 4.14Å |
| 195 | R | 98.2 | Very high | 96.3 | Very high | 111 Ų | 111 | 58.6 Ų | 58.6 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.8 | -69.7 | 176.1 | -165.7 | 99.8 | 3.9 | 111.8 | E191 A192 I193 A197 K198 E199 P430 | E191-R195 VanDerWaalsContact C-NH1 3.33Å; E191-R195 VanDerWaalsContact CB-NH1 3.31Å; E191-R195 WeakPolarHBondContact O-CG 3.34Å; E191-R195 PolarHBondContact O-N 2.98Å; E191-R195 PolarHBondContact O-NH1 2.89Å; E191-R195 IonicContact OE2-CZ 2.79Å; E191-R195 IonicContact OE2-NH1 2.7Å; E191-R195 IonicContact OE2-NH2 3.89Å; E191-R195 PolarHBondContact OE2-NH2 3.3Å; A192-R195 PolarHBondContact O-N 3.16Å; I193-R195 VanDerWaalsContact C-N 3.35Å; I193-R195 PolarHBondContact O-N 3.45Å; R195-A197 PolarHBondContact O-N 3.29Å; R195-K198 PolarHBondContact O-N 3.26Å; R195-E199 WeakPolarHBondContact O-CG 3.06Å; R195-E199 PolarHBondContact O-N 3.22Å; R195-P430 HydrophobicContact CG-CG 3.89Å |
| 196 | Q | 97.2 | Very high | 96.3 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.7 | -72.1 | 178.8 | 54.5 | 0 | 0 | 112.3 | A192 I193 V194 K198 E199 R200 W379 | A192-Q196 WeakPolarHBondContact O-CG 3.37Å; A192-Q196 PolarHBondContact O-N 2.87Å; I193-Q196 PolarHBondContact O-N 3.25Å; V194-Q196 PolarHBondContact O-N 3.22Å; Q196-K198 VanDerWaalsContact C-N 3.35Å; Q196-K198 PolarHBondContact O-N 3.08Å; Q196-E199 WeakPolarHBondContact O-CB 3.3Å; Q196-E199 PolarHBondContact O-N 2.75Å; Q196-R200 WeakPolarHBondContact O-CG 3.39Å; Q196-R200 PolarHBondContact O-N 3.33Å; Q196-R200 VanDerWaalsContact O-N 3.08Å; Q196-W379 HydrophobicContact CB-CZ2 4.29Å; Q196-W379 VanDerWaalsContact OE1-NE1 3.16Å |
| 197 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I193 V194 R195 E199 R200 I201 V209 W379 I424 | I193-A197 WeakPolarHBondContact O-CB 3.45Å; I193-A197 PolarHBondContact O-N 2.7Å; V194-A197 PolarHBondContact O-N 3.11Å; R195-A197 PolarHBondContact O-N 3.29Å; A197-E199 PolarHBondContact O-N 2.67Å; A197-R200 PolarHBondContact O-N 3.17Å; A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 2.99Å; A197-V209 HydrophobicContact CB-CG1 3.52Å; A197-W379 VanDerWaalsContact CA-CH2 3.49Å; A197-W379 HydrophobicContact CB-CH2 3.85Å; A197-W379 HydrophobicContact CB-CZ3 3.74Å; A197-I424 HydrophobicContact CB-CB 4.1Å; A197-I424 HydrophobicContact CB-CG1 4.37Å; A197-I424 HydrophobicContact CB-CG2 3.78Å |
| 198 | K | 97.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.5 | -68.7 | -176.2 | 73.2 | 171.4 | 0 | 112.8 | V194 R195 Q196 R200 I201 V202 I424 Y426 S428 | V194-K198 HydrophobicContact CG1-CD 4.39Å; V194-K198 HydrophobicContact CG1-CG 4.5Å; V194-K198 WeakPolarHBondContact O-CG 3.44Å; V194-K198 PolarHBondContact O-N 3.2Å; R195-K198 PolarHBondContact O-N 3.26Å; Q196-K198 VanDerWaalsContact C-N 3.35Å; Q196-K198 PolarHBondContact O-N 3.08Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 2.99Å; K198-I201 PolarHBondContact O-N 3.41Å; K198-V202 WeakPolarHBondContact O-CG2 3.33Å; K198-V202 PolarHBondContact O-N 2.79Å; K198-I424 HydrophobicContact CG-CG2 3.93Å; K198-Y426 WeakPolarHBondContact CE-O 3.41Å; K198-Y426 PolarHBondContact NZ-O 3.46Å; K198-S428 VanDerWaalsContact CD-O 3.3Å; K198-S428 WeakPolarHBondContact CD-O 3.32Å; K198-S428 WeakPolarHBondContact CE-O 3.46Å; K198-S428 PolarHBondContact NZ-O 2.98Å |
| 199 | E | 97 | Very high | 95.9 | Very high | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 174.6 | -71.5 | 169.9 | -174.5 | 0 | 0 | 111.2 | R195 Q196 A197 I201 V202 E203 | R195-E199 WeakPolarHBondContact O-CG 3.06Å; R195-E199 PolarHBondContact O-N 3.22Å; Q196-E199 WeakPolarHBondContact O-CB 3.3Å; Q196-E199 PolarHBondContact O-N 2.75Å; A197-E199 PolarHBondContact O-N 2.67Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 2.71Å; E199-V202 PolarHBondContact O-N 2.54Å; E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.83Å |
| 200 | R | 97.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 48.3 Ų | 48.3 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 176 | -65.2 | -47.6 | 176.3 | -171.6 | -9.6 | 113.4 | Q196 A197 K198 E203 G204 D205 V206 W379 | Q196-R200 WeakPolarHBondContact O-CG 3.39Å; Q196-R200 PolarHBondContact O-N 3.33Å; Q196-R200 VanDerWaalsContact O-N 3.08Å; A197-R200 PolarHBondContact O-N 3.17Å; K198-R200 VanDerWaalsContact C-N 3.33Å; K198-R200 PolarHBondContact O-N 2.99Å; R200-E203 VanDerWaalsContact CD-OE2 3.32Å; R200-E203 WeakPolarHBondContact CD-OE2 3.39Å; R200-E203 IonicContact CZ-OE2 3.94Å; R200-E203 IonicContact NE-OE2 3.52Å; R200-E203 IonicContact NH1-OE1 2.69Å; R200-E203 IonicContact NH1-OE2 2.88Å; R200-E203 PolarHBondContact NH1-OE2 3.04Å; R200-E203 PolarHBondContact O-N 3.11Å; R200-G204 PolarHBondContact O-N 3.3Å; R200-D205 HydrophobicContact CB-CB 4.03Å; R200-D205 VanDerWaalsContact O-CB 3.25Å; R200-D205 WeakPolarHBondContact O-CB 3.37Å; R200-D205 PolarHBondContact O-N 3.41Å; R200-V206 HydrophobicContact CB-CG2 4.3Å; R200-W379 HydrophobicContact CB-CH2 4.41Å; R200-W379 HydrophobicContact CG-CH2 4.05Å; R200-W379 HydrophobicContact CG-CZ2 3.75Å |
| 201 | I | 94.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 175.5 | -66.6 | 161.6 | 0 | 0 | 0 | 111 | A197 K198 E199 E203 G204 V206 I424 | A197-I201 VanDerWaalsContact O-CG1 3.29Å; A197-I201 WeakPolarHBondContact O-CG1 3.36Å; A197-I201 PolarHBondContact O-N 2.99Å; K198-I201 PolarHBondContact O-N 3.41Å; E199-I201 VanDerWaalsContact C-N 3.32Å; E199-I201 PolarHBondContact O-N 2.71Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.32Å; I201-G204 PolarHBondContact O-N 3.02Å; I201-V206 VanDerWaalsContact CA-O 3.26Å; I201-V206 WeakPolarHBondContact CA-O 3.26Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; I201-V206 WeakPolarHBondContact CG1-O 3.31Å; I201-I424 HydrophobicContact CD1-CG2 4.2Å; I201-I424 VanDerWaalsContact CD1-O 3.29Å; I201-I424 WeakPolarHBondContact CD1-O 3.41Å |
| 202 | V | 94.9 | Very high | 95.9 | Very high | 122 Ų | 122 | 47.6 Ų | 47.6 | 74% | 0.739 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -64.3 | -34.7 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | K198 E199 G204 | K198-V202 WeakPolarHBondContact O-CG2 3.33Å; K198-V202 PolarHBondContact O-N 2.79Å; E199-V202 PolarHBondContact O-N 2.54Å; V202-G204 PolarHBondContact O-N 3.41Å |
| 203 | E | 95.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 46 Ų | 46 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9.5 | 174.3 | -70.7 | 174.4 | 172.9 | 0 | 0 | 113.8 | E199 R200 I201 D205 | E199-E203 WeakPolarHBondContact O-CG 3.44Å; E199-E203 PolarHBondContact O-N 2.83Å; R200-E203 VanDerWaalsContact CD-OE2 3.32Å; R200-E203 WeakPolarHBondContact CD-OE2 3.39Å; R200-E203 IonicContact CZ-OE2 3.94Å; R200-E203 IonicContact NE-OE2 3.52Å; R200-E203 IonicContact NH1-OE1 2.69Å; R200-E203 IonicContact NH1-OE2 2.88Å; R200-E203 PolarHBondContact NH1-OE2 3.04Å; R200-E203 PolarHBondContact O-N 3.11Å; I201-E203 VanDerWaalsContact C-N 3.29Å; I201-E203 PolarHBondContact O-N 3.32Å; E203-D205 VanDerWaalsContact C-N 3.34Å |
| 204 | G | 92.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 62% | 0.619 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 19.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R200 I201 V202 | R200-G204 PolarHBondContact O-N 3.3Å; I201-G204 PolarHBondContact O-N 3.02Å; V202-G204 PolarHBondContact O-N 3.41Å |
| 205 | D | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -76.6 | -37.8 | -179.8 | -172.5 | 54.4 | 0 | 0 | 0 | 112.1 | R200 E203 R371 R375 | R200-D205 HydrophobicContact CB-CB 4.03Å; R200-D205 VanDerWaalsContact O-CB 3.25Å; R200-D205 WeakPolarHBondContact O-CB 3.37Å; R200-D205 PolarHBondContact O-N 3.41Å; E203-D205 VanDerWaalsContact C-N 3.34Å; D205-R371 VanDerWaalsContact O-CG 3.23Å; D205-R371 WeakPolarHBondContact O-CG 3.15Å; D205-R371 IonicContact OD1-CZ 3.63Å; D205-R371 IonicContact OD1-NE 3.9Å; D205-R371 PolarHBondContact OD1-NE 2.89Å; D205-R371 IonicContact OD1-NH2 2.69Å; D205-R371 PolarHBondContact OD1-NH2 3.08Å; D205-R371 IonicContact OD2-CZ 2.64Å; D205-R371 IonicContact OD2-NE 3.6Å; D205-R371 PolarHBondContact OD2-NE 3.26Å; D205-R371 IonicContact OD2-NH2 3.47Å; D205-R371 PolarHBondContact OD2-NH2 3.45Å; D205-R375 IonicContact OD1-NH2 2.96Å; D205-R375 IonicContact OD2-CZ 2.63Å; D205-R375 IonicContact OD2-NE 3.05Å; D205-R375 PolarHBondContact OD2-NE 3Å; D205-R375 IonicContact OD2-NH2 3.54Å; D205-R375 PolarHBondContact OD2-NH2 3Å |
| 206 | V | 93.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | trans | -142.6 | 152.6 | 172.5 | -67 | 0 | 0 | 0 | 0 | 109.3 | R200 I201 V209 A367 R371 A372 | R200-V206 HydrophobicContact CB-CG2 4.3Å; I201-V206 VanDerWaalsContact CA-O 3.26Å; I201-V206 WeakPolarHBondContact CA-O 3.26Å; I201-V206 HydrophobicContact CG1-CG2 3.8Å; I201-V206 WeakPolarHBondContact CG1-O 3.31Å; V206-V209 HydrophobicContact CG2-CB 4.3Å; V206-V209 HydrophobicContact CG2-CG1 4.28Å; V206-A367 CarbonylContact C-O 3.58Å; V206-R371 HydrophobicContact CG1-CB 4.12Å; V206-R371 HydrophobicContact CG1-CG 3.73Å; V206-A372 HydrophobicContact CG1-CB 4.27Å | ||
| 207 | F | 89.8 | Confident | 95.4 | Very high | 139 Ų | 139 | 38.4 Ų | 38.4 | 61% | 0.61 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -84.6 | -38 | 169.4 | -57 | -68.3 | 0 | 0 | 0 | 111.5 | M302 A367 P368 | F207-M302 HydrophobicContact CB-SD 4.29Å; F207-A367 HydrophobicContact CD2-CB 4.44Å; F207-A367 PolarHBondContact N-O 3.13Å; F207-P368 HydrophobicContact CD2-CG 4.3Å; F207-P368 HydrophobicContact CE2-CG 4.14Å |
| 208 | Q | 91.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.023 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 148.8 | 177.8 | 177.3 | 175.8 | -55.2 | 0 | 0 | 109.5 | M302 G366 A367 I424 V425 | Q208-M302 HydrophobicContact CB-CE 3.93Å; Q208-M302 HydrophobicContact CB-SD 4.3Å; Q208-M302 HydrophobicContact CG-CE 4.38Å; Q208-M302 VanDerWaalsContact OE1-CE 3.29Å; Q208-G366 CarbonylContact O-C 3.41Å; Q208-G366 VanDerWaalsContact O-CA 3.25Å; Q208-G366 WeakPolarHBondContact O-CA 3.29Å; Q208-A367 PolarHBondContact N-O 3.49Å; Q208-A367 PolarHBondContact O-N 3.41Å; Q208-I424 WeakPolarHBondContact CA-O 3.32Å; Q208-V425 HydrophobicContact CB-CG1 4.4Å; Q208-V425 HydrophobicContact CG-CG1 4.29Å |
| 209 | V | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 143 | 171.6 | 58.8 | 0 | 0 | 0 | 0 | 109.9 | A197 V206 P211 A372 I376 W379 I424 | A197-V209 HydrophobicContact CB-CG1 3.52Å; V206-V209 HydrophobicContact CG2-CB 4.3Å; V206-V209 HydrophobicContact CG2-CG1 4.28Å; V209-P211 VanDerWaalsContact C-CD 3.46Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; V209-A372 HydrophobicContact CB-CB 4.27Å; V209-A372 HydrophobicContact CG2-CB 4.14Å; V209-I376 HydrophobicContact CG2-CD1 4.18Å; V209-I376 HydrophobicContact CG2-CG1 3.83Å; V209-W379 HydrophobicContact CB-CZ3 4.33Å; V209-W379 HydrophobicContact CG1-CH2 4.25Å; V209-W379 HydrophobicContact CG1-CZ3 3.72Å; V209-W379 HydrophobicContact CG2-CE3 4.48Å; V209-W379 HydrophobicContact CG2-CZ3 3.8Å; V209-I424 HydrophobicContact CG1-CB 4.3Å; V209-I424 PolarHBondContact N-O 3.2Å; V209-I424 WeakPolarHBondContact O-CB 3.43Å; V209-I424 PolarHBondContact O-N 2.97Å |
| 210 | V | 96.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | trans | -114.4 | 77.7 | -173.3 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | S365 R384 A422 | V210-S365 PolarHBondContact N-O 3.5Å; V210-R384 PolarHBondContact O-NH2 3.17Å; V210-A422 WeakPolarHBondContact CA-O 3.34Å | ||
| 211 | P | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -67.1 | 155.9 | 170.3 | 31.7 | -35.9 | 0 | 0 | 0 | 111.5 | F190 I193 V209 G421 A422 I424 | F190-P211 HydrophobicContact CZ-CG 4.5Å; I193-P211 HydrophobicContact CG2-CB 3.64Å; I193-P211 HydrophobicContact CG2-CG 4.06Å; V209-P211 VanDerWaalsContact C-CD 3.46Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-G421 WeakPolarHBondContact O-CA 3.48Å; P211-A422 WeakPolarHBondContact CD-O 3.25Å; P211-A422 PolarHBondContact O-N 2.97Å; P211-A422 VanDerWaalsContact O-N 3.14Å; P211-I424 HydrophobicContact CG-CD1 4.31Å; P211-I424 HydrophobicContact CG-CG1 3.64Å | ||
| 212 | S | 98 | Very high | 93.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.3 | -176.6 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | E380 Y387 Q419 A420 | S212-E380 WeakPolarHBondContact CB-OE1 3.15Å; S212-E380 PolarHBondContact N-OE1 3.45Å; S212-E380 VanDerWaalsContact OG-CD 3.3Å; S212-E380 PolarHBondContact OG-OE1 3.37Å; S212-E380 PolarHBondContact OG-OE2 3.19Å; S212-Y387 VanDerWaalsContact CB-CE1 3.49Å; S212-Y387 WeakPolarHBondContact OG-CE1 3.23Å; S212-Q419 PolarHBondContact OG-NE2 3.38Å; S212-A420 VanDerWaalsContact CA-O 3.27Å; S212-A420 WeakPolarHBondContact CA-O 3.33Å; S212-A420 VanDerWaalsContact CB-O 3.3Å; S212-A420 WeakPolarHBondContact CB-O 3.31Å |
| 213 | Q | 96.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.4 | 171.6 | 64.4 | 177.6 | -53.7 | 0 | 0 | 110.5 | S183 L185 F190 L215 Q419 A420 Y434 T437 | S183-Q213 PolarHBondContact OG-OE1 2.83Å; L185-Q213 HydrophobicContact CD1-CB 4.16Å; F190-Q213 HydrophobicContact CD2-CB 4.07Å; F190-Q213 HydrophobicContact CD2-CG 4.4Å; F190-Q213 HydrophobicContact CE2-CB 4.25Å; F190-Q213 HydrophobicContact CE2-CG 4.43Å; Q213-L215 HydrophobicContact CG-CD1 4.41Å; Q213-Q419 WeakPolarHBondContact O-CA 3.46Å; Q213-Q419 WeakPolarHBondContact O-CG 3.49Å; Q213-A420 PolarHBondContact N-O 3.29Å; Q213-A420 PolarHBondContact O-N 2.92Å; Q213-A420 VanDerWaalsContact O-N 3.12Å; Q213-Y434 VanDerWaalsContact NE2-CD2 3.3Å; Q213-T437 PolarHBondContact NE2-OG1 3.04Å |
| 214 | R | 97 | Very high | 92.9 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 2% | 0.023 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.4 | 178.9 | -178.7 | 178.3 | -64.2 | 157.7 | 2.3 | 109.6 | N184 K383 R384 H417 V418 Q419 | N184-R214 PolarHBondContact N-O 3.02Å; N184-R214 PolarHBondContact OD1-N 3.29Å; N184-R214 PolarHBondContact OD1-O 3.39Å; N184-R214 VanDerWaalsContact OD1-O 3.11Å; R214-K383 PolarHBondContact NH2-O 3.24Å; R214-R384 PolarHBondContact NH2-O 3.04Å; R214-H417 HydrophobicContact CG-CB 4.4Å; R214-V418 CarbonylContact C-O 3.55Å; R214-V418 WeakPolarHBondContact CA-O 3.44Å; R214-Q419 HydrophobicContact CB-CB 4.42Å; R214-Q419 HydrophobicContact CB-CG 4.33Å |
| 215 | L | 95.4 | Very high | 92.8 | Very high | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.9 | 170.8 | -60.5 | 100 | 0 | 0 | 0 | 109.5 | F181 T182 Q213 H417 V418 L438 A441 M445 | F181-L215 HydrophobicContact CB-CB 4.17Å; F181-L215 HydrophobicContact CB-CD2 4.34Å; F181-L215 HydrophobicContact CD1-CB 3.94Å; F181-L215 HydrophobicContact CG-CB 4.42Å; T182-L215 CarbonylContact O-C 3.53Å; T182-L215 VanDerWaalsContact O-CA 3.28Å; T182-L215 WeakPolarHBondContact O-CA 3.26Å; Q213-L215 HydrophobicContact CG-CD1 4.41Å; L215-H417 WeakPolarHBondContact O-CA 3.17Å; L215-V418 PolarHBondContact N-O 3.21Å; L215-V418 PolarHBondContact O-N 2.89Å; L215-L438 HydrophobicContact CD2-CD2 3.83Å; L215-A441 HydrophobicContact CD1-CB 3.82Å; L215-M445 HydrophobicContact CD2-CE 4.38Å; L215-M445 HydrophobicContact CD2-SD 3.8Å |
| 216 | S | 95.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 28 Ų | 28 | 18% | 0.175 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.9 | -179.9 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | F181 T182 A416 H417 | F181-S216 CarbonylContact C-O 3.59Å; F181-S216 WeakPolarHBondContact CA-O 3.34Å; T182-S216 PolarHBondContact N-O 3.21Å; T182-S216 PolarHBondContact O-N 2.69Å; T182-S216 PolarHBondContact OG1-O 2.92Å; S216-A416 CarbonylContact C-O 3.54Å; S216-A416 VanDerWaalsContact CA-O 3.24Å; S216-A416 WeakPolarHBondContact CA-O 3.42Å; S216-H417 WeakPolarHBondContact CB-ND1 3.29Å; S216-H417 PolarHBondContact OG-ND1 3.24Å |
| 217 | A | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 155.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L179 E180 F181 Q415 A416 | L179-A217 HydrophobicContact CB-CB 4.07Å; E180-A217 WeakPolarHBondContact O-CB 3.3Å; F181-A217 HydrophobicContact CD1-CB 3.69Å; F181-A217 HydrophobicContact CD2-CB 4.04Å; F181-A217 HydrophobicContact CE1-CB 3.73Å; F181-A217 HydrophobicContact CE2-CB 4.1Å; F181-A217 HydrophobicContact CG-CB 3.84Å; F181-A217 HydrophobicContact CZ-CB 3.93Å; A217-Q415 CarbonylContact O-C 3.29Å; A217-Q415 WeakPolarHBondContact O-CA 3.35Å; A217-A416 PolarHBondContact N-O 2.93Å; A217-A416 PolarHBondContact O-N 2.91Å |
| 218 | E | 92.4 | Very high | 92.6 | Very high | 149 Ų | 149 | 21.9 Ų | 21.9 | 70% | 0.696 | 12% | 0.119 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.4 | 166.4 | -169.7 | -179.4 | 170.3 | 0 | 0 | 109.5 | L179 T220 | L179-E218 VanDerWaalsContact CD2-O 3.28Å; L179-E218 WeakPolarHBondContact CD2-O 3.46Å; E218-T220 HydrophobicContact CG-CG2 4.15Å |
| 219 | F | 90.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | trans | -134.5 | 108.8 | -175.4 | -167.5 | -86.7 | 0 | 0 | 0 | 110.5 | L179 T221 P223 Y226 M409 V411 N414 A416 | L179-F219 HydrophobicContact CD1-CD2 3.84Å; L179-F219 HydrophobicContact CD1-CE2 4.03Å; L179-F219 HydrophobicContact CD2-CD2 3.8Å; L179-F219 HydrophobicContact CD2-CE2 4.47Å; L179-F219 HydrophobicContact CG-CD2 4.49Å; F219-T221 WeakPolarHBondContact CE1-O 3.49Å; F219-T221 WeakPolarHBondContact CZ-OG1 3.42Å; F219-P223 HydrophobicContact CE1-CB 4.17Å; F219-P223 HydrophobicContact CE1-CG 3.91Å; F219-Y226 AromaticContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CG 4.24Å; F219-Y226 HydrophobicContact CZ-CD2 4.49Å; F219-Y226 HydrophobicContact CZ-CG 4.32Å; F219-M409 HydrophobicContact CD2-SD 4.4Å; F219-M409 HydrophobicContact CE2-SD 4.1Å; F219-V411 HydrophobicContact CB-CG1 4.48Å; F219-V411 HydrophobicContact CD1-CG1 3.63Å; F219-V411 HydrophobicContact CD1-CG2 4.07Å; F219-V411 HydrophobicContact CE1-CG1 4.17Å; F219-V411 HydrophobicContact CE1-CG2 4.07Å; F219-V411 HydrophobicContact CG-CG1 4.24Å; F219-V411 HydrophobicContact CG-CG2 4.37Å; F219-V411 HydrophobicContact CZ-CG2 4.38Å; F219-N414 PolarHBondContact N-O 2.82Å; F219-N414 CarbonylContact O-C 3.44Å; F219-N414 WeakPolarHBondContact O-CA 3.36Å; F219-A416 HydrophobicContact CB-CB 3.68Å; F219-A416 HydrophobicContact CD2-CB 3.61Å; F219-A416 HydrophobicContact CG-CB 3.87Å | ||
| 220 | T | 84.1 | Confident | 92 | Very high | 99 Ų | 99 | 21.9 Ų | 21.9 | 61% | 0.607 | 12% | 0.119 | S | C | * | . | trans | -118.2 | 0.3 | -171.9 | 52.7 | 0 | 0 | 0 | 0 | 114 | E218 | E218-T220 HydrophobicContact CG-CG2 4.15Š| ||
| 221 | T | 82.3 | Confident | 91.7 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 20% | 0.202 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -91.8 | 166.8 | 177.7 | 42.8 | 0 | 0 | 0 | 0 | 113.5 | P177 F219 P223 | P177-T221 HydrophobicContact CG-CG2 3.76Å; F219-T221 WeakPolarHBondContact CE1-O 3.49Å; F219-T221 WeakPolarHBondContact CZ-OG1 3.42Å; T221-P223 WeakPolarHBondContact O-CD 3.37Å |
| 222 | D | 88.9 | Confident | 91 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 33% | 0.326 | 14% | 0.144 | S | C | . | . | trans | -59 | 116 | 169.1 | -173.2 | -16.5 | 0 | 0 | 0 | 109.6 | K22 F224 N225 | K22-D222 IonicContact NZ-OD2 2.82Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 VanDerWaalsContact O-N 3.14Å; D222-F224 WeakPolarHBondContact OD1-CB 3.44Å; D222-F224 PolarHBondContact OD1-N 2.85Å; D222-N225 HydrophobicContact CB-CB 4.46Å; D222-N225 WeakPolarHBondContact O-CB 3.49Å; D222-N225 PolarHBondContact O-N 3.15Å | ||
| 223 | P | 91.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 13% | 0.13 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.3 | -28.6 | 178.3 | -23.8 | 34.3 | 0 | 0 | 0 | 113 | F219 T221 N225 Y226 Y227 Y241 Q248 I250 V411 | F219-P223 HydrophobicContact CE1-CB 4.17Å; F219-P223 HydrophobicContact CE1-CG 3.91Å; T221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-N225 VanDerWaalsContact C-N 3.34Å; P223-N225 PolarHBondContact O-N 3.28Å; P223-Y226 WeakPolarHBondContact O-CB 3.21Å; P223-Y226 PolarHBondContact O-N 2.95Å; P223-Y227 PolarHBondContact O-N 2.95Å; P223-Y227 VanDerWaalsContact O-N 3.11Å; P223-Y241 HydrophobicContact CB-CE2 3.83Å; P223-Q248 HydrophobicContact CB-CB 4.03Å; P223-Q248 HydrophobicContact CB-CG 4.05Å; P223-Q248 HydrophobicContact CG-CB 4.34Å; P223-Q248 HydrophobicContact CG-CG 4Å; P223-I250 HydrophobicContact CB-CD1 3.9Å; P223-I250 WeakPolarHBondContact O-CD1 3.34Å; P223-V411 HydrophobicContact CB-CG2 4.46Å; P223-V411 HydrophobicContact CG-CG1 4.27Å |
| 224 | F | 92.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.9 | -31.8 | 176.4 | -175.8 | -114 | 0 | 0 | 0 | 112.7 | E15 Y18 Y19 L28 D222 Y226 Y227 R228 Y241 | E15-F224 HydrophobicContact CB-CZ 4.46Å; Y18-F224 HydrophobicContact CD1-CD1 4.16Å; Y18-F224 AromaticContact CD1-CD2 3.54Å; Y18-F224 HydrophobicContact CD1-CD2 3.54Å; Y18-F224 AromaticContact CD1-CE1 3.79Å; Y18-F224 HydrophobicContact CD1-CE1 3.79Å; Y18-F224 AromaticContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CE2 3.13Å; Y18-F224 HydrophobicContact CD1-CG 4.05Å; Y18-F224 AromaticContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD1-CZ 3.27Å; Y18-F224 HydrophobicContact CD2-CE2 4.41Å; Y18-F224 HydrophobicContact CE1-CD1 4.31Å; Y18-F224 AromaticContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CD2 3.5Å; Y18-F224 VanDerWaalsContact CE1-CD2 3.5Å; Y18-F224 HydrophobicContact CE1-CE1 4.4Å; Y18-F224 AromaticContact CE1-CE2 3.63Å; Y18-F224 HydrophobicContact CE1-CE2 3.63Å; Y18-F224 AromaticContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CG 3.87Å; Y18-F224 HydrophobicContact CE1-CZ 4.09Å; Y18-F224 HydrophobicContact CG-CD2 4.33Å; Y18-F224 AromaticContact CG-CE2 3.62Å; Y18-F224 HydrophobicContact CG-CE2 3.62Å; Y18-F224 AromaticContact CG-CZ 3.85Å; Y18-F224 HydrophobicContact CG-CZ 3.85Å; Y19-F224 HydrophobicContact CD2-CD1 4.39Å; Y19-F224 HydrophobicContact CD2-CE1 4.16Å; L28-F224 HydrophobicContact CD2-CE2 4.42Å; D222-F224 PolarHBondContact O-N 3.01Å; D222-F224 VanDerWaalsContact O-N 3.14Å; D222-F224 WeakPolarHBondContact OD1-CB 3.44Å; D222-F224 PolarHBondContact OD1-N 2.85Å; F224-Y226 VanDerWaalsContact C-N 3.31Å; F224-Y226 PolarHBondContact O-N 2.79Å; F224-Y227 HydrophobicContact CD2-CD1 4.17Å; F224-Y227 AromaticContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CE1 4.42Å; F224-Y227 WeakPolarHBondContact O-CB 3.32Å; F224-Y227 PolarHBondContact O-N 2.87Å; F224-R228 HydrophobicContact CD1-CG 4.32Å; F224-R228 HydrophobicContact CE1-CG 3.96Å; F224-R228 HydrophobicContact CE2-CG 4.49Å; F224-R228 HydrophobicContact CZ-CG 4.04Å; F224-R228 WeakPolarHBondContact O-CG 3.47Å; F224-R228 PolarHBondContact O-N 3.46Å; F224-Y241 HydrophobicContact CB-CE1 4.28Å; F224-Y241 HydrophobicContact CB-CE2 4.35Å; F224-Y241 HydrophobicContact CD2-CD1 4.02Å; F224-Y241 HydrophobicContact CD2-CE1 4.16Å; F224-Y241 HydrophobicContact CD2-CG 4.25Å |
| 225 | N | 90.2 | Very high | 88.5 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | 174.1 | -76.4 | -13.1 | 0 | 0 | 0 | 111.4 | L174 M176 D222 P223 R228 Q229 | L174-N225 HydrophobicContact CD2-CB 3.77Å; M176-N225 HydrophobicContact SD-CB 4.01Å; D222-N225 HydrophobicContact CB-CB 4.46Å; D222-N225 WeakPolarHBondContact O-CB 3.49Å; D222-N225 PolarHBondContact O-N 3.15Å; P223-N225 VanDerWaalsContact C-N 3.34Å; P223-N225 PolarHBondContact O-N 3.28Å; N225-R228 PolarHBondContact O-N 3.02Å; N225-Q229 PolarHBondContact O-N 2.89Å; N225-Q229 VanDerWaalsContact O-N 3.14Å |
| 226 | Y | 90.7 | Very high | 88 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 174.1 | -179.2 | -81.3 | 0 | 0 | 0 | 111.2 | M176 L179 F219 P223 F224 R228 Q229 L230 I250 M409 L444 L447 | M176-Y226 HydrophobicContact CE-CD2 3.57Å; M176-Y226 HydrophobicContact CE-CG 4.18Å; L179-Y226 HydrophobicContact CD1-CE2 4.28Å; F219-Y226 AromaticContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CD2 3.99Å; F219-Y226 HydrophobicContact CE2-CG 4.24Å; F219-Y226 HydrophobicContact CZ-CD2 4.49Å; F219-Y226 HydrophobicContact CZ-CG 4.32Å; P223-Y226 WeakPolarHBondContact O-CB 3.21Å; P223-Y226 PolarHBondContact O-N 2.95Å; F224-Y226 VanDerWaalsContact C-N 3.31Å; F224-Y226 PolarHBondContact O-N 2.79Å; Y226-R228 PolarHBondContact O-N 3.28Å; Y226-Q229 PolarHBondContact O-N 3.02Å; Y226-L230 HydrophobicContact CE1-CB 4.3Å; Y226-L230 HydrophobicContact CE1-CD2 4.23Å; Y226-L230 WeakPolarHBondContact O-CB 3.44Å; Y226-L230 PolarHBondContact O-N 3.37Å; Y226-I250 HydrophobicContact CD1-CB 4.49Å; Y226-I250 HydrophobicContact CD1-CD1 3.77Å; Y226-I250 HydrophobicContact CD1-CG2 4.06Å; Y226-I250 HydrophobicContact CE1-CG2 4.45Å; Y226-I250 HydrophobicContact CG-CD1 4.4Å; Y226-M409 HydrophobicContact CD1-SD 3.99Å; Y226-M409 HydrophobicContact CD2-CE 4.28Å; Y226-M409 HydrophobicContact CD2-SD 4.16Å; Y226-M409 HydrophobicContact CE1-CB 4.27Å; Y226-M409 HydrophobicContact CE1-CE 3.89Å; Y226-M409 HydrophobicContact CE1-SD 3.71Å; Y226-M409 HydrophobicContact CE2-CE 3.48Å; Y226-M409 VanDerWaalsContact CE2-CE 3.48Å; Y226-M409 HydrophobicContact CE2-SD 3.91Å; Y226-M409 HydrophobicContact CG-SD 4.23Å; Y226-M409 VanDerWaalsContact OH-CE 3.27Å; Y226-M409 WeakPolarHBondContact OH-CE 3.14Å; Y226-L444 WeakPolarHBondContact OH-CA 3.12Å; Y226-L444 WeakPolarHBondContact OH-CB 2.77Å; Y226-L444 PolarHBondContact OH-O 3.43Å; Y226-L447 HydrophobicContact CD1-CD1 4.43Å; Y226-L447 HydrophobicContact CD2-CD1 3.65Å; Y226-L447 HydrophobicContact CE1-CD1 4.17Å; Y226-L447 HydrophobicContact CE2-CD1 3.32Å; Y226-L447 HydrophobicContact CE2-CG 4.18Å; Y226-L447 HydrophobicContact CG-CD1 4.17Å |
| 227 | Y | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.5 | -48.7 | 173.6 | 173.3 | -97.9 | 0 | 0 | 0 | 112.7 | L28 E30 P223 F224 Q229 L230 R231 L239 Y241 I250 | L28-Y227 HydrophobicContact CD2-CD1 4.09Å; L28-Y227 HydrophobicContact CD2-CE1 3.25Å; L28-Y227 HydrophobicContact CD2-CE2 4.39Å; L28-Y227 VanDerWaalsContact CD2-CZ 3.42Å; L28-Y227 WeakPolarHBondContact CD2-OH 3.39Å; L28-Y227 HydrophobicContact CG-CE1 4.42Å; E30-Y227 VanDerWaalsContact CD-OH 3.23Å; E30-Y227 WeakPolarHBondContact CG-OH 3.19Å; E30-Y227 PolarHBondContact OE1-OH 3.28Å; P223-Y227 PolarHBondContact O-N 2.95Å; P223-Y227 VanDerWaalsContact O-N 3.11Å; F224-Y227 HydrophobicContact CD2-CD1 4.17Å; F224-Y227 AromaticContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CD1 3.84Å; F224-Y227 HydrophobicContact CE2-CE1 4.42Å; F224-Y227 WeakPolarHBondContact O-CB 3.32Å; F224-Y227 PolarHBondContact O-N 2.87Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.39Å; Y227-L230 PolarHBondContact O-N 2.97Å; Y227-R231 WeakPolarHBondContact O-CB 3.24Å; Y227-R231 PolarHBondContact O-N 2.82Å; Y227-L239 HydrophobicContact CE2-CB 4.16Å; Y227-Y241 HydrophobicContact CG-CD2 4.34Å; Y227-Y241 HydrophobicContact CG-CG 4.38Å; Y227-I250 HydrophobicContact CD2-CG2 3.78Å; Y227-I250 HydrophobicContact CG-CG2 4.25Å |
| 228 | R | 91.2 | Very high | 87.9 | Confident | 14 Ų | 14 | 34.4 Ų | 34.4 | 5% | 0.053 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.1 | -44.4 | 179.8 | -68.6 | 175.2 | 60.1 | -155 | -5 | 111.5 | E15 P172 L174 F224 N225 Y226 Q232 | E15-R228 HydrophobicContact CG-CG 4.14Å; E15-R228 WeakPolarHBondContact OE1-CB 3.39Å; E15-R228 WeakPolarHBondContact OE1-CG 3.21Å; E15-R228 IonicContact OE1-CZ 3.26Å; E15-R228 IonicContact OE1-NE 3.78Å; E15-R228 PolarHBondContact OE1-NE 2.95Å; P172-R228 PolarHBondContact O-NH1 3.5Å; L174-R228 HydrophobicContact CD2-CB 4.03Å; F224-R228 HydrophobicContact CD1-CG 4.32Å; F224-R228 HydrophobicContact CE1-CG 3.96Å; F224-R228 HydrophobicContact CE2-CG 4.49Å; F224-R228 HydrophobicContact CZ-CG 4.04Å; F224-R228 WeakPolarHBondContact O-CG 3.47Å; F224-R228 PolarHBondContact O-N 3.46Å; N225-R228 PolarHBondContact O-N 3.02Å; Y226-R228 PolarHBondContact O-N 3.28Å; R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 2.95Å |
| 229 | Q | 86.9 | Confident | 88.1 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | 179 | -164.2 | -174.4 | 25.8 | 0 | 0 | 112.2 | N225 Y226 Y227 R231 Q232 N233 L447 L448 | N225-Q229 PolarHBondContact O-N 2.89Å; N225-Q229 VanDerWaalsContact O-N 3.14Å; Y226-Q229 PolarHBondContact O-N 3.02Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.39Å; Q229-R231 VanDerWaalsContact C-N 3.34Å; Q229-R231 PolarHBondContact O-N 2.85Å; Q229-Q232 PolarHBondContact O-N 2.87Å; Q229-N233 PolarHBondContact O-N 3.19Å; Q229-L447 HydrophobicContact CB-CD1 4.04Å; Q229-L447 HydrophobicContact CG-CB 3.85Å; Q229-L447 HydrophobicContact CG-CD1 4.13Å; Q229-L447 HydrophobicContact CG-CG 4.5Å; Q229-L447 PolarHBondContact NE2-O 3.2Å; Q229-L448 PolarHBondContact NE2-O 2.72Å |
| 230 | L | 88.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.9 | 178.1 | 62.3 | 0 | 0 | 0 | 111.5 | Y226 Y227 Q232 N233 N234 I250 L444 L447 | Y226-L230 HydrophobicContact CE1-CB 4.3Å; Y226-L230 HydrophobicContact CE1-CD2 4.23Å; Y226-L230 WeakPolarHBondContact O-CB 3.44Å; Y226-L230 PolarHBondContact O-N 3.37Å; Y227-L230 PolarHBondContact O-N 2.97Å; L230-Q232 PolarHBondContact O-N 3.35Å; L230-N233 PolarHBondContact O-N 2.8Å; L230-N234 HydrophobicContact CD1-CB 4.05Å; L230-N234 CarbonylContact O-C 3.44Å; L230-N234 PolarHBondContact O-N 2.97Å; L230-I250 HydrophobicContact CD2-CG2 4.3Å; L230-L444 HydrophobicContact CD1-CD2 3.69Å; L230-L444 HydrophobicContact CD2-CD2 3.92Å; L230-L444 HydrophobicContact CG-CD2 4.48Å; L230-L447 HydrophobicContact CB-CD1 4.33Å; L230-L447 HydrophobicContact CD1-CD2 4.17Å |
| 231 | R | 88.8 | Confident | 89 | Confident | 59 Ų | 59 | 23 Ų | 23 | 22% | 0.223 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58 | -35.8 | 178.1 | 177.3 | 176.5 | -175.4 | -83.7 | -7.8 | 112.7 | E15 E30 Y227 Q229 L239 | E15-R231 IonicContact OE2-NH1 2.85Å; E15-R231 PolarHBondContact OE2-NH1 2.93Å; E30-R231 VanDerWaalsContact OE1-CD 3.25Å; E30-R231 WeakPolarHBondContact OE1-CD 3.36Å; E30-R231 IonicContact OE1-CZ 3.26Å; E30-R231 IonicContact OE1-NE 2.87Å; E30-R231 PolarHBondContact OE1-NE 3.24Å; E30-R231 IonicContact OE2-CZ 2.87Å; E30-R231 IonicContact OE2-NE 3.98Å; E30-R231 PolarHBondContact OE2-NE 3.41Å; E30-R231 VanDerWaalsContact OE2-NE 3.14Å; E30-R231 IonicContact OE2-NH2 2.93Å; E30-R231 PolarHBondContact OE2-NH2 3.46Å; Y227-R231 WeakPolarHBondContact O-CB 3.24Å; Y227-R231 PolarHBondContact O-N 2.82Å; Q229-R231 VanDerWaalsContact C-N 3.34Å; Q229-R231 PolarHBondContact O-N 2.85Å; R231-L239 HydrophobicContact CB-CD2 4.2Å; R231-L239 HydrophobicContact CG-CD1 4.03Å; R231-L239 HydrophobicContact CG-CD2 4.49Å |
| 232 | Q | 83.2 | Confident | 89.7 | Confident | 68 Ų | 68 | 21.5 Ų | 21.5 | 32% | 0.318 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -77.4 | -46.6 | 177.9 | -68.1 | 176.5 | -0.2 | 0 | 0 | 112.4 | R228 Q229 L230 E450 | R228-Q232 WeakPolarHBondContact O-CG 3.35Å; R228-Q232 PolarHBondContact O-N 2.95Å; Q229-Q232 PolarHBondContact O-N 2.87Å; L230-Q232 PolarHBondContact O-N 3.35Å; Q232-E450 PolarHBondContact NE2-OE1 3.23Å; Q232-E450 PolarHBondContact OE1-OE1 3.4Å |
| 233 | N | 79.9 | Confident | 90 | Very high | 55 Ų | 55 | 20.2 Ų | 20.2 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -77.1 | -34.5 | -173.4 | -70.3 | -13.4 | 0 | 0 | 0 | 112.9 | Q229 L230 L447 L448 | Q229-N233 PolarHBondContact O-N 3.19Å; L230-N233 PolarHBondContact O-N 2.8Å; N233-L447 HydrophobicContact CB-CD2 3.93Å; N233-L447 WeakPolarHBondContact ND2-CA 3.45Å; N233-L448 PolarHBondContact ND2-N 2.91Å; N233-L448 PolarHBondContact ND2-O 3.48Å |
| 234 | N | 79.5 | Confident | 90.1 | Very high | 39 Ų | 39 | 19.3 Ų | 19.3 | 21% | 0.209 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -134.7 | 70.8 | -175.2 | -62.4 | -80.3 | 0 | 0 | 0 | 110.9 | L230 S236 S252 A443 | L230-N234 HydrophobicContact CD1-CB 4.05Å; L230-N234 CarbonylContact O-C 3.44Å; L230-N234 PolarHBondContact O-N 2.97Å; N234-S236 PolarHBondContact O-N 3.4Å; N234-S252 PolarHBondContact O-OG 3.5Å; N234-A443 PolarHBondContact ND2-O 3.06Å |
| 235 | P | 80.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 22 Ų | 22 | 35% | 0.351 | 12% | 0.12 | S | C | . | . | trans | -67.3 | 123.4 | 173.9 | 27.6 | -33.5 | 0 | 0 | 0 | 110.6 | ||||
| 236 | S | 85.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 26.9 Ų | 26.9 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | trans | -124.9 | 178 | 179.1 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | N234 Y238 S252 S253 | N234-S236 PolarHBondContact O-N 3.4Å; S236-Y238 PolarHBondContact O-N 3.07Å; S236-S252 WeakPolarHBondContact CB-OG 3.15Å; S236-S252 PolarHBondContact OG-O 3.2Å; S236-S252 VanDerWaalsContact OG-O 3.11Å; S236-S252 PolarHBondContact OG-OG 2.92Å; S236-S253 WeakPolarHBondContact CB-O 3.13Å | ||
| 237 | A | 90 | Very high | 90 | Very high | 25 Ų | 25 | 26.9 Ų | 26.9 | 21% | 0.207 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -62.2 | -30 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R31 R32 | R31-A237 PolarHBondContact NH1-O 2.95Å; R31-A237 VanDerWaalsContact NH1-O 3.08Å; R32-A237 PolarHBondContact N-O 3.43Å; R32-A237 WeakPolarHBondContact O-CA 3.36Å |
| 238 | Y | 95.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131 | 175.8 | -63 | -91.3 | 0 | 0 | 0 | 109.9 | F29 E30 R31 S236 S252 S253 S256 D401 A403 | F29-Y238 HydrophobicContact CE1-CD1 4.5Å; F29-Y238 AromaticContact CE2-CD1 3.95Å; F29-Y238 HydrophobicContact CE2-CD1 3.95Å; F29-Y238 AromaticContact CZ-CD1 3.57Å; F29-Y238 HydrophobicContact CZ-CD1 3.57Å; F29-Y238 AromaticContact CZ-CE1 3.83Å; F29-Y238 HydrophobicContact CZ-CE1 3.83Å; E30-Y238 WeakPolarHBondContact O-CA 3.47Å; R31-Y238 PolarHBondContact NE-OH 2.85Å; S236-Y238 PolarHBondContact O-N 3.07Å; Y238-S252 CarbonylContact O-C 3.59Å; Y238-S252 VanDerWaalsContact O-CA 3.28Å; Y238-S252 WeakPolarHBondContact O-CA 3.4Å; Y238-S253 WeakPolarHBondContact CB-O 3.43Å; Y238-S253 PolarHBondContact N-O 3.16Å; Y238-S253 PolarHBondContact O-N 2.9Å; Y238-S256 WeakPolarHBondContact OH-CB 3.47Å; Y238-S256 PolarHBondContact OH-OG 3.07Å; Y238-S256 VanDerWaalsContact OH-OG 3.07Å; Y238-D401 WeakPolarHBondContact CE1-OD1 3.32Å; Y238-D401 WeakPolarHBondContact CE1-OD2 3.39Å; Y238-D401 PolarHBondContact OH-OD1 3.46Å; Y238-A403 HydrophobicContact CD1-CB 3.71Å; Y238-A403 HydrophobicContact CD2-CB 3.75Å; Y238-A403 HydrophobicContact CE1-CB 4.18Å; Y238-A403 HydrophobicContact CE2-CB 4.27Å; Y238-A403 HydrophobicContact CG-CB 3.45Å; Y238-A403 VanDerWaalsContact CG-CB 3.45Å |
| 239 | L | 96.5 | Very high | 90.5 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.2 | 166.6 | -69.1 | 144.5 | 0 | 0 | 0 | 108.3 | F29 E30 Y227 R231 G251 S252 | F29-L239 CarbonylContact C-O 3.51Å; E30-L239 HydrophobicContact CB-CB 4.05Å; E30-L239 HydrophobicContact CG-CB 4.26Å; E30-L239 PolarHBondContact N-O 2.75Å; E30-L239 PolarHBondContact O-N 3.44Å; Y227-L239 HydrophobicContact CE2-CB 4.16Å; R231-L239 HydrophobicContact CB-CD2 4.2Å; R231-L239 HydrophobicContact CG-CD1 4.03Å; R231-L239 HydrophobicContact CG-CD2 4.49Å; L239-G251 WeakPolarHBondContact CA-O 3.43Å; L239-S252 WeakPolarHBondContact CD2-OG 3.33Å |
| 240 | Y | 97.7 | Very high | 91 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 148.5 | 178.3 | 43.1 | -97.7 | 0 | 0 | 0 | 112.2 | L28 V249 I250 G251 V391 A403 T408 | L28-Y240 CarbonylContact O-C 3.26Å; L28-Y240 VanDerWaalsContact O-CA 3.23Å; L28-Y240 WeakPolarHBondContact O-CA 3.35Å; Y240-V249 HydrophobicContact CE2-CG1 4.28Å; Y240-I250 WeakPolarHBondContact O-CA 3.5Å; Y240-G251 PolarHBondContact N-O 2.87Å; Y240-G251 PolarHBondContact O-N 3.33Å; Y240-V391 HydrophobicContact CD1-CB 4.29Å; Y240-V391 HydrophobicContact CD1-CG1 3.85Å; Y240-V391 HydrophobicContact CD2-CB 4.36Å; Y240-V391 HydrophobicContact CD2-CG1 3.63Å; Y240-V391 HydrophobicContact CE1-CB 4.1Å; Y240-V391 HydrophobicContact CE1-CG1 4.14Å; Y240-V391 HydrophobicContact CE2-CB 4.14Å; Y240-V391 HydrophobicContact CE2-CG1 3.91Å; Y240-V391 HydrophobicContact CE2-CG2 4Å; Y240-V391 HydrophobicContact CG-CB 4.42Å; Y240-V391 HydrophobicContact CG-CG1 3.58Å; Y240-A403 HydrophobicContact CE1-CB 4.27Å; Y240-T408 HydrophobicContact CE2-CG2 3.98Å; Y240-T408 PolarHBondContact OH-OG1 3.07Å |
| 241 | Y | 97.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 108.6 | 170.9 | -179.2 | -98.9 | 0 | 0 | 0 | 108.3 | Y18 L28 P223 F224 Y227 D243 Q248 V249 I250 | Y18-Y241 HydrophobicContact CE1-CD1 4.24Å; Y18-Y241 HydrophobicContact CE1-CE1 4.16Å; Y18-Y241 AromaticContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CD1 3.86Å; Y18-Y241 HydrophobicContact CE2-CE1 4.35Å; Y18-Y241 AromaticContact CZ-CD1 3.58Å; Y18-Y241 AromaticContact CZ-CE1 3.62Å; Y18-Y241 WeakPolarHBondContact OH-CD1 3.42Å; Y18-Y241 WeakPolarHBondContact OH-CE1 3.44Å; L28-Y241 PolarHBondContact N-O 3.48Å; L28-Y241 PolarHBondContact O-N 3.36Å; P223-Y241 HydrophobicContact CB-CE2 3.83Å; F224-Y241 HydrophobicContact CB-CE1 4.28Å; F224-Y241 HydrophobicContact CB-CE2 4.35Å; F224-Y241 HydrophobicContact CD2-CD1 4.02Å; F224-Y241 HydrophobicContact CD2-CE1 4.16Å; F224-Y241 HydrophobicContact CD2-CG 4.25Å; Y227-Y241 HydrophobicContact CG-CD2 4.34Å; Y227-Y241 HydrophobicContact CG-CG 4.38Å; Y241-D243 HydrophobicContact CE1-CB 3.79Å; Y241-Q248 HydrophobicContact CE2-CB 4.4Å; Y241-V249 CarbonylContact C-O 3.48Å; Y241-V249 WeakPolarHBondContact CA-O 3.45Å; Y241-I250 HydrophobicContact CD2-CB 4.48Å; Y241-I250 HydrophobicContact CD2-CD1 4.46Å; Y241-I250 HydrophobicContact CD2-CG1 3.87Å; Y241-I250 HydrophobicContact CD2-CG2 4.23Å; Y241-I250 HydrophobicContact CE2-CD1 4.26Å; Y241-I250 HydrophobicContact CE2-CG1 4Å |
| 242 | L | 97.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.7 | 177.9 | -49.3 | -179.8 | 0 | 0 | 0 | 108.8 | L93 Y95 F244 Q248 V249 V391 | L93-L242 HydrophobicContact CD2-CD2 3.52Å; L93-L242 HydrophobicContact CG-CD2 4.48Å; Y95-L242 HydrophobicContact CD1-CD1 4.35Å; L242-F244 HydrophobicContact CB-CD2 4.1Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.26Å; L242-F244 HydrophobicContact CD1-CE2 3.85Å; L242-F244 HydrophobicContact CD1-CZ 4.27Å; L242-F244 HydrophobicContact CG-CE2 4.36Å; L242-Q248 WeakPolarHBondContact O-CA 3.35Å; L242-V249 HydrophobicContact CB-CB 4.11Å; L242-V249 HydrophobicContact CD1-CB 4.25Å; L242-V249 HydrophobicContact CG-CB 4.34Å; L242-V249 PolarHBondContact N-O 3.24Å; L242-V249 PolarHBondContact O-N 3.2Å; L242-V391 HydrophobicContact CD1-CG1 3.86Å |
| 243 | D | 94.6 | Very high | 92 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 18% | 0.182 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 77.9 | -177.5 | -164.8 | 8.4 | 0 | 0 | 0 | 111.3 | G25 T26 Y241 Q248 | G25-D243 WeakPolarHBondContact CA-O 3.41Å; G25-D243 PolarHBondContact N-O 3.04Å; T26-D243 WeakPolarHBondContact O-CB 3.41Å; Y241-D243 HydrophobicContact CE1-CB 3.79Å; D243-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D243-Q248 PolarHBondContact OD1-NE2 2.86Å; D243-Q248 VanDerWaalsContact OD1-NE2 3.16Å |
| 244 | F | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -80.4 | 157.9 | 170.3 | -56.2 | -76.5 | 0 | 0 | 0 | 110.2 | Y95 Q121 Y123 L242 D246 V247 Q248 | Y95-F244 HydrophobicContact CD1-CD2 4.45Å; Y95-F244 AromaticContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CE2 3.66Å; Y95-F244 HydrophobicContact CD1-CZ 4.27Å; Y95-F244 HydrophobicContact CE1-CD2 4.04Å; Y95-F244 AromaticContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CE2 3.65Å; Y95-F244 HydrophobicContact CE1-CZ 4.35Å; Q121-F244 HydrophobicContact CB-CE1 4.33Å; Q121-F244 HydrophobicContact CB-CZ 4.3Å; Q121-F244 VanDerWaalsContact CD-CD1 3.43Å; Q121-F244 HydrophobicContact CG-CD1 3.62Å; Q121-F244 HydrophobicContact CG-CE1 3.55Å; Q121-F244 HydrophobicContact CG-CG 4.17Å; Q121-F244 HydrophobicContact CG-CZ 4.01Å; Q121-F244 WeakPolarHBondContact O-CZ 3.31Å; Y123-F244 AromaticContact CD2-CD1 3.57Å; Y123-F244 HydrophobicContact CD2-CD1 3.57Å; Y123-F244 AromaticContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CE1 3.37Å; Y123-F244 HydrophobicContact CD2-CZ 4.4Å; Y123-F244 AromaticContact CE2-CD1 3.19Å; Y123-F244 HydrophobicContact CE2-CD1 3.19Å; Y123-F244 AromaticContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CE1 3.56Å; Y123-F244 HydrophobicContact CE2-CG 4.14Å; Y123-F244 HydrophobicContact CG-CD1 4.46Å; Y123-F244 HydrophobicContact CG-CE1 4.09Å; Y123-F244 AromaticContact CZ-CD1 3.87Å; L242-F244 HydrophobicContact CB-CD2 4.1Å; L242-F244 HydrophobicContact CB-CE2 3.58Å; L242-F244 HydrophobicContact CB-CZ 4.26Å; L242-F244 HydrophobicContact CD1-CE2 3.85Å; L242-F244 HydrophobicContact CD1-CZ 4.27Å; L242-F244 HydrophobicContact CG-CE2 4.36Å; F244-D246 VanDerWaalsContact C-N 3.28Å; F244-D246 PolarHBondContact O-N 3.04Å; F244-D246 VanDerWaalsContact O-N 3.16Å; F244-V247 CarbonylContact C-O 3.48Å; F244-V247 WeakPolarHBondContact CA-O 3.41Å; F244-V247 HydrophobicContact CB-CG1 3.9Å; F244-V247 VanDerWaalsContact CB-O 3.26Å; F244-V247 WeakPolarHBondContact CB-O 3.48Å; F244-V247 HydrophobicContact CD2-CG1 4.25Å; F244-V247 HydrophobicContact CG-CG1 4.46Å; F244-V247 PolarHBondContact N-O 3.39Å; F244-V247 VanDerWaalsContact N-O 3.11Å; F244-V247 PolarHBondContact O-N 2.88Å; F244-Q248 PolarHBondContact O-NE2 3.25Å; F244-Q248 VanDerWaalsContact O-NE2 3.16Å | ||
| 245 | P | 86.5 | Confident | 92.8 | Very high | 58 Ų | 58 | 19.6 Ų | 19.6 | 38% | 0.377 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -61.5 | -34.8 | -168 | -24.7 | 37.5 | 0 | 0 | 0 | 113.9 | Y123 | Y123-P245 VanDerWaalsContact OH-CD 3.25Å; Y123-P245 WeakPolarHBondContact OH-CD 3.32Å; Y123-P245 WeakPolarHBondContact OH-CG 3.41Å |
| 246 | D | 89.3 | Confident | 93.4 | Very high | 122 Ų | 122 | 17.6 Ų | 17.6 | 65% | 0.652 | 10% | 0.103 | S | C | * | . | S | Bend | trans | -112.8 | -5 | -175.6 | -54.6 | -47.4 | 0 | 0 | 0 | 113 | F244 | F244-D246 VanDerWaalsContact C-N 3.28Å; F244-D246 PolarHBondContact O-N 3.04Å; F244-D246 VanDerWaalsContact O-N 3.16Å |
| 247 | V | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | trans | -150.9 | 128.5 | -176.6 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | V117 F244 V249 I386 V410 V411 K412 | V117-V247 HydrophobicContact CG1-CB 4.21Å; V117-V247 HydrophobicContact CG1-CG1 4.5Å; V117-V247 HydrophobicContact CG1-CG2 3.93Å; F244-V247 CarbonylContact C-O 3.48Å; F244-V247 WeakPolarHBondContact CA-O 3.41Å; F244-V247 HydrophobicContact CB-CG1 3.9Å; F244-V247 VanDerWaalsContact CB-O 3.26Å; F244-V247 WeakPolarHBondContact CB-O 3.48Å; F244-V247 HydrophobicContact CD2-CG1 4.25Å; F244-V247 HydrophobicContact CG-CG1 4.46Å; F244-V247 PolarHBondContact N-O 3.39Å; F244-V247 VanDerWaalsContact N-O 3.11Å; F244-V247 PolarHBondContact O-N 2.88Å; V247-V249 HydrophobicContact CG2-CG2 4.38Å; V247-I386 HydrophobicContact CG2-CD1 4.48Å; V247-V410 HydrophobicContact CG2-CG1 3.49Å; V247-V410 VanDerWaalsContact CG2-CG1 3.49Å; V247-V411 CarbonylContact C-O 3.51Å; V247-V411 WeakPolarHBondContact CA-O 3.25Å; V247-K412 HydrophobicContact CG2-CB 4.48Å | ||
| 248 | Q | 95.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 16 Ų | 16 | 14% | 0.14 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.3 | 169.9 | -64.5 | 72.3 | 40.5 | 0 | 0 | 110 | P223 Y241 L242 D243 F244 V410 V411 | P223-Q248 HydrophobicContact CB-CB 4.03Å; P223-Q248 HydrophobicContact CB-CG 4.05Å; P223-Q248 HydrophobicContact CG-CB 4.34Å; P223-Q248 HydrophobicContact CG-CG 4Å; Y241-Q248 HydrophobicContact CE2-CB 4.4Å; L242-Q248 WeakPolarHBondContact O-CA 3.35Å; D243-Q248 WeakPolarHBondContact OD1-CG 3.49Å; D243-Q248 PolarHBondContact OD1-NE2 2.86Å; D243-Q248 VanDerWaalsContact OD1-NE2 3.16Å; F244-Q248 PolarHBondContact O-NE2 3.25Å; F244-Q248 VanDerWaalsContact O-NE2 3.16Å; Q248-V410 WeakPolarHBondContact O-CA 3.36Å; Q248-V411 HydrophobicContact CB-CB 4.24Å; Q248-V411 PolarHBondContact N-O 3.09Å; Q248-V411 PolarHBondContact O-N 3.08Å |
| 249 | V | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.9 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | Y95 Y240 Y241 L242 V247 I386 V391 T408 | Y95-V249 HydrophobicContact CD1-CG2 4.08Å; Y95-V249 HydrophobicContact CE1-CG2 4.19Å; Y240-V249 HydrophobicContact CE2-CG1 4.28Å; Y241-V249 CarbonylContact C-O 3.48Å; Y241-V249 WeakPolarHBondContact CA-O 3.45Å; L242-V249 HydrophobicContact CB-CB 4.11Å; L242-V249 HydrophobicContact CD1-CB 4.25Å; L242-V249 HydrophobicContact CG-CB 4.34Å; L242-V249 PolarHBondContact N-O 3.24Å; L242-V249 PolarHBondContact O-N 3.2Å; V247-V249 HydrophobicContact CG2-CG2 4.38Å; V249-I386 HydrophobicContact CG1-CG2 4.18Å; V249-I386 HydrophobicContact CG2-CD1 3.7Å; V249-V391 HydrophobicContact CG1-CG2 4.47Å; V249-T408 HydrophobicContact CG1-CG2 3.58Å |
| 250 | I | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.2 | -173.7 | -37.6 | 174.7 | 0 | 0 | 0 | 108.6 | P223 Y226 Y227 L230 Y240 Y241 T408 M409 V411 | P223-I250 HydrophobicContact CB-CD1 3.9Å; P223-I250 WeakPolarHBondContact O-CD1 3.34Å; Y226-I250 HydrophobicContact CD1-CB 4.49Å; Y226-I250 HydrophobicContact CD1-CD1 3.77Å; Y226-I250 HydrophobicContact CD1-CG2 4.06Å; Y226-I250 HydrophobicContact CE1-CG2 4.45Å; Y226-I250 HydrophobicContact CG-CD1 4.4Å; Y227-I250 HydrophobicContact CD2-CG2 3.78Å; Y227-I250 HydrophobicContact CG-CG2 4.25Å; L230-I250 HydrophobicContact CD2-CG2 4.3Å; Y240-I250 WeakPolarHBondContact O-CA 3.5Å; Y241-I250 HydrophobicContact CD2-CB 4.48Å; Y241-I250 HydrophobicContact CD2-CD1 4.46Å; Y241-I250 HydrophobicContact CD2-CG1 3.87Å; Y241-I250 HydrophobicContact CD2-CG2 4.23Å; Y241-I250 HydrophobicContact CE2-CD1 4.26Å; Y241-I250 HydrophobicContact CE2-CG1 4Å; I250-T408 CarbonylContact O-C 3.59Å; I250-T408 VanDerWaalsContact O-CA 3.3Å; I250-T408 WeakPolarHBondContact O-CA 3.49Å; I250-M409 HydrophobicContact CB-CB 4.47Å; I250-M409 PolarHBondContact N-O 2.97Å; I250-M409 PolarHBondContact O-N 3.24Å; I250-V411 HydrophobicContact CD1-CG2 4.05Å |
| 251 | G | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 162.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L239 Y240 R407 | L239-G251 WeakPolarHBondContact CA-O 3.43Å; Y240-G251 PolarHBondContact N-O 2.87Å; Y240-G251 PolarHBondContact O-N 3.33Å; G251-R407 VanDerWaalsContact CA-O 3.27Å; G251-R407 WeakPolarHBondContact CA-O 3.22Å |
| 252 | S | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 70.5 | 176.7 | -175.3 | 0 | 0 | 0 | 0 | 109 | N234 S236 Y238 L239 R407 | N234-S252 PolarHBondContact O-OG 3.5Å; S236-S252 WeakPolarHBondContact CB-OG 3.15Å; S236-S252 PolarHBondContact OG-O 3.2Å; S236-S252 VanDerWaalsContact OG-O 3.11Å; S236-S252 PolarHBondContact OG-OG 2.92Å; Y238-S252 CarbonylContact O-C 3.59Å; Y238-S252 VanDerWaalsContact O-CA 3.28Å; Y238-S252 WeakPolarHBondContact O-CA 3.4Å; L239-S252 WeakPolarHBondContact CD2-OG 3.33Å; S252-R407 PolarHBondContact N-O 3.35Å; S252-R407 WeakPolarHBondContact O-CB 3.18Å |
| 253 | S | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.9 | -174.8 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | S236 Y238 E255 I404 | S236-S253 WeakPolarHBondContact CB-O 3.13Å; Y238-S253 WeakPolarHBondContact CB-O 3.43Å; Y238-S253 PolarHBondContact N-O 3.16Å; Y238-S253 PolarHBondContact O-N 2.9Å; S253-E255 PolarHBondContact OG-N 3.37Å; S253-E255 PolarHBondContact OG-O 3.03Å; S253-I404 VanDerWaalsContact CB-O 3.25Å; S253-I404 WeakPolarHBondContact CB-O 3.41Å; S253-I404 PolarHBondContact OG-O 3.2Å |
| 254 | P | 87.6 | Confident | 93.6 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 26% | 0.26 | 18% | 0.177 | S | C | . | . | trans | -81.9 | -14.9 | 175.7 | 33.2 | -34.4 | 0 | 0 | 0 | 113.2 | I406 | P254-I406 HydrophobicContact CG-CD1 4.21Š| ||
| 255 | E | 89.2 | Confident | 93.8 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | trans | -124.2 | 132.3 | -162.6 | -164.4 | 176.6 | 178.4 | 0 | 0 | 112.6 | S253 I270 T363 A403 I404 I406 | S253-E255 PolarHBondContact OG-N 3.37Å; S253-E255 PolarHBondContact OG-O 3.03Å; E255-I270 HydrophobicContact CG-CD1 4.25Å; E255-I270 HydrophobicContact CG-CG1 4.32Å; E255-T363 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T363 PolarHBondContact OE1-OG1 3.4Å; E255-T363 PolarHBondContact OE2-OG1 3.34Å; E255-A403 WeakPolarHBondContact O-CA 3.34Å; E255-I404 HydrophobicContact CB-CD1 3.95Å; E255-I404 HydrophobicContact CB-CG1 4.5Å; E255-I404 HydrophobicContact CG-CD1 3.6Å; E255-I404 HydrophobicContact CG-CG1 4.47Å; E255-I404 PolarHBondContact O-N 3.38Å; E255-I404 WeakPolarHBondContact OE2-CD1 3.24Å; E255-I406 HydrophobicContact CB-CD1 4.44Å | ||
| 256 | S | 93.2 | Very high | 94.2 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 133.6 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | Y238 T259 | Y238-S256 WeakPolarHBondContact OH-CB 3.47Å; Y238-S256 PolarHBondContact OH-OG 3.07Å; Y238-S256 VanDerWaalsContact OH-OG 3.07Å; S256-T259 PolarHBondContact OG-OG1 3.12Å |
| 257 | L | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -59.5 | 168.5 | 175.7 | 62.8 | 0 | 0 | 0 | 109.7 | T267 L355 L359 A361 A390 F402 I404 | L257-T267 WeakPolarHBondContact O-CB 3.36Å; L257-T267 PolarHBondContact O-OG1 3.05Å; L257-L355 HydrophobicContact CD2-CD1 3.5Å; L257-L355 HydrophobicContact CG-CD1 4.47Å; L257-L359 HydrophobicContact CD2-CD1 4.14Å; L257-A361 HydrophobicContact CD1-CB 3.73Å; L257-A390 HydrophobicContact CD2-CB 3.57Å; L257-F402 HydrophobicContact CB-CB 4.49Å; L257-F402 WeakPolarHBondContact CB-O 3.33Å; L257-F402 PolarHBondContact N-O 3.14Å; L257-I404 HydrophobicContact CB-CG1 3.83Å; L257-I404 HydrophobicContact CD1-CG1 4.4Å |
| 258 | V | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 139.3 | -178.5 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | V260 V265 T266 A354 L355 T358 F402 | V258-V260 HydrophobicContact CG2-CG2 4.36Å; V258-V265 HydrophobicContact CG2-CG2 3.5Å; V258-V265 VanDerWaalsContact CG2-CG2 3.5Å; V258-T266 WeakPolarHBondContact CA-O 3.34Å; V258-A354 HydrophobicContact CG2-CB 4.1Å; V258-L355 HydrophobicContact CG1-CB 4.36Å; V258-L355 HydrophobicContact CG1-CD1 3.98Å; V258-T358 HydrophobicContact CB-CG2 4.37Å; V258-T358 HydrophobicContact CG2-CG2 4.36Å; V258-F402 HydrophobicContact CG1-CB 4.35Å; V258-F402 HydrophobicContact CG1-CD2 4.45Å; V258-F402 PolarHBondContact N-O 2.84Å; V258-F402 PolarHBondContact O-N 3.16Å |
| 259 | T | 96.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 25.7 Ų | 25.7 | 13% | 0.129 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.3 | 170.5 | -48.9 | 0 | 0 | 0 | 0 | 108.8 | S256 E261 V265 T266 A400 D401 | S256-T259 PolarHBondContact OG-OG1 3.12Å; T259-E261 HydrophobicContact CG2-CG 4.28Å; T259-V265 CarbonylContact O-C 3.58Å; T259-V265 WeakPolarHBondContact O-CA 3.37Å; T259-T266 PolarHBondContact N-O 3.04Å; T259-T266 PolarHBondContact O-N 2.84Å; T259-A400 CarbonylContact C-O 3.59Å; T259-A400 VanDerWaalsContact CA-O 3.31Å; T259-A400 WeakPolarHBondContact CA-O 3.39Å; T259-A400 WeakPolarHBondContact CG2-O 3.47Å; T259-D401 HydrophobicContact CG2-CB 4.18Å; T259-D401 PolarHBondContact OG1-OD1 3.23Å |
| 260 | V | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.1 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | V258 L264 V265 L345 A351 A354 Q399 A400 | V258-V260 HydrophobicContact CG2-CG2 4.36Å; V260-L264 WeakPolarHBondContact CA-O 3.3Å; V260-V265 HydrophobicContact CG2-CB 4.25Å; V260-V265 HydrophobicContact CG2-CG2 4.07Å; V260-L345 HydrophobicContact CG1-CD1 3.77Å; V260-A351 HydrophobicContact CB-CB 3.95Å; V260-A351 HydrophobicContact CG1-CB 4.06Å; V260-A351 HydrophobicContact CG2-CB 4.04Å; V260-A354 HydrophobicContact CG2-CB 3.67Å; V260-Q399 VanDerWaalsContact O-CA 3.31Å; V260-Q399 WeakPolarHBondContact O-CA 3.43Å; V260-A400 HydrophobicContact CB-CB 4.45Å; V260-A400 PolarHBondContact N-O 3.31Å; V260-A400 PolarHBondContact O-N 3.35Å |
| 261 | E | 92.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 27.1 Ų | 27.1 | 45% | 0.453 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 109 | 176.3 | -68.9 | -179 | -175.9 | 0 | 0 | 108.4 | T259 E263 L264 | T259-E261 HydrophobicContact CG2-CG 4.28Å; E261-E263 PolarHBondContact O-N 2.86Å; E261-L264 PolarHBondContact N-O 3.11Å; E261-L264 WeakPolarHBondContact O-CB 3.27Å; E261-L264 PolarHBondContact O-N 2.96Å |
| 262 | A | 88.9 | Confident | 92.1 | Very high | 72 Ų | 72 | 27.4 Ų | 27.4 | 60% | 0.595 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -120.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 263 | E | 93.1 | Very high | 91.6 | Very high | 105 Ų | 105 | 30.4 Ų | 30.4 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.8 | 179.3 | -57.5 | 178.7 | 126.1 | 0 | 0 | 113.4 | E261 K344 L345 | E261-E263 PolarHBondContact O-N 2.86Å; E263-K344 HydrophobicContact CB-CG 4.09Å; E263-K344 CarbonylContact O-C 3.49Å; E263-K344 WeakPolarHBondContact O-CA 3.14Å; E263-K344 IonicContact OE1-NZ 2.89Å; E263-K344 WeakPolarHBondContact OE2-CE 3.27Å; E263-K344 IonicContact OE2-NZ 3.31Å; E263-K344 PolarHBondContact OE2-NZ 3.39Å; E263-L345 PolarHBondContact O-N 2.76Å |
| 264 | L | 96.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 32.5 Ų | 32.5 | 41% | 0.414 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.8 | -175.8 | -174.3 | 71.1 | 0 | 0 | 0 | 110.5 | V260 E261 | V260-L264 WeakPolarHBondContact CA-O 3.3Å; E261-L264 PolarHBondContact N-O 3.11Å; E261-L264 WeakPolarHBondContact O-CB 3.27Å; E261-L264 PolarHBondContact O-N 2.96Å |
| 265 | V | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.4 | 170.5 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | V258 T259 V260 L311 T342 A343 L345 A354 | V258-V265 HydrophobicContact CG2-CG2 3.5Å; V258-V265 VanDerWaalsContact CG2-CG2 3.5Å; T259-V265 CarbonylContact O-C 3.58Å; T259-V265 WeakPolarHBondContact O-CA 3.37Å; V260-V265 HydrophobicContact CG2-CB 4.25Å; V260-V265 HydrophobicContact CG2-CG2 4.07Å; V265-L311 HydrophobicContact CB-CD2 4.43Å; V265-L311 HydrophobicContact CG1-CD1 4.27Å; V265-L311 HydrophobicContact CG1-CD2 4.01Å; V265-L311 HydrophobicContact CG2-CD2 3.54Å; V265-T342 CarbonylContact O-C 3.58Å; V265-T342 VanDerWaalsContact O-CA 3.26Å; V265-T342 WeakPolarHBondContact O-CA 3.18Å; V265-A343 HydrophobicContact CG1-CB 3.85Å; V265-A343 VanDerWaalsContact CG1-O 3.31Å; V265-A343 WeakPolarHBondContact CG1-O 3.4Å; V265-A343 PolarHBondContact N-O 3.16Å; V265-A343 PolarHBondContact O-N 2.73Å; V265-L345 HydrophobicContact CB-CD2 4.18Å; V265-L345 HydrophobicContact CB-CG 4.22Å; V265-L345 HydrophobicContact CG1-CD2 3.97Å; V265-L345 HydrophobicContact CG1-CG 4.17Å; V265-A354 HydrophobicContact CG2-CB 3.81Å |
| 266 | T | 96.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.2 | -177.8 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | V258 T259 V340 V341 T342 | V258-T266 WeakPolarHBondContact CA-O 3.34Å; T259-T266 PolarHBondContact N-O 3.04Å; T259-T266 PolarHBondContact O-N 2.84Å; T266-V340 HydrophobicContact CG2-CG1 3.59Å; T266-V341 WeakPolarHBondContact CA-O 3.43Å; T266-T342 HydrophobicContact CG2-CG2 4.06Å |
| 267 | T | 93.9 | Very high | 90.6 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 149.7 | 164.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L257 P269 L311 V341 | L257-T267 WeakPolarHBondContact O-CB 3.36Å; L257-T267 PolarHBondContact O-OG1 3.05Å; T267-P269 WeakPolarHBondContact O-CD 3.47Å; T267-L311 HydrophobicContact CG2-CD1 4.09Å; T267-L311 HydrophobicContact CG2-CG 4.34Å; T267-V341 HydrophobicContact CG2-CB 3.77Å; T267-V341 HydrophobicContact CG2-CG2 4.31Å; T267-V341 PolarHBondContact N-O 3.18Å; T267-V341 PolarHBondContact O-N 2.92Å |
| 268 | N | 89.7 | Confident | 90 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 18% | 0.176 | 25% | 0.25 | C | C | . | . | trans | -126.7 | 78.5 | -172.8 | -173.8 | 78.2 | 0 | 0 | 0 | 111.2 | I270 V338 S339 V340 | N268-I270 WeakPolarHBondContact ND2-CG1 3.47Å; N268-I270 WeakPolarHBondContact O-CG1 3.49Å; N268-I270 PolarHBondContact O-N 3.18Å; N268-V338 VanDerWaalsContact OD1-CG1 3.25Å; N268-V338 WeakPolarHBondContact OD1-CG1 3.29Å; N268-S339 CarbonylContact C-O 3.35Å; N268-S339 WeakPolarHBondContact CA-O 2.96Å; N268-S339 PolarHBondContact OD1-O 3.42Å; N268-V340 WeakPolarHBondContact OD1-CG2 3.14Å | ||
| 269 | P | 87.2 | Confident | 89.5 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | trans | -55.8 | 127.8 | 175.3 | -26.5 | 34.8 | 0 | 0 | 0 | 112.3 | T267 H300 L303 V304 S339 V341 | T267-P269 WeakPolarHBondContact O-CD 3.47Å; P269-H300 PolarHBondContact O-CE1 3.44Å; P269-H300 VanDerWaalsContact O-CE1 3.25Å; P269-L303 HydrophobicContact CB-CB 4.1Å; P269-V304 HydrophobicContact CB-CG2 4.3Å; P269-V304 HydrophobicContact CG-CG2 4.37Å; P269-S339 VanDerWaalsContact CD-O 3.24Å; P269-S339 WeakPolarHBondContact CD-O 3.08Å; P269-S339 PolarHBondContact O-N 3.45Å; P269-S339 VanDerWaalsContact O-N 3.14Å; P269-V341 HydrophobicContact CG-CG2 4.28Å | ||
| 270 | I | 86.4 | Confident | 89.2 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124 | 173.4 | -53 | -178.8 | 0 | 0 | 0 | 108.5 | E255 N268 H336 V338 | E255-I270 HydrophobicContact CG-CD1 4.25Å; E255-I270 HydrophobicContact CG-CG1 4.32Å; N268-I270 WeakPolarHBondContact ND2-CG1 3.47Å; N268-I270 WeakPolarHBondContact O-CG1 3.49Å; N268-I270 PolarHBondContact O-N 3.18Å; I270-H336 HydrophobicContact CG2-CB 3.61Å; I270-V338 HydrophobicContact CG1-CG2 4.26Å; I270-V338 HydrophobicContact CG2-CG2 4.37Å |
| 271 | A | 84 | Confident | 89 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 152.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | H300 L303 L337 | A271-H300 HydrophobicContact CB-CB 4.15Å; A271-H300 PolarHBondContact N-ND1 3.3Å; A271-H300 PolarHBondContact O-ND1 3.22Å; A271-H300 VanDerWaalsContact O-ND1 3.15Å; A271-L303 HydrophobicContact CB-CD1 3.42Å; A271-L303 VanDerWaalsContact CB-CD1 3.42Å; A271-L337 PolarHBondContact N-O 3.03Å; A271-L337 VanDerWaalsContact O-CB 3.26Å; A271-L337 WeakPolarHBondContact O-CB 3.34Å |
| 272 | G | 83.7 | Confident | 89 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 6% | 0.062 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.2 | 130 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E296 H336 L337 | G272-E296 WeakPolarHBondContact CA-OE2 3.28Å; G272-H336 VanDerWaalsContact O-CA 3.27Å; G272-H336 WeakPolarHBondContact O-CA 3.38Å; G272-H336 PolarHBondContact O-ND1 3.46Å; G272-L337 PolarHBondContact O-N 3.49Å |
| 273 | T | 83.5 | Confident | 89.1 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 140.5 | -172.3 | -54.1 | 0 | 0 | 0 | 0 | 111.4 | V334 M335 H336 | T273-V334 HydrophobicContact CG2-CB 3.87Å; T273-V334 HydrophobicContact CG2-CG1 3.96Å; T273-V334 HydrophobicContact CG2-CG2 4.49Å; T273-M335 WeakPolarHBondContact CA-O 3.29Å; T273-H336 VanDerWaalsContact CG2-CE1 3.44Å; T273-H336 WeakPolarHBondContact CG2-CE1 3.35Å; T273-H336 PolarHBondContact OG1-CE1 2.97Å; T273-H336 PolarHBondContact OG1-ND1 3.28Å |
| 274 | R | 86.3 | Confident | 89.2 | Confident | 45 Ų | 45 | 56.8 Ų | 56.8 | 17% | 0.17 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154 | 161.4 | -70 | -63.6 | -176.5 | -85.1 | -0.3 | 110.1 | L286 E289 L290 D293 E296 V334 M335 | R274-L286 HydrophobicContact CB-CB 4.42Å; R274-E289 IonicContact CZ-OE1 3.77Å; R274-E289 IonicContact NE-OE1 3.92Å; R274-E289 PolarHBondContact NE-OE1 2.93Å; R274-E289 IonicContact NH2-OE1 2.89Å; R274-E289 PolarHBondContact NH2-OE1 2.88Å; R274-L290 HydrophobicContact CB-CD2 4.4Å; R274-L290 HydrophobicContact CG-CB 3.81Å; R274-L290 HydrophobicContact CG-CD1 4.31Å; R274-L290 HydrophobicContact CG-CD2 4.21Å; R274-L290 HydrophobicContact CG-CG 4.32Å; R274-D293 IonicContact CZ-OD2 3.8Å; R274-D293 IonicContact NH2-OD2 3.94Å; R274-D293 PolarHBondContact NH2-OD2 2.83Å; R274-E296 IonicContact NH1-OE1 2.88Å; R274-E296 PolarHBondContact NH1-OE1 3.31Å; R274-V334 CarbonylContact O-C 3.53Å; R274-V334 VanDerWaalsContact O-CA 3.22Å; R274-V334 WeakPolarHBondContact O-CA 3.46Å; R274-V334 WeakPolarHBondContact O-CB 3.39Å; R274-M335 HydrophobicContact CB-CG 3.99Å; R274-M335 HydrophobicContact CB-SD 4.37Å; R274-M335 PolarHBondContact N-O 3.48Å; R274-M335 VanDerWaalsContact N-O 3.08Å; R274-M335 PolarHBondContact O-N 3.28Å |
| 275 | K | 86.7 | Confident | 89.1 | Confident | 128 Ų | 128 | 55.6 Ų | 55.6 | 56% | 0.557 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 156.5 | 168.5 | 64.4 | 176.9 | -174.8 | 170.9 | 0 | 110 | E282 L286 | K275-E282 IonicContact NZ-OE1 3.73Å; K275-L286 HydrophobicContact CG-CD1 4.1Å; K275-L286 WeakPolarHBondContact O-CD1 3.25Å |
| 276 | R | 87.6 | Confident | 89 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 145.2 | 165.8 | -63.4 | -61.3 | -56.9 | -69.9 | -6.3 | 110.2 | D283 Y331 F333 | R276-D283 WeakPolarHBondContact CA-OD1 3.23Å; R276-D283 WeakPolarHBondContact CD-OD1 3.4Å; R276-D283 IonicContact CZ-OD1 3.48Å; R276-D283 IonicContact CZ-OD2 3.33Å; R276-D283 IonicContact NE-OD1 2.75Å; R276-D283 PolarHBondContact NE-OD1 3.49Å; R276-D283 IonicContact NE-OD2 3.48Å; R276-D283 PolarHBondContact NE-OD2 3.27Å; R276-D283 IonicContact NH2-OD1 3.57Å; R276-D283 IonicContact NH2-OD2 2.8Å; R276-D283 PolarHBondContact NH2-OD2 2.81Å; R276-Y331 WeakPolarHBondContact CD-O 3.5Å; R276-Y331 PolarHBondContact NH1-O 3.11Å; R276-F333 VanDerWaalsContact CG-C 3.47Å; R276-F333 PolarHBondContact N-O 3.14Å |
| 277 | G | 82.2 | Confident | 89 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 153 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | N279 D283 | G277-N279 PolarHBondContact O-N 3.14Å; G277-D283 PolarHBondContact N-OD1 3.43Å |
| 278 | A | 83.4 | Confident | 89 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 79% | 0.785 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68.7 | -19.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E282 | A278-E282 VanDerWaalsContact CB-OE2 3.28Å; A278-E282 WeakPolarHBondContact CB-OE2 3.43Å; A278-E282 PolarHBondContact N-OE2 3.42Å |
| 279 | N | 87.7 | Confident | 89.2 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -143 | 172 | 173.3 | 61.6 | 56.7 | 0 | 0 | 0 | 109.9 | G277 E281 E282 D283 | G277-N279 PolarHBondContact O-N 3.14Å; N279-E281 VanDerWaalsContact C-N 3.33Å; N279-E281 PolarHBondContact O-N 3.11Å; N279-E281 PolarHBondContact OD1-N 2.67Å; N279-E281 VanDerWaalsContact OD1-N 3.12Å; N279-E282 PolarHBondContact O-N 2.77Å; N279-E282 PolarHBondContact OD1-N 3.3Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 2.74Å |
| 280 | Q | 89.8 | Confident | 89.5 | Confident | 147 Ų | 147 | 63 Ų | 63 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | -176.9 | -176.8 | 177.8 | -11.6 | 0 | 0 | 113.3 | D283 E284 | Q280-D283 PolarHBondContact O-N 2.89Å; Q280-E284 PolarHBondContact NE2-OE1 3.43Å; Q280-E284 WeakPolarHBondContact O-CG 3.33Å; Q280-E284 PolarHBondContact O-N 3.41Å |
| 281 | E | 91.8 | Very high | 89.9 | Confident | 163 Ų | 163 | 66.1 Ų | 66.1 | 76% | 0.762 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.4 | -45.2 | -178.7 | -174.3 | 176.3 | -176.1 | 0 | 0 | 111.3 | N279 D283 E284 A285 | N279-E281 VanDerWaalsContact C-N 3.33Å; N279-E281 PolarHBondContact O-N 3.11Å; N279-E281 PolarHBondContact OD1-N 2.67Å; N279-E281 VanDerWaalsContact OD1-N 3.12Å; E281-D283 VanDerWaalsContact C-N 3.34Å; E281-E284 PolarHBondContact O-N 3.05Å; E281-A285 WeakPolarHBondContact O-CB 3.5Å; E281-A285 PolarHBondContact O-N 3.02Å |
| 282 | E | 92.2 | Very high | 90.3 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 173.1 | -169.1 | -172.7 | 175.7 | 0 | 0 | 111.1 | K275 A278 N279 E284 A285 L286 | K275-E282 IonicContact NZ-OE1 3.73Å; A278-E282 VanDerWaalsContact CB-OE2 3.28Å; A278-E282 WeakPolarHBondContact CB-OE2 3.43Å; A278-E282 PolarHBondContact N-OE2 3.42Å; N279-E282 PolarHBondContact O-N 2.77Å; N279-E282 PolarHBondContact OD1-N 3.3Å; E282-E284 PolarHBondContact O-N 2.81Å; E282-A285 PolarHBondContact O-N 2.98Å; E282-L286 HydrophobicContact CG-CD1 4.07Å; E282-L286 HydrophobicContact CG-CG 4.43Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 2.83Å |
| 283 | D | 92.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 178.6 | -161 | 67.4 | 0 | 0 | 0 | 112.3 | R276 G277 N279 Q280 E281 A287 R330 M335 | R276-D283 WeakPolarHBondContact CA-OD1 3.23Å; R276-D283 WeakPolarHBondContact CD-OD1 3.4Å; R276-D283 IonicContact CZ-OD1 3.48Å; R276-D283 IonicContact CZ-OD2 3.33Å; R276-D283 IonicContact NE-OD1 2.75Å; R276-D283 PolarHBondContact NE-OD1 3.49Å; R276-D283 IonicContact NE-OD2 3.48Å; R276-D283 PolarHBondContact NE-OD2 3.27Å; R276-D283 IonicContact NH2-OD1 3.57Å; R276-D283 IonicContact NH2-OD2 2.8Å; R276-D283 PolarHBondContact NH2-OD2 2.81Å; G277-D283 PolarHBondContact N-OD1 3.43Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 2.74Å; Q280-D283 PolarHBondContact O-N 2.89Å; E281-D283 VanDerWaalsContact C-N 3.34Å; D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 2.71Å; D283-R330 WeakPolarHBondContact OD2-CD 3.43Å; D283-R330 IonicContact OD2-NE 3.77Å; D283-R330 PolarHBondContact OD2-NE 3.27Å; D283-M335 WeakPolarHBondContact O-CE 3.46Å; D283-M335 WeakPolarHBondContact OD1-CE 3.23Å |
| 284 | E | 95.5 | Very high | 90.7 | Very high | 82 Ų | 82 | 74.8 Ų | 74.8 | 38% | 0.383 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.4 | -35.9 | 174 | -73.4 | 179.5 | -162.4 | 0 | 0 | 112.4 | Q280 E281 E282 A287 K288 | Q280-E284 PolarHBondContact NE2-OE1 3.43Å; Q280-E284 WeakPolarHBondContact O-CG 3.33Å; Q280-E284 PolarHBondContact O-N 3.41Å; E281-E284 PolarHBondContact O-N 3.05Å; E282-E284 PolarHBondContact O-N 2.81Å; E284-A287 PolarHBondContact O-N 2.87Å; E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 2.75Å |
| 285 | A | 94.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 77 Ų | 77 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E281 E282 A287 K288 E289 | E281-A285 WeakPolarHBondContact O-CB 3.5Å; E281-A285 PolarHBondContact O-N 3.02Å; E282-A285 PolarHBondContact O-N 2.98Å; A285-A287 VanDerWaalsContact C-N 3.33Å; A285-A287 PolarHBondContact O-N 3.35Å; A285-K288 PolarHBondContact O-N 2.83Å; A285-E289 PolarHBondContact O-N 2.87Å |
| 286 | L | 94.8 | Very high | 90.6 | Very high | 19 Ų | 19 | 72.4 Ų | 72.4 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 176.1 | -70.7 | 169.4 | 0 | 0 | 0 | 111.9 | R274 K275 E282 E289 L290 M335 | R274-L286 HydrophobicContact CB-CB 4.42Å; K275-L286 HydrophobicContact CG-CD1 4.1Å; K275-L286 WeakPolarHBondContact O-CD1 3.25Å; E282-L286 HydrophobicContact CG-CD1 4.07Å; E282-L286 HydrophobicContact CG-CG 4.43Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.29Å; E282-L286 WeakPolarHBondContact O-CG 3.44Å; E282-L286 PolarHBondContact O-N 2.83Å; L286-E289 PolarHBondContact O-N 3.19Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 PolarHBondContact O-N 3.41Å; L286-M335 HydrophobicContact CB-CE 4.1Å; L286-M335 HydrophobicContact CB-SD 4.46Å |
| 287 | A | 95.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.033 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D283 E284 A285 L290 Q291 I328 M335 | D283-A287 WeakPolarHBondContact O-CB 3.46Å; D283-A287 PolarHBondContact O-N 2.71Å; E284-A287 PolarHBondContact O-N 2.87Å; A285-A287 VanDerWaalsContact C-N 3.33Å; A285-A287 PolarHBondContact O-N 3.35Å; A287-L290 PolarHBondContact O-N 3.14Å; A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 VanDerWaalsContact O-CG 3.32Å; A287-Q291 WeakPolarHBondContact O-CG 3.39Å; A287-Q291 PolarHBondContact O-N 3.42Å; A287-I328 HydrophobicContact CB-CG1 4.39Å; A287-I328 HydrophobicContact CB-CG2 4.21Å; A287-M335 WeakPolarHBondContact CA-SD 3.41Å; A287-M335 HydrophobicContact CB-CE 4.45Å; A287-M335 HydrophobicContact CB-SD 3.63Å |
| 288 | K | 95 | Very high | 90.9 | Very high | 128 Ų | 128 | 71.8 Ų | 71.8 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 175.4 | -75.8 | 173 | -175.7 | 166.4 | 0 | 111.9 | E284 A285 N292 | E284-K288 WeakPolarHBondContact O-CG 3.41Å; E284-K288 PolarHBondContact O-N 2.75Å; A285-K288 PolarHBondContact O-N 2.83Å; K288-N292 WeakPolarHBondContact O-CB 3.08Å; K288-N292 PolarHBondContact O-N 3.05Å; K288-N292 PolarHBondContact O-ND2 2.95Å |
| 289 | E | 94.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -52.4 | 174.4 | -171.4 | -159.6 | 130.2 | 0 | 0 | 110.2 | R274 A285 L286 Q291 N292 D293 | R274-E289 IonicContact CZ-OE1 3.77Å; R274-E289 IonicContact NE-OE1 3.92Å; R274-E289 PolarHBondContact NE-OE1 2.93Å; R274-E289 IonicContact NH2-OE1 2.89Å; R274-E289 PolarHBondContact NH2-OE1 2.88Å; A285-E289 PolarHBondContact O-N 2.87Å; L286-E289 PolarHBondContact O-N 3.19Å; E289-Q291 VanDerWaalsContact C-N 3.35Å; E289-Q291 PolarHBondContact O-N 3.43Å; E289-N292 CarbonylContact O-C 3.58Å; E289-N292 PolarHBondContact O-N 2.96Å; E289-D293 PolarHBondContact O-N 2.76Å |
| 290 | L | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 179.3 | -177.8 | 56.2 | 0 | 0 | 0 | 112.6 | R274 L286 A287 N292 D293 E296 I328 M335 L337 | R274-L290 HydrophobicContact CB-CD2 4.4Å; R274-L290 HydrophobicContact CG-CB 3.81Å; R274-L290 HydrophobicContact CG-CD1 4.31Å; R274-L290 HydrophobicContact CG-CD2 4.21Å; R274-L290 HydrophobicContact CG-CG 4.32Å; L286-L290 WeakPolarHBondContact O-CB 3.34Å; L286-L290 PolarHBondContact O-N 3.41Å; A287-L290 PolarHBondContact O-N 3.14Å; L290-N292 PolarHBondContact O-N 3.36Å; L290-D293 PolarHBondContact O-N 3.45Å; L290-E296 HydrophobicContact CD1-CB 3.99Å; L290-E296 HydrophobicContact CD1-CG 3.89Å; L290-I328 HydrophobicContact CB-CD1 4.13Å; L290-I328 HydrophobicContact CD2-CD1 3.64Å; L290-I328 HydrophobicContact CG-CD1 3.95Å; L290-M335 HydrophobicContact CD2-CG 4.06Å; L290-L337 HydrophobicContact CD1-CD1 4.23Å; L290-L337 HydrophobicContact CD1-CG 4.3Å; L290-L337 HydrophobicContact CD2-CG 4.27Å; L290-L337 HydrophobicContact CG-CD1 4.26Å; L290-L337 HydrophobicContact CG-CD2 4.22Å; L290-L337 HydrophobicContact CG-CG 3.9Å |
| 291 | Q | 93.3 | Very high | 91.1 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 41% | 0.407 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -19.4 | 176.8 | -78.2 | -177.5 | -24.6 | 0 | 0 | 114.3 | A287 E289 I297 I328 L337 | A287-Q291 WeakPolarHBondContact O-CB 3.37Å; A287-Q291 VanDerWaalsContact O-CG 3.32Å; A287-Q291 WeakPolarHBondContact O-CG 3.39Å; A287-Q291 PolarHBondContact O-N 3.42Å; E289-Q291 VanDerWaalsContact C-N 3.35Å; E289-Q291 PolarHBondContact O-N 3.43Å; Q291-I297 WeakPolarHBondContact O-CD1 3.26Å; Q291-I328 HydrophobicContact CG-CD1 3.85Å; Q291-I328 HydrophobicContact CG-CG1 3.38Å; Q291-I328 VanDerWaalsContact NE2-CG1 3.28Å; Q291-L337 HydrophobicContact CG-CD2 4.06Å |
| 292 | N | 92.8 | Very high | 90.8 | Very high | 117 Ų | 117 | 58.4 Ų | 58.4 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -113.7 | -1.3 | -177.6 | -67.8 | -62.2 | 0 | 0 | 0 | 113.2 | K288 E289 L290 P294 | K288-N292 WeakPolarHBondContact O-CB 3.08Å; K288-N292 PolarHBondContact O-N 3.05Å; K288-N292 PolarHBondContact O-ND2 2.95Å; E289-N292 CarbonylContact O-C 3.58Å; E289-N292 PolarHBondContact O-N 2.96Å; L290-N292 PolarHBondContact O-N 3.36Å; N292-P294 WeakPolarHBondContact O-CD 3.44Å |
| 293 | D | 90 | Very high | 90.6 | Very high | 36 Ų | 36 | 55.8 Ų | 55.8 | 19% | 0.193 | 29% | 0.288 | C | S | . | . | trans | -68.7 | 110 | 177.3 | -172.9 | -30.8 | 0 | 0 | 0 | 109.8 | R274 E289 L290 K295 E296 I297 | R274-D293 IonicContact CZ-OD2 3.8Å; R274-D293 IonicContact NH2-OD2 3.94Å; R274-D293 PolarHBondContact NH2-OD2 2.83Å; E289-D293 PolarHBondContact O-N 2.76Å; L290-D293 PolarHBondContact O-N 3.45Å; D293-K295 PolarHBondContact O-N 2.91Å; D293-K295 VanDerWaalsContact O-N 3.16Å; D293-K295 WeakPolarHBondContact OD1-CB 3.47Å; D293-K295 PolarHBondContact OD1-N 3.42Å; D293-E296 HydrophobicContact CB-CB 3.99Å; D293-E296 HydrophobicContact CB-CG 3.75Å; D293-E296 VanDerWaalsContact CG-CG 3.43Å; D293-E296 PolarHBondContact O-N 3Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 WeakPolarHBondContact OD2-CG 3.47Å; D293-I297 WeakPolarHBondContact O-CB 3.49Å; D293-I297 WeakPolarHBondContact O-CD1 3.18Å; D293-I297 WeakPolarHBondContact O-CG1 3.44Å; D293-I297 PolarHBondContact O-N 2.93Å | ||
| 294 | P | 87.1 | Confident | 90.6 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.7 | -27.8 | -174.8 | -22.7 | 35 | 0 | 0 | 0 | 113.3 | N292 A298 | N292-P294 WeakPolarHBondContact O-CD 3.44Å; P294-A298 VanDerWaalsContact O-CB 3.28Å; P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.32Å |
| 295 | K | 82.6 | Confident | 90.4 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 40% | 0.404 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.8 | -53.5 | 178.6 | 178.4 | 178.3 | 175.1 | 165.8 | 0 | 110.2 | D293 I297 A298 E299 D427 | D293-K295 PolarHBondContact O-N 2.91Å; D293-K295 VanDerWaalsContact O-N 3.16Å; D293-K295 WeakPolarHBondContact OD1-CB 3.47Å; D293-K295 PolarHBondContact OD1-N 3.42Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.23Å; K295-A298 PolarHBondContact O-N 3.49Å; K295-A298 VanDerWaalsContact O-N 3.12Å; K295-E299 PolarHBondContact O-N 2.83Å; K295-D427 IonicContact NZ-OD1 2.73Å; K295-D427 PolarHBondContact NZ-OD1 3.43Å; K295-D427 IonicContact NZ-OD2 3.97Å; K295-D427 PolarHBondContact NZ-OD2 2.93Å |
| 296 | E | 86.9 | Confident | 90.2 | Very high | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | -177.9 | -56.9 | -76.5 | -159.8 | 0 | 0 | 111.2 | G272 R274 L290 D293 A298 E299 H300 L337 | G272-E296 WeakPolarHBondContact CA-OE2 3.28Å; R274-E296 IonicContact NH1-OE1 2.88Å; R274-E296 PolarHBondContact NH1-OE1 3.31Å; L290-E296 HydrophobicContact CD1-CB 3.99Å; L290-E296 HydrophobicContact CD1-CG 3.89Å; D293-E296 HydrophobicContact CB-CB 3.99Å; D293-E296 HydrophobicContact CB-CG 3.75Å; D293-E296 VanDerWaalsContact CG-CG 3.43Å; D293-E296 PolarHBondContact O-N 3Å; D293-E296 PolarHBondContact OD1-N 3.23Å; D293-E296 WeakPolarHBondContact OD2-CG 3.47Å; E296-A298 PolarHBondContact O-N 3.08Å; E296-E299 PolarHBondContact O-N 2.9Å; E296-H300 VanDerWaalsContact O-CB 3.26Å; E296-H300 WeakPolarHBondContact O-CB 3.44Å; E296-H300 PolarHBondContact O-N 2.79Å; E296-L337 HydrophobicContact CB-CD1 4.3Å |
| 297 | I | 90.2 | Very high | 90.1 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.4 | -65.9 | 165.3 | 0 | 0 | 0 | 111.3 | Q291 D293 K295 R301 L326 | Q291-I297 WeakPolarHBondContact O-CD1 3.26Å; D293-I297 WeakPolarHBondContact O-CB 3.49Å; D293-I297 WeakPolarHBondContact O-CD1 3.18Å; D293-I297 WeakPolarHBondContact O-CG1 3.44Å; D293-I297 PolarHBondContact O-N 2.93Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-I297 PolarHBondContact O-N 3.23Å; I297-R301 WeakPolarHBondContact O-CB 3.25Å; I297-R301 PolarHBondContact O-N 3.45Å; I297-L326 HydrophobicContact CG2-CD1 3.98Å |
| 298 | A | 85.3 | Confident | 90 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P294 K295 E296 R301 M302 | P294-A298 VanDerWaalsContact O-CB 3.28Å; P294-A298 WeakPolarHBondContact O-CB 3.48Å; P294-A298 PolarHBondContact O-N 3.32Å; K295-A298 PolarHBondContact O-N 3.49Å; K295-A298 VanDerWaalsContact O-N 3.12Å; E296-A298 PolarHBondContact O-N 3.08Å; A298-R301 PolarHBondContact O-N 3.01Å; A298-M302 PolarHBondContact O-N 2.99Å |
| 299 | E | 84.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 175.5 | -174.3 | 178 | 161.4 | 0 | 0 | 111.3 | K295 E296 R301 M302 L303 | K295-E299 PolarHBondContact O-N 2.83Å; E296-E299 PolarHBondContact O-N 2.9Å; E299-R301 PolarHBondContact O-N 3.39Å; E299-M302 WeakPolarHBondContact O-CB 3.34Å; E299-M302 PolarHBondContact O-N 2.79Å; E299-L303 PolarHBondContact O-N 3.15Å |
| 300 | H | 89.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.6 | -168.4 | 94.3 | 0 | 0 | 0 | 112 | P269 A271 E296 M302 L303 V304 L326 L337 S339 | P269-H300 PolarHBondContact O-CE1 3.44Å; P269-H300 VanDerWaalsContact O-CE1 3.25Å; A271-H300 HydrophobicContact CB-CB 4.15Å; A271-H300 PolarHBondContact N-ND1 3.3Å; A271-H300 PolarHBondContact O-ND1 3.22Å; A271-H300 VanDerWaalsContact O-ND1 3.15Å; E296-H300 VanDerWaalsContact O-CB 3.26Å; E296-H300 WeakPolarHBondContact O-CB 3.44Å; E296-H300 PolarHBondContact O-N 2.79Å; H300-M302 VanDerWaalsContact C-N 3.31Å; H300-M302 PolarHBondContact O-N 3.25Å; H300-L303 PolarHBondContact O-N 3.14Å; H300-V304 WeakPolarHBondContact O-CG2 3.32Å; H300-V304 PolarHBondContact O-N 2.76Å; H300-L326 HydrophobicContact CB-CD2 3.94Å; H300-L326 VanDerWaalsContact CD2-CD2 3.44Å; H300-L326 WeakPolarHBondContact CD2-CD2 3.19Å; H300-L337 HydrophobicContact CB-CD1 4.48Å; H300-L337 PolarHBondContact CE1-O 2.9Å; H300-L337 PolarHBondContact ND1-O 3.48Å; H300-S339 PolarHBondContact CD2-OG 3.05Å; H300-S339 WeakPolarHBondContact NE2-CB 3.3Å; H300-S339 PolarHBondContact NE2-N 2.72Å; H300-S339 PolarHBondContact NE2-OG 3.26Å |
| 301 | R | 91.1 | Very high | 89.9 | Confident | 121 Ų | 121 | 52.6 Ų | 52.6 | 46% | 0.457 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 177.1 | -176 | -178.3 | -61.5 | 161.3 | 6.7 | 111.9 | I297 A298 E299 L303 V304 D305 Y325 | I297-R301 WeakPolarHBondContact O-CB 3.25Å; I297-R301 PolarHBondContact O-N 3.45Å; A298-R301 PolarHBondContact O-N 3.01Å; E299-R301 PolarHBondContact O-N 3.39Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 2.99Å; R301-V304 PolarHBondContact O-N 3.43Å; R301-D305 PolarHBondContact O-N 2.94Å; R301-Y325 PolarHBondContact NE-OH 2.97Å |
| 302 | M | 86.9 | Confident | 90 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 21% | 0.212 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 176.9 | -178.4 | -169.9 | 68.3 | 0 | 0 | 111.7 | F207 Q208 A298 E299 H300 D305 L306 A367 | F207-M302 HydrophobicContact CB-SD 4.29Å; Q208-M302 HydrophobicContact CB-CE 3.93Å; Q208-M302 HydrophobicContact CB-SD 4.3Å; Q208-M302 HydrophobicContact CG-CE 4.38Å; Q208-M302 VanDerWaalsContact OE1-CE 3.29Å; A298-M302 PolarHBondContact O-N 2.99Å; E299-M302 WeakPolarHBondContact O-CB 3.34Å; E299-M302 PolarHBondContact O-N 2.79Å; H300-M302 VanDerWaalsContact C-N 3.31Å; H300-M302 PolarHBondContact O-N 3.25Å; M302-D305 PolarHBondContact O-N 3.21Å; M302-L306 PolarHBondContact O-N 2.75Å; M302-A367 HydrophobicContact CE-CB 4.16Å; M302-A367 HydrophobicContact CG-CB 3.94Å; M302-A367 HydrophobicContact SD-CB 3.46Å; M302-A367 WeakPolarHBondContact SD-CB 3.27Å |
| 303 | L | 88.2 | Confident | 90.1 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 177.6 | -64.9 | 168.7 | 0 | 0 | 0 | 112.5 | P269 A271 E299 H300 R301 D305 L306 G307 T363 | P269-L303 HydrophobicContact CB-CB 4.1Å; A271-L303 HydrophobicContact CB-CD1 3.42Å; A271-L303 VanDerWaalsContact CB-CD1 3.42Å; E299-L303 PolarHBondContact O-N 3.15Å; H300-L303 PolarHBondContact O-N 3.14Å; R301-L303 VanDerWaalsContact C-N 3.29Å; R301-L303 PolarHBondContact O-N 2.99Å; L303-D305 VanDerWaalsContact C-N 3.35Å; L303-L306 PolarHBondContact O-N 3.14Å; L303-G307 PolarHBondContact O-N 3.37Å; L303-T363 HydrophobicContact CD1-CG2 3.5Å; L303-T363 VanDerWaalsContact CD1-CG2 3.5Å; L303-T363 HydrophobicContact CD2-CG2 3.84Å; L303-T363 HydrophobicContact CG-CG2 4.28Å |
| 304 | V | 92.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | P269 H300 R301 L306 G307 R308 V322 Y325 S339 V341 | P269-V304 HydrophobicContact CB-CG2 4.3Å; P269-V304 HydrophobicContact CG-CG2 4.37Å; H300-V304 WeakPolarHBondContact O-CG2 3.32Å; H300-V304 PolarHBondContact O-N 2.76Å; R301-V304 PolarHBondContact O-N 3.43Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 2.95Å; V304-G307 PolarHBondContact O-N 3.3Å; V304-R308 HydrophobicContact CG1-CG 4.47Å; V304-R308 VanDerWaalsContact O-CG 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.38Å; V304-R308 PolarHBondContact O-N 2.81Å; V304-V322 HydrophobicContact CG1-CG1 4.14Å; V304-V322 HydrophobicContact CG1-CG2 4.14Å; V304-Y325 HydrophobicContact CG1-CD2 4.5Å; V304-Y325 HydrophobicContact CG1-CE2 4.46Å; V304-S339 VanDerWaalsContact CG2-CB 3.46Å; V304-S339 WeakPolarHBondContact CG2-OG 3.36Å; V304-V341 HydrophobicContact CG1-CG2 4.15Å |
| 305 | D | 91.1 | Very high | 90.8 | Very high | 60 Ų | 60 | 43.7 Ų | 43.7 | 32% | 0.321 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -35.3 | 178 | -76.9 | -30.7 | 0 | 0 | 0 | 112.3 | R301 M302 L303 R308 N309 | R301-D305 PolarHBondContact O-N 2.94Å; M302-D305 PolarHBondContact O-N 3.21Å; L303-D305 VanDerWaalsContact C-N 3.35Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 IonicContact OD1-CZ 3.84Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.42Å; D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.14Å; D305-N309 PolarHBondContact O-ND2 2.68Å |
| 306 | L | 89.9 | Confident | 91.5 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -46.5 | 172.6 | -170.9 | 64.7 | 0 | 0 | 0 | 111.7 | M302 L303 V304 R308 N309 D310 K369 | M302-L306 PolarHBondContact O-N 2.75Å; L303-L306 PolarHBondContact O-N 3.14Å; V304-L306 VanDerWaalsContact C-N 3.31Å; V304-L306 PolarHBondContact O-N 2.95Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 3.45Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.24Å; L306-N309 VanDerWaalsContact O-N 3.13Å; L306-D310 VanDerWaalsContact O-CG 3.32Å; L306-D310 PolarHBondContact O-N 3.17Å; L306-K369 HydrophobicContact CD1-CB 4.18Å |
| 307 | G | 92 | Very high | 91.8 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L303 V304 D310 L311 | L303-G307 PolarHBondContact O-N 3.37Å; V304-G307 PolarHBondContact O-N 3.3Å; G307-D310 PolarHBondContact O-N 3.47Å; G307-L311 WeakPolarHBondContact O-CG 3.43Å; G307-L311 PolarHBondContact O-N 2.9Å |
| 308 | R | 93.9 | Very high | 92 | Very high | 114 Ų | 114 | 51.4 Ų | 51.4 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 173.5 | -71.3 | 171.8 | 66.7 | -141.9 | -1.9 | 112.3 | V304 D305 L306 G312 V320 V322 V341 | V304-R308 HydrophobicContact CG1-CG 4.47Å; V304-R308 VanDerWaalsContact O-CG 3.29Å; V304-R308 WeakPolarHBondContact O-CG 3.38Å; V304-R308 PolarHBondContact O-N 2.81Å; D305-R308 PolarHBondContact O-N 3.32Å; D305-R308 IonicContact OD1-CZ 3.84Å; D305-R308 IonicContact OD1-NH1 3.61Å; D305-R308 PolarHBondContact OD1-NH1 3.42Å; L306-R308 VanDerWaalsContact C-N 3.32Å; L306-R308 PolarHBondContact O-N 3.45Å; R308-G312 PolarHBondContact O-N 3.41Å; R308-V320 HydrophobicContact CB-CG1 4.25Å; R308-V320 HydrophobicContact CG-CG1 4.17Å; R308-V322 HydrophobicContact CG-CG2 4.01Å; R308-V341 HydrophobicContact CB-CG1 4.46Å; R308-V341 HydrophobicContact CG-CG1 3.72Å; R308-V341 HydrophobicContact CG-CG2 4.39Å |
| 309 | N | 92.2 | Very high | 92.5 | Very high | 105 Ų | 105 | 49.9 Ų | 49.9 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | 178.3 | -73 | -27.2 | 0 | 0 | 0 | 111.8 | D305 L306 G312 K313 | D305-N309 WeakPolarHBondContact O-CB 3.34Å; D305-N309 PolarHBondContact O-N 3.14Å; D305-N309 PolarHBondContact O-ND2 2.68Å; L306-N309 WeakPolarHBondContact O-CB 3.28Å; L306-N309 PolarHBondContact O-N 3.24Å; L306-N309 VanDerWaalsContact O-N 3.13Å; N309-G312 PolarHBondContact O-N 2.78Å; N309-K313 PolarHBondContact O-N 2.61Å |
| 310 | D | 93.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -52.8 | 178.7 | -70.3 | -23.4 | 0 | 0 | 0 | 111 | L306 G307 G312 K313 A357 T358 K369 | L306-D310 VanDerWaalsContact O-CG 3.32Å; L306-D310 PolarHBondContact O-N 3.17Å; G307-D310 PolarHBondContact O-N 3.47Å; D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 2.85Å; D310-K313 WeakPolarHBondContact O-CB 3.3Å; D310-K313 PolarHBondContact O-N 3.03Å; D310-K313 IonicContact OD1-NZ 3.69Å; D310-A357 WeakPolarHBondContact CB-O 3.37Å; D310-A357 VanDerWaalsContact CG-O 3.29Å; D310-T358 HydrophobicContact CB-CG2 4.19Å; D310-K369 VanDerWaalsContact CG-NZ 3.33Å; D310-K369 IonicContact OD1-NZ 3.08Å; D310-K369 PolarHBondContact OD1-NZ 3.11Å; D310-K369 WeakPolarHBondContact OD2-CE 3.32Å; D310-K369 IonicContact OD2-NZ 2.74Å; D310-K369 PolarHBondContact OD2-NZ 3.3Å |
| 311 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -33.2 | 177 | -62.7 | -166.7 | 0 | 0 | 0 | 112 | V265 T267 G307 K313 I314 A315 V341 A343 T358 | V265-L311 HydrophobicContact CB-CD2 4.43Å; V265-L311 HydrophobicContact CG1-CD1 4.27Å; V265-L311 HydrophobicContact CG1-CD2 4.01Å; V265-L311 HydrophobicContact CG2-CD2 3.54Å; T267-L311 HydrophobicContact CG2-CD1 4.09Å; T267-L311 HydrophobicContact CG2-CG 4.34Å; G307-L311 WeakPolarHBondContact O-CG 3.43Å; G307-L311 PolarHBondContact O-N 2.9Å; L311-K313 PolarHBondContact O-N 2.87Å; L311-K313 VanDerWaalsContact O-N 3.15Å; L311-I314 HydrophobicContact CD2-CD1 4.46Å; L311-I314 VanDerWaalsContact O-CG1 3.3Å; L311-I314 WeakPolarHBondContact O-CG1 3.47Å; L311-I314 PolarHBondContact O-N 2.8Å; L311-I314 VanDerWaalsContact O-N 3.13Å; L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 2.86Å; L311-V341 HydrophobicContact CD1-CB 4.39Å; L311-V341 HydrophobicContact CD1-CG1 4.02Å; L311-A343 HydrophobicContact CB-CB 4.06Å; L311-A343 HydrophobicContact CD1-CB 4.14Å; L311-T358 HydrophobicContact CD2-CG2 3.97Å |
| 312 | G | 95.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58 | -27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R308 N309 D310 I314 | R308-G312 PolarHBondContact O-N 3.41Å; N309-G312 PolarHBondContact O-N 2.78Å; D310-G312 VanDerWaalsContact C-N 3.26Å; D310-G312 PolarHBondContact O-N 2.85Å; G312-I314 VanDerWaalsContact C-N 3.32Å; G312-I314 PolarHBondContact O-N 2.96Å |
| 313 | K | 93.7 | Very high | 94.1 | Very high | 109 Ų | 109 | 51.3 Ų | 51.3 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 177.7 | -64.9 | 169.3 | -174.8 | 171.2 | 0 | 112.2 | N309 D310 L311 K346 | N309-K313 PolarHBondContact O-N 2.61Å; D310-K313 WeakPolarHBondContact O-CB 3.3Å; D310-K313 PolarHBondContact O-N 3.03Å; D310-K313 IonicContact OD1-NZ 3.69Å; L311-K313 PolarHBondContact O-N 2.87Å; L311-K313 VanDerWaalsContact O-N 3.15Å; K313-K346 PolarHBondContact O-NZ 2.83Å |
| 314 | I | 96.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -112.8 | -7.2 | -170.4 | 62.7 | 178.1 | 0 | 0 | 0 | 113.6 | L311 G312 L345 K346 D353 A354 A357 | L311-I314 HydrophobicContact CD2-CD1 4.46Å; L311-I314 VanDerWaalsContact O-CG1 3.3Å; L311-I314 WeakPolarHBondContact O-CG1 3.47Å; L311-I314 PolarHBondContact O-N 2.8Å; L311-I314 VanDerWaalsContact O-N 3.13Å; G312-I314 VanDerWaalsContact C-N 3.32Å; G312-I314 PolarHBondContact O-N 2.96Å; I314-L345 HydrophobicContact CB-CD2 4.35Å; I314-L345 HydrophobicContact CD1-CD2 3.67Å; I314-L345 HydrophobicContact CG1-CD2 4.01Å; I314-K346 WeakPolarHBondContact O-CB 3.28Å; I314-K346 VanDerWaalsContact O-CG 3.27Å; I314-K346 WeakPolarHBondContact O-CG 3.32Å; I314-K346 PolarHBondContact O-N 3.01Å; I314-D353 HydrophobicContact CG2-CB 4.46Å; I314-A354 HydrophobicContact CD1-CB 3.8Å; I314-A357 HydrophobicContact CD1-CB 4.04Å; I314-A357 HydrophobicContact CG2-CB 3.94Å |
| 315 | A | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -88.3 | 148.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L311 H317 V320 A343 K344 K346 | L311-A315 WeakPolarHBondContact O-CB 3.27Å; L311-A315 PolarHBondContact O-N 2.86Å; A315-H317 PolarHBondContact O-N 3.37Å; A315-V320 HydrophobicContact CB-CG2 3.69Å; A315-A343 HydrophobicContact CB-CB 3.49Å; A315-A343 VanDerWaalsContact CB-CB 3.49Å; A315-K344 CarbonylContact C-O 3.58Å; A315-K344 VanDerWaalsContact CA-O 3.22Å; A315-K344 WeakPolarHBondContact CA-O 3.24Å; A315-K346 WeakPolarHBondContact O-CE 3.43Å; A315-K346 WeakPolarHBondContact O-CG 3.49Å |
| 316 | V | 97.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 130.9 | 166.1 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | G318 S319 K344 L345 | V316-G318 PolarHBondContact O-N 2.98Å; V316-S319 VanDerWaalsContact O-CB 3.29Å; V316-S319 WeakPolarHBondContact O-CB 3.35Å; V316-S319 PolarHBondContact O-N 3.37Å; V316-S319 PolarHBondContact O-OG 3.28Å; V316-K344 HydrophobicContact CG2-CB 4.48Å; V316-K344 HydrophobicContact CG2-CD 4.45Å; V316-K344 HydrophobicContact CG2-CG 4.25Å; V316-K344 PolarHBondContact N-O 3.15Å; V316-L345 WeakPolarHBondContact CG2-O 3.41Å |
| 317 | H | 93.4 | Very high | 94.6 | Very high | 191 Ų | 191 | 58.7 Ų | 58.7 | 88% | 0.884 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 125.3 | -176.7 | -177.6 | -77 | 0 | 0 | 0 | 111 | A315 | A315-H317 PolarHBondContact O-N 3.37Š|
| 318 | G | 93.9 | Very high | 94.6 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 73% | 0.732 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 0.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V316 | V316-G318 PolarHBondContact O-N 2.98Š|
| 319 | S | 96.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | trans | -88.1 | -11.3 | 177.7 | 70 | 0 | 0 | 0 | 0 | 114.6 | V316 T321 K344 | V316-S319 VanDerWaalsContact O-CB 3.29Å; V316-S319 WeakPolarHBondContact O-CB 3.35Å; V316-S319 PolarHBondContact O-N 3.37Å; V316-S319 PolarHBondContact O-OG 3.28Å; S319-T321 PolarHBondContact O-N 2.99Å; S319-K344 PolarHBondContact OG-N 3.18Å; S319-K344 VanDerWaalsContact OG-N 3.11Å; S319-K344 PolarHBondContact OG-O 3.4Å | ||
| 320 | V | 97 | Very high | 94.1 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | trans | -71.1 | 116.7 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | R308 A315 V341 T342 A343 | R308-V320 HydrophobicContact CB-CG1 4.25Å; R308-V320 HydrophobicContact CG-CG1 4.17Å; A315-V320 HydrophobicContact CB-CG2 3.69Å; V320-V341 HydrophobicContact CG1-CG1 4.01Å; V320-T342 CarbonylContact C-O 3.59Å; V320-T342 VanDerWaalsContact CA-O 3.31Å; V320-T342 WeakPolarHBondContact CA-O 3.22Å; V320-A343 HydrophobicContact CB-CB 4.38Å; V320-A343 HydrophobicContact CG2-CB 3.83Å | ||
| 321 | T | 96.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 159.3 | 179.5 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | S319 P323 V341 T342 | S319-T321 PolarHBondContact O-N 2.99Å; T321-P323 VanDerWaalsContact C-CD 3.49Å; T321-P323 WeakPolarHBondContact O-CD 3.47Å; T321-V341 WeakPolarHBondContact O-CA 3.3Å; T321-T342 PolarHBondContact N-O 2.9Å; T321-T342 PolarHBondContact O-N 3.38Å; T321-T342 PolarHBondContact OG1-OG1 3.01Å |
| 322 | V | 96.5 | Very high | 91.8 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.267 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 75.5 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | V304 R308 T324 Y325 V340 V341 | V304-V322 HydrophobicContact CG1-CG1 4.14Å; V304-V322 HydrophobicContact CG1-CG2 4.14Å; R308-V322 HydrophobicContact CG-CG2 4.01Å; V322-T324 VanDerWaalsContact CG1-O 3.32Å; V322-T324 WeakPolarHBondContact CG1-O 3.44Å; V322-T324 PolarHBondContact O-N 3.38Å; V322-Y325 HydrophobicContact CG1-CD2 4.1Å; V322-Y325 HydrophobicContact CG1-CG 4.42Å; V322-V340 CarbonylContact C-O 3.03Å; V322-V340 VanDerWaalsContact CA-O 3.27Å; V322-V340 WeakPolarHBondContact CA-O 3.4Å; V322-V340 WeakPolarHBondContact CG1-O 3.34Å; V322-V341 HydrophobicContact CG2-CG1 4.39Å; V322-V341 HydrophobicContact CG2-CG2 4.3Å |
| 323 | P | 94.4 | Very high | 90.5 | Very high | 86 Ų | 86 | 73 Ų | 73 | 56% | 0.558 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -30.7 | -172.9 | 23.3 | -35.8 | 0 | 0 | 0 | 113.6 | T321 V340 T342 | T321-P323 VanDerWaalsContact C-CD 3.49Å; T321-P323 WeakPolarHBondContact O-CD 3.47Å; P323-V340 VanDerWaalsContact CD-O 3.22Å; P323-V340 WeakPolarHBondContact CD-O 3.41Å; P323-V340 HydrophobicContact CG-CB 4.25Å; P323-V340 HydrophobicContact CG-CG1 4.12Å; P323-T342 HydrophobicContact CG-CG2 3.93Å |
| 324 | T | 92.3 | Very high | 89.9 | Confident | 50 Ų | 50 | 70 Ų | 70 | 31% | 0.307 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.7 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 107.6 | V322 T327 S339 V340 | V322-T324 VanDerWaalsContact CG1-O 3.32Å; V322-T324 WeakPolarHBondContact CG1-O 3.44Å; V322-T324 PolarHBondContact O-N 3.38Å; T324-T327 HydrophobicContact CG2-CG2 4.34Å; T324-T327 WeakPolarHBondContact CG2-OG1 3.47Å; T324-S339 CarbonylContact O-C 3.5Å; T324-S339 WeakPolarHBondContact O-CA 3.34Å; T324-S339 WeakPolarHBondContact O-CB 3.38Å; T324-V340 HydrophobicContact CG2-CG2 4.49Å; T324-V340 PolarHBondContact O-N 3.3Å |
| 325 | Y | 93.9 | Very high | 89.5 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 40% | 0.4 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 128.5 | -177.8 | 179.6 | -121.5 | 0 | 0 | 0 | 110.3 | R301 V304 V322 T327 S339 | R301-Y325 PolarHBondContact NE-OH 2.97Å; V304-Y325 HydrophobicContact CG1-CD2 4.5Å; V304-Y325 HydrophobicContact CG1-CE2 4.46Å; V322-Y325 HydrophobicContact CG1-CD2 4.1Å; V322-Y325 HydrophobicContact CG1-CG 4.42Å; Y325-T327 PolarHBondContact O-N 2.85Å; Y325-T327 VanDerWaalsContact O-N 3.14Å; Y325-T327 PolarHBondContact O-OG1 3.12Å; Y325-S339 WeakPolarHBondContact CA-OG 3.45Å |
| 326 | L | 91.4 | Very high | 89.1 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 44 | 176.7 | -71.3 | 170.9 | 0 | 0 | 0 | 113.4 | I297 H300 L337 V338 S339 | I297-L326 HydrophobicContact CG2-CD1 3.98Å; H300-L326 HydrophobicContact CB-CD2 3.94Å; H300-L326 VanDerWaalsContact CD2-CD2 3.44Å; H300-L326 WeakPolarHBondContact CD2-CD2 3.19Å; L326-L337 HydrophobicContact CD2-CB 4.45Å; L326-L337 HydrophobicContact CD2-CD1 4.08Å; L326-V338 PolarHBondContact N-O 2.75Å; L326-S339 PolarHBondContact N-OG 3.22Å |
| 327 | T | 93.5 | Very high | 88.8 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 40% | 0.399 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.2 | -177.8 | -60.1 | 0 | 0 | 0 | 0 | 110 | T324 Y325 E329 V338 | T324-T327 HydrophobicContact CG2-CG2 4.34Å; T324-T327 WeakPolarHBondContact CG2-OG1 3.47Å; Y325-T327 PolarHBondContact O-N 2.85Å; Y325-T327 VanDerWaalsContact O-N 3.14Å; Y325-T327 PolarHBondContact O-OG1 3.12Å; T327-E329 PolarHBondContact O-N 2.9Å; T327-V338 PolarHBondContact N-O 2.88Å; T327-V338 PolarHBondContact O-N 2.93Å |
| 328 | I | 92.5 | Very high | 88.8 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 120.2 | 176.1 | -70.4 | -75.3 | 0 | 0 | 0 | 109.2 | A287 L290 Q291 R330 M335 H336 L337 | A287-I328 HydrophobicContact CB-CG1 4.39Å; A287-I328 HydrophobicContact CB-CG2 4.21Å; L290-I328 HydrophobicContact CB-CD1 4.13Å; L290-I328 HydrophobicContact CD2-CD1 3.64Å; L290-I328 HydrophobicContact CG-CD1 3.95Å; Q291-I328 HydrophobicContact CG-CD1 3.85Å; Q291-I328 HydrophobicContact CG-CG1 3.38Å; Q291-I328 VanDerWaalsContact NE2-CG1 3.28Å; I328-R330 HydrophobicContact CG2-CG 4.16Å; I328-M335 HydrophobicContact CG2-CB 4.22Å; I328-M335 HydrophobicContact CG2-SD 4.29Å; I328-H336 WeakPolarHBondContact CA-O 3.3Å; I328-L337 HydrophobicContact CD1-CD2 3.62Å; I328-L337 HydrophobicContact CD1-CG 4.4Å; I328-L337 HydrophobicContact CG1-CD2 4.19Å |
| 329 | E | 88.5 | Confident | 88.7 | Confident | 76 Ų | 76 | 56.2 Ų | 56.2 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.6 | 169.6 | -160.2 | 171.2 | 145.7 | 0 | 0 | 109.3 | T327 Y331 M335 H336 V338 | T327-E329 PolarHBondContact O-N 2.9Å; E329-Y331 HydrophobicContact CB-CE2 4.03Å; E329-Y331 HydrophobicContact CG-CE2 4.06Å; E329-Y331 PolarHBondContact OE1-OH 3.46Å; E329-M335 CarbonylContact O-C 3.56Å; E329-M335 WeakPolarHBondContact O-CA 3.47Å; E329-M335 WeakPolarHBondContact O-CB 3.37Å; E329-H336 PolarHBondContact N-O 2.97Å; E329-H336 PolarHBondContact O-N 3.37Å; E329-V338 HydrophobicContact CB-CB 4.38Å; E329-V338 HydrophobicContact CB-CG2 3.65Å |
| 330 | R | 86.4 | Confident | 88.6 | Confident | 114 Ų | 114 | 56.3 Ų | 56.3 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121 | -175.8 | -69.7 | 178.1 | 176.2 | 74.7 | -0.1 | 110.1 | D283 I328 M335 | D283-R330 WeakPolarHBondContact OD2-CD 3.43Å; D283-R330 IonicContact OD2-NE 3.77Å; D283-R330 PolarHBondContact OD2-NE 3.27Å; I328-R330 HydrophobicContact CG2-CG 4.16Å; R330-M335 HydrophobicContact CG-CB 4.22Å |
| 331 | Y | 74.8 | Confident | 88.5 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | trans | -101.7 | -178.9 | 171.6 | -57.3 | -87.4 | 0 | 0 | 0 | 110.2 | R276 E329 F333 V334 H336 | R276-Y331 WeakPolarHBondContact CD-O 3.5Å; R276-Y331 PolarHBondContact NH1-O 3.11Å; E329-Y331 HydrophobicContact CB-CE2 4.03Å; E329-Y331 HydrophobicContact CG-CE2 4.06Å; E329-Y331 PolarHBondContact OE1-OH 3.46Å; Y331-F333 PolarHBondContact O-N 2.94Å; Y331-V334 CarbonylContact C-O 3.6Å; Y331-V334 WeakPolarHBondContact CA-O 3.42Å; Y331-V334 WeakPolarHBondContact CB-O 3.37Å; Y331-V334 PolarHBondContact N-O 2.74Å; Y331-H336 AromaticContact CD2-CD2 3.53Å; Y331-H336 HydrophobicContact CE2-CB 4.26Å; Y331-H336 AromaticContact CE2-CD2 3.36Å; Y331-H336 WeakPolarHBondContact CE2-CD2 3.44Å | ||
| 332 | Q | 66.3 | Low | 88.5 | Confident | 139 Ų | 139 | 51.8 Ų | 51.8 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -60.9 | -41.6 | -176 | -174.8 | 175 | -5.3 | 0 | 0 | 113.1 | ||
| 333 | F | 69 | Low | 88.6 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.64 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -115.8 | -19.9 | -174.3 | -56.4 | -66.3 | 0 | 0 | 0 | 114.4 | R276 Y331 | R276-F333 VanDerWaalsContact CG-C 3.47Å; R276-F333 PolarHBondContact N-O 3.14Å; Y331-F333 PolarHBondContact O-N 2.94Å |
| 334 | V | 79.6 | Confident | 88.7 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 166.5 | -177.1 | -65 | 0 | 0 | 0 | 0 | 111.4 | T273 R274 Y331 H336 | T273-V334 HydrophobicContact CG2-CB 3.87Å; T273-V334 HydrophobicContact CG2-CG1 3.96Å; T273-V334 HydrophobicContact CG2-CG2 4.49Å; R274-V334 CarbonylContact O-C 3.53Å; R274-V334 VanDerWaalsContact O-CA 3.22Å; R274-V334 WeakPolarHBondContact O-CA 3.46Å; R274-V334 WeakPolarHBondContact O-CB 3.39Å; Y331-V334 CarbonylContact C-O 3.6Å; Y331-V334 WeakPolarHBondContact CA-O 3.42Å; Y331-V334 WeakPolarHBondContact CB-O 3.37Å; Y331-V334 PolarHBondContact N-O 2.74Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.4Å |
| 335 | M | 87.7 | Confident | 89 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.4 | 166.3 | 65.8 | -175.8 | 75.9 | 0 | 0 | 109.8 | T273 R274 D283 L286 A287 L290 I328 E329 R330 | T273-M335 WeakPolarHBondContact CA-O 3.29Å; R274-M335 HydrophobicContact CB-CG 3.99Å; R274-M335 HydrophobicContact CB-SD 4.37Å; R274-M335 PolarHBondContact N-O 3.48Å; R274-M335 VanDerWaalsContact N-O 3.08Å; R274-M335 PolarHBondContact O-N 3.28Å; D283-M335 WeakPolarHBondContact O-CE 3.46Å; D283-M335 WeakPolarHBondContact OD1-CE 3.23Å; L286-M335 HydrophobicContact CB-CE 4.1Å; L286-M335 HydrophobicContact CB-SD 4.46Å; A287-M335 WeakPolarHBondContact CA-SD 3.41Å; A287-M335 HydrophobicContact CB-CE 4.45Å; A287-M335 HydrophobicContact CB-SD 3.63Å; L290-M335 HydrophobicContact CD2-CG 4.06Å; I328-M335 HydrophobicContact CG2-CB 4.22Å; I328-M335 HydrophobicContact CG2-SD 4.29Å; E329-M335 CarbonylContact O-C 3.56Å; E329-M335 WeakPolarHBondContact O-CA 3.47Å; E329-M335 WeakPolarHBondContact O-CB 3.37Å; R330-M335 HydrophobicContact CG-CB 4.22Å |
| 336 | H | 89.1 | Confident | 89.1 | Confident | 34 Ų | 34 | 46.6 Ų | 46.6 | 16% | 0.157 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.1 | -178.3 | -62.5 | -55.9 | 0 | 0 | 0 | 112.2 | I270 G272 T273 I328 E329 Y331 V334 V338 | I270-H336 HydrophobicContact CG2-CB 3.61Å; G272-H336 VanDerWaalsContact O-CA 3.27Å; G272-H336 WeakPolarHBondContact O-CA 3.38Å; G272-H336 PolarHBondContact O-ND1 3.46Å; T273-H336 VanDerWaalsContact CG2-CE1 3.44Å; T273-H336 WeakPolarHBondContact CG2-CE1 3.35Å; T273-H336 PolarHBondContact OG1-CE1 2.97Å; T273-H336 PolarHBondContact OG1-ND1 3.28Å; I328-H336 WeakPolarHBondContact CA-O 3.3Å; E329-H336 PolarHBondContact N-O 2.97Å; E329-H336 PolarHBondContact O-N 3.37Å; Y331-H336 AromaticContact CD2-CD2 3.53Å; Y331-H336 HydrophobicContact CE2-CB 4.26Å; Y331-H336 AromaticContact CE2-CD2 3.36Å; Y331-H336 WeakPolarHBondContact CE2-CD2 3.44Å; V334-H336 WeakPolarHBondContact CG2-NE2 3.4Å; H336-V338 HydrophobicContact CB-CG2 4.17Å |
| 337 | L | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 129.7 | 158 | -55.2 | 164.1 | 0 | 0 | 0 | 107.9 | A271 G272 L290 Q291 E296 H300 L326 I328 | A271-L337 PolarHBondContact N-O 3.03Å; A271-L337 VanDerWaalsContact O-CB 3.26Å; A271-L337 WeakPolarHBondContact O-CB 3.34Å; G272-L337 PolarHBondContact O-N 3.49Å; L290-L337 HydrophobicContact CD1-CD1 4.23Å; L290-L337 HydrophobicContact CD1-CG 4.3Å; L290-L337 HydrophobicContact CD2-CG 4.27Å; L290-L337 HydrophobicContact CG-CD1 4.26Å; L290-L337 HydrophobicContact CG-CD2 4.22Å; L290-L337 HydrophobicContact CG-CG 3.9Å; Q291-L337 HydrophobicContact CG-CD2 4.06Å; E296-L337 HydrophobicContact CB-CD1 4.3Å; H300-L337 HydrophobicContact CB-CD1 4.48Å; H300-L337 PolarHBondContact CE1-O 2.9Å; H300-L337 PolarHBondContact ND1-O 3.48Å; L326-L337 HydrophobicContact CD2-CB 4.45Å; L326-L337 HydrophobicContact CD2-CD1 4.08Å; I328-L337 HydrophobicContact CD1-CD2 3.62Å; I328-L337 HydrophobicContact CD1-CG 4.4Å; I328-L337 HydrophobicContact CG1-CD2 4.19Å |
| 338 | V | 91.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 139.3 | -178.9 | -178 | 0 | 0 | 0 | 0 | 109.1 | N268 I270 L326 T327 E329 H336 | N268-V338 VanDerWaalsContact OD1-CG1 3.25Å; N268-V338 WeakPolarHBondContact OD1-CG1 3.29Å; I270-V338 HydrophobicContact CG1-CG2 4.26Å; I270-V338 HydrophobicContact CG2-CG2 4.37Å; L326-V338 PolarHBondContact N-O 2.75Å; T327-V338 PolarHBondContact N-O 2.88Å; T327-V338 PolarHBondContact O-N 2.93Å; E329-V338 HydrophobicContact CB-CB 4.38Å; E329-V338 HydrophobicContact CB-CG2 3.65Å; H336-V338 HydrophobicContact CB-CG2 4.17Å |
| 339 | S | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.6 | 167.4 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | N268 P269 H300 V304 T324 Y325 L326 | N268-S339 CarbonylContact C-O 3.35Å; N268-S339 WeakPolarHBondContact CA-O 2.96Å; N268-S339 PolarHBondContact OD1-O 3.42Å; P269-S339 VanDerWaalsContact CD-O 3.24Å; P269-S339 WeakPolarHBondContact CD-O 3.08Å; P269-S339 PolarHBondContact O-N 3.45Å; P269-S339 VanDerWaalsContact O-N 3.14Å; H300-S339 PolarHBondContact CD2-OG 3.05Å; H300-S339 WeakPolarHBondContact NE2-CB 3.3Å; H300-S339 PolarHBondContact NE2-N 2.72Å; H300-S339 PolarHBondContact NE2-OG 3.26Å; V304-S339 VanDerWaalsContact CG2-CB 3.46Å; V304-S339 WeakPolarHBondContact CG2-OG 3.36Å; T324-S339 CarbonylContact O-C 3.5Å; T324-S339 WeakPolarHBondContact O-CA 3.34Å; T324-S339 WeakPolarHBondContact O-CB 3.38Å; Y325-S339 WeakPolarHBondContact CA-OG 3.45Å; L326-S339 PolarHBondContact N-OG 3.22Å |
| 340 | V | 93.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.2 | 175 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | T266 N268 V322 P323 T324 T342 | T266-V340 HydrophobicContact CG2-CG1 3.59Å; N268-V340 WeakPolarHBondContact OD1-CG2 3.14Å; V322-V340 CarbonylContact C-O 3.03Å; V322-V340 VanDerWaalsContact CA-O 3.27Å; V322-V340 WeakPolarHBondContact CA-O 3.4Å; V322-V340 WeakPolarHBondContact CG1-O 3.34Å; P323-V340 VanDerWaalsContact CD-O 3.22Å; P323-V340 WeakPolarHBondContact CD-O 3.41Å; P323-V340 HydrophobicContact CG-CB 4.25Å; P323-V340 HydrophobicContact CG-CG1 4.12Å; T324-V340 HydrophobicContact CG2-CG2 4.49Å; T324-V340 PolarHBondContact O-N 3.3Å; V340-T342 HydrophobicContact CG1-CG2 3.75Å |
| 341 | V | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.8 | 171.7 | -169.5 | 0 | 0 | 0 | 0 | 107.8 | T266 T267 P269 V304 R308 L311 V320 T321 V322 | T266-V341 WeakPolarHBondContact CA-O 3.43Å; T267-V341 HydrophobicContact CG2-CB 3.77Å; T267-V341 HydrophobicContact CG2-CG2 4.31Å; T267-V341 PolarHBondContact N-O 3.18Å; T267-V341 PolarHBondContact O-N 2.92Å; P269-V341 HydrophobicContact CG-CG2 4.28Å; V304-V341 HydrophobicContact CG1-CG2 4.15Å; R308-V341 HydrophobicContact CB-CG1 4.46Å; R308-V341 HydrophobicContact CG-CG1 3.72Å; R308-V341 HydrophobicContact CG-CG2 4.39Å; L311-V341 HydrophobicContact CD1-CB 4.39Å; L311-V341 HydrophobicContact CD1-CG1 4.02Å; V320-V341 HydrophobicContact CG1-CG1 4.01Å; T321-V341 WeakPolarHBondContact O-CA 3.3Å; V322-V341 HydrophobicContact CG2-CG1 4.39Å; V322-V341 HydrophobicContact CG2-CG2 4.3Å |
| 342 | T | 97.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 40.9 Ų | 40.9 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 152.7 | 179.4 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | V265 T266 V320 T321 P323 V340 | V265-T342 CarbonylContact O-C 3.58Å; V265-T342 VanDerWaalsContact O-CA 3.26Å; V265-T342 WeakPolarHBondContact O-CA 3.18Å; T266-T342 HydrophobicContact CG2-CG2 4.06Å; V320-T342 CarbonylContact C-O 3.59Å; V320-T342 VanDerWaalsContact CA-O 3.31Å; V320-T342 WeakPolarHBondContact CA-O 3.22Å; T321-T342 PolarHBondContact N-O 2.9Å; T321-T342 PolarHBondContact O-N 3.38Å; T321-T342 PolarHBondContact OG1-OG1 3.01Å; P323-T342 HydrophobicContact CG-CG2 3.93Å; V340-T342 HydrophobicContact CG1-CG2 3.75Å |
| 343 | A | 97.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V265 L311 A315 V320 | V265-A343 HydrophobicContact CG1-CB 3.85Å; V265-A343 VanDerWaalsContact CG1-O 3.31Å; V265-A343 WeakPolarHBondContact CG1-O 3.4Å; V265-A343 PolarHBondContact N-O 3.16Å; V265-A343 PolarHBondContact O-N 2.73Å; L311-A343 HydrophobicContact CB-CB 4.06Å; L311-A343 HydrophobicContact CD1-CB 4.14Å; A315-A343 HydrophobicContact CB-CB 3.49Å; A315-A343 VanDerWaalsContact CB-CB 3.49Å; V320-A343 HydrophobicContact CB-CB 4.38Å; V320-A343 HydrophobicContact CG2-CB 3.83Å |
| 344 | K | 97.7 | Very high | 94.2 | Very high | 88 Ų | 88 | 28.5 Ų | 28.5 | 38% | 0.383 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.9 | 171 | -176.3 | 175.3 | 175.9 | 155.3 | 0 | 109.3 | E263 A315 V316 S319 | E263-K344 HydrophobicContact CB-CG 4.09Å; E263-K344 CarbonylContact O-C 3.49Å; E263-K344 WeakPolarHBondContact O-CA 3.14Å; E263-K344 IonicContact OE1-NZ 2.89Å; E263-K344 WeakPolarHBondContact OE2-CE 3.27Å; E263-K344 IonicContact OE2-NZ 3.31Å; E263-K344 PolarHBondContact OE2-NZ 3.39Å; A315-K344 CarbonylContact C-O 3.58Å; A315-K344 VanDerWaalsContact CA-O 3.22Å; A315-K344 WeakPolarHBondContact CA-O 3.24Å; V316-K344 HydrophobicContact CG2-CB 4.48Å; V316-K344 HydrophobicContact CG2-CD 4.45Å; V316-K344 HydrophobicContact CG2-CG 4.25Å; V316-K344 PolarHBondContact N-O 3.15Å; S319-K344 PolarHBondContact OG-N 3.18Å; S319-K344 VanDerWaalsContact OG-N 3.11Å; S319-K344 PolarHBondContact OG-O 3.4Å |
| 345 | L | 97 | Very high | 95 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -58.7 | 141 | 176.7 | -72.6 | 173.9 | 0 | 0 | 0 | 111.6 | V260 E263 V265 I314 V316 H349 A354 | V260-L345 HydrophobicContact CG1-CD1 3.77Å; E263-L345 PolarHBondContact O-N 2.76Å; V265-L345 HydrophobicContact CB-CD2 4.18Å; V265-L345 HydrophobicContact CB-CG 4.22Å; V265-L345 HydrophobicContact CG1-CD2 3.97Å; V265-L345 HydrophobicContact CG1-CG 4.17Å; I314-L345 HydrophobicContact CB-CD2 4.35Å; I314-L345 HydrophobicContact CD1-CD2 3.67Å; I314-L345 HydrophobicContact CG1-CD2 4.01Å; V316-L345 WeakPolarHBondContact CG2-O 3.41Å; L345-H349 HydrophobicContact CD2-CB 4.48Å; L345-A354 HydrophobicContact CD2-CB 4.31Å |
| 346 | K | 96.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 28.6 Ų | 28.6 | 34% | 0.335 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 145 | 171.3 | -76 | 169.4 | -169.5 | 169.9 | 0 | 109.5 | K313 I314 A315 G348 H349 | K313-K346 PolarHBondContact O-NZ 2.83Å; I314-K346 WeakPolarHBondContact O-CB 3.28Å; I314-K346 VanDerWaalsContact O-CG 3.27Å; I314-K346 WeakPolarHBondContact O-CG 3.32Å; I314-K346 PolarHBondContact O-N 3.01Å; A315-K346 WeakPolarHBondContact O-CE 3.43Å; A315-K346 WeakPolarHBondContact O-CG 3.49Å; K346-G348 PolarHBondContact O-N 2.65Å; K346-H349 WeakPolarHBondContact O-CB 3.38Å; K346-H349 PolarHBondContact O-N 3.03Å |
| 347 | P | 94.1 | Very high | 95.8 | Very high | 114 Ų | 114 | 27.6 Ų | 27.6 | 74% | 0.74 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | 131.5 | 169.8 | -26.6 | 34.8 | 0 | 0 | 0 | 111.5 | H349 | P347-H349 VanDerWaalsContact C-N 3.34Š|
| 348 | G | 93 | Very high | 96 | Very high | 77 Ų | 77 | 27.7 Ų | 27.7 | 79% | 0.794 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -1.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K346 | K346-G348 PolarHBondContact O-N 2.65Š|
| 349 | H | 95.8 | Very high | 96.3 | Very high | 63 Ų | 63 | 28.1 Ų | 28.1 | 29% | 0.292 | 17% | 0.167 | S | C | . | . | trans | -92 | 146.5 | 166.1 | -68.7 | 55.1 | 0 | 0 | 0 | 110 | L345 K346 P347 D353 | L345-H349 HydrophobicContact CD2-CB 4.48Å; K346-H349 WeakPolarHBondContact O-CB 3.38Å; K346-H349 PolarHBondContact O-N 3.03Å; P347-H349 VanDerWaalsContact C-N 3.34Å; H349-D353 VanDerWaalsContact CA-OD2 3.28Å; H349-D353 WeakPolarHBondContact CA-OD2 3.24Å; H349-D353 HydrophobicContact CB-CB 4.14Å | ||
| 350 | T | 96.5 | Very high | 96.4 | Very high | 15 Ų | 15 | 28.1 Ų | 28.1 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | trans | -118.3 | 179.2 | -175.5 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | K70 E73 L77 M352 D353 A354 D398 | K70-T350 PolarHBondContact NZ-OG1 3.33Å; E73-T350 VanDerWaalsContact OE1-CG2 3.24Å; E73-T350 WeakPolarHBondContact OE1-CG2 3.36Å; E73-T350 WeakPolarHBondContact OE2-CB 3.41Å; E73-T350 PolarHBondContact OE2-OG1 3.11Å; L77-T350 HydrophobicContact CD1-CG2 4.48Å; T350-M352 PolarHBondContact O-N 2.51Å; T350-M352 PolarHBondContact OG1-N 2.92Å; T350-D353 PolarHBondContact N-OD2 2.65Å; T350-D353 WeakPolarHBondContact O-CB 3.04Å; T350-D353 PolarHBondContact O-N 3.04Å; T350-D353 VanDerWaalsContact O-N 3.12Å; T350-D353 PolarHBondContact OG1-OD2 2.89Å; T350-A354 PolarHBondContact O-N 3.38Å; T350-D398 WeakPolarHBondContact CA-OD2 3.42Å; T350-D398 WeakPolarHBondContact CB-OD1 3.45Å; T350-D398 VanDerWaalsContact CB-OD2 3.28Å; T350-D398 WeakPolarHBondContact CB-OD2 3.32Å | ||
| 351 | A | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -30.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | V260 A354 L355 L394 D398 A400 | V260-A351 HydrophobicContact CB-CB 3.95Å; V260-A351 HydrophobicContact CG1-CB 4.06Å; V260-A351 HydrophobicContact CG2-CB 4.04Å; A351-A354 WeakPolarHBondContact O-CB 3.36Å; A351-A354 PolarHBondContact O-N 3.35Å; A351-L355 PolarHBondContact O-N 3.42Å; A351-L394 HydrophobicContact CB-CD1 3.81Å; A351-D398 WeakPolarHBondContact CB-O 3.08Å; A351-D398 WeakPolarHBondContact CB-OD1 3.27Å; A351-D398 PolarHBondContact N-OD1 2.75Å; A351-D398 PolarHBondContact N-OD2 3.02Å; A351-A400 HydrophobicContact CB-CB 3.65Å |
| 352 | M | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.1 | -29.4 | 175.6 | -70.2 | -58.5 | 93.2 | 0 | 0 | 113 | L69 L72 E73 T350 A354 L355 K356 L394 F402 | L69-M352 HydrophobicContact CB-CB 4.23Å; L69-M352 HydrophobicContact CB-SD 4.43Å; L69-M352 HydrophobicContact CD2-SD 4.09Å; L69-M352 WeakPolarHBondContact O-CG 3.29Å; L72-M352 HydrophobicContact CD2-SD 4.13Å; E73-M352 HydrophobicContact CB-CG 4.08Å; T350-M352 PolarHBondContact O-N 2.51Å; T350-M352 PolarHBondContact OG1-N 2.92Å; M352-A354 VanDerWaalsContact C-N 3.31Å; M352-L355 HydrophobicContact CE-CB 4.27Å; M352-L355 HydrophobicContact CE-CD2 3.95Å; M352-L355 PolarHBondContact O-N 3.46Å; M352-L355 HydrophobicContact SD-CD2 4.21Å; M352-K356 VanDerWaalsContact O-CB 3.26Å; M352-K356 WeakPolarHBondContact O-CB 3.42Å; M352-K356 PolarHBondContact O-N 2.97Å; M352-L394 HydrophobicContact CE-CB 4.11Å; M352-L394 HydrophobicContact CE-CD1 4.04Å; M352-L394 HydrophobicContact CE-CD2 4.03Å; M352-L394 HydrophobicContact CE-CG 4.28Å; M352-L394 HydrophobicContact CG-CD2 3.81Å; M352-L394 HydrophobicContact SD-CD2 4.07Å; M352-F402 HydrophobicContact CE-CE2 3.68Å; M352-F402 HydrophobicContact CE-CZ 4.11Å |
| 353 | D | 97.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 28.3 Ų | 28.3 | 13% | 0.128 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -35.7 | 169.4 | -63.4 | -53.8 | 0 | 0 | 0 | 111.4 | K70 I314 H349 T350 K356 A357 | K70-D353 WeakPolarHBondContact CE-OD1 3.37Å; K70-D353 WeakPolarHBondContact CE-OD2 3.28Å; K70-D353 VanDerWaalsContact NZ-CG 3.29Å; K70-D353 IonicContact NZ-OD1 2.74Å; K70-D353 PolarHBondContact NZ-OD1 3.46Å; K70-D353 IonicContact NZ-OD2 3.41Å; K70-D353 PolarHBondContact NZ-OD2 3.16Å; I314-D353 HydrophobicContact CG2-CB 4.46Å; H349-D353 VanDerWaalsContact CA-OD2 3.28Å; H349-D353 WeakPolarHBondContact CA-OD2 3.24Å; H349-D353 HydrophobicContact CB-CB 4.14Å; T350-D353 PolarHBondContact N-OD2 2.65Å; T350-D353 WeakPolarHBondContact O-CB 3.04Å; T350-D353 PolarHBondContact O-N 3.04Å; T350-D353 VanDerWaalsContact O-N 3.12Å; T350-D353 PolarHBondContact OG1-OD2 2.89Å; D353-K356 PolarHBondContact O-N 3.35Å; D353-A357 WeakPolarHBondContact O-CB 3.39Å; D353-A357 PolarHBondContact O-N 3.35Å |
| 354 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V258 V260 V265 I314 L345 T350 A351 M352 A357 T358 | V258-A354 HydrophobicContact CG2-CB 4.1Å; V260-A354 HydrophobicContact CG2-CB 3.67Å; V265-A354 HydrophobicContact CG2-CB 3.81Å; I314-A354 HydrophobicContact CD1-CB 3.8Å; L345-A354 HydrophobicContact CD2-CB 4.31Å; T350-A354 PolarHBondContact O-N 3.38Å; A351-A354 WeakPolarHBondContact O-CB 3.36Å; A351-A354 PolarHBondContact O-N 3.35Å; M352-A354 VanDerWaalsContact C-N 3.31Å; A354-A357 PolarHBondContact O-N 3.19Å; A354-T358 WeakPolarHBondContact O-CG2 3.46Å; A354-T358 PolarHBondContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.2Å |
| 355 | L | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.4 | -177.1 | 58.2 | 0 | 0 | 0 | 111.3 | L69 V96 L257 V258 A351 M352 A357 T358 L359 A390 F402 | L69-L355 HydrophobicContact CD2-CD2 4.16Å; V96-L355 HydrophobicContact CB-CD2 4.49Å; V96-L355 HydrophobicContact CG2-CD2 3.77Å; L257-L355 HydrophobicContact CD2-CD1 3.5Å; L257-L355 HydrophobicContact CG-CD1 4.47Å; V258-L355 HydrophobicContact CG1-CB 4.36Å; V258-L355 HydrophobicContact CG1-CD1 3.98Å; A351-L355 PolarHBondContact O-N 3.42Å; M352-L355 HydrophobicContact CE-CB 4.27Å; M352-L355 HydrophobicContact CE-CD2 3.95Å; M352-L355 PolarHBondContact O-N 3.46Å; M352-L355 HydrophobicContact SD-CD2 4.21Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.39Å; L355-T358 PolarHBondContact O-N 2.84Å; L355-T358 PolarHBondContact O-OG1 2.81Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 PolarHBondContact O-N 3.43Å; L355-A390 HydrophobicContact CD1-CB 3.86Å; L355-F402 HydrophobicContact CD1-CB 4.38Å; L355-F402 HydrophobicContact CD1-CD2 4.19Å; L355-F402 HydrophobicContact CD1-CG 4.2Å; L355-F402 HydrophobicContact CD2-CD2 4.02Å; L355-F402 HydrophobicContact CD2-CE1 4.35Å; L355-F402 HydrophobicContact CD2-CE2 3.8Å; L355-F402 HydrophobicContact CD2-CG 4.37Å; L355-F402 HydrophobicContact CD2-CZ 3.98Å |
| 356 | K | 97 | Very high | 95.3 | Very high | 48 Ų | 48 | 24 Ų | 24 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -41.3 | 176.9 | -174.2 | 180 | -62.2 | 175.1 | 0 | 112.8 | D67 L69 Y104 M352 D353 T358 | D67-K356 WeakPolarHBondContact OD1-CE 3.19Å; D67-K356 IonicContact OD1-NZ 2.74Å; D67-K356 PolarHBondContact OD1-NZ 2.65Å; D67-K356 IonicContact OD2-NZ 3.33Å; D67-K356 PolarHBondContact OD2-NZ 2.79Å; L69-K356 HydrophobicContact CD1-CB 3.83Å; L69-K356 HydrophobicContact CD1-CG 4.4Å; Y104-K356 HydrophobicContact CD1-CD 3.84Å; Y104-K356 HydrophobicContact CD1-CG 4.24Å; Y104-K356 HydrophobicContact CD2-CD 4.31Å; Y104-K356 HydrophobicContact CD2-CG 3.8Å; Y104-K356 HydrophobicContact CE1-CD 3.86Å; Y104-K356 HydrophobicContact CE1-CG 4.35Å; Y104-K356 HydrophobicContact CE2-CD 4.32Å; Y104-K356 HydrophobicContact CE2-CG 3.91Å; Y104-K356 HydrophobicContact CG-CD 4.08Å; Y104-K356 HydrophobicContact CG-CG 3.98Å; Y104-K356 VanDerWaalsContact CZ-CE 3.48Å; M352-K356 VanDerWaalsContact O-CB 3.26Å; M352-K356 WeakPolarHBondContact O-CB 3.42Å; M352-K356 PolarHBondContact O-N 2.97Å; D353-K356 PolarHBondContact O-N 3.35Å; K356-T358 VanDerWaalsContact C-N 3.33Å |
| 357 | A | 96.1 | Very high | 95 | Very high | 13 Ų | 13 | 20.8 Ų | 20.8 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71 | -28.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D310 I314 D353 A354 L355 | D310-A357 WeakPolarHBondContact CB-O 3.37Å; D310-A357 VanDerWaalsContact CG-O 3.29Å; I314-A357 HydrophobicContact CD1-CB 4.04Å; I314-A357 HydrophobicContact CG2-CB 3.94Å; D353-A357 WeakPolarHBondContact O-CB 3.39Å; D353-A357 PolarHBondContact O-N 3.35Å; A354-A357 PolarHBondContact O-N 3.19Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.39Å |
| 358 | T | 96.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 18.4 Ų | 18.4 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -98.5 | -26.3 | -174.1 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | V258 D310 L311 A354 L355 K356 P360 K369 | V258-T358 HydrophobicContact CB-CG2 4.37Å; V258-T358 HydrophobicContact CG2-CG2 4.36Å; D310-T358 HydrophobicContact CB-CG2 4.19Å; L311-T358 HydrophobicContact CD2-CG2 3.97Å; A354-T358 WeakPolarHBondContact O-CG2 3.46Å; A354-T358 PolarHBondContact O-N 3.14Å; A354-T358 PolarHBondContact O-OG1 3.2Å; L355-T358 PolarHBondContact O-N 2.84Å; L355-T358 PolarHBondContact O-OG1 2.81Å; K356-T358 VanDerWaalsContact C-N 3.33Å; T358-P360 CarbonylContact O-C 3.48Å; T358-K369 PolarHBondContact O-NZ 3.47Å |
| 359 | L | 96.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 15.7 Ų | 15.7 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 130.9 | -178.6 | -175.7 | 74.3 | 0 | 0 | 0 | 112.8 | V96 V100 L257 L355 A390 | V96-L359 HydrophobicContact CG1-CD2 3.6Å; V100-L359 HydrophobicContact CB-CD2 4.21Å; V100-L359 HydrophobicContact CG1-CD2 4.35Å; L257-L359 HydrophobicContact CD2-CD1 4.14Å; L355-L359 WeakPolarHBondContact O-CB 3.49Å; L355-L359 PolarHBondContact O-N 3.43Å; L359-A390 HydrophobicContact CD1-CB 4.29Å |
| 360 | P | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | cis | -79.4 | 162.2 | -17.4 | 35.7 | -37.1 | 0 | 0 | 0 | 111.9 | Y98 T358 V364 K369 M373 | Y98-P360 HydrophobicContact CD2-CB 3.7Å; Y98-P360 HydrophobicContact CD2-CG 3.93Å; Y98-P360 HydrophobicContact CE2-CB 3.81Å; Y98-P360 HydrophobicContact CE2-CG 3.58Å; T358-P360 CarbonylContact O-C 3.48Å; P360-V364 HydrophobicContact CB-CG2 4.23Å; P360-K369 WeakPolarHBondContact O-CD 3.07Å; P360-K369 WeakPolarHBondContact O-CE 3.47Å; P360-K369 PolarHBondContact O-NZ 3.16Å; P360-M373 HydrophobicContact CG-CE 3.89Å; P360-M373 HydrophobicContact CG-CG 4.32Å; P360-M373 HydrophobicContact CG-SD 3.71Å |
| 361 | A | 93.4 | Very high | 94.8 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 10% | 0.099 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -61 | 152.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 T363 V364 S365 I404 | L257-A361 HydrophobicContact CD1-CB 3.73Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.12Å; A361-V364 HydrophobicContact CB-CG2 4.08Å; A361-V364 WeakPolarHBondContact O-CG2 3.1Å; A361-V364 PolarHBondContact O-N 3.31Å; A361-S365 PolarHBondContact O-N 3.06Å; A361-S365 PolarHBondContact O-OG 3.48Å; A361-I404 HydrophobicContact CB-CD1 3.4Å; A361-I404 VanDerWaalsContact CB-CD1 3.4Å; A361-I404 HydrophobicContact CB-CG1 3.98Å |
| 362 | G | 90.7 | Very high | 94.8 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -58.6 | -38.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | V364 S365 G366 | G362-V364 PolarHBondContact O-N 2.98Å; G362-V364 VanDerWaalsContact O-N 3.15Å; G362-S365 PolarHBondContact O-N 2.8Å; G362-G366 PolarHBondContact O-N 3.21Å |
| 363 | T | 89.2 | Confident | 94.8 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 20% | 0.196 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -64.4 | -16.3 | -178.7 | 46.4 | 0 | 0 | 0 | 0 | 113.8 | E255 L303 A361 | E255-T363 WeakPolarHBondContact OE1-CG2 3.37Å; E255-T363 PolarHBondContact OE1-OG1 3.4Å; E255-T363 PolarHBondContact OE2-OG1 3.34Å; L303-T363 HydrophobicContact CD1-CG2 3.5Å; L303-T363 VanDerWaalsContact CD1-CG2 3.5Å; L303-T363 HydrophobicContact CD2-CG2 3.84Å; L303-T363 HydrophobicContact CG-CG2 4.28Å; A361-T363 VanDerWaalsContact C-N 3.29Å; A361-T363 PolarHBondContact O-N 3.12Å |
| 364 | V | 94.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -121.5 | 5.4 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | P360 A361 G362 R384 A388 I404 I406 | P360-V364 HydrophobicContact CB-CG2 4.23Å; A361-V364 HydrophobicContact CB-CG2 4.08Å; A361-V364 WeakPolarHBondContact O-CG2 3.1Å; A361-V364 PolarHBondContact O-N 3.31Å; G362-V364 PolarHBondContact O-N 2.98Å; G362-V364 VanDerWaalsContact O-N 3.15Å; V364-R384 PolarHBondContact O-NH1 3.15Å; V364-A388 HydrophobicContact CB-CB 3.6Å; V364-A388 HydrophobicContact CG1-CB 4.28Å; V364-A388 HydrophobicContact CG2-CB 3.57Å; V364-I404 HydrophobicContact CG1-CG2 3.95Å; V364-I404 HydrophobicContact CG2-CG2 4.21Å; V364-I406 HydrophobicContact CG1-CG2 3.65Å |
| 365 | S | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -124.9 | -71.5 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 111 | V210 A361 G362 I376 | V210-S365 PolarHBondContact N-O 3.5Å; A361-S365 PolarHBondContact O-N 3.06Å; A361-S365 PolarHBondContact O-OG 3.48Å; G362-S365 PolarHBondContact O-N 2.8Å; S365-I376 WeakPolarHBondContact O-CD1 3.48Å |
| 366 | G | 92 | Very high | 94.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.5 | -167.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q208 G362 K369 | Q208-G366 CarbonylContact O-C 3.41Å; Q208-G366 VanDerWaalsContact O-CA 3.25Å; Q208-G366 WeakPolarHBondContact O-CA 3.29Å; G362-G366 PolarHBondContact O-N 3.21Å; G366-K369 WeakPolarHBondContact O-CA 3.36Å |
| 367 | A | 90.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 18.8 Ų | 18.8 | 7% | 0.066 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 131.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V206 F207 Q208 M302 | V206-A367 CarbonylContact C-O 3.58Å; F207-A367 HydrophobicContact CD2-CB 4.44Å; F207-A367 PolarHBondContact N-O 3.13Å; Q208-A367 PolarHBondContact N-O 3.49Å; Q208-A367 PolarHBondContact O-N 3.41Å; M302-A367 HydrophobicContact CE-CB 4.16Å; M302-A367 HydrophobicContact CG-CB 3.94Å; M302-A367 HydrophobicContact SD-CB 3.46Å; M302-A367 WeakPolarHBondContact SD-CB 3.27Å |
| 368 | P | 91.6 | Very high | 94.9 | Very high | 64 Ų | 64 | 23.4 Ų | 23.4 | 42% | 0.416 | 12% | 0.122 | S | C | . | . | S | Bend | cis | -63.4 | 137.1 | -10.6 | -19.5 | 33.5 | 0 | 0 | 0 | 112.2 | F207 I370 R371 A372 | F207-P368 HydrophobicContact CD2-CG 4.3Å; F207-P368 HydrophobicContact CE2-CG 4.14Å; P368-I370 PolarHBondContact O-N 2.97Å; P368-R371 PolarHBondContact O-N 3Å; P368-R371 VanDerWaalsContact O-N 3.14Å; P368-A372 PolarHBondContact O-N 3.3Å |
| 369 | K | 93.6 | Very high | 94.9 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 9% | 0.087 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -50.2 | -59.7 | -168.5 | -174.2 | -175.7 | -63.1 | -169.4 | 0 | 113.9 | L306 D310 T358 P360 G366 R371 A372 M373 | L306-K369 HydrophobicContact CD1-CB 4.18Å; D310-K369 VanDerWaalsContact CG-NZ 3.33Å; D310-K369 IonicContact OD1-NZ 3.08Å; D310-K369 PolarHBondContact OD1-NZ 3.11Å; D310-K369 WeakPolarHBondContact OD2-CE 3.32Å; D310-K369 IonicContact OD2-NZ 2.74Å; D310-K369 PolarHBondContact OD2-NZ 3.3Å; T358-K369 PolarHBondContact O-NZ 3.47Å; P360-K369 WeakPolarHBondContact O-CD 3.07Å; P360-K369 WeakPolarHBondContact O-CE 3.47Å; P360-K369 PolarHBondContact O-NZ 3.16Å; G366-K369 WeakPolarHBondContact O-CA 3.36Å; K369-R371 PolarHBondContact O-N 2.84Å; K369-A372 PolarHBondContact O-N 3.27Å; K369-M373 HydrophobicContact CD-SD 4.33Å; K369-M373 HydrophobicContact CG-CG 4.46Å; K369-M373 HydrophobicContact CG-SD 3.76Å; K369-M373 VanDerWaalsContact O-CG 3.23Å; K369-M373 WeakPolarHBondContact O-CG 3.38Å; K369-M373 PolarHBondContact O-N 2.85Å |
| 370 | I | 94.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 24.4 Ų | 24.4 | 36% | 0.364 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.3 | -40.4 | -177.1 | -62 | 166.3 | 0 | 0 | 0 | 111.2 | E105 P368 M373 T374 | E105-I370 HydrophobicContact CG-CD1 4.45Å; E105-I370 HydrophobicContact CG-CG1 4.33Å; E105-I370 VanDerWaalsContact OE2-CD1 3.28Å; E105-I370 WeakPolarHBondContact OE2-CD1 3.34Å; P368-I370 PolarHBondContact O-N 2.97Å; I370-M373 PolarHBondContact O-N 2.78Å; I370-T374 PolarHBondContact O-N 2.67Å; I370-T374 PolarHBondContact O-OG1 3.48Å |
| 371 | R | 96 | Very high | 94.7 | Very high | 82 Ų | 82 | 28.1 Ų | 28.1 | 31% | 0.309 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -70.8 | -42.9 | -178.5 | -172.1 | 49.7 | 173.1 | 170.3 | -8.4 | 111.9 | D205 V206 P368 K369 M373 T374 R375 | D205-R371 VanDerWaalsContact O-CG 3.23Å; D205-R371 WeakPolarHBondContact O-CG 3.15Å; D205-R371 IonicContact OD1-CZ 3.63Å; D205-R371 IonicContact OD1-NE 3.9Å; D205-R371 PolarHBondContact OD1-NE 2.89Å; D205-R371 IonicContact OD1-NH2 2.69Å; D205-R371 PolarHBondContact OD1-NH2 3.08Å; D205-R371 IonicContact OD2-CZ 2.64Å; D205-R371 IonicContact OD2-NE 3.6Å; D205-R371 PolarHBondContact OD2-NE 3.26Å; D205-R371 IonicContact OD2-NH2 3.47Å; D205-R371 PolarHBondContact OD2-NH2 3.45Å; V206-R371 HydrophobicContact CG1-CB 4.12Å; V206-R371 HydrophobicContact CG1-CG 3.73Å; P368-R371 PolarHBondContact O-N 3Å; P368-R371 VanDerWaalsContact O-N 3.14Å; K369-R371 PolarHBondContact O-N 2.84Å; R371-M373 VanDerWaalsContact C-N 3.34Å; R371-M373 PolarHBondContact O-N 2.95Å; R371-T374 WeakPolarHBondContact O-CB 3.27Å; R371-T374 PolarHBondContact O-N 2.81Å; R371-R375 VanDerWaalsContact NH2-CZ 3.28Å; R371-R375 PolarHBondContact O-N 3.29Å; R371-R375 VanDerWaalsContact O-N 3.13Å |
| 372 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V206 V209 P368 K369 T374 R375 I376 | V206-A372 HydrophobicContact CG1-CB 4.27Å; V209-A372 HydrophobicContact CB-CB 4.27Å; V209-A372 HydrophobicContact CG2-CB 4.14Å; P368-A372 PolarHBondContact O-N 3.3Å; K369-A372 PolarHBondContact O-N 3.27Å; A372-T374 VanDerWaalsContact C-N 3.34Å; A372-T374 PolarHBondContact O-N 2.71Å; A372-R375 PolarHBondContact O-N 2.98Å; A372-R375 VanDerWaalsContact O-N 3.15Å; A372-I376 WeakPolarHBondContact O-CG1 3.43Å; A372-I376 PolarHBondContact O-N 3.01Å |
| 373 | M | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.8 | -62.6 | 169.3 | 60.9 | 0 | 0 | 112.5 | Y98 A101 I107 P360 K369 I370 R371 R375 I376 Y377 | Y98-M373 HydrophobicContact CE1-CE 4.47Å; Y98-M373 WeakPolarHBondContact OH-CG 3.27Å; A101-M373 HydrophobicContact CB-CE 3.61Å; I107-M373 HydrophobicContact CD1-CE 3.2Å; I107-M373 HydrophobicContact CD1-SD 4.47Å; I107-M373 HydrophobicContact CG1-CB 4.34Å; I107-M373 HydrophobicContact CG1-CE 3.82Å; I107-M373 HydrophobicContact CG2-CB 3.63Å; I107-M373 HydrophobicContact CG2-CE 4.38Å; P360-M373 HydrophobicContact CG-CE 3.89Å; P360-M373 HydrophobicContact CG-CG 4.32Å; P360-M373 HydrophobicContact CG-SD 3.71Å; K369-M373 HydrophobicContact CD-SD 4.33Å; K369-M373 HydrophobicContact CG-CG 4.46Å; K369-M373 HydrophobicContact CG-SD 3.76Å; K369-M373 VanDerWaalsContact O-CG 3.23Å; K369-M373 WeakPolarHBondContact O-CG 3.38Å; K369-M373 PolarHBondContact O-N 2.85Å; I370-M373 PolarHBondContact O-N 2.78Å; R371-M373 VanDerWaalsContact C-N 3.34Å; R371-M373 PolarHBondContact O-N 2.95Å; M373-R375 PolarHBondContact O-N 3.09Å; M373-I376 WeakPolarHBondContact O-CB 3.21Å; M373-I376 PolarHBondContact O-N 2.89Å; M373-I376 VanDerWaalsContact O-N 3.17Å; M373-Y377 PolarHBondContact O-N 3.12Å |
| 374 | T | 97.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 13% | 0.129 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -39.6 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.2 | I107 I370 R371 A372 Q378 | I107-T374 WeakPolarHBondContact O-CA 3.47Å; I370-T374 PolarHBondContact O-N 2.67Å; I370-T374 PolarHBondContact O-OG1 3.48Å; R371-T374 WeakPolarHBondContact O-CB 3.27Å; R371-T374 PolarHBondContact O-N 2.81Å; A372-T374 VanDerWaalsContact C-N 3.34Å; A372-T374 PolarHBondContact O-N 2.71Å; T374-Q378 VanDerWaalsContact O-CG 3.29Å; T374-Q378 WeakPolarHBondContact O-CG 3.39Å; T374-Q378 PolarHBondContact O-N 3.05Å |
| 375 | R | 97.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 176.5 | -64.2 | -49 | -169.7 | 171.2 | 10.6 | 112.7 | D205 R371 A372 M373 Y377 Q378 W379 | D205-R375 IonicContact OD1-NH2 2.96Å; D205-R375 IonicContact OD2-CZ 2.63Å; D205-R375 IonicContact OD2-NE 3.05Å; D205-R375 PolarHBondContact OD2-NE 3Å; D205-R375 IonicContact OD2-NH2 3.54Å; D205-R375 PolarHBondContact OD2-NH2 3Å; R371-R375 VanDerWaalsContact NH2-CZ 3.28Å; R371-R375 PolarHBondContact O-N 3.29Å; R371-R375 VanDerWaalsContact O-N 3.13Å; A372-R375 PolarHBondContact O-N 2.98Å; A372-R375 VanDerWaalsContact O-N 3.15Å; M373-R375 PolarHBondContact O-N 3.09Å; R375-Y377 VanDerWaalsContact C-N 3.35Å; R375-Y377 PolarHBondContact O-N 3.38Å; R375-Q378 WeakPolarHBondContact O-CB 3.26Å; R375-Q378 PolarHBondContact O-N 3.14Å; R375-W379 HydrophobicContact CB-CD2 4.19Å; R375-W379 HydrophobicContact CB-CE3 3.87Å; R375-W379 HydrophobicContact CB-CH2 3.52Å; R375-W379 HydrophobicContact CB-CZ2 3.88Å; R375-W379 HydrophobicContact CB-CZ3 3.53Å; R375-W379 HydrophobicContact CG-CH2 3.88Å; R375-W379 HydrophobicContact CG-CZ2 4.11Å; R375-W379 HydrophobicContact CG-CZ3 4.38Å; R375-W379 VanDerWaalsContact O-CD2 3.27Å; R375-W379 VanDerWaalsContact O-CG 3.3Å; R375-W379 PolarHBondContact O-N 3.35Å |
| 376 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.4 | -48.5 | 173.3 | -73.5 | 163.9 | 0 | 0 | 0 | 110.6 | V209 S365 A372 M373 Q378 W379 E380 | V209-I376 HydrophobicContact CG2-CD1 4.18Å; V209-I376 HydrophobicContact CG2-CG1 3.83Å; S365-I376 WeakPolarHBondContact O-CD1 3.48Å; A372-I376 WeakPolarHBondContact O-CG1 3.43Å; A372-I376 PolarHBondContact O-N 3.01Å; M373-I376 WeakPolarHBondContact O-CB 3.21Å; M373-I376 PolarHBondContact O-N 2.89Å; M373-I376 VanDerWaalsContact O-N 3.17Å; I376-Q378 PolarHBondContact O-N 3.25Å; I376-W379 PolarHBondContact O-N 3.37Å; I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 WeakPolarHBondContact O-CB 3.5Å; I376-E380 PolarHBondContact O-N 2.65Å |
| 377 | Y | 97.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.9 | -27.3 | 175.6 | -84.6 | 10.3 | 0 | 0 | 0 | 113.9 | Y98 D99 I107 E109 I110 P111 M373 R375 | Y98-Y377 HydrophobicContact CD1-CE1 4.28Å; Y98-Y377 HydrophobicContact CE1-CD1 4.44Å; Y98-Y377 AromaticContact CE1-CE1 3.75Å; Y98-Y377 HydrophobicContact CE1-CE1 3.75Å; D99-Y377 WeakPolarHBondContact OD1-CE1 3.39Å; D99-Y377 PolarHBondContact OD1-OH 3.06Å; I107-Y377 HydrophobicContact CB-CD2 4.28Å; I107-Y377 HydrophobicContact CB-CE2 4.17Å; I107-Y377 HydrophobicContact CG2-CD2 3.64Å; I107-Y377 HydrophobicContact CG2-CE2 3.79Å; I107-Y377 HydrophobicContact CG2-CG 4.02Å; E109-Y377 WeakPolarHBondContact O-CD2 2.94Å; I110-Y377 HydrophobicContact CB-CE2 4.41Å; I110-Y377 HydrophobicContact CG1-CE2 3.87Å; P111-Y377 HydrophobicContact CG-CD1 4.02Å; P111-Y377 HydrophobicContact CG-CG 4.26Å; M373-Y377 PolarHBondContact O-N 3.12Å; R375-Y377 VanDerWaalsContact C-N 3.35Å; R375-Y377 PolarHBondContact O-N 3.38Å |
| 378 | Q | 96.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 26.4 Ų | 26.4 | 51% | 0.509 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -80.7 | -25.8 | 177.8 | -71.1 | 170.4 | -4.7 | 0 | 0 | 113.4 | T374 R375 I376 | T374-Q378 VanDerWaalsContact O-CG 3.29Å; T374-Q378 WeakPolarHBondContact O-CG 3.39Å; T374-Q378 PolarHBondContact O-N 3.05Å; R375-Q378 WeakPolarHBondContact O-CB 3.26Å; R375-Q378 PolarHBondContact O-N 3.14Å; I376-Q378 PolarHBondContact O-N 3.25Å |
| 379 | W | 96.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -106.1 | -34.2 | -172.5 | -61.5 | -32.3 | 0 | 0 | 0 | 113.8 | I193 Q196 A197 R200 V209 R375 I376 | I193-W379 HydrophobicContact CD1-CB 4.47Å; I193-W379 HydrophobicContact CG1-CB 4.28Å; I193-W379 HydrophobicContact CG2-CB 3.93Å; I193-W379 HydrophobicContact CG2-CD2 4.35Å; I193-W379 HydrophobicContact CG2-CE3 4.15Å; I193-W379 HydrophobicContact CG2-CG 4.29Å; Q196-W379 HydrophobicContact CB-CZ2 4.29Å; Q196-W379 VanDerWaalsContact OE1-NE1 3.16Å; A197-W379 VanDerWaalsContact CA-CH2 3.49Å; A197-W379 HydrophobicContact CB-CH2 3.85Å; A197-W379 HydrophobicContact CB-CZ3 3.74Å; R200-W379 HydrophobicContact CB-CH2 4.41Å; R200-W379 HydrophobicContact CG-CH2 4.05Å; R200-W379 HydrophobicContact CG-CZ2 3.75Å; V209-W379 HydrophobicContact CB-CZ3 4.33Å; V209-W379 HydrophobicContact CG1-CH2 4.25Å; V209-W379 HydrophobicContact CG1-CZ3 3.72Å; V209-W379 HydrophobicContact CG2-CE3 4.48Å; V209-W379 HydrophobicContact CG2-CZ3 3.8Å; R375-W379 HydrophobicContact CB-CD2 4.19Å; R375-W379 HydrophobicContact CB-CE3 3.87Å; R375-W379 HydrophobicContact CB-CH2 3.52Å; R375-W379 HydrophobicContact CB-CZ2 3.88Å; R375-W379 HydrophobicContact CB-CZ3 3.53Å; R375-W379 HydrophobicContact CG-CH2 3.88Å; R375-W379 HydrophobicContact CG-CZ2 4.11Å; R375-W379 HydrophobicContact CG-CZ3 4.38Å; R375-W379 VanDerWaalsContact O-CD2 3.27Å; R375-W379 VanDerWaalsContact O-CG 3.3Å; R375-W379 PolarHBondContact O-N 3.35Å; I376-W379 PolarHBondContact O-N 3.37Å |
| 380 | E | 96.7 | Very high | 97 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | trans | -78.3 | 129.8 | 177.6 | -67 | -173.3 | 178.6 | 0 | 0 | 110.4 | S212 I376 V382 R384 | S212-E380 WeakPolarHBondContact CB-OE1 3.15Å; S212-E380 PolarHBondContact N-OE1 3.45Å; S212-E380 VanDerWaalsContact OG-CD 3.3Å; S212-E380 PolarHBondContact OG-OE1 3.37Å; S212-E380 PolarHBondContact OG-OE2 3.19Å; I376-E380 HydrophobicContact CG2-CG 4.15Å; I376-E380 WeakPolarHBondContact O-CB 3.5Å; I376-E380 PolarHBondContact O-N 2.65Å; E380-V382 VanDerWaalsContact C-N 3.25Å; E380-V382 PolarHBondContact O-N 3.22Å; E380-R384 IonicContact OE1-CZ 3.48Å; E380-R384 IonicContact OE1-NE 2.7Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 2.74Å; E380-R384 PolarHBondContact OE1-NH2 2.88Å; E380-R384 VanDerWaalsContact OE2-CG 3.26Å; E380-R384 WeakPolarHBondContact OE2-CG 3.43Å; E380-R384 IonicContact OE2-CZ 3.53Å; E380-R384 IonicContact OE2-NE 3.72Å; E380-R384 PolarHBondContact OE2-NE 2.95Å; E380-R384 IonicContact OE2-NH2 3Å | ||
| 381 | T | 92.8 | Very high | 97.2 | Very high | 78 Ų | 78 | 19.1 Ų | 19.1 | 48% | 0.479 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -78.2 | -10.1 | -175.9 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | L185 | L185-T381 HydrophobicContact CD2-CG2 4.36Š|
| 382 | V | 96.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.018 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -139.9 | 147 | -174 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | K112 Q114 E380 | K112-V382 WeakPolarHBondContact O-CA 3.32Å; Q114-V382 HydrophobicContact CG-CG1 3.83Å; E380-V382 VanDerWaalsContact C-N 3.25Å; E380-V382 PolarHBondContact O-N 3.22Å |
| 383 | K | 96.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 15.7 Ų | 15.7 | 2% | 0.022 | 8% | 0.078 | C | C | . | . | trans | -59.9 | 139.5 | 175.5 | -177.1 | -177.2 | 175.5 | -175.7 | 0 | 110.4 | D99 I110 K112 D113 D119 R214 | D99-K383 HydrophobicContact CB-CG 4.46Å; D99-K383 VanDerWaalsContact CG-CG 3.42Å; D99-K383 VanDerWaalsContact OD2-CE 3.27Å; D99-K383 WeakPolarHBondContact OD2-CE 3.35Å; D99-K383 WeakPolarHBondContact OD2-CG 3.41Å; I110-K383 HydrophobicContact CG2-CB 4.26Å; I110-K383 HydrophobicContact CG2-CD 3.88Å; I110-K383 HydrophobicContact CG2-CG 3.83Å; K112-K383 PolarHBondContact O-N 3.22Å; D113-K383 HydrophobicContact CB-CB 4.29Å; D113-K383 HydrophobicContact CB-CD 3.78Å; D113-K383 VanDerWaalsContact CG-CD 3.48Å; D113-K383 WeakPolarHBondContact OD2-CD 3.28Å; D113-K383 IonicContact OD2-NZ 3.69Å; D113-K383 PolarHBondContact OD2-NZ 3.39Å; D119-K383 WeakPolarHBondContact OD1-CE 3.28Å; D119-K383 IonicContact OD1-NZ 3.15Å; D119-K383 PolarHBondContact OD1-NZ 3.43Å; D119-K383 IonicContact OD2-NZ 3.29Å; R214-K383 PolarHBondContact NH2-O 3.24Å | ||
| 384 | R | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | trans | -70.8 | -34.3 | 179.8 | -75.3 | -172.2 | 168.7 | -167.7 | -3.5 | 113.2 | Y98 V210 R214 V364 E380 I386 Y387 | Y98-R384 HydrophobicContact CD1-CB 3.99Å; Y98-R384 HydrophobicContact CD1-CG 4.29Å; Y98-R384 VanDerWaalsContact CE2-NH1 3.29Å; Y98-R384 HydrophobicContact CG-CB 4.03Å; Y98-R384 HydrophobicContact CG-CG 4.47Å; V210-R384 PolarHBondContact O-NH2 3.17Å; R214-R384 PolarHBondContact NH2-O 3.04Å; V364-R384 PolarHBondContact O-NH1 3.15Å; E380-R384 IonicContact OE1-CZ 3.48Å; E380-R384 IonicContact OE1-NE 2.7Å; E380-R384 PolarHBondContact OE1-NE 3.25Å; E380-R384 IonicContact OE1-NH2 2.74Å; E380-R384 PolarHBondContact OE1-NH2 2.88Å; E380-R384 VanDerWaalsContact OE2-CG 3.26Å; E380-R384 WeakPolarHBondContact OE2-CG 3.43Å; E380-R384 IonicContact OE2-CZ 3.53Å; E380-R384 IonicContact OE2-NE 3.72Å; E380-R384 PolarHBondContact OE2-NE 2.95Å; E380-R384 IonicContact OE2-NH2 3Å; R384-I386 PolarHBondContact O-N 3.48Å; R384-Y387 HydrophobicContact CB-CD1 4.39Å; R384-Y387 HydrophobicContact CG-CD1 4.11Å; R384-Y387 PolarHBondContact O-N 2.81Å | ||
| 385 | S | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -116.2 | -178.5 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | G97 Y98 D99 | G97-S385 CarbonylContact C-O 3.6Å; G97-S385 WeakPolarHBondContact CA-O 3.47Å; Y98-S385 PolarHBondContact N-O 3.42Å; D99-S385 VanDerWaalsContact OD2-CA 3.31Å; D99-S385 WeakPolarHBondContact OD2-CA 3.25Å; D99-S385 PolarHBondContact OD2-N 3.48Å |
| 386 | I | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -35.3 | -177.8 | -62 | 165.1 | 0 | 0 | 0 | 111.7 | Y95 V117 V247 V249 R384 A388 G389 A405 V410 | Y95-I386 HydrophobicContact CD1-CD1 4.38Å; Y95-I386 HydrophobicContact CD2-CD1 4.39Å; Y95-I386 HydrophobicContact CD2-CG1 3.73Å; Y95-I386 HydrophobicContact CE1-CD1 4.05Å; Y95-I386 HydrophobicContact CE1-CG1 4.41Å; Y95-I386 HydrophobicContact CE2-CD1 4.07Å; Y95-I386 HydrophobicContact CE2-CG1 3.57Å; Y95-I386 HydrophobicContact CG-CG1 4.25Å; V117-I386 HydrophobicContact CG2-CD1 4.42Å; V117-I386 HydrophobicContact CG2-CG1 4.43Å; V247-I386 HydrophobicContact CG2-CD1 4.48Å; V249-I386 HydrophobicContact CG1-CG2 4.18Å; V249-I386 HydrophobicContact CG2-CD1 3.7Å; R384-I386 PolarHBondContact O-N 3.48Å; I386-A388 PolarHBondContact O-N 3.5Å; I386-G389 PolarHBondContact O-N 3.1Å; I386-A405 HydrophobicContact CG2-CB 4.15Å; I386-A405 WeakPolarHBondContact O-CB 3.11Å; I386-V410 HydrophobicContact CB-CG2 4.11Å; I386-V410 HydrophobicContact CD1-CG1 4.03Å; I386-V410 HydrophobicContact CD1-CG2 3.75Å; I386-V410 HydrophobicContact CG1-CG2 4.49Å; I386-V410 HydrophobicContact CG2-CG2 4.39Å |
| 387 | Y | 98.2 | Very high | 97 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 8% | 0.082 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.5 | -177.3 | 170.8 | -103.8 | 0 | 0 | 0 | 111.2 | Y98 S212 R384 G389 I406 Q419 G421 | Y98-Y387 VanDerWaalsContact CB-O 3.3Å; Y98-Y387 WeakPolarHBondContact CB-O 3.4Å; S212-Y387 VanDerWaalsContact CB-CE1 3.49Å; S212-Y387 WeakPolarHBondContact OG-CE1 3.23Å; R384-Y387 HydrophobicContact CB-CD1 4.39Å; R384-Y387 HydrophobicContact CG-CD1 4.11Å; R384-Y387 PolarHBondContact O-N 2.81Å; Y387-G389 PolarHBondContact O-N 2.86Å; Y387-I406 HydrophobicContact CE2-CG2 4.12Å; Y387-Q419 HydrophobicContact CD1-CB 4.2Å; Y387-Q419 HydrophobicContact CD1-CG 3.51Å; Y387-Q419 HydrophobicContact CD2-CB 3.66Å; Y387-Q419 HydrophobicContact CD2-CG 3.84Å; Y387-Q419 WeakPolarHBondContact CD2-O 3.39Å; Y387-Q419 HydrophobicContact CE1-CG 3.85Å; Y387-Q419 HydrophobicContact CE2-CB 4.24Å; Y387-Q419 HydrophobicContact CE2-CG 4.16Å; Y387-Q419 WeakPolarHBondContact CE2-O 3.25Å; Y387-Q419 HydrophobicContact CG-CB 3.63Å; Y387-Q419 HydrophobicContact CG-CG 3.5Å; Y387-Q419 VanDerWaalsContact CG-CG 3.5Å; Y387-G421 PolarHBondContact OH-N 3.25Å; Y387-G421 VanDerWaalsContact OH-N 3.11Å |
| 388 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 8.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y98 V364 I386 A405 | Y98-A388 HydrophobicContact CD2-CB 3.67Å; Y98-A388 HydrophobicContact CE2-CB 4.3Å; Y98-A388 HydrophobicContact CG-CB 4.49Å; V364-A388 HydrophobicContact CB-CB 3.6Å; V364-A388 HydrophobicContact CG1-CB 4.28Å; V364-A388 HydrophobicContact CG2-CB 3.57Å; I386-A388 PolarHBondContact O-N 3.5Å; A388-A405 PolarHBondContact N-O 2.52Å |
| 389 | G | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -81.9 | -147.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V96 I386 Y387 A405 | V96-G389 CarbonylContact O-C 3.56Å; V96-G389 VanDerWaalsContact O-CA 3.25Å; V96-G389 WeakPolarHBondContact O-CA 3.4Å; I386-G389 PolarHBondContact O-N 3.1Å; Y387-G389 PolarHBondContact O-N 2.86Å; G389-A405 PolarHBondContact O-N 3.23Å |
| 390 | A | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.008 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 137.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y95 V96 L257 L355 L359 F402 A403 | Y95-A390 CarbonylContact C-O 3.55Å; Y95-A390 WeakPolarHBondContact CA-O 3.41Å; Y95-A390 WeakPolarHBondContact CB-O 3.35Å; V96-A390 HydrophobicContact CB-CB 4.32Å; V96-A390 PolarHBondContact N-O 3.24Å; V96-A390 PolarHBondContact O-N 3.35Å; L257-A390 HydrophobicContact CD2-CB 3.57Å; L355-A390 HydrophobicContact CD1-CB 3.86Å; L359-A390 HydrophobicContact CD1-CB 4.29Å; A390-F402 HydrophobicContact CB-CB 4.17Å; A390-F402 HydrophobicContact CB-CD1 3.98Å; A390-F402 HydrophobicContact CB-CG 4.3Å; A390-A403 CarbonylContact C-O 3.48Å; A390-A403 VanDerWaalsContact CA-O 3.31Å; A390-A403 WeakPolarHBondContact CA-O 3.2Å |
| 391 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.7 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | Y240 L242 V249 A403 A405 | Y240-V391 HydrophobicContact CD1-CB 4.29Å; Y240-V391 HydrophobicContact CD1-CG1 3.85Å; Y240-V391 HydrophobicContact CD2-CB 4.36Å; Y240-V391 HydrophobicContact CD2-CG1 3.63Å; Y240-V391 HydrophobicContact CE1-CB 4.1Å; Y240-V391 HydrophobicContact CE1-CG1 4.14Å; Y240-V391 HydrophobicContact CE2-CB 4.14Å; Y240-V391 HydrophobicContact CE2-CG1 3.91Å; Y240-V391 HydrophobicContact CE2-CG2 4Å; Y240-V391 HydrophobicContact CG-CB 4.42Å; Y240-V391 HydrophobicContact CG-CG1 3.58Å; L242-V391 HydrophobicContact CD1-CG1 3.86Å; V249-V391 HydrophobicContact CG1-CG2 4.47Å; V391-A403 PolarHBondContact N-O 2.8Å; V391-A403 PolarHBondContact O-N 3.44Å; V391-A405 HydrophobicContact CG2-CB 3.99Å |
| 392 | G | 98 | Very high | 97.1 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.1 | -152.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | G94 D401 | G94-G392 PolarHBondContact N-O 3.42Å; G94-G392 PolarHBondContact O-N 3.32Å; G392-D401 VanDerWaalsContact CA-O 3.23Å; G392-D401 WeakPolarHBondContact CA-O 3.37Å |
| 393 | F | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 7.7 Ų | 7.7 | 4% | 0.035 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156 | -179.6 | 67.3 | -95.2 | 0 | 0 | 0 | 113.6 | F29 I40 F88 A92 L93 A400 D401 F402 | F29-F393 HydrophobicContact CD1-CD1 4.2Å; F29-F393 HydrophobicContact CD1-CE1 4.27Å; F29-F393 HydrophobicContact CE1-CD1 4.05Å; F29-F393 AromaticContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CE1-CE1 3.86Å; F29-F393 HydrophobicContact CZ-CD1 4.42Å; F29-F393 HydrophobicContact CZ-CE1 4.43Å; I40-F393 HydrophobicContact CD1-CD1 4.08Å; I40-F393 HydrophobicContact CD1-CE1 3.85Å; I40-F393 HydrophobicContact CD1-CZ 4.45Å; F88-F393 AromaticContact CD2-CD2 3.69Å; F88-F393 HydrophobicContact CD2-CD2 3.69Å; F88-F393 AromaticContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CE2 3.99Å; F88-F393 HydrophobicContact CD2-CG 4.13Å; F88-F393 HydrophobicContact CE2-CB 4.15Å; F88-F393 AromaticContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CD2 3.87Å; F88-F393 HydrophobicContact CE2-CG 4.15Å; A92-F393 CarbonylContact O-C 3.52Å; A92-F393 WeakPolarHBondContact O-CA 3.44Å; A92-F393 VanDerWaalsContact O-CB 3.29Å; A92-F393 WeakPolarHBondContact O-CB 3.46Å; L93-F393 HydrophobicContact CB-CB 4.14Å; L93-F393 HydrophobicContact CD1-CB 3.91Å; L93-F393 HydrophobicContact CD1-CD1 4.47Å; L93-F393 HydrophobicContact CG-CB 4.28Å; F393-A400 VanDerWaalsContact O-CA 3.26Å; F393-A400 WeakPolarHBondContact O-CA 3.16Å; F393-A400 WeakPolarHBondContact O-CB 3.19Å; F393-D401 HydrophobicContact CE1-CB 3.84Å; F393-D401 HydrophobicContact CZ-CB 3.94Å; F393-D401 PolarHBondContact N-O 3.05Å; F393-D401 PolarHBondContact O-N 2.9Å; F393-F402 WeakPolarHBondContact O-CE2 3.18Å; F393-F402 WeakPolarHBondContact O-CZ 3.37Å |
| 394 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.2 | 160.6 | 174.9 | 62.1 | 0 | 0 | 0 | 107.8 | V76 L77 G91 A92 A351 M352 A400 | V76-L394 HydrophobicContact CB-CD2 3.92Å; V76-L394 HydrophobicContact CB-CG 4.37Å; V76-L394 HydrophobicContact CG1-CB 4.28Å; V76-L394 HydrophobicContact CG1-CD2 3.85Å; V76-L394 HydrophobicContact CG1-CG 3.73Å; V76-L394 WeakPolarHBondContact CG1-O 2.97Å; V76-L394 HydrophobicContact CG2-CD2 4.26Å; L77-L394 HydrophobicContact CD2-CD1 4.42Å; G91-L394 CarbonylContact C-O 3.5Å; G91-L394 WeakPolarHBondContact CA-O 3.41Å; A92-L394 PolarHBondContact N-O 3.16Å; A92-L394 PolarHBondContact O-N 2.95Å; A351-L394 HydrophobicContact CB-CD1 3.81Å; M352-L394 HydrophobicContact CE-CB 4.11Å; M352-L394 HydrophobicContact CE-CD1 4.04Å; M352-L394 HydrophobicContact CE-CD2 4.03Å; M352-L394 HydrophobicContact CE-CG 4.28Å; M352-L394 HydrophobicContact CG-CD2 3.81Å; M352-L394 HydrophobicContact SD-CD2 4.07Å; L394-A400 HydrophobicContact CD1-CB 4.34Å |
| 395 | G | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 153.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G90 N397 D398 Q399 | G90-G395 CarbonylContact O-C 3.53Å; G90-G395 WeakPolarHBondContact O-CA 3.45Å; G395-N397 PolarHBondContact O-N 3.27Å; G395-N397 VanDerWaalsContact O-N 3.09Å; G395-D398 PolarHBondContact O-N 3.3Å; G395-Q399 PolarHBondContact N-O 2.86Å |
| 396 | Q | 95.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 8.8 Ų | 8.8 | 3% | 0.028 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.5 | 176.6 | 66.4 | 178.2 | 32.1 | 0 | 0 | 113.9 | V76 V78 Q89 G90 Y146 | V76-Q396 WeakPolarHBondContact O-CA 3.41Å; V76-Q396 WeakPolarHBondContact O-CB 3.49Å; V78-Q396 HydrophobicContact CB-CB 4.43Å; V78-Q396 HydrophobicContact CG2-CB 4.43Å; V78-Q396 PolarHBondContact N-O 2.94Å; Q89-Q396 HydrophobicContact CB-CG 3.8Å; Q89-Q396 PolarHBondContact O-NE2 3.37Å; Q89-Q396 PolarHBondContact O-OE1 3Å; G90-Q396 PolarHBondContact O-N 3.14Å; Y146-Q396 WeakPolarHBondContact OH-CB 3.21Å |
| 397 | N | 94 | Very high | 96.9 | Very high | 30 Ų | 30 | 13.4 Ų | 13.4 | 16% | 0.16 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 18.8 | 175.6 | 65.9 | -25.7 | 0 | 0 | 0 | 113.3 | E82 Q89 G395 Q399 | E82-N397 HydrophobicContact CG-CB 4.01Å; E82-N397 PolarHBondContact OE2-ND2 3.44Å; Q89-N397 HydrophobicContact CG-CB 4.42Å; G395-N397 PolarHBondContact O-N 3.27Å; G395-N397 VanDerWaalsContact O-N 3.09Å; N397-Q399 PolarHBondContact ND2-NE2 2.89Å; N397-Q399 PolarHBondContact ND2-OE1 2.93Å; N397-Q399 PolarHBondContact O-N 2.56Å |
| 398 | D | 95.4 | Very high | 96.8 | Very high | 34 Ų | 34 | 12.9 Ų | 12.9 | 18% | 0.182 | 6% | 0.061 | C | C | . | . | S | Bend | trans | 62.2 | 21.7 | 179.9 | -160 | 34 | 0 | 0 | 0 | 114.8 | L77 T350 A351 G395 | L77-D398 HydrophobicContact CD1-CB 4.21Å; L77-D398 HydrophobicContact CD2-CB 3.73Å; T350-D398 WeakPolarHBondContact CA-OD2 3.42Å; T350-D398 WeakPolarHBondContact CB-OD1 3.45Å; T350-D398 VanDerWaalsContact CB-OD2 3.28Å; T350-D398 WeakPolarHBondContact CB-OD2 3.32Å; A351-D398 WeakPolarHBondContact CB-O 3.08Å; A351-D398 WeakPolarHBondContact CB-OD1 3.27Å; A351-D398 PolarHBondContact N-OD1 2.75Å; A351-D398 PolarHBondContact N-OD2 3.02Å; G395-D398 PolarHBondContact O-N 3.3Å |
| 399 | Q | 95.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 12.9 Ų | 12.9 | 20% | 0.201 | 6% | 0.061 | C | C | . | . | trans | -86.9 | 144.8 | 166.6 | -67.1 | -177.2 | -0.9 | 0 | 0 | 110.3 | V260 G395 N397 | V260-Q399 VanDerWaalsContact O-CA 3.31Å; V260-Q399 WeakPolarHBondContact O-CA 3.43Å; G395-Q399 PolarHBondContact N-O 2.86Å; N397-Q399 PolarHBondContact ND2-NE2 2.89Å; N397-Q399 PolarHBondContact ND2-OE1 2.93Å; N397-Q399 PolarHBondContact O-N 2.56Å | ||
| 400 | A | 97.2 | Very high | 96.7 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 3% | 0.025 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 148.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T259 V260 A351 F393 L394 F402 | T259-A400 CarbonylContact C-O 3.59Å; T259-A400 VanDerWaalsContact CA-O 3.31Å; T259-A400 WeakPolarHBondContact CA-O 3.39Å; T259-A400 WeakPolarHBondContact CG2-O 3.47Å; V260-A400 HydrophobicContact CB-CB 4.45Å; V260-A400 PolarHBondContact N-O 3.31Å; V260-A400 PolarHBondContact O-N 3.35Å; A351-A400 HydrophobicContact CB-CB 3.65Å; F393-A400 VanDerWaalsContact O-CA 3.26Å; F393-A400 WeakPolarHBondContact O-CA 3.16Å; F393-A400 WeakPolarHBondContact O-CB 3.19Å; L394-A400 HydrophobicContact CD1-CB 4.34Å; A400-F402 HydrophobicContact CB-CD2 4.04Å; A400-F402 HydrophobicContact CB-CE2 3.77Å |
| 401 | D | 97 | Very high | 96.5 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 3% | 0.032 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 114.7 | 170.1 | -167.4 | 12.1 | 0 | 0 | 0 | 108.8 | R31 Y238 T259 G392 F393 | R31-D401 WeakPolarHBondContact CD-OD2 3.41Å; R31-D401 IonicContact NE-OD2 2.69Å; R31-D401 PolarHBondContact NE-OD2 3.35Å; Y238-D401 WeakPolarHBondContact CE1-OD1 3.32Å; Y238-D401 WeakPolarHBondContact CE1-OD2 3.39Å; Y238-D401 PolarHBondContact OH-OD1 3.46Å; T259-D401 HydrophobicContact CG2-CB 4.18Å; T259-D401 PolarHBondContact OG1-OD1 3.23Å; G392-D401 VanDerWaalsContact CA-O 3.23Å; G392-D401 WeakPolarHBondContact CA-O 3.37Å; F393-D401 HydrophobicContact CE1-CB 3.84Å; F393-D401 HydrophobicContact CZ-CB 3.94Å; F393-D401 PolarHBondContact N-O 3.05Å; F393-D401 PolarHBondContact O-N 2.9Å |
| 402 | F | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.2 | -177.2 | -75.2 | -75.8 | 0 | 0 | 0 | 110.8 | F122 L257 V258 M352 L355 A390 F393 A400 | F122-F402 AromaticContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CE1 3.94Å; F122-F402 HydrophobicContact CE1-CZ 4.07Å; F122-F402 AromaticContact CZ-CE1 3.67Å; F122-F402 HydrophobicContact CZ-CE1 3.67Å; F122-F402 AromaticContact CZ-CZ 3.9Å; F122-F402 HydrophobicContact CZ-CZ 3.9Å; L257-F402 HydrophobicContact CB-CB 4.49Å; L257-F402 WeakPolarHBondContact CB-O 3.33Å; L257-F402 PolarHBondContact N-O 3.14Å; V258-F402 HydrophobicContact CG1-CB 4.35Å; V258-F402 HydrophobicContact CG1-CD2 4.45Å; V258-F402 PolarHBondContact N-O 2.84Å; V258-F402 PolarHBondContact O-N 3.16Å; M352-F402 HydrophobicContact CE-CE2 3.68Å; M352-F402 HydrophobicContact CE-CZ 4.11Å; L355-F402 HydrophobicContact CD1-CB 4.38Å; L355-F402 HydrophobicContact CD1-CD2 4.19Å; L355-F402 HydrophobicContact CD1-CG 4.2Å; L355-F402 HydrophobicContact CD2-CD2 4.02Å; L355-F402 HydrophobicContact CD2-CE1 4.35Å; L355-F402 HydrophobicContact CD2-CE2 3.8Å; L355-F402 HydrophobicContact CD2-CG 4.37Å; L355-F402 HydrophobicContact CD2-CZ 3.98Å; A390-F402 HydrophobicContact CB-CB 4.17Å; A390-F402 HydrophobicContact CB-CD1 3.98Å; A390-F402 HydrophobicContact CB-CG 4.3Å; F393-F402 WeakPolarHBondContact O-CE2 3.18Å; F393-F402 WeakPolarHBondContact O-CZ 3.37Å; A400-F402 HydrophobicContact CB-CD2 4.04Å; A400-F402 HydrophobicContact CB-CE2 3.77Å |
| 403 | A | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 152.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y238 Y240 E255 A390 V391 | Y238-A403 HydrophobicContact CD1-CB 3.71Å; Y238-A403 HydrophobicContact CD2-CB 3.75Å; Y238-A403 HydrophobicContact CE1-CB 4.18Å; Y238-A403 HydrophobicContact CE2-CB 4.27Å; Y238-A403 HydrophobicContact CG-CB 3.45Å; Y238-A403 VanDerWaalsContact CG-CB 3.45Å; Y240-A403 HydrophobicContact CE1-CB 4.27Å; E255-A403 WeakPolarHBondContact O-CA 3.34Å; A390-A403 CarbonylContact C-O 3.48Å; A390-A403 VanDerWaalsContact CA-O 3.31Å; A390-A403 WeakPolarHBondContact CA-O 3.2Å; V391-A403 PolarHBondContact N-O 2.8Å; V391-A403 PolarHBondContact O-N 3.44Å |
| 404 | I | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.1 | 166.7 | -53.5 | 173.1 | 0 | 0 | 0 | 108.1 | S253 E255 L257 A361 V364 I406 | S253-I404 VanDerWaalsContact CB-O 3.25Å; S253-I404 WeakPolarHBondContact CB-O 3.41Å; S253-I404 PolarHBondContact OG-O 3.2Å; E255-I404 HydrophobicContact CB-CD1 3.95Å; E255-I404 HydrophobicContact CB-CG1 4.5Å; E255-I404 HydrophobicContact CG-CD1 3.6Å; E255-I404 HydrophobicContact CG-CG1 4.47Å; E255-I404 PolarHBondContact O-N 3.38Å; E255-I404 WeakPolarHBondContact OE2-CD1 3.24Å; L257-I404 HydrophobicContact CB-CG1 3.83Å; L257-I404 HydrophobicContact CD1-CG1 4.4Å; A361-I404 HydrophobicContact CB-CD1 3.4Å; A361-I404 VanDerWaalsContact CB-CD1 3.4Å; A361-I404 HydrophobicContact CB-CG1 3.98Å; V364-I404 HydrophobicContact CG1-CG2 3.95Å; V364-I404 HydrophobicContact CG2-CG2 4.21Å; I404-I406 HydrophobicContact CB-CG1 4.3Å; I404-I406 HydrophobicContact CG2-CG1 4.26Å; I404-I406 HydrophobicContact CG2-CG2 3.96Å; I404-I406 PolarHBondContact O-N 3.32Å |
| 405 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -75.6 | 65.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I386 A388 G389 V391 T408 | I386-A405 HydrophobicContact CG2-CB 4.15Å; I386-A405 WeakPolarHBondContact O-CB 3.11Å; A388-A405 PolarHBondContact N-O 2.52Å; G389-A405 PolarHBondContact O-N 3.23Å; V391-A405 HydrophobicContact CG2-CB 3.99Å; A405-T408 VanDerWaalsContact C-OG1 3.3Å |
| 406 | I | 94.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | trans | -120.3 | 157.7 | 171.2 | 55.9 | 170.4 | 0 | 0 | 0 | 109.6 | P254 E255 V364 Y387 I404 T408 | P254-I406 HydrophobicContact CG-CD1 4.21Å; E255-I406 HydrophobicContact CB-CD1 4.44Å; V364-I406 HydrophobicContact CG1-CG2 3.65Å; Y387-I406 HydrophobicContact CE2-CG2 4.12Å; I404-I406 HydrophobicContact CB-CG1 4.3Å; I404-I406 HydrophobicContact CG2-CG1 4.26Å; I404-I406 HydrophobicContact CG2-CG2 3.96Å; I404-I406 PolarHBondContact O-N 3.32Å; I406-T408 PolarHBondContact N-OG1 3.17Å; I406-T408 PolarHBondContact O-N 3.07Å; I406-T408 PolarHBondContact O-OG1 2.83Å | ||
| 407 | R | 93.8 | Very high | 95.6 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 50.3 | 46.7 | -167.5 | -58.5 | -171.8 | -179 | -178.6 | -1.7 | 110.5 | G251 S252 | G251-R407 VanDerWaalsContact CA-O 3.27Å; G251-R407 WeakPolarHBondContact CA-O 3.22Å; S252-R407 PolarHBondContact N-O 3.35Å; S252-R407 WeakPolarHBondContact O-CB 3.18Å |
| 408 | T | 96.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.1 | -178.9 | -46.9 | 0 | 0 | 0 | 0 | 109.3 | Y240 V249 I250 A405 I406 | Y240-T408 HydrophobicContact CE2-CG2 3.98Å; Y240-T408 PolarHBondContact OH-OG1 3.07Å; V249-T408 HydrophobicContact CG1-CG2 3.58Å; I250-T408 CarbonylContact O-C 3.59Å; I250-T408 VanDerWaalsContact O-CA 3.3Å; I250-T408 WeakPolarHBondContact O-CA 3.49Å; A405-T408 VanDerWaalsContact C-OG1 3.3Å; I406-T408 PolarHBondContact N-OG1 3.17Å; I406-T408 PolarHBondContact O-N 3.07Å; I406-T408 PolarHBondContact O-OG1 2.83Å |
| 409 | M | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133 | 165.6 | 179.3 | 176 | -74 | 0 | 0 | 109.1 | L179 F181 F219 Y226 I250 V411 A416 H417 V418 | L179-M409 HydrophobicContact CD1-CE 4.24Å; F181-M409 HydrophobicContact CZ-CE 3.78Å; F219-M409 HydrophobicContact CD2-SD 4.4Å; F219-M409 HydrophobicContact CE2-SD 4.1Å; Y226-M409 HydrophobicContact CD1-SD 3.99Å; Y226-M409 HydrophobicContact CD2-CE 4.28Å; Y226-M409 HydrophobicContact CD2-SD 4.16Å; Y226-M409 HydrophobicContact CE1-CB 4.27Å; Y226-M409 HydrophobicContact CE1-CE 3.89Å; Y226-M409 HydrophobicContact CE1-SD 3.71Å; Y226-M409 HydrophobicContact CE2-CE 3.48Å; Y226-M409 VanDerWaalsContact CE2-CE 3.48Å; Y226-M409 HydrophobicContact CE2-SD 3.91Å; Y226-M409 HydrophobicContact CG-SD 4.23Å; Y226-M409 VanDerWaalsContact OH-CE 3.27Å; Y226-M409 WeakPolarHBondContact OH-CE 3.14Å; I250-M409 HydrophobicContact CB-CB 4.47Å; I250-M409 PolarHBondContact N-O 2.97Å; I250-M409 PolarHBondContact O-N 3.24Å; M409-V411 HydrophobicContact CG-CG2 4.09Å; M409-V411 HydrophobicContact SD-CG2 4.12Å; M409-A416 HydrophobicContact CE-CB 4.02Å; M409-A416 HydrophobicContact CG-CB 4.03Å; M409-A416 HydrophobicContact SD-CB 3.65Å; M409-H417 WeakPolarHBondContact CA-O 3.36Å; M409-V418 HydrophobicContact CB-CG2 4.11Å; M409-V418 HydrophobicContact CE-CG2 3.7Å; M409-V418 HydrophobicContact CG-CG2 4.22Å |
| 410 | V | 97.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.4 | 171.8 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | V247 Q248 I386 H417 | V247-V410 HydrophobicContact CG2-CG1 3.49Å; V247-V410 VanDerWaalsContact CG2-CG1 3.49Å; Q248-V410 WeakPolarHBondContact O-CA 3.36Å; I386-V410 HydrophobicContact CB-CG2 4.11Å; I386-V410 HydrophobicContact CD1-CG1 4.03Å; I386-V410 HydrophobicContact CD1-CG2 3.75Å; I386-V410 HydrophobicContact CG1-CG2 4.49Å; I386-V410 HydrophobicContact CG2-CG2 4.39Å; V410-H417 HydrophobicContact CB-CB 4.49Å; V410-H417 PolarHBondContact N-O 2.9Å; V410-H417 PolarHBondContact O-CD2 3.06Å; V410-H417 PolarHBondContact O-N 2.82Å |
| 411 | V | 95.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.03 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.4 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | F219 P223 V247 Q248 I250 M409 Q415 A416 | F219-V411 HydrophobicContact CB-CG1 4.48Å; F219-V411 HydrophobicContact CD1-CG1 3.63Å; F219-V411 HydrophobicContact CD1-CG2 4.07Å; F219-V411 HydrophobicContact CE1-CG1 4.17Å; F219-V411 HydrophobicContact CE1-CG2 4.07Å; F219-V411 HydrophobicContact CG-CG1 4.24Å; F219-V411 HydrophobicContact CG-CG2 4.37Å; F219-V411 HydrophobicContact CZ-CG2 4.38Å; P223-V411 HydrophobicContact CB-CG2 4.46Å; P223-V411 HydrophobicContact CG-CG1 4.27Å; V247-V411 CarbonylContact C-O 3.51Å; V247-V411 WeakPolarHBondContact CA-O 3.25Å; Q248-V411 HydrophobicContact CB-CB 4.24Å; Q248-V411 PolarHBondContact N-O 3.09Å; Q248-V411 PolarHBondContact O-N 3.08Å; I250-V411 HydrophobicContact CD1-CG2 4.05Å; M409-V411 HydrophobicContact CG-CG2 4.09Å; M409-V411 HydrophobicContact SD-CG2 4.12Å; V411-Q415 CarbonylContact C-O 3.42Å; V411-Q415 VanDerWaalsContact CA-O 3.27Å; V411-Q415 WeakPolarHBondContact CA-O 3.44Å; V411-A416 HydrophobicContact CG2-CB 4.44Å |
| 412 | K | 95 | Very high | 95.4 | Very high | 35 Ų | 35 | 27 Ų | 27 | 15% | 0.152 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 139.4 | 178 | 175.8 | 163.4 | -175.3 | -70.1 | 0 | 109.8 | L115 V117 V247 N414 Q415 | L115-K412 WeakPolarHBondContact O-CD 3.42Å; L115-K412 WeakPolarHBondContact O-CE 3.45Å; L115-K412 PolarHBondContact O-NZ 2.82Å; V117-K412 HydrophobicContact CG1-CD 3.51Å; V247-K412 HydrophobicContact CG2-CB 4.48Å; K412-N414 VanDerWaalsContact C-N 3.27Å; K412-N414 PolarHBondContact O-N 2.84Å; K412-Q415 PolarHBondContact N-O 2.92Å; K412-Q415 PolarHBondContact O-N 3.02Å |
| 413 | D | 92.9 | Very high | 95.1 | Very high | 116 Ų | 116 | 27.9 Ų | 27.9 | 62% | 0.62 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 42.3 | 176.8 | -56.7 | -38.3 | 0 | 0 | 0 | 114.1 | Q415 | D413-Q415 PolarHBondContact O-N 3.29Š|
| 414 | N | 90.7 | Very high | 94.9 | Very high | 116 Ų | 116 | 27.9 Ų | 27.9 | 62% | 0.62 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 25.9 | -174.4 | -53.9 | -45.1 | 0 | 0 | 0 | 114.6 | F219 K412 | F219-N414 PolarHBondContact N-O 2.82Å; F219-N414 CarbonylContact O-C 3.44Å; F219-N414 WeakPolarHBondContact O-CA 3.36Å; K412-N414 VanDerWaalsContact C-N 3.27Å; K412-N414 PolarHBondContact O-N 2.84Å |
| 415 | Q | 94.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 29 Ų | 29 | 46% | 0.463 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.4 | 172.1 | -62.7 | -166.9 | -7.6 | 0 | 0 | 110.3 | A217 V411 K412 D413 H417 | A217-Q415 CarbonylContact O-C 3.29Å; A217-Q415 WeakPolarHBondContact O-CA 3.35Å; V411-Q415 CarbonylContact C-O 3.42Å; V411-Q415 VanDerWaalsContact CA-O 3.27Å; V411-Q415 WeakPolarHBondContact CA-O 3.44Å; K412-Q415 PolarHBondContact N-O 2.92Å; K412-Q415 PolarHBondContact O-N 3.02Å; D413-Q415 PolarHBondContact O-N 3.29Å; Q415-H417 PolarHBondContact OE1-CE1 3.5Å |
| 416 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.5 | F181 S216 A217 F219 M409 V411 | F181-A416 HydrophobicContact CE1-CB 4.44Å; F181-A416 HydrophobicContact CZ-CB 4.44Å; S216-A416 CarbonylContact C-O 3.54Å; S216-A416 VanDerWaalsContact CA-O 3.24Å; S216-A416 WeakPolarHBondContact CA-O 3.42Å; A217-A416 PolarHBondContact N-O 2.93Å; A217-A416 PolarHBondContact O-N 2.91Å; F219-A416 HydrophobicContact CB-CB 3.68Å; F219-A416 HydrophobicContact CD2-CB 3.61Å; F219-A416 HydrophobicContact CG-CB 3.87Å; M409-A416 HydrophobicContact CE-CB 4.02Å; M409-A416 HydrophobicContact CG-CB 4.03Å; M409-A416 HydrophobicContact SD-CB 3.65Å; V411-A416 HydrophobicContact CG2-CB 4.44Å |
| 417 | H | 96.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 9% | 0.088 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.1 | 177.9 | -53.7 | -75.6 | 0 | 0 | 0 | 110.2 | L115 R214 L215 S216 M409 V410 Q415 | L115-H417 HydrophobicContact CD2-CB 4.46Å; L115-H417 WeakPolarHBondContact CD2-CD2 3.44Å; L115-H417 WeakPolarHBondContact CD2-NE2 3.37Å; R214-H417 HydrophobicContact CG-CB 4.4Å; L215-H417 WeakPolarHBondContact O-CA 3.17Å; S216-H417 WeakPolarHBondContact CB-ND1 3.29Å; S216-H417 PolarHBondContact OG-ND1 3.24Å; M409-H417 WeakPolarHBondContact CA-O 3.36Å; V410-H417 HydrophobicContact CB-CB 4.49Å; V410-H417 PolarHBondContact N-O 2.9Å; V410-H417 PolarHBondContact O-CD2 3.06Å; V410-H417 PolarHBondContact O-N 2.82Å; Q415-H417 PolarHBondContact OE1-CE1 3.5Å |
| 418 | V | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.8 | 174.3 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | F181 R214 L215 M409 A441 L444 | F181-V418 HydrophobicContact CE1-CB 4.44Å; F181-V418 HydrophobicContact CE1-CG2 4.02Å; F181-V418 HydrophobicContact CZ-CG2 4.24Å; R214-V418 CarbonylContact C-O 3.55Å; R214-V418 WeakPolarHBondContact CA-O 3.44Å; L215-V418 PolarHBondContact N-O 3.21Å; L215-V418 PolarHBondContact O-N 2.89Å; M409-V418 HydrophobicContact CB-CG2 4.11Å; M409-V418 HydrophobicContact CE-CG2 3.7Å; M409-V418 HydrophobicContact CG-CG2 4.22Å; V418-A441 HydrophobicContact CG1-CB 3.94Å; V418-L444 HydrophobicContact CB-CD1 4.31Å; V418-L444 HydrophobicContact CG1-CB 4.2Å; V418-L444 HydrophobicContact CG1-CD1 3.42Å; V418-L444 VanDerWaalsContact CG1-CD1 3.42Å; V418-L444 HydrophobicContact CG1-CG 4.44Å; V418-L444 HydrophobicContact CG2-CB 4.02Å; V418-L444 HydrophobicContact CG2-CD1 3.94Å |
| 419 | Q | 97.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137 | 179.9 | -172.7 | 163.6 | -8.2 | 0 | 0 | 110.3 | S212 Q213 R214 Y387 | S212-Q419 PolarHBondContact OG-NE2 3.38Å; Q213-Q419 WeakPolarHBondContact O-CA 3.46Å; Q213-Q419 WeakPolarHBondContact O-CG 3.49Å; R214-Q419 HydrophobicContact CB-CB 4.42Å; R214-Q419 HydrophobicContact CB-CG 4.33Å; Y387-Q419 HydrophobicContact CD1-CB 4.2Å; Y387-Q419 HydrophobicContact CD1-CG 3.51Å; Y387-Q419 HydrophobicContact CD2-CB 3.66Å; Y387-Q419 HydrophobicContact CD2-CG 3.84Å; Y387-Q419 WeakPolarHBondContact CD2-O 3.39Å; Y387-Q419 HydrophobicContact CE1-CG 3.85Å; Y387-Q419 HydrophobicContact CE2-CB 4.24Å; Y387-Q419 HydrophobicContact CE2-CG 4.16Å; Y387-Q419 WeakPolarHBondContact CE2-O 3.25Å; Y387-Q419 HydrophobicContact CG-CB 3.63Å; Y387-Q419 HydrophobicContact CG-CG 3.5Å; Y387-Q419 VanDerWaalsContact CG-CG 3.5Å |
| 420 | A | 95.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 5% | 0.05 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S212 Q213 T437 K440 A441 | S212-A420 VanDerWaalsContact CA-O 3.27Å; S212-A420 WeakPolarHBondContact CA-O 3.33Å; S212-A420 VanDerWaalsContact CB-O 3.3Å; S212-A420 WeakPolarHBondContact CB-O 3.31Å; Q213-A420 PolarHBondContact N-O 3.29Å; Q213-A420 PolarHBondContact O-N 2.92Å; Q213-A420 VanDerWaalsContact O-N 3.12Å; A420-T437 VanDerWaalsContact CB-O 3.23Å; A420-T437 WeakPolarHBondContact CB-O 3.22Å; A420-K440 HydrophobicContact CB-CB 4.01Å; A420-A441 HydrophobicContact CB-CB 4.15Å |
| 421 | G | 94.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 165.4 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | P211 Y387 K440 | P211-G421 WeakPolarHBondContact O-CA 3.48Å; Y387-G421 PolarHBondContact OH-N 3.25Å; Y387-G421 VanDerWaalsContact OH-N 3.11Å; G421-K440 WeakPolarHBondContact O-CD 3.34Å; G421-K440 PolarHBondContact O-NZ 3.4Å |
| 422 | A | 91.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -130.5 | 138.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V210 P211 I424 E433 T437 | V210-A422 WeakPolarHBondContact CA-O 3.34Å; P211-A422 WeakPolarHBondContact CD-O 3.25Å; P211-A422 PolarHBondContact O-N 2.97Å; P211-A422 VanDerWaalsContact O-N 3.14Å; A422-I424 HydrophobicContact CB-CD1 4.3Å; A422-I424 PolarHBondContact O-N 2.94Å; A422-E433 HydrophobicContact CB-CB 4.09Å; A422-T437 HydrophobicContact CB-CG2 3.72Å | ||
| 423 | G | 92.3 | Very high | 92.3 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | trans | -81.4 | 106.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 424 | I | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | 124.1 | -177.2 | -49.3 | -52.2 | 0 | 0 | 0 | 110 | V194 A197 K198 I201 Q208 V209 P211 A422 E433 | V194-I424 HydrophobicContact CB-CD1 4.38Å; V194-I424 HydrophobicContact CG1-CD1 3.9Å; V194-I424 HydrophobicContact CG1-CG1 4.41Å; V194-I424 HydrophobicContact CG1-CG2 3.99Å; V194-I424 HydrophobicContact CG2-CD1 3.79Å; V194-I424 HydrophobicContact CG2-CG1 4.4Å; A197-I424 HydrophobicContact CB-CB 4.1Å; A197-I424 HydrophobicContact CB-CG1 4.37Å; A197-I424 HydrophobicContact CB-CG2 3.78Å; K198-I424 HydrophobicContact CG-CG2 3.93Å; I201-I424 HydrophobicContact CD1-CG2 4.2Å; I201-I424 VanDerWaalsContact CD1-O 3.29Å; I201-I424 WeakPolarHBondContact CD1-O 3.41Å; Q208-I424 WeakPolarHBondContact CA-O 3.32Å; V209-I424 HydrophobicContact CG1-CB 4.3Å; V209-I424 PolarHBondContact N-O 3.2Å; V209-I424 WeakPolarHBondContact O-CB 3.43Å; V209-I424 PolarHBondContact O-N 2.97Å; P211-I424 HydrophobicContact CG-CD1 4.31Å; P211-I424 HydrophobicContact CG-CG1 3.64Å; A422-I424 HydrophobicContact CB-CD1 4.3Å; A422-I424 PolarHBondContact O-N 2.94Å; I424-E433 HydrophobicContact CD1-CB 3.87Å; I424-E433 HydrophobicContact CD1-CG 3.63Å |
| 425 | V | 89.8 | Confident | 92.3 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | trans | -121.5 | 175.1 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 110.2 | Q208 D427 S428 | Q208-V425 HydrophobicContact CB-CG1 4.4Å; Q208-V425 HydrophobicContact CG-CG1 4.29Å; V425-D427 WeakPolarHBondContact CG2-OD1 3.38Å; V425-D427 PolarHBondContact O-N 2.76Å; V425-D427 VanDerWaalsContact O-N 3.15Å; V425-S428 WeakPolarHBondContact CG2-OG 3.43Å; V425-S428 PolarHBondContact N-OG 3.47Å; V425-S428 WeakPolarHBondContact O-CB 3.48Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 VanDerWaalsContact O-N 3.16Å; V425-S428 PolarHBondContact O-OG 3.42Å | ||
| 426 | Y | 87.8 | Confident | 91.9 | Very high | 165 Ų | 165 | 37.2 Ų | 37.2 | 65% | 0.647 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -28.4 | -172.8 | 81.1 | -82.4 | 0 | 0 | 0 | 113.9 | K198 | K198-Y426 WeakPolarHBondContact CE-O 3.41Å; K198-Y426 PolarHBondContact NZ-O 3.46Å |
| 427 | D | 86.2 | Confident | 91.8 | Very high | 66 Ų | 66 | 37.2 Ų | 37.2 | 35% | 0.353 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 1.4 | -178.4 | 65.9 | -36.5 | 0 | 0 | 0 | 113.8 | K295 V425 | K295-D427 IonicContact NZ-OD1 2.73Å; K295-D427 PolarHBondContact NZ-OD1 3.43Å; K295-D427 IonicContact NZ-OD2 3.97Å; K295-D427 PolarHBondContact NZ-OD2 2.93Å; V425-D427 WeakPolarHBondContact CG2-OD1 3.38Å; V425-D427 PolarHBondContact O-N 2.76Å; V425-D427 VanDerWaalsContact O-N 3.15Å |
| 428 | S | 88.1 | Confident | 91.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | trans | -53.4 | 140.1 | 179.6 | -77.4 | 0 | 0 | 0 | 0 | 113.3 | K198 V425 E433 | K198-S428 VanDerWaalsContact CD-O 3.3Å; K198-S428 WeakPolarHBondContact CD-O 3.32Å; K198-S428 WeakPolarHBondContact CE-O 3.46Å; K198-S428 PolarHBondContact NZ-O 2.98Å; V425-S428 WeakPolarHBondContact CG2-OG 3.43Å; V425-S428 PolarHBondContact N-OG 3.47Å; V425-S428 WeakPolarHBondContact O-CB 3.48Å; V425-S428 PolarHBondContact O-N 2.96Å; V425-S428 VanDerWaalsContact O-N 3.16Å; V425-S428 PolarHBondContact O-OG 3.42Å; S428-E433 WeakPolarHBondContact CA-OE1 3.45Å; S428-E433 WeakPolarHBondContact CB-OE1 3.43Å; S428-E433 PolarHBondContact OG-OE1 3.41Å | ||
| 429 | N | 91.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 44% | 0.439 | 23% | 0.227 | S | C | . | . | trans | -100.1 | 115.3 | 175.6 | 177.7 | -67.9 | 0 | 0 | 0 | 109.9 | T431 S432 E433 | N429-T431 VanDerWaalsContact C-N 3.26Å; N429-T431 PolarHBondContact O-N 3.36Å; N429-T431 WeakPolarHBondContact OD1-CB 3.44Å; N429-T431 PolarHBondContact OD1-N 2.97Å; N429-S432 PolarHBondContact O-N 3.26Å; N429-S432 PolarHBondContact OD1-N 3.36Å; N429-S432 VanDerWaalsContact OD1-N 3.09Å; N429-S432 PolarHBondContact OD1-OG 2.77Å; N429-E433 VanDerWaalsContact O-CG 3.3Å; N429-E433 WeakPolarHBondContact O-CG 3.43Å; N429-E433 PolarHBondContact O-N 2.69Å | ||
| 430 | P | 94.5 | Very high | 90.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -47.7 | -44.1 | -174 | -29.7 | 34.5 | 0 | 0 | 0 | 115.3 | E191 V194 R195 Y434 | E191-P430 HydrophobicContact CB-CB 3.76Å; E191-P430 HydrophobicContact CG-CB 3.75Å; V194-P430 HydrophobicContact CB-CB 4.12Å; V194-P430 HydrophobicContact CB-CG 4.37Å; V194-P430 HydrophobicContact CG1-CB 4.13Å; V194-P430 HydrophobicContact CG1-CG 4.02Å; R195-P430 HydrophobicContact CG-CG 3.89Å; P430-Y434 PolarHBondContact O-N 3.19Å; P430-Y434 VanDerWaalsContact O-N 3.14Å |
| 431 | T | 94.2 | Very high | 89.7 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 31% | 0.307 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.4 | -43.6 | -178.8 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | E191 N429 Y434 F435 | E191-T431 WeakPolarHBondContact OE1-CA 3.25Å; E191-T431 WeakPolarHBondContact OE1-CB 3.45Å; E191-T431 PolarHBondContact OE1-OG1 3.25Å; N429-T431 VanDerWaalsContact C-N 3.26Å; N429-T431 PolarHBondContact O-N 3.36Å; N429-T431 WeakPolarHBondContact OD1-CB 3.44Å; N429-T431 PolarHBondContact OD1-N 2.97Å; T431-Y434 PolarHBondContact O-N 3.01Å; T431-F435 HydrophobicContact CG2-CD2 3.81Å; T431-F435 HydrophobicContact CG2-CE2 3.54Å; T431-F435 WeakPolarHBondContact O-CD2 3.22Å; T431-F435 PolarHBondContact O-N 3.42Å; T431-F435 VanDerWaalsContact O-N 3.12Å |
| 432 | S | 87.1 | Confident | 89.1 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | N429 Y434 F435 E436 | N429-S432 PolarHBondContact O-N 3.26Å; N429-S432 PolarHBondContact OD1-N 3.36Å; N429-S432 VanDerWaalsContact OD1-N 3.09Å; N429-S432 PolarHBondContact OD1-OG 2.77Å; S432-Y434 VanDerWaalsContact C-N 3.34Å; S432-Y434 PolarHBondContact O-N 2.86Å; S432-F435 PolarHBondContact O-N 3.39Å; S432-E436 PolarHBondContact O-N 3.22Å |
| 433 | E | 90.5 | Very high | 88.2 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64 | -39.2 | 179.6 | -56.2 | -61.3 | 168.4 | 0 | 0 | 111.6 | F190 V194 A422 I424 S428 N429 E436 T437 | F190-E433 HydrophobicContact CE1-CB 4.46Å; V194-E433 HydrophobicContact CG1-CG 4.29Å; V194-E433 HydrophobicContact CG2-CB 4.14Å; A422-E433 HydrophobicContact CB-CB 4.09Å; I424-E433 HydrophobicContact CD1-CB 3.87Å; I424-E433 HydrophobicContact CD1-CG 3.63Å; S428-E433 WeakPolarHBondContact CA-OE1 3.45Å; S428-E433 WeakPolarHBondContact CB-OE1 3.43Å; S428-E433 PolarHBondContact OG-OE1 3.41Å; N429-E433 VanDerWaalsContact O-CG 3.3Å; N429-E433 WeakPolarHBondContact O-CG 3.43Å; N429-E433 PolarHBondContact O-N 2.69Å; E433-E436 PolarHBondContact O-N 2.83Å; E433-T437 WeakPolarHBondContact O-CG2 3.49Å; E433-T437 PolarHBondContact O-N 3Å |
| 434 | Y | 94.1 | Very high | 87.7 | Confident | 31 Ų | 31 | 51 Ų | 51 | 12% | 0.122 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -52.6 | 172.6 | 169.8 | -102.8 | 0 | 0 | 0 | 111.5 | Q187 F190 Q213 P430 T431 S432 E436 T437 L438 | Q187-Y434 HydrophobicContact CB-CD1 4.1Å; Q187-Y434 HydrophobicContact CB-CD2 4.35Å; Q187-Y434 HydrophobicContact CB-CE1 3.73Å; Q187-Y434 HydrophobicContact CB-CE2 4.01Å; Q187-Y434 HydrophobicContact CB-CG 4.38Å; Q187-Y434 HydrophobicContact CG-CD1 3.62Å; Q187-Y434 HydrophobicContact CG-CD2 4.38Å; Q187-Y434 HydrophobicContact CG-CE1 3.73Å; Q187-Y434 HydrophobicContact CG-CE2 4.48Å; Q187-Y434 HydrophobicContact CG-CG 3.95Å; F190-Y434 HydrophobicContact CB-CD2 3.85Å; F190-Y434 HydrophobicContact CD1-CD2 4.08Å; F190-Y434 HydrophobicContact CD1-CG 4.47Å; F190-Y434 HydrophobicContact CG-CD2 4.08Å; Q213-Y434 VanDerWaalsContact NE2-CD2 3.3Å; P430-Y434 PolarHBondContact O-N 3.19Å; P430-Y434 VanDerWaalsContact O-N 3.14Å; T431-Y434 PolarHBondContact O-N 3.01Å; S432-Y434 VanDerWaalsContact C-N 3.34Å; S432-Y434 PolarHBondContact O-N 2.86Å; Y434-E436 VanDerWaalsContact C-N 3.28Å; Y434-E436 PolarHBondContact O-N 3.25Å; Y434-T437 PolarHBondContact O-N 2.73Å; Y434-T437 PolarHBondContact O-OG1 2.87Å; Y434-L438 HydrophobicContact CD1-CD1 4.39Å; Y434-L438 HydrophobicContact CE1-CD1 3.66Å; Y434-L438 HydrophobicContact CE1-CG 4.46Å; Y434-L438 HydrophobicContact CE2-CD1 4.46Å; Y434-L438 PolarHBondContact O-N 2.85Å |
| 435 | F | 89.5 | Confident | 87 | Confident | 103 Ų | 103 | 53 Ų | 53 | 45% | 0.452 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65 | -31.9 | 179.7 | -75.5 | -63.9 | 0 | 0 | 0 | 112.7 | T431 S432 T437 L438 Q439 | T431-F435 HydrophobicContact CG2-CD2 3.81Å; T431-F435 HydrophobicContact CG2-CE2 3.54Å; T431-F435 WeakPolarHBondContact O-CD2 3.22Å; T431-F435 PolarHBondContact O-N 3.42Å; T431-F435 VanDerWaalsContact O-N 3.12Å; S432-F435 PolarHBondContact O-N 3.39Å; F435-T437 VanDerWaalsContact C-N 3.35Å; F435-T437 PolarHBondContact O-N 3.01Å; F435-L438 HydrophobicContact CD1-CD1 4.21Å; F435-L438 PolarHBondContact O-N 2.88Å; F435-Q439 WeakPolarHBondContact O-CG 3.22Å; F435-Q439 PolarHBondContact O-N 2.96Å |
| 436 | E | 86.2 | Confident | 86.1 | Confident | 79 Ų | 79 | 57.8 Ų | 57.8 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.5 | -173.4 | -179.7 | 137.7 | 0 | 0 | 111.8 | S432 E433 Y434 L438 Q439 K440 | S432-E436 PolarHBondContact O-N 3.22Å; E433-E436 PolarHBondContact O-N 2.83Å; Y434-E436 VanDerWaalsContact C-N 3.28Å; Y434-E436 PolarHBondContact O-N 3.25Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; E436-Q439 PolarHBondContact O-N 3.46Å; E436-K440 HydrophobicContact CG-CD 4.31Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.45Å; E436-K440 WeakPolarHBondContact OE1-CE 3.35Å; E436-K440 IonicContact OE1-NZ 3.88Å; E436-K440 PolarHBondContact OE1-NZ 2.95Å |
| 437 | T | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | F190 Q213 A420 A422 E433 Y434 F435 K440 A441 | F190-T437 HydrophobicContact CE1-CG2 4.13Å; F190-T437 HydrophobicContact CE2-CG2 4.27Å; F190-T437 HydrophobicContact CZ-CG2 3.61Å; Q213-T437 PolarHBondContact NE2-OG1 3.04Å; A420-T437 VanDerWaalsContact CB-O 3.23Å; A420-T437 WeakPolarHBondContact CB-O 3.22Å; A422-T437 HydrophobicContact CB-CG2 3.72Å; E433-T437 WeakPolarHBondContact O-CG2 3.49Å; E433-T437 PolarHBondContact O-N 3Å; Y434-T437 PolarHBondContact O-N 2.73Å; Y434-T437 PolarHBondContact O-OG1 2.87Å; F435-T437 VanDerWaalsContact C-N 3.35Å; F435-T437 PolarHBondContact O-N 3.01Å; T437-K440 PolarHBondContact O-N 3.07Å; T437-A441 PolarHBondContact O-N 3.49Å |
| 438 | L | 89.6 | Confident | 83.8 | Confident | 39 Ų | 39 | 52.4 Ų | 52.4 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.2 | -62.2 | -176.8 | 0 | 0 | 0 | 111.7 | L215 Y434 F435 E436 A441 K442 | L215-L438 HydrophobicContact CD2-CD2 3.83Å; Y434-L438 HydrophobicContact CD1-CD1 4.39Å; Y434-L438 HydrophobicContact CE1-CD1 3.66Å; Y434-L438 HydrophobicContact CE1-CG 4.46Å; Y434-L438 HydrophobicContact CE2-CD1 4.46Å; Y434-L438 PolarHBondContact O-N 2.85Å; F435-L438 HydrophobicContact CD1-CD1 4.21Å; F435-L438 PolarHBondContact O-N 2.88Å; E436-L438 VanDerWaalsContact C-N 3.3Å; E436-L438 PolarHBondContact O-N 3.24Å; L438-A441 CarbonylContact O-C 3.6Å; L438-A441 PolarHBondContact O-N 2.97Å; L438-K442 WeakPolarHBondContact O-CB 3.47Å; L438-K442 PolarHBondContact O-N 3.37Å |
| 439 | Q | 80.6 | Confident | 82.4 | Confident | 125 Ų | 125 | 55.2 Ų | 55.2 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.2 | -38.9 | 176.8 | -68.9 | -69.2 | 17.6 | 0 | 0 | 112.3 | F435 E436 A441 K442 | F435-Q439 WeakPolarHBondContact O-CG 3.22Å; F435-Q439 PolarHBondContact O-N 2.96Å; E436-Q439 PolarHBondContact O-N 3.46Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 3Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.41Å; Q439-K442 PolarHBondContact O-N 3.09Å; Q439-K442 VanDerWaalsContact OE1-CD 3.27Å |
| 440 | K | 84.6 | Confident | 80.7 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.2 | -39 | 173.3 | -76.5 | 170.4 | 171.1 | 167.9 | 0 | 112 | A420 G421 E436 T437 | A420-K440 HydrophobicContact CB-CB 4.01Å; G421-K440 WeakPolarHBondContact O-CD 3.34Å; G421-K440 PolarHBondContact O-NZ 3.4Å; E436-K440 HydrophobicContact CG-CD 4.31Å; E436-K440 WeakPolarHBondContact O-CG 3.37Å; E436-K440 PolarHBondContact O-N 3.45Å; E436-K440 WeakPolarHBondContact OE1-CE 3.35Å; E436-K440 IonicContact OE1-NZ 3.88Å; E436-K440 PolarHBondContact OE1-NZ 2.95Å; T437-K440 PolarHBondContact O-N 3.07Å |
| 441 | A | 86.8 | Confident | 79.1 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.2 | -30.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L215 V418 A420 T437 L438 Q439 A443 L444 M445 | L215-A441 HydrophobicContact CD1-CB 3.82Å; V418-A441 HydrophobicContact CG1-CB 3.94Å; A420-A441 HydrophobicContact CB-CB 4.15Å; T437-A441 PolarHBondContact O-N 3.49Å; L438-A441 CarbonylContact O-C 3.6Å; L438-A441 PolarHBondContact O-N 2.97Å; Q439-A441 VanDerWaalsContact C-N 3.33Å; Q439-A441 PolarHBondContact O-N 3Å; A441-A443 PolarHBondContact O-N 2.98Å; A441-A443 VanDerWaalsContact O-N 3.17Å; A441-L444 WeakPolarHBondContact O-CA 3.41Å; A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.28Å; A441-M445 HydrophobicContact CB-CE 3.94Å; A441-M445 HydrophobicContact CB-SD 4.33Å; A441-M445 WeakPolarHBondContact O-CG 3.15Å; A441-M445 PolarHBondContact O-N 2.96Å; A441-M445 VanDerWaalsContact O-N 3.15Å |
| 442 | K | 80.7 | Confident | 77.6 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -54.6 | -37.9 | -175.1 | -170.7 | 179.8 | -177.6 | 177.9 | 0 | 113.4 | L438 Q439 L444 M445 E446 | L438-K442 WeakPolarHBondContact O-CB 3.47Å; L438-K442 PolarHBondContact O-N 3.37Å; Q439-K442 VanDerWaalsContact O-CB 3.32Å; Q439-K442 WeakPolarHBondContact O-CB 3.41Å; Q439-K442 PolarHBondContact O-N 3.09Å; Q439-K442 VanDerWaalsContact OE1-CD 3.27Å; K442-L444 PolarHBondContact O-N 3.23Å; K442-L444 VanDerWaalsContact O-N 3.1Å; K442-M445 HydrophobicContact CB-CE 4.23Å; K442-M445 PolarHBondContact O-N 3.37Å; K442-E446 WeakPolarHBondContact CE-OE1 3.29Å; K442-E446 WeakPolarHBondContact CE-OE2 3.47Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 3.12Å; K442-E446 IonicContact NZ-OE2 2.75Å; K442-E446 PolarHBondContact NZ-OE2 3.09Å; K442-E446 PolarHBondContact O-N 3.32Å |
| 443 | A | 74.4 | Confident | 76.6 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 21% | 0.207 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.7 | -24.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N234 A441 | N234-A443 PolarHBondContact ND2-O 3.06Å; A441-A443 PolarHBondContact O-N 2.98Å; A441-A443 VanDerWaalsContact O-N 3.17Å |
| 444 | L | 80.9 | Confident | 75.6 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -95.5 | -26.8 | 173.2 | -63 | 171.3 | 0 | 0 | 0 | 112.5 | Y226 L230 V418 A441 K442 | Y226-L444 WeakPolarHBondContact OH-CA 3.12Å; Y226-L444 WeakPolarHBondContact OH-CB 2.77Å; Y226-L444 PolarHBondContact OH-O 3.43Å; L230-L444 HydrophobicContact CD1-CD2 3.69Å; L230-L444 HydrophobicContact CD2-CD2 3.92Å; L230-L444 HydrophobicContact CG-CD2 4.48Å; V418-L444 HydrophobicContact CB-CD1 4.31Å; V418-L444 HydrophobicContact CG1-CB 4.2Å; V418-L444 HydrophobicContact CG1-CD1 3.42Å; V418-L444 VanDerWaalsContact CG1-CD1 3.42Å; V418-L444 HydrophobicContact CG1-CG 4.44Å; V418-L444 HydrophobicContact CG2-CB 4.02Å; V418-L444 HydrophobicContact CG2-CD1 3.94Å; A441-L444 WeakPolarHBondContact O-CA 3.41Å; A441-L444 WeakPolarHBondContact O-CB 3.38Å; A441-L444 PolarHBondContact O-N 3.28Å; K442-L444 PolarHBondContact O-N 3.23Å; K442-L444 VanDerWaalsContact O-N 3.1Å |
| 445 | M | 79.6 | Confident | 74.3 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -81.8 | -36.2 | -176.8 | -59.3 | -172.9 | -66.7 | 0 | 0 | 113.1 | F181 L215 A441 K442 | F181-M445 HydrophobicContact CB-CG 4.5Å; F181-M445 HydrophobicContact CB-SD 3.68Å; F181-M445 HydrophobicContact CD1-CG 4.46Å; F181-M445 HydrophobicContact CD1-SD 4.44Å; F181-M445 HydrophobicContact CD2-CB 3.76Å; F181-M445 HydrophobicContact CD2-CG 3.44Å; F181-M445 VanDerWaalsContact CD2-CG 3.44Å; F181-M445 HydrophobicContact CD2-SD 3.76Å; F181-M445 HydrophobicContact CE2-CB 3.86Å; F181-M445 HydrophobicContact CE2-CG 3.64Å; F181-M445 HydrophobicContact CG-CG 3.88Å; F181-M445 HydrophobicContact CG-SD 3.7Å; F181-M445 HydrophobicContact CZ-CG 4.26Å; L215-M445 HydrophobicContact CD2-CE 4.38Å; L215-M445 HydrophobicContact CD2-SD 3.8Å; A441-M445 HydrophobicContact CB-CE 3.94Å; A441-M445 HydrophobicContact CB-SD 4.33Å; A441-M445 WeakPolarHBondContact O-CG 3.15Å; A441-M445 PolarHBondContact O-N 2.96Å; A441-M445 VanDerWaalsContact O-N 3.15Å; K442-M445 HydrophobicContact CB-CE 4.23Å; K442-M445 PolarHBondContact O-N 3.37Å |
| 446 | E | 70.5 | Confident | 73 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | trans | -112.6 | 82.4 | -175.3 | -69.7 | -179.6 | -160.6 | 0 | 0 | 111.1 | K442 | K442-E446 WeakPolarHBondContact CE-OE1 3.29Å; K442-E446 WeakPolarHBondContact CE-OE2 3.47Å; K442-E446 HydrophobicContact CG-CG 4.34Å; K442-E446 IonicContact NZ-OE1 3.12Å; K442-E446 IonicContact NZ-OE2 2.75Å; K442-E446 PolarHBondContact NZ-OE2 3.09Å; K442-E446 PolarHBondContact O-N 3.32Å | ||
| 447 | L | 67 | Low | 72.2 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 119.8 | 171 | -63.7 | 178.8 | 0 | 0 | 0 | 110.4 | Y226 Q229 L230 N233 | Y226-L447 HydrophobicContact CD1-CD1 4.43Å; Y226-L447 HydrophobicContact CD2-CD1 3.65Å; Y226-L447 HydrophobicContact CE1-CD1 4.17Å; Y226-L447 HydrophobicContact CE2-CD1 3.32Å; Y226-L447 HydrophobicContact CE2-CG 4.18Å; Y226-L447 HydrophobicContact CG-CD1 4.17Å; Q229-L447 HydrophobicContact CB-CD1 4.04Å; Q229-L447 HydrophobicContact CG-CB 3.85Å; Q229-L447 HydrophobicContact CG-CD1 4.13Å; Q229-L447 HydrophobicContact CG-CG 4.5Å; Q229-L447 PolarHBondContact NE2-O 3.2Å; L230-L447 HydrophobicContact CB-CD1 4.33Å; L230-L447 HydrophobicContact CD1-CD2 4.17Å; N233-L447 HydrophobicContact CB-CD2 3.93Å; N233-L447 WeakPolarHBondContact ND2-CA 3.45Å |
| 448 | L | 59.5 | Low | 71.2 | Confident | 93 Ų | 93 | 84.2 Ų | 84.2 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 135.8 | 175.4 | -67.5 | 174.2 | 0 | 0 | 0 | 110.7 | Q229 N233 I454 | Q229-L448 PolarHBondContact NE2-O 2.72Å; N233-L448 PolarHBondContact ND2-N 2.91Å; N233-L448 PolarHBondContact ND2-O 3.48Å; L448-I454 HydrophobicContact CD1-CD1 4.22Å |
| 449 | P | 59.1 | Low | 70.4 | Confident | 62 Ų | 62 | 84.6 Ų | 84.6 | 40% | 0.403 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 146.3 | 174 | -24.4 | 34.7 | 0 | 0 | 0 | 112.6 | N451 V452 | P449-N451 WeakPolarHBondContact CB-OD1 3.42Å; P449-N451 PolarHBondContact O-N 2.98Å; P449-V452 HydrophobicContact CB-CG2 4.3Å; P449-V452 HydrophobicContact CG-CG2 4.44Å; P449-V452 PolarHBondContact O-N 3.34Å; P449-V452 VanDerWaalsContact O-N 3.09Å |
| 450 | E | 53.6 | Low | 70.3 | Confident | 108 Ų | 108 | 84.8 Ų | 84.8 | 51% | 0.505 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.4 | -176.3 | -161.8 | 177 | -147.5 | 0 | 0 | 113.5 | L174 Q232 | L174-E450 HydrophobicContact CD1-CB 4.31Å; Q232-E450 PolarHBondContact NE2-OE1 3.23Å; Q232-E450 PolarHBondContact OE1-OE1 3.4Å |
| 451 | N | 61 | Low | 70.1 | Confident | 133 Ų | 133 | 86.4 Ų | 86.4 | 71% | 0.711 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -3.9 | -178.6 | 63.4 | -18.1 | 0 | 0 | 0 | 114.6 | P449 | P449-N451 WeakPolarHBondContact CB-OD1 3.42Å; P449-N451 PolarHBondContact O-N 2.98Å |
| 452 | V | 62.6 | Low | 69.6 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | trans | -93.3 | 109.6 | 178.4 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | P449 I454 | P449-V452 HydrophobicContact CB-CG2 4.3Å; P449-V452 HydrophobicContact CG-CG2 4.44Å; P449-V452 PolarHBondContact O-N 3.34Å; P449-V452 VanDerWaalsContact O-N 3.09Å; V452-I454 HydrophobicContact CG1-CG1 4.3Å | ||
| 453 | K | 66.8 | Low | 69.4 | Low | 142 Ų | 142 | 92.6 Ų | 92.6 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | trans | -100.5 | 121.2 | 169.8 | -72.2 | -167.7 | 173.8 | -167.6 | 0 | 110.3 | I465 | K453-I465 HydrophobicContact CD-CD1 4.19Å; K453-I465 HydrophobicContact CD-CG2 3.99Å | ||
| 454 | I | 69.6 | Low | 69.8 | Low | 139 Ų | 139 | 93.8 Ų | 93.8 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | trans | -96.7 | 114.5 | 172.7 | -56.4 | 177.5 | 0 | 0 | 0 | 107.6 | L448 V452 | L448-I454 HydrophobicContact CD1-CD1 4.22Å; V452-I454 HydrophobicContact CG1-CG1 4.3Å | ||
| 455 | L | 66.3 | Low | 69.6 | Low | 53 Ų | 53 | 95.2 Ų | 95.2 | 28% | 0.277 | 49% | 0.487 | S | S | . | . | trans | -119.1 | 146.9 | 179.1 | -56.8 | 175 | 0 | 0 | 0 | 109.6 | D459 L462 I465 | L455-D459 HydrophobicContact CB-CB 4.15Å; L455-L462 HydrophobicContact CB-CD1 4.14Å; L455-L462 HydrophobicContact CD1-CD1 4.17Å; L455-I465 HydrophobicContact CD1-CB 3.72Å; L455-I465 HydrophobicContact CD1-CD1 3.47Å; L455-I465 VanDerWaalsContact CD1-CD1 3.47Å; L455-I465 HydrophobicContact CD1-CG1 4.15Å; L455-I465 HydrophobicContact CD1-CG2 3.76Å; L455-I465 HydrophobicContact CD2-CD1 3.9Å; L455-I465 HydrophobicContact CG-CD1 4.29Å | ||
| 456 | R | 63.8 | Low | 69.4 | Low | 171 Ų | 171 | 94.7 Ų | 94.7 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | trans | -76.4 | 156.7 | 167.5 | -67.8 | 175 | 51.5 | 136.3 | -0.3 | 109.9 | D458 D459 | R456-D458 WeakPolarHBondContact CB-OD1 3.5Å; R456-D458 IonicContact CZ-OD1 2.84Å; R456-D458 IonicContact CZ-OD2 3.89Å; R456-D458 IonicContact NE-OD1 2.78Å; R456-D458 PolarHBondContact NE-OD1 3.46Å; R456-D458 IonicContact NE-OD2 3.68Å; R456-D458 IonicContact NH2-OD1 2.66Å; R456-D458 IonicContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact NH2-OD2 3.39Å; R456-D458 PolarHBondContact O-N 2.99Å; R456-D459 WeakPolarHBondContact O-CB 3.43Å; R456-D459 PolarHBondContact O-N 2.89Å | ||
| 457 | N | 69.2 | Low | 69.8 | Low | 145 Ų | 145 | 96.8 Ų | 96.8 | 78% | 0.775 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.5 | 178.4 | 66.5 | -27.1 | 0 | 0 | 0 | 113.7 | ||
| 458 | D | 69 | Low | 70.3 | Confident | 99 Ų | 99 | 104 Ų | 104 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5 | 173.5 | 57.5 | 0.1 | 0 | 0 | 0 | 113.2 | R456 | R456-D458 WeakPolarHBondContact CB-OD1 3.5Å; R456-D458 IonicContact CZ-OD1 2.84Å; R456-D458 IonicContact CZ-OD2 3.89Å; R456-D458 IonicContact NE-OD1 2.78Å; R456-D458 PolarHBondContact NE-OD1 3.46Å; R456-D458 IonicContact NE-OD2 3.68Å; R456-D458 IonicContact NH2-OD1 2.66Å; R456-D458 IonicContact NH2-OD2 3.15Å; R456-D458 PolarHBondContact NH2-OD2 3.39Å; R456-D458 PolarHBondContact O-N 2.99Å |
| 459 | D | 73.1 | Confident | 71 | Confident | 48 Ų | 48 | 101.8 Ų | 101.8 | 26% | 0.257 | 52% | 0.524 | S | S | . | . | trans | -65.2 | 124.4 | 178.7 | -165.4 | -59.9 | 0 | 0 | 0 | 110.4 | L455 R456 E461 L462 | L455-D459 HydrophobicContact CB-CB 4.15Å; R456-D459 WeakPolarHBondContact O-CB 3.43Å; R456-D459 PolarHBondContact O-N 2.89Å; D459-E461 PolarHBondContact O-N 2.89Å; D459-E461 VanDerWaalsContact O-N 3.13Å; D459-E461 WeakPolarHBondContact OD1-CA 3.29Å; D459-E461 WeakPolarHBondContact OD1-CB 3.34Å; D459-E461 PolarHBondContact OD1-N 2.96Å; D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 WeakPolarHBondContact O-CB 3.42Å; D459-L462 PolarHBondContact O-N 3.23Å | ||
| 460 | P | 79 | Confident | 71.7 | Confident | 128 Ų | 128 | 105.1 Ų | 105.1 | 83% | 0.831 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20 | -178.9 | 24.6 | -33.2 | 0 | 0 | 0 | 113.1 | ||
| 461 | E | 79.1 | Confident | 72 | Confident | 118 Ų | 118 | 103.9 Ų | 103.9 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -2.9 | 175.7 | -56.7 | -162 | 148.2 | 0 | 0 | 113.5 | D459 F463 A464 I465 | D459-E461 PolarHBondContact O-N 2.89Å; D459-E461 VanDerWaalsContact O-N 3.13Å; D459-E461 WeakPolarHBondContact OD1-CA 3.29Å; D459-E461 WeakPolarHBondContact OD1-CB 3.34Å; D459-E461 PolarHBondContact OD1-N 2.96Å; E461-F463 PolarHBondContact O-N 3.4Å; E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.08Å; E461-I465 HydrophobicContact CB-CD1 3.66Å; E461-I465 HydrophobicContact CB-CG1 4.12Å; E461-I465 WeakPolarHBondContact O-CG1 3.49Å; E461-I465 PolarHBondContact O-N 3.19Å |
| 462 | L | 76.5 | Confident | 72.3 | Confident | 44 Ų | 44 | 101.9 Ų | 101.9 | 23% | 0.23 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -49.1 | -54.6 | -172.7 | 178.6 | 69.1 | 0 | 0 | 0 | 112.9 | L455 D459 I465 A466 | L455-L462 HydrophobicContact CB-CD1 4.14Å; L455-L462 HydrophobicContact CD1-CD1 4.17Å; D459-L462 HydrophobicContact CB-CB 4.31Å; D459-L462 WeakPolarHBondContact O-CB 3.42Å; D459-L462 PolarHBondContact O-N 3.23Å; L462-I465 PolarHBondContact O-N 2.93Å; L462-A466 WeakPolarHBondContact O-CB 3.31Å; L462-A466 PolarHBondContact O-N 3.42Å |
| 463 | F | 77.9 | Confident | 72.1 | Confident | 166 Ų | 166 | 105.2 Ų | 105.2 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.8 | -40.9 | -178.1 | -69.1 | -75.1 | 0 | 0 | 0 | 112.1 | E461 I465 A466 E467 | E461-F463 PolarHBondContact O-N 3.4Å; F463-I465 VanDerWaalsContact C-N 3.31Å; F463-I465 PolarHBondContact O-N 3.38Å; F463-A466 PolarHBondContact O-N 3.34Å; F463-E467 WeakPolarHBondContact O-CG 3.39Å; F463-E467 PolarHBondContact O-N 3.47Å |
| 464 | A | 81.4 | Confident | 71.7 | Confident | 50 Ų | 50 | 104.7 Ų | 104.7 | 41% | 0.413 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -31.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E461 | E461-A464 PolarHBondContact O-N 3.08Å; E461-A464 VanDerWaalsContact O-N 3.08Å |
| 465 | I | 76.4 | Confident | 70.8 | Confident | 32 Ų | 32 | 104.1 Ų | 104.1 | 16% | 0.164 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -79.6 | -42.3 | 174.6 | -66.6 | 170.5 | 0 | 0 | 0 | 110.3 | K453 L455 E461 L462 F463 E467 K468 A469 | K453-I465 HydrophobicContact CD-CD1 4.19Å; K453-I465 HydrophobicContact CD-CG2 3.99Å; L455-I465 HydrophobicContact CD1-CB 3.72Å; L455-I465 HydrophobicContact CD1-CD1 3.47Å; L455-I465 VanDerWaalsContact CD1-CD1 3.47Å; L455-I465 HydrophobicContact CD1-CG1 4.15Å; L455-I465 HydrophobicContact CD1-CG2 3.76Å; L455-I465 HydrophobicContact CD2-CD1 3.9Å; L455-I465 HydrophobicContact CG-CD1 4.29Å; E461-I465 HydrophobicContact CB-CD1 3.66Å; E461-I465 HydrophobicContact CB-CG1 4.12Å; E461-I465 WeakPolarHBondContact O-CG1 3.49Å; E461-I465 PolarHBondContact O-N 3.19Å; L462-I465 PolarHBondContact O-N 2.93Å; F463-I465 VanDerWaalsContact C-N 3.31Å; F463-I465 PolarHBondContact O-N 3.38Å; I465-E467 PolarHBondContact O-N 3.31Å; I465-K468 PolarHBondContact O-N 2.9Å; I465-K468 VanDerWaalsContact O-N 3.1Å; I465-A469 PolarHBondContact O-N 2.88Å |
| 466 | A | 76.3 | Confident | 70.2 | Confident | 30 Ų | 30 | 105.2 Ų | 105.2 | 25% | 0.248 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -58.8 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L462 F463 K468 A469 I472 | L462-A466 WeakPolarHBondContact O-CB 3.31Å; L462-A466 PolarHBondContact O-N 3.42Å; F463-A466 PolarHBondContact O-N 3.34Å; A466-K468 PolarHBondContact O-N 3.2Å; A466-K468 VanDerWaalsContact O-N 3.14Å; A466-A469 PolarHBondContact O-N 2.7Å; A466-A469 VanDerWaalsContact O-N 3.16Å; A466-I472 HydrophobicContact CB-CD1 3.9Å |
| 467 | E | 78.6 | Confident | 69.3 | Low | 171 Ų | 171 | 99.6 Ų | 99.6 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -25 | 176 | -81.9 | -175.6 | 167.3 | 0 | 0 | 114 | F463 I465 | F463-E467 WeakPolarHBondContact O-CG 3.39Å; F463-E467 PolarHBondContact O-N 3.47Å; I465-E467 PolarHBondContact O-N 3.31Å |
| 468 | K | 78.9 | Confident | 67.7 | Low | 177 Ų | 177 | 98.9 Ų | 98.9 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -6.9 | -177.4 | -63 | 174 | -174 | 169.7 | 0 | 113 | I465 A466 | I465-K468 PolarHBondContact O-N 2.9Å; I465-K468 VanDerWaalsContact O-N 3.1Å; A466-K468 PolarHBondContact O-N 3.2Å; A466-K468 VanDerWaalsContact O-N 3.14Å |
| 469 | A | 73.4 | Confident | 66.6 | Low | 45 Ų | 45 | 96.3 Ų | 96.3 | 37% | 0.372 | 58% | 0.583 | S | S | . | * | trans | -77.1 | 135.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I465 A466 A471 I472 | I465-A469 PolarHBondContact O-N 2.88Å; A466-A469 PolarHBondContact O-N 2.7Å; A466-A469 VanDerWaalsContact O-N 3.16Å; A469-A471 VanDerWaalsContact C-N 3.3Å; A469-I472 HydrophobicContact CB-CG1 3.76Å | ||
| 470 | S | 74.5 | Confident | 65.7 | Low | 132 Ų | 132 | 101.8 Ų | 101.8 | 92% | 0.923 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -74.4 | -23.8 | 172 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 471 | A | 58.4 | Low | 64.6 | Low | 83 Ų | 83 | 98 Ų | 98 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -147.7 | 143 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109 | A469 | A469-A471 VanDerWaalsContact C-N 3.3Š|
| 472 | I | 67.1 | Low | 63.5 | Low | 90 Ų | 90 | 97 Ų | 97 | 46% | 0.462 | 59% | 0.587 | S | S | . | * | trans | -123.4 | 125.2 | 176.3 | -54.8 | 169.1 | 0 | 0 | 0 | 107.2 | A466 A469 L474 | A466-I472 HydrophobicContact CB-CD1 3.9Å; A469-I472 HydrophobicContact CB-CG1 3.76Å; I472-L474 HydrophobicContact CG2-CD2 3.51Å; I472-L474 HydrophobicContact CG2-CG 3.69Å | ||
| 473 | V | 58.8 | Low | 62.4 | Low | 147 Ų | 147 | 101.2 Ų | 101.2 | 89% | 0.891 | 61% | 0.606 | S | S | * | * | trans | -96 | 106.5 | 166.1 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 474 | L | 59 | Low | 60.6 | Low | 130 Ų | 130 | 97.2 Ų | 97.2 | 68% | 0.681 | 60% | 0.603 | S | S | * | * | trans | -92.8 | 130.7 | 174.9 | -63.7 | 173.5 | 0 | 0 | 0 | 108.8 | I472 P476 | I472-L474 HydrophobicContact CG2-CD2 3.51Å; I472-L474 HydrophobicContact CG2-CG 3.69Å; L474-P476 HydrophobicContact CB-CG 4.1Å; L474-P476 WeakPolarHBondContact O-CD 3.45Å | ||
| 475 | S | 50.7 | Low | 58.6 | Low | 127 Ų | 127 | 95.8 Ų | 95.8 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | trans | -109.7 | 88.1 | 169.2 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 476 | P | 53.2 | Low | 57.2 | Low | 76 Ų | 76 | 98 Ų | 98 | 49% | 0.494 | 61% | 0.605 | S | S | . | * | trans | -108.3 | 162.5 | -163.5 | 24.7 | -2.8 | 0 | 0 | 0 | 113.4 | L474 I486 | L474-P476 HydrophobicContact CB-CG 4.1Å; L474-P476 WeakPolarHBondContact O-CD 3.45Å; P476-I486 HydrophobicContact CB-CD1 3.33Å; P476-I486 HydrophobicContact CG-CD1 3.63Å; P476-I486 HydrophobicContact CG-CG2 4.5Å; P476-I486 WeakPolarHBondContact O-CD1 3.45Å; P476-I486 WeakPolarHBondContact O-CG1 3.35Å; P476-I486 WeakPolarHBondContact O-CG2 3.45Å | ||
| 477 | G | 44.4 | Very low | 56 | Low | 54 Ų | 54 | 100.6 Ų | 100.6 | 56% | 0.557 | 62% | 0.62 | S | S | * | * | trans | -105.5 | 161.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116.7 | I486 | G477-I486 VanDerWaalsContact C-CD1 3.5Å; G477-I486 WeakPolarHBondContact O-CD1 3.46Å; G477-I486 WeakPolarHBondContact O-CG1 3.11Å | ||
| 478 | P | 36.1 | Very low | 55.2 | Low | 130 Ų | 130 | 93.6 Ų | 93.6 | 84% | 0.844 | 59% | 0.588 | S | S | * | * | trans | -55.3 | 152.9 | -154.8 | 21.4 | -35.3 | 0 | 0 | 0 | 121.6 | ||||
| 479 | G | 45.7 | Very low | 54.9 | Low | 44 Ų | 44 | 87.3 Ų | 87.3 | 45% | 0.454 | 57% | 0.574 | S | S | . | * | trans | 165.4 | -171.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | A484 G485 | G479-A484 WeakPolarHBondContact CA-O 3.48Å; G479-G485 VanDerWaalsContact CA-CA 3.41Å; G479-G485 CarbonylContact O-C 3.37Å; G479-G485 WeakPolarHBondContact O-CA 3.45Å | ||
| 480 | R | 54.3 | Low | 55.4 | Low | 164 Ų | 164 | 85.4 Ų | 85.4 | 62% | 0.619 | 56% | 0.557 | S | S | * | * | trans | -97.8 | 165.8 | 177.7 | -88.4 | -179 | 163 | 164.4 | -1.9 | 114 | A482 E483 A484 G485 | R480-A482 PolarHBondContact O-N 3Å; R480-E483 HydrophobicContact CB-CB 4Å; R480-E483 HydrophobicContact CB-CG 4.2Å; R480-E483 WeakPolarHBondContact CD-OE2 3.41Å; R480-E483 CarbonylContact O-C 3.55Å; R480-E483 PolarHBondContact O-N 3.44Å; R480-A484 CarbonylContact O-C 3.33Å; R480-A484 WeakPolarHBondContact O-CA 3.33Å; R480-A484 PolarHBondContact O-N 3.46Å; R480-G485 PolarHBondContact O-N 3.17Å; R480-G485 VanDerWaalsContact O-N 3.1Å | ||
| 481 | P | 55 | Low | 56 | Low | 48 Ų | 48 | 79.3 Ų | 79.3 | 31% | 0.312 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -63.6 | -40.5 | -178.2 | -15 | 30.9 | 0 | 0 | 0 | 112.2 | E483 L488 A492 | P481-E483 VanDerWaalsContact C-N 3.28Å; P481-E483 PolarHBondContact O-N 2.58Å; P481-L488 HydrophobicContact CG-CB 3.81Å; P481-L488 HydrophobicContact CG-CD1 3.39Å; P481-L488 HydrophobicContact CG-CG 4.15Å; P481-A492 HydrophobicContact CB-CB 4.41Å |
| 482 | A | 56.6 | Low | 57.1 | Low | 96 Ų | 96 | 77 Ų | 77 | 79% | 0.793 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -75.6 | -12.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R480 | R480-A482 PolarHBondContact O-N 3Š|
| 483 | E | 52.9 | Low | 58 | Low | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -125 | 16.7 | -172.2 | -57 | 170.6 | 168.1 | 0 | 0 | 112.2 | R480 P481 | R480-E483 HydrophobicContact CB-CB 4Å; R480-E483 HydrophobicContact CB-CG 4.2Å; R480-E483 WeakPolarHBondContact CD-OE2 3.41Å; R480-E483 CarbonylContact O-C 3.55Å; R480-E483 PolarHBondContact O-N 3.44Å; P481-E483 VanDerWaalsContact C-N 3.28Å; P481-E483 PolarHBondContact O-N 2.58Å |
| 484 | A | 39.9 | Very low | 59.4 | Low | 82 Ų | 82 | 67 Ų | 67 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | trans | 53.1 | 99.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G479 R480 | G479-A484 WeakPolarHBondContact CA-O 3.48Å; R480-A484 CarbonylContact O-C 3.33Å; R480-A484 WeakPolarHBondContact O-CA 3.33Å; R480-A484 PolarHBondContact O-N 3.46Å | ||
| 485 | G | 39.6 | Very low | 60.7 | Low | 19 Ų | 19 | 65.9 Ų | 65.9 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | trans | -164.3 | 169.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | G479 R480 C487 | G479-G485 VanDerWaalsContact CA-CA 3.41Å; G479-G485 CarbonylContact O-C 3.37Å; G479-G485 WeakPolarHBondContact O-CA 3.45Å; R480-G485 PolarHBondContact O-N 3.17Å; R480-G485 VanDerWaalsContact O-N 3.1Å; G485-C487 PolarHBondContact O-N 3.29Å | ||
| 486 | I | 47.5 | Very low | 62.4 | Low | 80 Ų | 80 | 65.4 Ų | 65.4 | 41% | 0.41 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.3 | -138 | -45 | -56.9 | 0 | 0 | 0 | 114.2 | P476 G477 | P476-I486 HydrophobicContact CB-CD1 3.33Å; P476-I486 HydrophobicContact CG-CD1 3.63Å; P476-I486 HydrophobicContact CG-CG2 4.5Å; P476-I486 WeakPolarHBondContact O-CD1 3.45Å; P476-I486 WeakPolarHBondContact O-CG1 3.35Å; P476-I486 WeakPolarHBondContact O-CG2 3.45Å; G477-I486 VanDerWaalsContact C-CD1 3.5Å; G477-I486 WeakPolarHBondContact O-CD1 3.46Å; G477-I486 WeakPolarHBondContact O-CG1 3.11Å |
| 487 | C | 52.4 | Low | 64.1 | Low | 84 Ų | 84 | 64.3 Ų | 64.3 | 57% | 0.568 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 11.3 | -171.5 | -129.6 | 0 | 0 | 0 | 0 | 113.9 | G485 | G485-C487 PolarHBondContact O-N 3.29Š|
| 488 | L | 60.3 | Low | 66.2 | Low | 23 Ų | 23 | 64.9 Ų | 64.9 | 12% | 0.12 | 41% | 0.413 | C | S | . | . | trans | -131.2 | 19.4 | -168.3 | -64.9 | 168.8 | 0 | 0 | 0 | 115.2 | P481 H490 Q491 A492 L529 | P481-L488 HydrophobicContact CG-CB 3.81Å; P481-L488 HydrophobicContact CG-CD1 3.39Å; P481-L488 HydrophobicContact CG-CG 4.15Å; L488-H490 VanDerWaalsContact C-N 3.29Å; L488-H490 PolarHBondContact O-N 3.15Å; L488-Q491 VanDerWaalsContact C-OE1 3.3Å; L488-Q491 HydrophobicContact CB-CB 4.45Å; L488-Q491 HydrophobicContact CD2-CB 4.29Å; L488-Q491 VanDerWaalsContact CD2-CD 3.42Å; L488-Q491 HydrophobicContact CD2-CG 4.01Å; L488-Q491 PolarHBondContact O-N 2.66Å; L488-Q491 VanDerWaalsContact O-N 3.08Å; L488-Q491 PolarHBondContact O-OE1 3.48Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 2.83Å; L488-L529 HydrophobicContact CD2-CB 4.37Å; L488-L529 HydrophobicContact CD2-CD1 4.06Å | ||
| 489 | G | 72.6 | Confident | 68.6 | Low | 46 Ų | 46 | 59 Ų | 59 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -53.8 | -43 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q491 A492 I493 | G489-Q491 PolarHBondContact O-N 3.44Å; G489-A492 PolarHBondContact O-N 3.1Å; G489-I493 WeakPolarHBondContact O-CD1 3.28Å; G489-I493 VanDerWaalsContact O-CG1 3.24Å; G489-I493 WeakPolarHBondContact O-CG1 3.5Å; G489-I493 PolarHBondContact O-N 3.15Å |
| 490 | H | 85.1 | Confident | 70.7 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.019 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 176.2 | -178.3 | 99.4 | 0 | 0 | 0 | 112.9 | L488 G494 I531 G562 L563 Q564 | L488-H490 VanDerWaalsContact C-N 3.29Å; L488-H490 PolarHBondContact O-N 3.15Å; H490-G494 PolarHBondContact O-N 3.15Å; H490-I531 WeakPolarHBondContact NE2-CD1 3.07Å; H490-G562 PolarHBondContact ND1-O 2.94Å; H490-L563 WeakPolarHBondContact CB-O 3.43Å; H490-Q564 HydrophobicContact CB-CB 4.18Å |
| 491 | Q | 86 | Confident | 72.3 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 2% | 0.023 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -74.4 | -36.8 | 179.8 | -61.6 | 86.6 | -23.7 | 0 | 0 | 111.5 | L488 G489 I493 G494 E495 I501 L529 Q564 | L488-Q491 VanDerWaalsContact C-OE1 3.3Å; L488-Q491 HydrophobicContact CB-CB 4.45Å; L488-Q491 HydrophobicContact CD2-CB 4.29Å; L488-Q491 VanDerWaalsContact CD2-CD 3.42Å; L488-Q491 HydrophobicContact CD2-CG 4.01Å; L488-Q491 PolarHBondContact O-N 2.66Å; L488-Q491 VanDerWaalsContact O-N 3.08Å; L488-Q491 PolarHBondContact O-OE1 3.48Å; G489-Q491 PolarHBondContact O-N 3.44Å; Q491-I493 VanDerWaalsContact C-N 3.31Å; Q491-I493 PolarHBondContact O-N 2.94Å; Q491-G494 CarbonylContact O-C 3.59Å; Q491-G494 WeakPolarHBondContact O-CA 3.19Å; Q491-G494 PolarHBondContact O-N 3.32Å; Q491-G494 VanDerWaalsContact O-N 3.13Å; Q491-E495 WeakPolarHBondContact O-CB 3.29Å; Q491-E495 PolarHBondContact O-N 3.4Å; Q491-I501 HydrophobicContact CB-CD1 3.89Å; Q491-I501 HydrophobicContact CB-CG1 4.34Å; Q491-I501 HydrophobicContact CB-CG2 4.39Å; Q491-I501 HydrophobicContact CG-CD1 4.38Å; Q491-I501 HydrophobicContact CG-CG2 4.31Å; Q491-I501 WeakPolarHBondContact O-CD1 3.25Å; Q491-L529 HydrophobicContact CG-CB 4.11Å; Q491-L529 PolarHBondContact NE2-O 2.99Å; Q491-Q564 VanDerWaalsContact CD-NE2 3.27Å |
| 492 | A | 81.9 | Confident | 73.9 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | P481 L488 G489 E495 V496 | P481-A492 HydrophobicContact CB-CB 4.41Å; L488-A492 WeakPolarHBondContact O-CB 3.47Å; L488-A492 PolarHBondContact O-N 2.83Å; G489-A492 PolarHBondContact O-N 3.1Å; A492-E495 PolarHBondContact O-N 3.07Å; A492-V496 VanDerWaalsContact O-CB 3.29Å; A492-V496 WeakPolarHBondContact O-CB 3.49Å; A492-V496 WeakPolarHBondContact O-CG2 3.35Å; A492-V496 PolarHBondContact O-N 3.36Å |
| 493 | I | 86.4 | Confident | 75.2 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 14% | 0.144 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -50.3 | 171.1 | -66.5 | 162.7 | 0 | 0 | 0 | 109.7 | G489 Q491 E495 V496 F497 L540 I553 V560 F561 | G489-I493 WeakPolarHBondContact O-CD1 3.28Å; G489-I493 VanDerWaalsContact O-CG1 3.24Å; G489-I493 WeakPolarHBondContact O-CG1 3.5Å; G489-I493 PolarHBondContact O-N 3.15Å; Q491-I493 VanDerWaalsContact C-N 3.31Å; Q491-I493 PolarHBondContact O-N 2.94Å; I493-E495 PolarHBondContact O-N 3.4Å; I493-V496 PolarHBondContact O-N 2.99Å; I493-F497 HydrophobicContact CG2-CD2 3.85Å; I493-F497 HydrophobicContact CG2-CE2 4.03Å; I493-F497 WeakPolarHBondContact O-CD2 3.47Å; I493-F497 PolarHBondContact O-N 3.12Å; I493-L540 HydrophobicContact CG2-CD2 4.16Å; I493-I553 HydrophobicContact CB-CD1 4.07Å; I493-I553 HydrophobicContact CG2-CD1 3.49Å; I493-I553 VanDerWaalsContact CG2-CD1 3.49Å; I493-V560 HydrophobicContact CB-CG1 4.43Å; I493-V560 HydrophobicContact CD1-CG1 3.76Å; I493-V560 HydrophobicContact CG1-CG1 3.77Å; I493-V560 HydrophobicContact CG2-CG1 3.76Å; I493-F561 WeakPolarHBondContact CD1-O 3.02Å |
| 494 | G | 87.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -50.8 | -53.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H490 Q491 F497 G498 G499 | H490-G494 PolarHBondContact O-N 3.15Å; Q491-G494 CarbonylContact O-C 3.59Å; Q491-G494 WeakPolarHBondContact O-CA 3.19Å; Q491-G494 PolarHBondContact O-N 3.32Å; Q491-G494 VanDerWaalsContact O-N 3.13Å; G494-F497 PolarHBondContact O-N 3.16Å; G494-G498 PolarHBondContact O-N 2.84Å; G494-G499 VanDerWaalsContact O-CA 3.25Å; G494-G499 WeakPolarHBondContact O-CA 3.46Å; G494-G499 PolarHBondContact O-N 3.1Å |
| 495 | E | 86 | Confident | 78.5 | Confident | 107 Ų | 107 | 51 Ų | 51 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | -176.7 | -173.5 | 169.8 | -173.1 | 0 | 0 | 113 | Q491 A492 I493 F497 G498 I501 | Q491-E495 WeakPolarHBondContact O-CB 3.29Å; Q491-E495 PolarHBondContact O-N 3.4Å; A492-E495 PolarHBondContact O-N 3.07Å; I493-E495 PolarHBondContact O-N 3.4Å; E495-F497 PolarHBondContact O-N 3.05Å; E495-G498 PolarHBondContact O-N 3.42Å; E495-I501 HydrophobicContact CB-CG1 4.15Å |
| 496 | V | 86.4 | Confident | 80.4 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 71% | 0.709 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.8 | -35.6 | 177.1 | 165.9 | 0 | 0 | 0 | 0 | 111.5 | A492 I493 G498 | A492-V496 VanDerWaalsContact O-CB 3.29Å; A492-V496 WeakPolarHBondContact O-CB 3.49Å; A492-V496 WeakPolarHBondContact O-CG2 3.35Å; A492-V496 PolarHBondContact O-N 3.36Å; I493-V496 PolarHBondContact O-N 2.99Å; V496-G498 VanDerWaalsContact C-N 3.33Å |
| 497 | F | 89.4 | Confident | 82 | Confident | 52 Ų | 52 | 55 Ų | 55 | 23% | 0.228 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 13.4 | 176.8 | -65.9 | -67.9 | 0 | 0 | 0 | 113.7 | I493 G494 E495 P537 L540 H555 Y558 V560 | I493-F497 HydrophobicContact CG2-CD2 3.85Å; I493-F497 HydrophobicContact CG2-CE2 4.03Å; I493-F497 WeakPolarHBondContact O-CD2 3.47Å; I493-F497 PolarHBondContact O-N 3.12Å; G494-F497 PolarHBondContact O-N 3.16Å; E495-F497 PolarHBondContact O-N 3.05Å; F497-P537 HydrophobicContact CB-CB 4.49Å; F497-P537 HydrophobicContact CB-CG 4.49Å; F497-P537 WeakPolarHBondContact O-CB 3.47Å; F497-P537 WeakPolarHBondContact O-CG 3.28Å; F497-L540 HydrophobicContact CB-CD1 4.12Å; F497-L540 HydrophobicContact CB-CD2 4.42Å; F497-L540 HydrophobicContact CB-CG 4.16Å; F497-L540 HydrophobicContact CD2-CD2 3.96Å; F497-L540 HydrophobicContact CG-CD2 4.33Å; F497-H555 AromaticContact CD1-CD2 3.54Å; F497-H555 AromaticContact CD1-NE2 3.46Å; F497-H555 WeakPolarHBondContact CD1-NE2 3.13Å; F497-H555 AromaticContact CD2-CD2 3.89Å; F497-H555 AromaticContact CE1-CD2 3.32Å; F497-H555 WeakPolarHBondContact CE1-CD2 3.17Å; F497-H555 AromaticContact CE1-NE2 3.18Å; F497-H555 WeakPolarHBondContact CE1-NE2 3.19Å; F497-H555 AromaticContact CE2-CD2 3.71Å; F497-H555 AromaticContact CG-CD2 3.84Å; F497-H555 AromaticContact CZ-CD2 3.42Å; F497-H555 VanDerWaalsContact CZ-CD2 3.42Å; F497-H555 WeakPolarHBondContact CZ-CD2 3.28Å; F497-H555 AromaticContact CZ-NE2 3.73Å; F497-Y558 HydrophobicContact CE1-CD2 4.28Å; F497-Y558 HydrophobicContact CZ-CD2 4.31Å; F497-V560 HydrophobicContact CE2-CG1 4.21Å |
| 498 | G | 87.5 | Confident | 82.8 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 68% | 0.68 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 12.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G494 E495 V496 | G494-G498 PolarHBondContact O-N 2.84Å; E495-G498 PolarHBondContact O-N 3.42Å; V496-G498 VanDerWaalsContact C-N 3.33Å |
| 499 | G | 87.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 54 Ų | 54 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 142.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G494 P537 | G494-G499 VanDerWaalsContact O-CA 3.25Å; G494-G499 WeakPolarHBondContact O-CA 3.46Å; G494-G499 PolarHBondContact O-N 3.1Å; G499-P537 VanDerWaalsContact CA-CG 3.43Å |
| 500 | K | 88.7 | Confident | 82.8 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 127.3 | 175.7 | -172.2 | 178.2 | 179 | -174.4 | 0 | 110 | V502 D532 Q535 | K500-V502 HydrophobicContact CD-CG1 4.3Å; K500-V502 HydrophobicContact CG-CG1 4.19Å; K500-D532 HydrophobicContact CB-CB 4.19Å; K500-D532 WeakPolarHBondContact O-CB 3.46Å; K500-D532 PolarHBondContact O-N 3.17Å; K500-Q535 HydrophobicContact CB-CB 4.19Å |
| 501 | I | 88.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.8 | 174.4 | -52.4 | -52.4 | 0 | 0 | 0 | 109.2 | Q491 E495 L529 I531 | Q491-I501 HydrophobicContact CB-CD1 3.89Å; Q491-I501 HydrophobicContact CB-CG1 4.34Å; Q491-I501 HydrophobicContact CB-CG2 4.39Å; Q491-I501 HydrophobicContact CG-CD1 4.38Å; Q491-I501 HydrophobicContact CG-CG2 4.31Å; Q491-I501 WeakPolarHBondContact O-CD1 3.25Å; E495-I501 HydrophobicContact CB-CG1 4.15Å; I501-L529 HydrophobicContact CG2-CB 3.76Å; I501-L529 HydrophobicContact CG2-CD1 4.02Å; I501-L529 HydrophobicContact CG2-CD2 4.22Å; I501-L529 HydrophobicContact CG2-CG 4.22Å; I501-I531 HydrophobicContact CD1-CG1 4.05Å |
| 502 | V | 88.6 | Confident | 81.8 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 161.3 | -179.7 | -64 | 0 | 0 | 0 | 0 | 110.3 | K500 L529 M530 D532 | K500-V502 HydrophobicContact CD-CG1 4.3Å; K500-V502 HydrophobicContact CG-CG1 4.19Å; V502-L529 WeakPolarHBondContact O-CA 3.18Å; V502-M530 HydrophobicContact CG2-CG 3.96Å; V502-M530 PolarHBondContact N-O 3.44Å; V502-M530 PolarHBondContact O-N 2.88Å; V502-D532 HydrophobicContact CG1-CB 3.93Å; V502-D532 HydrophobicContact CG2-CB 3.92Å |
| 503 | S | 85.4 | Confident | 81.9 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 68% | 0.678 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.4 | 171.3 | -59.2 | 0 | 0 | 0 | 0 | 110.8 | S528 | S503-S528 WeakPolarHBondContact CA-O 3.48Å |
| 504 | A | 82.9 | Confident | 81.9 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 142.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T506 S528 M530 | A504-T506 PolarHBondContact O-N 2.84Å; A504-S528 PolarHBondContact N-O 3.11Å; A504-M530 HydrophobicContact CB-CG 4.25Å; A504-M530 HydrophobicContact CB-SD 3.95Å |
| 505 | P | 78.8 | Confident | 81.9 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -25.5 | -178.2 | 25.1 | -33.3 | 0 | 0 | 0 | 112.7 | M530 | P505-M530 VanDerWaalsContact CD-SD 3.6Å |
| 506 | T | 79.1 | Confident | 81.9 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130 | 169.9 | -60.9 | 0 | 0 | 0 | 0 | 108.4 | A504 M508 | A504-T506 PolarHBondContact O-N 2.84Å; T506-M508 HydrophobicContact CG2-CG 4.27Å; T506-M508 HydrophobicContact CG2-SD 3.77Å; T506-M508 PolarHBondContact O-N 2.99Å |
| 507 | I | 80.5 | Confident | 81.6 | Confident | 109 Ų | 109 | 67.4 Ų | 67.4 | 56% | 0.559 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 121.1 | 175.6 | -60.9 | 172.7 | 0 | 0 | 0 | 108.1 | H509 | I507-H509 WeakPolarHBondContact CG2-ND1 3.21Å |
| 508 | M | 70.5 | Confident | 80.6 | Confident | 9 Ų | 9 | 71.3 Ų | 71.3 | 4% | 0.044 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 87.1 | -173.4 | -64.1 | -68.6 | -79.5 | 0 | 0 | 109 | T506 K511 S513 R525 Y526 H527 | T506-M508 HydrophobicContact CG2-CG 4.27Å; T506-M508 HydrophobicContact CG2-SD 3.77Å; T506-M508 PolarHBondContact O-N 2.99Å; M508-K511 HydrophobicContact CE-CB 3.68Å; M508-K511 HydrophobicContact CE-CD 3.84Å; M508-K511 HydrophobicContact CE-CG 4.44Å; M508-K511 HydrophobicContact SD-CB 4.21Å; M508-K511 HydrophobicContact SD-CD 3.39Å; M508-K511 WeakPolarHBondContact SD-CD 3.35Å; M508-K511 HydrophobicContact SD-CG 4.44Å; M508-S513 WeakPolarHBondContact CE-OG 3.49Å; M508-R525 CarbonylContact C-O 3.52Å; M508-R525 HydrophobicContact CB-CB 3.69Å; M508-R525 CarbonylContact O-C 3.59Å; M508-Y526 CarbonylContact O-C 3.4Å; M508-Y526 VanDerWaalsContact O-CA 3.23Å; M508-Y526 WeakPolarHBondContact O-CA 3.48Å; M508-Y526 PolarHBondContact O-N 2.91Å; M508-Y526 VanDerWaalsContact O-N 3.13Å; M508-H527 PolarHBondContact N-O 3.42Å; M508-H527 PolarHBondContact O-N 3.37Å |
| 509 | H | 69.5 | Low | 79.3 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.9 | 174.6 | -73.4 | 72.8 | 0 | 0 | 0 | 110.2 | I507 K511 R525 Q590 | I507-H509 WeakPolarHBondContact CG2-ND1 3.21Å; H509-K511 VanDerWaalsContact C-N 3.31Å; H509-K511 PolarHBondContact O-N 3.12Å; H509-R525 CarbonylContact C-O 3.57Å; H509-R525 WeakPolarHBondContact CA-O 3.47Å; H509-Q590 PolarHBondContact O-NE2 3.49Å |
| 510 | G | 61.6 | Low | 78.6 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.8 | 30.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M524 R525 Q590 | G510-M524 VanDerWaalsContact O-CE 3.25Å; G510-M524 WeakPolarHBondContact O-CE 3.25Å; G510-R525 PolarHBondContact N-O 3.05Å; G510-Q590 PolarHBondContact O-OE1 3.2Å |
| 511 | K | 74.2 | Confident | 77.9 | Confident | 100 Ų | 100 | 77 Ų | 77 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.9 | 177.1 | -72.4 | 178.6 | 176.5 | 177 | 0 | 110.6 | M508 H509 M524 R525 | M508-K511 HydrophobicContact CE-CB 3.68Å; M508-K511 HydrophobicContact CE-CD 3.84Å; M508-K511 HydrophobicContact CE-CG 4.44Å; M508-K511 HydrophobicContact SD-CB 4.21Å; M508-K511 HydrophobicContact SD-CD 3.39Å; M508-K511 WeakPolarHBondContact SD-CD 3.35Å; M508-K511 HydrophobicContact SD-CG 4.44Å; H509-K511 VanDerWaalsContact C-N 3.31Å; H509-K511 PolarHBondContact O-N 3.12Å; K511-M524 VanDerWaalsContact C-SD 3.59Å; K511-R525 PolarHBondContact O-N 3.33Å |
| 512 | Q | 77.8 | Confident | 77.4 | Confident | 107 Ų | 107 | 77.7 Ų | 77.7 | 50% | 0.5 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.4 | 171.3 | -69.1 | 174.3 | -23.9 | 0 | 0 | 109.4 | L522 V523 M524 G571 | Q512-L522 HydrophobicContact CB-CD1 4.25Å; Q512-L522 HydrophobicContact CB-CD2 4.36Å; Q512-L522 HydrophobicContact CB-CG 4.14Å; Q512-L522 VanDerWaalsContact CD-CD2 3.41Å; Q512-L522 HydrophobicContact CG-CD2 3.99Å; Q512-L522 HydrophobicContact CG-CG 4.19Å; Q512-L522 VanDerWaalsContact NE2-CD2 3.28Å; Q512-V523 WeakPolarHBondContact CA-O 3.39Å; Q512-M524 HydrophobicContact CB-SD 4.36Å; Q512-M524 HydrophobicContact CG-SD 3.53Å; Q512-M524 VanDerWaalsContact CG-SD 3.53Å; Q512-G571 PolarHBondContact NE2-O 2.86Å |
| 513 | S | 83.2 | Confident | 77 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.9 | 161.7 | -69.4 | 0 | 0 | 0 | 0 | 108.9 | M508 V523 R525 E547 | M508-S513 WeakPolarHBondContact CE-OG 3.49Å; S513-V523 PolarHBondContact N-O 3.3Å; S513-V523 WeakPolarHBondContact O-CG2 3.49Å; S513-V523 PolarHBondContact O-N 2.91Å; S513-R525 VanDerWaalsContact CB-CD 3.44Å; S513-R525 WeakPolarHBondContact OG-CD 3.29Å; S513-R525 PolarHBondContact OG-NH1 2.86Å; S513-E547 PolarHBondContact OG-OE1 2.93Å |
| 514 | R | 86.8 | Confident | 76.6 | Confident | 152 Ų | 152 | 71.7 Ų | 71.7 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.8 | 171.2 | -174.7 | 166.9 | -83.8 | 162.5 | -0.9 | 108.5 | E520 | R514-E520 HydrophobicContact CG-CB 4.28Å; R514-E520 WeakPolarHBondContact CG-O 3.35Å; R514-E520 PolarHBondContact NE-O 3.36Å |
| 515 | L | 86.9 | Confident | 76.5 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | trans | -64.4 | 150.8 | 172 | -71 | 177.7 | 0 | 0 | 0 | 110.2 | S519 R521 V523 D544 M551 F565 | L515-S519 CarbonylContact C-O 3.42Å; L515-S519 VanDerWaalsContact C-O 3.29Å; L515-S519 WeakPolarHBondContact CB-O 3.49Å; L515-S519 VanDerWaalsContact O-O 3.08Å; L515-R521 PolarHBondContact N-O 2.72Å; L515-V523 HydrophobicContact CD1-CG1 3.88Å; L515-V523 HydrophobicContact CD1-CG2 4.35Å; L515-V523 HydrophobicContact CD2-CG2 4.06Å; L515-V523 HydrophobicContact CG-CG1 4.2Å; L515-V523 HydrophobicContact CG-CG2 3.86Å; L515-D544 HydrophobicContact CD2-CB 4.32Å; L515-M551 HydrophobicContact CD2-CB 3.72Å; L515-M551 HydrophobicContact CD2-CG 4.01Å; L515-F565 HydrophobicContact CD1-CE1 4.02Å; L515-F565 HydrophobicContact CD1-CE2 4.12Å; L515-F565 HydrophobicContact CD1-CZ 3.81Å; L515-F565 HydrophobicContact CD2-CD1 4.06Å; L515-F565 HydrophobicContact CD2-CE1 4.07Å | ||
| 516 | Q | 86.9 | Confident | 76.2 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -113.8 | -23 | -164.4 | -65.9 | 179.7 | -19.7 | 0 | 0 | 114.9 | D544 E545 | Q516-D544 PolarHBondContact N-OD1 3.42Å; Q516-E545 VanDerWaalsContact CB-O 3.29Å; Q516-E545 WeakPolarHBondContact CB-O 3.28Å; Q516-E545 WeakPolarHBondContact CG-O 3.27Å; Q516-E545 PolarHBondContact N-O 3.28Å |
| 517 | R | 80.6 | Confident | 76.1 | Confident | 133 Ų | 133 | 65 Ų | 65 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -104.9 | -60.8 | -174 | -67.1 | -170.7 | 175.3 | 178.6 | 2.9 | 113.8 | V542 D544 E545 | R517-V542 PolarHBondContact NH1-O 3.46Å; R517-D544 PolarHBondContact N-OD1 2.61Å; R517-E545 IonicContact CZ-OE1 3.56Å; R517-E545 IonicContact CZ-OE2 3Å; R517-E545 IonicContact NE-OE1 3.65Å; R517-E545 IonicContact NE-OE2 3.85Å; R517-E545 IonicContact NH1-OE1 2.84Å; R517-E545 IonicContact NH2-OE1 3.37Å; R517-E545 PolarHBondContact NH2-OE1 3.22Å; R517-E545 IonicContact NH2-OE2 3.78Å; R517-E545 PolarHBondContact NH2-OE2 3.33Å; R517-E545 VanDerWaalsContact NH2-OE2 3.15Å |
| 518 | Q | 67.1 | Low | 76 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -99.9 | -26.8 | -168.3 | -71.8 | -163.4 | -10.1 | 0 | 0 | 113.4 | M543 D544 | Q518-M543 WeakPolarHBondContact CG-O 3.29Å; Q518-M543 VanDerWaalsContact NE2-CE 3.26Å; Q518-D544 PolarHBondContact N-OD2 2.86Å |
| 519 | S | 59.6 | Low | 76.7 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | trans | -145.9 | 136.3 | 177.2 | 66.1 | 0 | 0 | 0 | 0 | 110 | L515 R521 | L515-S519 CarbonylContact C-O 3.42Å; L515-S519 VanDerWaalsContact C-O 3.29Å; L515-S519 WeakPolarHBondContact CB-O 3.49Å; L515-S519 VanDerWaalsContact O-O 3.08Å; S519-R521 PolarHBondContact O-N 3.08Å | ||
| 520 | E | 74.3 | Confident | 77.6 | Confident | 158 Ų | 158 | 61 Ų | 61 | 74% | 0.738 | 28% | 0.283 | S | S | * | . | trans | -78.9 | 28.2 | 168.1 | -67.2 | -162.2 | 159.9 | 0 | 0 | 111.6 | R514 | R514-E520 HydrophobicContact CG-CB 4.28Å; R514-E520 WeakPolarHBondContact CG-O 3.35Å; R514-E520 PolarHBondContact NE-O 3.36Å | ||
| 521 | R | 73.5 | Confident | 79 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | trans | -73.3 | 143.8 | -174.1 | -163.7 | 172.9 | -174.3 | -158.5 | -6.4 | 110.4 | L515 S519 E573 D574 | L515-R521 PolarHBondContact N-O 2.72Å; S519-R521 PolarHBondContact O-N 3.08Å; R521-E573 IonicContact NE-OE2 2.74Å; R521-D574 IonicContact CZ-OD2 2.94Å; R521-D574 IonicContact NH1-OD2 3.6Å; R521-D574 IonicContact NH2-OD1 3.24Å; R521-D574 IonicContact NH2-OD2 3.23Å; R521-D574 PolarHBondContact NH2-OD2 2.88Å | ||
| 522 | L | 78.6 | Confident | 79.8 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 122.9 | 174.7 | -154.5 | 78.1 | 0 | 0 | 0 | 109.1 | Q512 | Q512-L522 HydrophobicContact CB-CD1 4.25Å; Q512-L522 HydrophobicContact CB-CD2 4.36Å; Q512-L522 HydrophobicContact CB-CG 4.14Å; Q512-L522 VanDerWaalsContact CD-CD2 3.41Å; Q512-L522 HydrophobicContact CG-CD2 3.99Å; Q512-L522 HydrophobicContact CG-CG 4.19Å; Q512-L522 VanDerWaalsContact NE2-CD2 3.28Å |
| 523 | V | 79.5 | Confident | 80.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.5 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | Q512 S513 L515 F565 | Q512-V523 WeakPolarHBondContact CA-O 3.39Å; S513-V523 PolarHBondContact N-O 3.3Å; S513-V523 WeakPolarHBondContact O-CG2 3.49Å; S513-V523 PolarHBondContact O-N 2.91Å; L515-V523 HydrophobicContact CD1-CG1 3.88Å; L515-V523 HydrophobicContact CD1-CG2 4.35Å; L515-V523 HydrophobicContact CD2-CG2 4.06Å; L515-V523 HydrophobicContact CG-CG1 4.2Å; L515-V523 HydrophobicContact CG-CG2 3.86Å; V523-F565 HydrophobicContact CB-CB 3.92Å; V523-F565 HydrophobicContact CB-CD2 3.82Å; V523-F565 HydrophobicContact CB-CG 4.09Å; V523-F565 HydrophobicContact CG1-CD2 3.65Å; V523-F565 HydrophobicContact CG1-CE2 4.08Å; V523-F565 HydrophobicContact CG1-CG 4.29Å; V523-F565 HydrophobicContact CG2-CB 3.65Å; V523-F565 HydrophobicContact CG2-CD2 4.13Å; V523-F565 HydrophobicContact CG2-CG 3.91Å |
| 524 | M | 76.3 | Confident | 80.5 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.5 | 175.1 | -70.2 | -76.9 | -85.1 | 0 | 0 | 110.6 | G510 K511 Q512 Y526 F565 H566 S569 T572 | G510-M524 VanDerWaalsContact O-CE 3.25Å; G510-M524 WeakPolarHBondContact O-CE 3.25Å; K511-M524 VanDerWaalsContact C-SD 3.59Å; Q512-M524 HydrophobicContact CB-SD 4.36Å; Q512-M524 HydrophobicContact CG-SD 3.53Å; Q512-M524 VanDerWaalsContact CG-SD 3.53Å; M524-Y526 HydrophobicContact CB-CD2 4.38Å; M524-Y526 HydrophobicContact CB-CE2 3.67Å; M524-F565 CarbonylContact O-C 3.6Å; M524-F565 WeakPolarHBondContact O-CA 3.45Å; M524-H566 PolarHBondContact N-O 3.13Å; M524-H566 PolarHBondContact O-N 3.32Å; M524-S569 VanDerWaalsContact CB-CB 3.49Å; M524-T572 HydrophobicContact CB-CG2 4.23Å; M524-T572 HydrophobicContact CG-CG2 3.68Å |
| 525 | R | 81.2 | Confident | 80.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140 | 179.7 | -65.1 | 172.4 | 62.8 | -178.4 | 4.7 | 110.2 | M508 H509 G510 K511 S513 H527 E547 C549 M551 | M508-R525 CarbonylContact C-O 3.52Å; M508-R525 HydrophobicContact CB-CB 3.69Å; M508-R525 CarbonylContact O-C 3.59Å; H509-R525 CarbonylContact C-O 3.57Å; H509-R525 WeakPolarHBondContact CA-O 3.47Å; G510-R525 PolarHBondContact N-O 3.05Å; K511-R525 PolarHBondContact O-N 3.33Å; S513-R525 VanDerWaalsContact CB-CD 3.44Å; S513-R525 WeakPolarHBondContact OG-CD 3.29Å; S513-R525 PolarHBondContact OG-NH1 2.86Å; R525-H527 PolarHBondContact NE-NE2 3.39Å; R525-H527 PolarHBondContact NH2-CE1 2.87Å; R525-E547 IonicContact CZ-OE2 3.41Å; R525-E547 VanDerWaalsContact NH1-CD 3.26Å; R525-E547 IonicContact NH1-OE1 3.99Å; R525-E547 IonicContact NH1-OE2 2.96Å; R525-E547 PolarHBondContact NH1-OE2 3.35Å; R525-C549 PolarHBondContact NH2-SG 2.96Å; R525-M551 HydrophobicContact CG-CE 3.66Å |
| 526 | Y | 72.2 | Confident | 80.6 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 53.6 | 177.4 | -66.4 | -98.8 | 0 | 0 | 0 | 112 | M508 M524 H566 S569 E587 | M508-Y526 CarbonylContact O-C 3.4Å; M508-Y526 VanDerWaalsContact O-CA 3.23Å; M508-Y526 WeakPolarHBondContact O-CA 3.48Å; M508-Y526 PolarHBondContact O-N 2.91Å; M508-Y526 VanDerWaalsContact O-N 3.13Å; M524-Y526 HydrophobicContact CB-CD2 4.38Å; M524-Y526 HydrophobicContact CB-CE2 3.67Å; Y526-H566 HydrophobicContact CD2-CB 4.28Å; Y526-H566 AromaticContact CD2-CD2 3.41Å; Y526-H566 VanDerWaalsContact CD2-CD2 3.41Å; Y526-H566 WeakPolarHBondContact CD2-CD2 3.23Å; Y526-H566 AromaticContact CD2-CG 3.99Å; Y526-H566 HydrophobicContact CE2-CB 4.23Å; Y526-S569 WeakPolarHBondContact CE2-OG 3.31Å; Y526-E587 PolarHBondContact OH-OE1 2.73Å |
| 527 | H | 77 | Confident | 80.6 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.8 | -173.8 | 70.1 | 87.7 | 0 | 0 | 0 | 114 | M508 R525 M551 Q564 | M508-H527 PolarHBondContact N-O 3.42Å; M508-H527 PolarHBondContact O-N 3.37Å; R525-H527 PolarHBondContact NE-NE2 3.39Å; R525-H527 PolarHBondContact NH2-CE1 2.87Å; H527-M551 PolarHBondContact NE2-SD 3.17Å; H527-M551 VanDerWaalsContact NE2-SD 3.44Å; H527-Q564 HydrophobicContact CB-CG 3.85Å; H527-Q564 WeakPolarHBondContact CD2-CG 3.44Å; H527-Q564 PolarHBondContact CD2-O 2.95Å; H527-Q564 PolarHBondContact CE1-OE1 3.41Å |
| 528 | S | 77.9 | Confident | 81.1 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -13.3 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | S503 A504 | S503-S528 WeakPolarHBondContact CA-O 3.48Å; A504-S528 PolarHBondContact N-O 3.11Å |
| 529 | L | 85.7 | Confident | 82.2 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141 | 174.8 | -65.2 | 179 | 0 | 0 | 0 | 108.6 | L488 Q491 I501 V502 Q564 | L488-L529 HydrophobicContact CD2-CB 4.37Å; L488-L529 HydrophobicContact CD2-CD1 4.06Å; Q491-L529 HydrophobicContact CG-CB 4.11Å; Q491-L529 PolarHBondContact NE2-O 2.99Å; I501-L529 HydrophobicContact CG2-CB 3.76Å; I501-L529 HydrophobicContact CG2-CD1 4.02Å; I501-L529 HydrophobicContact CG2-CD2 4.22Å; I501-L529 HydrophobicContact CG2-CG 4.22Å; V502-L529 WeakPolarHBondContact O-CA 3.18Å; L529-Q564 PolarHBondContact O-NE2 3.21Å |
| 530 | M | 88.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 159.6 | 175.3 | 58.2 | -173.6 | -98.3 | 0 | 0 | 109.6 | V502 A504 P505 D532 P533 C549 | V502-M530 HydrophobicContact CG2-CG 3.96Å; V502-M530 PolarHBondContact N-O 3.44Å; V502-M530 PolarHBondContact O-N 2.88Å; A504-M530 HydrophobicContact CB-CG 4.25Å; A504-M530 HydrophobicContact CB-SD 3.95Å; P505-M530 VanDerWaalsContact CD-SD 3.6Å; M530-D532 PolarHBondContact O-N 2.71Å; M530-P533 HydrophobicContact CE-CG 3.15Å; M530-C549 HydrophobicContact SD-CB 4.2Å |
| 531 | I | 90.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.3 | 163.9 | -59 | 174.3 | 0 | 0 | 0 | 106.8 | H490 I501 P533 V536 I550 I553 | H490-I531 WeakPolarHBondContact NE2-CD1 3.07Å; I501-I531 HydrophobicContact CD1-CG1 4.05Å; I531-P533 WeakPolarHBondContact O-CD 3.49Å; I531-P533 VanDerWaalsContact O-N 3.13Å; I531-V536 HydrophobicContact CG2-CG2 4.33Å; I531-I550 HydrophobicContact CB-CD1 4.26Å; I531-I550 HydrophobicContact CG2-CD1 4.26Å; I531-I553 HydrophobicContact CD1-CD1 3.64Å; I531-I553 HydrophobicContact CD1-CG2 4.18Å |
| 532 | D | 90.7 | Very high | 85.5 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | trans | -57 | 114.4 | 175 | -174.6 | -15.7 | 0 | 0 | 0 | 109.1 | K500 V502 M530 H534 Q535 V536 | K500-D532 HydrophobicContact CB-CB 4.19Å; K500-D532 WeakPolarHBondContact O-CB 3.46Å; K500-D532 PolarHBondContact O-N 3.17Å; V502-D532 HydrophobicContact CG1-CB 3.93Å; V502-D532 HydrophobicContact CG2-CB 3.92Å; M530-D532 PolarHBondContact O-N 2.71Å; D532-H534 PolarHBondContact O-N 3.07Å; D532-H534 VanDerWaalsContact O-N 3.08Å; D532-H534 WeakPolarHBondContact OD1-CB 3.35Å; D532-H534 IonicContact OD1-CD2 3.64Å; D532-H534 IonicContact OD1-CG 3.67Å; D532-H534 PolarHBondContact OD1-N 2.96Å; D532-Q535 HydrophobicContact CB-CB 4.1Å; D532-Q535 HydrophobicContact CB-CG 4.47Å; D532-Q535 CarbonylContact O-C 3.39Å; D532-Q535 PolarHBondContact O-N 3.39Å; D532-V536 PolarHBondContact O-N 3.45Å | ||
| 533 | P | 88.7 | Confident | 86.1 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.5 | -178.1 | -21.1 | 33.4 | 0 | 0 | 0 | 112.6 | M530 I531 I550 | M530-P533 HydrophobicContact CE-CG 3.15Å; I531-P533 WeakPolarHBondContact O-CD 3.49Å; I531-P533 VanDerWaalsContact O-N 3.13Å; P533-I550 HydrophobicContact CB-CD1 4.34Å |
| 534 | H | 87.9 | Confident | 86.6 | Confident | 173 Ų | 173 | 46.1 Ų | 46.1 | 80% | 0.801 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.5 | 176.4 | -54.1 | -61.7 | 0 | 0 | 0 | 113.3 | D532 | D532-H534 PolarHBondContact O-N 3.07Å; D532-H534 VanDerWaalsContact O-N 3.08Å; D532-H534 WeakPolarHBondContact OD1-CB 3.35Å; D532-H534 IonicContact OD1-CD2 3.64Å; D532-H534 IonicContact OD1-CG 3.67Å; D532-H534 PolarHBondContact OD1-N 2.96Å |
| 535 | Q | 87.2 | Confident | 87.3 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -134.3 | 47.6 | -178.5 | -55.2 | -170.5 | 18.8 | 0 | 0 | 112.3 | K500 D532 P537 | K500-Q535 HydrophobicContact CB-CB 4.19Å; D532-Q535 HydrophobicContact CB-CB 4.1Å; D532-Q535 HydrophobicContact CB-CG 4.47Å; D532-Q535 CarbonylContact O-C 3.39Å; D532-Q535 PolarHBondContact O-N 3.39Å; Q535-P537 WeakPolarHBondContact O-CD 3.48Å |
| 536 | V | 88.2 | Confident | 87.7 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | trans | -75.8 | 126.4 | 173 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | I531 D532 L540 V542 I550 | I531-V536 HydrophobicContact CG2-CG2 4.33Å; D532-V536 PolarHBondContact O-N 3.45Å; V536-L540 HydrophobicContact CG1-CB 4.14Å; V536-V542 HydrophobicContact CG1-CG2 4.27Å; V536-V542 HydrophobicContact CG2-CG2 4.27Å; V536-I550 HydrophobicContact CG2-CD1 3.49Å; V536-I550 VanDerWaalsContact CG2-CD1 3.49Å | ||
| 537 | P | 87.4 | Confident | 88.4 | Confident | 17 Ų | 17 | 50.7 Ų | 50.7 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | trans | -56.8 | 147.7 | 175.8 | -28.5 | 36.9 | 0 | 0 | 0 | 113.6 | F497 G499 Q535 D539 L540 | F497-P537 HydrophobicContact CB-CB 4.49Å; F497-P537 HydrophobicContact CB-CG 4.49Å; F497-P537 WeakPolarHBondContact O-CB 3.47Å; F497-P537 WeakPolarHBondContact O-CG 3.28Å; G499-P537 VanDerWaalsContact CA-CG 3.43Å; Q535-P537 WeakPolarHBondContact O-CD 3.48Å; P537-D539 PolarHBondContact O-N 3.28Å; P537-D539 VanDerWaalsContact O-N 3.16Å; P537-L540 HydrophobicContact CB-CD1 4.42Å; P537-L540 HydrophobicContact CB-CG 4.34Å; P537-L540 HydrophobicContact CG-CD1 4.08Å; P537-L540 PolarHBondContact O-N 2.91Å; P537-L540 VanDerWaalsContact O-N 3.08Å | ||
| 538 | Q | 89.9 | Confident | 88.7 | Confident | 173 Ų | 173 | 52.7 Ų | 52.7 | 81% | 0.808 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.1 | 179.1 | -73.2 | -172.2 | -3.5 | 0 | 0 | 113.6 | L540 K556 | Q538-L540 VanDerWaalsContact C-N 3.32Å; Q538-K556 WeakPolarHBondContact O-CD 3.41Å; Q538-K556 WeakPolarHBondContact O-CE 3.49Å; Q538-K556 PolarHBondContact O-NZ 3.02Å |
| 539 | D | 91.3 | Very high | 89.3 | Confident | 90 Ų | 90 | 50.4 Ų | 50.4 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.1 | 179.9 | -63.7 | -36 | 0 | 0 | 0 | 113.4 | P537 H555 K556 | P537-D539 PolarHBondContact O-N 3.28Å; P537-D539 VanDerWaalsContact O-N 3.16Å; D539-H555 WeakPolarHBondContact O-CA 3.36Å; D539-K556 WeakPolarHBondContact O-CG 2.96Å; D539-K556 PolarHBondContact O-N 3.06Å |
| 540 | L | 91.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.9 | 177.3 | -63.2 | -178.7 | 0 | 0 | 0 | 111.3 | I493 F497 V536 P537 Q538 I553 R554 H555 K556 | I493-L540 HydrophobicContact CG2-CD2 4.16Å; F497-L540 HydrophobicContact CB-CD1 4.12Å; F497-L540 HydrophobicContact CB-CD2 4.42Å; F497-L540 HydrophobicContact CB-CG 4.16Å; F497-L540 HydrophobicContact CD2-CD2 3.96Å; F497-L540 HydrophobicContact CG-CD2 4.33Å; V536-L540 HydrophobicContact CG1-CB 4.14Å; P537-L540 HydrophobicContact CB-CD1 4.42Å; P537-L540 HydrophobicContact CB-CG 4.34Å; P537-L540 HydrophobicContact CG-CD1 4.08Å; P537-L540 PolarHBondContact O-N 2.91Å; P537-L540 VanDerWaalsContact O-N 3.08Å; Q538-L540 VanDerWaalsContact C-N 3.32Å; L540-I553 HydrophobicContact CD1-CD1 3.88Å; L540-I553 HydrophobicContact CD2-CD1 4.28Å; L540-R554 WeakPolarHBondContact CA-O 3.43Å; L540-H555 HydrophobicContact CD2-CB 4.09Å; L540-K556 WeakPolarHBondContact O-CE 3.37Å |
| 541 | E | 91.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 130.8 | 174.2 | 178.8 | -179 | 169.5 | 0 | 0 | 109.6 | M543 I553 R554 K556 | E541-M543 PolarHBondContact O-N 3.35Å; E541-I553 CarbonylContact O-C 3.55Å; E541-I553 VanDerWaalsContact O-CA 3.22Å; E541-I553 WeakPolarHBondContact O-CA 3.37Å; E541-R554 HydrophobicContact CB-CG 3.94Å; E541-R554 VanDerWaalsContact CD-NE 3.31Å; E541-R554 PolarHBondContact N-O 3.03Å; E541-R554 PolarHBondContact O-N 2.9Å; E541-R554 IonicContact OE1-CZ 2.86Å; E541-R554 IonicContact OE1-NE 3.58Å; E541-R554 IonicContact OE1-NH2 2.73Å; E541-R554 PolarHBondContact OE1-NH2 2.78Å; E541-R554 IonicContact OE2-CZ 3.93Å; E541-R554 IonicContact OE2-NE 3.57Å; E541-R554 PolarHBondContact OE2-NE 2.92Å; E541-R554 IonicContact OE2-NH2 3.25Å; E541-R554 PolarHBondContact OE2-NH2 2.77Å; E541-K556 HydrophobicContact CB-CG 4.46Å |
| 542 | V | 92.5 | Very high | 89.6 | Confident | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.6 | 178 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | R517 V536 E545 I550 I553 | R517-V542 PolarHBondContact NH1-O 3.46Å; V536-V542 HydrophobicContact CG1-CG2 4.27Å; V536-V542 HydrophobicContact CG2-CG2 4.27Å; V542-E545 HydrophobicContact CG1-CG 3.81Å; V542-E545 WeakPolarHBondContact CG1-OE1 3.34Å; V542-I550 HydrophobicContact CG1-CG1 4.12Å; V542-I550 HydrophobicContact CG1-CG2 4.03Å; V542-I550 HydrophobicContact CG2-CD1 3.72Å; V542-I550 HydrophobicContact CG2-CG1 3.96Å; V542-I550 HydrophobicContact CG2-CG2 4.13Å; V542-I553 HydrophobicContact CG2-CG2 4.47Å |
| 543 | M | 90.8 | Very high | 89.6 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -41.8 | -176 | -65.9 | -67.8 | -72.4 | 0 | 0 | 112.4 | Q518 E541 A552 R554 | Q518-M543 WeakPolarHBondContact CG-O 3.29Å; Q518-M543 VanDerWaalsContact NE2-CE 3.26Å; E541-M543 PolarHBondContact O-N 3.35Å; M543-A552 HydrophobicContact CB-CB 3.72Å; M543-A552 PolarHBondContact N-O 3.48Å; M543-R554 HydrophobicContact CG-CB 4.16Å; M543-R554 HydrophobicContact CG-CG 4.02Å; M543-R554 HydrophobicContact SD-CB 4.37Å; M543-R554 VanDerWaalsContact SD-CD 3.51Å; M543-R554 HydrophobicContact SD-CG 3.74Å |
| 544 | D | 90.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.027 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 160.5 | 179.9 | -142.3 | -37.7 | 0 | 0 | 0 | 111.9 | L515 Q516 R517 Q518 M551 A552 | L515-D544 HydrophobicContact CD2-CB 4.32Å; Q516-D544 PolarHBondContact N-OD1 3.42Å; R517-D544 PolarHBondContact N-OD1 2.61Å; Q518-D544 PolarHBondContact N-OD2 2.86Å; D544-M551 PolarHBondContact O-N 2.82Å; D544-A552 HydrophobicContact CB-CB 4.14Å; D544-A552 PolarHBondContact N-O 2.93Å; D544-A552 PolarHBondContact O-N 3.32Å |
| 545 | E | 91.4 | Very high | 90 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 154.2 | -175.2 | -67.4 | 173.3 | -179.9 | 0 | 0 | 110.6 | Q516 R517 V542 C549 | Q516-E545 VanDerWaalsContact CB-O 3.29Å; Q516-E545 WeakPolarHBondContact CB-O 3.28Å; Q516-E545 WeakPolarHBondContact CG-O 3.27Å; Q516-E545 PolarHBondContact N-O 3.28Å; R517-E545 IonicContact CZ-OE1 3.56Å; R517-E545 IonicContact CZ-OE2 3Å; R517-E545 IonicContact NE-OE1 3.65Å; R517-E545 IonicContact NE-OE2 3.85Å; R517-E545 IonicContact NH1-OE1 2.84Å; R517-E545 IonicContact NH2-OE1 3.37Å; R517-E545 PolarHBondContact NH2-OE1 3.22Å; R517-E545 IonicContact NH2-OE2 3.78Å; R517-E545 PolarHBondContact NH2-OE2 3.33Å; R517-E545 VanDerWaalsContact NH2-OE2 3.15Å; V542-E545 HydrophobicContact CG1-CG 3.81Å; V542-E545 WeakPolarHBondContact CG1-OE1 3.34Å; E545-C549 CarbonylContact C-O 3.56Å; E545-C549 WeakPolarHBondContact CA-O 3.42Å; E545-C549 WeakPolarHBondContact CB-O 3.31Å |
| 546 | A | 88.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 122.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | G548 C549 M551 | A546-G548 PolarHBondContact O-N 3.08Å; A546-C549 PolarHBondContact N-O 2.91Å; A546-C549 WeakPolarHBondContact O-CB 3.43Å; A546-C549 PolarHBondContact O-N 3.43Å; A546-M551 HydrophobicContact CB-CG 3.58Å; A546-M551 HydrophobicContact CB-SD 4.13Å; A546-M551 VanDerWaalsContact N-CG 3.27Å |
| 547 | E | 86.7 | Confident | 90 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 50% | 0.495 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.3 | 178.3 | -60 | 157.2 | -152.8 | 0 | 0 | 113 | S513 R525 C549 | S513-E547 PolarHBondContact OG-OE1 2.93Å; R525-E547 IonicContact CZ-OE2 3.41Å; R525-E547 VanDerWaalsContact NH1-CD 3.26Å; R525-E547 IonicContact NH1-OE1 3.99Å; R525-E547 IonicContact NH1-OE2 2.96Å; R525-E547 PolarHBondContact NH1-OE2 3.35Å; E547-C549 VanDerWaalsContact C-N 3.32Å; E547-C549 PolarHBondContact O-N 2.88Å |
| 548 | G | 84.6 | Confident | 89.8 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 4.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A546 | A546-G548 PolarHBondContact O-N 3.08Š|
| 549 | C | 89.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 141.4 | 171.7 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | R525 M530 E545 A546 E547 M551 | R525-C549 PolarHBondContact NH2-SG 2.96Å; M530-C549 HydrophobicContact SD-CB 4.2Å; E545-C549 CarbonylContact C-O 3.56Å; E545-C549 WeakPolarHBondContact CA-O 3.42Å; E545-C549 WeakPolarHBondContact CB-O 3.31Å; A546-C549 PolarHBondContact N-O 2.91Å; A546-C549 WeakPolarHBondContact O-CB 3.43Å; A546-C549 PolarHBondContact O-N 3.43Å; E547-C549 VanDerWaalsContact C-N 3.32Å; E547-C549 PolarHBondContact O-N 2.88Å; C549-M551 HydrophobicContact CB-SD 4.11Å; C549-M551 WeakPolarHBondContact O-CG 3.26Å; C549-M551 PolarHBondContact O-N 3.37Å |
| 550 | I | 91.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 117 | 171.6 | -65.6 | 170.8 | 0 | 0 | 0 | 108.7 | I531 P533 V536 V542 I553 Q564 | I531-I550 HydrophobicContact CB-CD1 4.26Å; I531-I550 HydrophobicContact CG2-CD1 4.26Å; P533-I550 HydrophobicContact CB-CD1 4.34Å; V536-I550 HydrophobicContact CG2-CD1 3.49Å; V536-I550 VanDerWaalsContact CG2-CD1 3.49Å; V542-I550 HydrophobicContact CG1-CG1 4.12Å; V542-I550 HydrophobicContact CG1-CG2 4.03Å; V542-I550 HydrophobicContact CG2-CD1 3.72Å; V542-I550 HydrophobicContact CG2-CG1 3.96Å; V542-I550 HydrophobicContact CG2-CG2 4.13Å; I550-I553 HydrophobicContact CG2-CG2 3.49Å; I550-I553 VanDerWaalsContact CG2-CG2 3.49Å; I550-Q564 PolarHBondContact O-OE1 3.14Å |
| 551 | M | 89.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | -24 | -174.8 | -64.7 | -52.3 | -59.3 | 0 | 0 | 112.7 | L515 R525 H527 D544 A546 C549 Q564 F565 | L515-M551 HydrophobicContact CD2-CB 3.72Å; L515-M551 HydrophobicContact CD2-CG 4.01Å; R525-M551 HydrophobicContact CG-CE 3.66Å; H527-M551 PolarHBondContact NE2-SD 3.17Å; H527-M551 VanDerWaalsContact NE2-SD 3.44Å; D544-M551 PolarHBondContact O-N 2.82Å; A546-M551 HydrophobicContact CB-CG 3.58Å; A546-M551 HydrophobicContact CB-SD 4.13Å; A546-M551 VanDerWaalsContact N-CG 3.27Å; C549-M551 HydrophobicContact CB-SD 4.11Å; C549-M551 WeakPolarHBondContact O-CG 3.26Å; C549-M551 PolarHBondContact O-N 3.37Å; M551-Q564 HydrophobicContact CE-CB 4.38Å; M551-Q564 HydrophobicContact CE-CG 4.3Å; M551-Q564 WeakPolarHBondContact CE-O 3.35Å; M551-Q564 PolarHBondContact O-N 3.27Å; M551-Q564 HydrophobicContact SD-CG 4.48Å; M551-F565 HydrophobicContact CB-CD1 3.92Å; M551-F565 HydrophobicContact CB-CE1 4.23Å; M551-F565 HydrophobicContact CE-CB 3.72Å; M551-F565 HydrophobicContact CE-CD1 4.03Å; M551-F565 HydrophobicContact CE-CG 4.37Å; M551-F565 WeakPolarHBondContact O-CD1 3.3Å; M551-F565 WeakPolarHBondContact O-CE1 3.31Å |
| 552 | A | 90.6 | Very high | 88.3 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 140.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | M543 D544 G562 L563 F565 | M543-A552 HydrophobicContact CB-CB 3.72Å; M543-A552 PolarHBondContact N-O 3.48Å; D544-A552 HydrophobicContact CB-CB 4.14Å; D544-A552 PolarHBondContact N-O 2.93Å; D544-A552 PolarHBondContact O-N 3.32Å; A552-G562 CarbonylContact C-O 3.59Å; A552-G562 VanDerWaalsContact CA-O 3.27Å; A552-G562 WeakPolarHBondContact CA-O 3.27Å; A552-L563 HydrophobicContact CB-CD2 3.68Å; A552-F565 HydrophobicContact CB-CE1 4.17Å |
| 553 | I | 91 | Very high | 88 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.3 | 172.4 | 57.6 | 169 | 0 | 0 | 0 | 111 | I493 I531 L540 E541 V542 I550 F561 G562 | I493-I553 HydrophobicContact CB-CD1 4.07Å; I493-I553 HydrophobicContact CG2-CD1 3.49Å; I493-I553 VanDerWaalsContact CG2-CD1 3.49Å; I531-I553 HydrophobicContact CD1-CD1 3.64Å; I531-I553 HydrophobicContact CD1-CG2 4.18Å; L540-I553 HydrophobicContact CD1-CD1 3.88Å; L540-I553 HydrophobicContact CD2-CD1 4.28Å; E541-I553 CarbonylContact O-C 3.55Å; E541-I553 VanDerWaalsContact O-CA 3.22Å; E541-I553 WeakPolarHBondContact O-CA 3.37Å; V542-I553 HydrophobicContact CG2-CG2 4.47Å; I550-I553 HydrophobicContact CG2-CG2 3.49Å; I550-I553 VanDerWaalsContact CG2-CG2 3.49Å; I553-F561 WeakPolarHBondContact O-CA 3.24Å; I553-G562 PolarHBondContact N-O 3.39Å; I553-G562 PolarHBondContact O-N 2.96Å |
| 554 | R | 92.1 | Very high | 87.6 | Confident | 94 Ų | 94 | 56.1 Ų | 56.1 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148.5 | 163.8 | 71 | 174.9 | -176.3 | -165.9 | -1.3 | 110.9 | L540 E541 M543 V560 F561 | L540-R554 WeakPolarHBondContact CA-O 3.43Å; E541-R554 HydrophobicContact CB-CG 3.94Å; E541-R554 VanDerWaalsContact CD-NE 3.31Å; E541-R554 PolarHBondContact N-O 3.03Å; E541-R554 PolarHBondContact O-N 2.9Å; E541-R554 IonicContact OE1-CZ 2.86Å; E541-R554 IonicContact OE1-NE 3.58Å; E541-R554 IonicContact OE1-NH2 2.73Å; E541-R554 PolarHBondContact OE1-NH2 2.78Å; E541-R554 IonicContact OE2-CZ 3.93Å; E541-R554 IonicContact OE2-NE 3.57Å; E541-R554 PolarHBondContact OE2-NE 2.92Å; E541-R554 IonicContact OE2-NH2 3.25Å; E541-R554 PolarHBondContact OE2-NH2 2.77Å; M543-R554 HydrophobicContact CG-CB 4.16Å; M543-R554 HydrophobicContact CG-CG 4.02Å; M543-R554 HydrophobicContact SD-CB 4.37Å; M543-R554 VanDerWaalsContact SD-CD 3.51Å; M543-R554 HydrophobicContact SD-CG 3.74Å; R554-V560 CarbonylContact C-O 3.51Å; R554-V560 WeakPolarHBondContact CA-O 3.25Å; R554-F561 HydrophobicContact CB-CD1 3.7Å; R554-F561 HydrophobicContact CB-CE1 3.78Å |
| 555 | H | 92.4 | Very high | 87.1 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 138.6 | 168.2 | -170.1 | -88.4 | 0 | 0 | 0 | 110.3 | F497 D539 L540 R557 Y558 V560 | F497-H555 AromaticContact CD1-CD2 3.54Å; F497-H555 AromaticContact CD1-NE2 3.46Å; F497-H555 WeakPolarHBondContact CD1-NE2 3.13Å; F497-H555 AromaticContact CD2-CD2 3.89Å; F497-H555 AromaticContact CE1-CD2 3.32Å; F497-H555 WeakPolarHBondContact CE1-CD2 3.17Å; F497-H555 AromaticContact CE1-NE2 3.18Å; F497-H555 WeakPolarHBondContact CE1-NE2 3.19Å; F497-H555 AromaticContact CE2-CD2 3.71Å; F497-H555 AromaticContact CG-CD2 3.84Å; F497-H555 AromaticContact CZ-CD2 3.42Å; F497-H555 VanDerWaalsContact CZ-CD2 3.42Å; F497-H555 WeakPolarHBondContact CZ-CD2 3.28Å; F497-H555 AromaticContact CZ-NE2 3.73Å; D539-H555 WeakPolarHBondContact O-CA 3.36Å; L540-H555 HydrophobicContact CD2-CB 4.09Å; H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact ND1-N 3.26Å; H555-R557 VanDerWaalsContact ND1-N 3.11Å; H555-R557 PolarHBondContact O-N 3.11Å; H555-Y558 AromaticContact CE1-CD2 3.07Å; H555-Y558 WeakPolarHBondContact CE1-CD2 3.46Å; H555-Y558 AromaticContact CE1-CE2 3.59Å; H555-Y558 AromaticContact CE1-CG 3.87Å; H555-Y558 AromaticContact ND1-CD2 3.34Å; H555-Y558 VanDerWaalsContact ND1-CD2 3.34Å; H555-Y558 WeakPolarHBondContact ND1-CD2 3.41Å; H555-Y558 AromaticContact ND1-CG 3.71Å; H555-Y558 PolarHBondContact ND1-N 2.73Å; H555-Y558 AromaticContact NE2-CD2 3.66Å; H555-V560 HydrophobicContact CB-CB 3.9Å; H555-V560 PolarHBondContact N-O 3.22Å |
| 556 | K | 89.5 | Confident | 86 | Confident | 128 Ų | 128 | 58.3 Ų | 58.3 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -71.4 | -22.1 | -173.7 | -69.3 | 177.7 | -176 | 174.9 | 0 | 114.1 | Q538 D539 L540 E541 | Q538-K556 WeakPolarHBondContact O-CD 3.41Å; Q538-K556 WeakPolarHBondContact O-CE 3.49Å; Q538-K556 PolarHBondContact O-NZ 3.02Å; D539-K556 WeakPolarHBondContact O-CG 2.96Å; D539-K556 PolarHBondContact O-N 3.06Å; L540-K556 WeakPolarHBondContact O-CE 3.37Å; E541-K556 HydrophobicContact CB-CG 4.46Å |
| 557 | R | 86 | Confident | 84.6 | Confident | 203 Ų | 203 | 59.9 Ų | 59.9 | 77% | 0.766 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -120.2 | -23.2 | -174.7 | -176.7 | 179.1 | 175.5 | -175.6 | -1.6 | 115.3 | H555 | H555-R557 VanDerWaalsContact C-N 3.29Å; H555-R557 PolarHBondContact ND1-N 3.26Å; H555-R557 VanDerWaalsContact ND1-N 3.11Å; H555-R557 PolarHBondContact O-N 3.11Å |
| 558 | Y | 83.9 | Confident | 83 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 47% | 0.467 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -119.2 | 150.2 | -172.1 | -62.1 | -55.5 | 0 | 0 | 0 | 107.6 | F497 H555 V560 | F497-Y558 HydrophobicContact CE1-CD2 4.28Å; F497-Y558 HydrophobicContact CZ-CD2 4.31Å; H555-Y558 AromaticContact CE1-CD2 3.07Å; H555-Y558 WeakPolarHBondContact CE1-CD2 3.46Å; H555-Y558 AromaticContact CE1-CE2 3.59Å; H555-Y558 AromaticContact CE1-CG 3.87Å; H555-Y558 AromaticContact ND1-CD2 3.34Å; H555-Y558 VanDerWaalsContact ND1-CD2 3.34Å; H555-Y558 WeakPolarHBondContact ND1-CD2 3.41Å; H555-Y558 AromaticContact ND1-CG 3.71Å; H555-Y558 PolarHBondContact ND1-N 2.73Å; H555-Y558 AromaticContact NE2-CD2 3.66Å; Y558-V560 PolarHBondContact O-N 3.27Å |
| 559 | P | 81.5 | Confident | 81.6 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -75.5 | 55.8 | 179 | 33.9 | -36.9 | 0 | 0 | 0 | 111 | ||
| 560 | V | 82 | Confident | 79.9 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | trans | -111.7 | 121.2 | -178.1 | 179.8 | 0 | 0 | 0 | 0 | 108 | I493 F497 R554 H555 Y558 | I493-V560 HydrophobicContact CB-CG1 4.43Å; I493-V560 HydrophobicContact CD1-CG1 3.76Å; I493-V560 HydrophobicContact CG1-CG1 3.77Å; I493-V560 HydrophobicContact CG2-CG1 3.76Å; F497-V560 HydrophobicContact CE2-CG1 4.21Å; R554-V560 CarbonylContact C-O 3.51Å; R554-V560 WeakPolarHBondContact CA-O 3.25Å; H555-V560 HydrophobicContact CB-CB 3.9Å; H555-V560 PolarHBondContact N-O 3.22Å; Y558-V560 PolarHBondContact O-N 3.27Å | ||
| 561 | F | 85.4 | Confident | 78.2 | Confident | 133 Ų | 133 | 60 Ų | 60 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.8 | 179.3 | -60.1 | -91.8 | 0 | 0 | 0 | 108.8 | I493 I553 R554 | I493-F561 WeakPolarHBondContact CD1-O 3.02Å; I553-F561 WeakPolarHBondContact O-CA 3.24Å; R554-F561 HydrophobicContact CB-CD1 3.7Å; R554-F561 HydrophobicContact CB-CE1 3.78Å |
| 562 | G | 85.1 | Confident | 76.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | H490 A552 I553 | H490-G562 PolarHBondContact ND1-O 2.94Å; A552-G562 CarbonylContact C-O 3.59Å; A552-G562 VanDerWaalsContact CA-O 3.27Å; A552-G562 WeakPolarHBondContact CA-O 3.27Å; I553-G562 PolarHBondContact N-O 3.39Å; I553-G562 PolarHBondContact O-N 2.96Å |
| 563 | L | 86.1 | Confident | 75.2 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139 | 174 | -59.6 | 176.6 | 0 | 0 | 0 | 109.5 | H490 A552 F565 | H490-L563 WeakPolarHBondContact CB-O 3.43Å; A552-L563 HydrophobicContact CB-CD2 3.68Å; L563-F565 HydrophobicContact CD2-CE1 3.97Å; L563-F565 HydrophobicContact CD2-CZ 3.85Å |
| 564 | Q | 81.1 | Confident | 73.5 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | trans | -118.7 | 26.9 | -178 | 176.8 | 155 | 101.8 | 0 | 0 | 111.4 | H490 Q491 H527 L529 I550 M551 | H490-Q564 HydrophobicContact CB-CB 4.18Å; Q491-Q564 VanDerWaalsContact CD-NE2 3.27Å; H527-Q564 HydrophobicContact CB-CG 3.85Å; H527-Q564 WeakPolarHBondContact CD2-CG 3.44Å; H527-Q564 PolarHBondContact CD2-O 2.95Å; H527-Q564 PolarHBondContact CE1-OE1 3.41Å; L529-Q564 PolarHBondContact O-NE2 3.21Å; I550-Q564 PolarHBondContact O-OE1 3.14Å; M551-Q564 HydrophobicContact CE-CB 4.38Å; M551-Q564 HydrophobicContact CE-CG 4.3Å; M551-Q564 WeakPolarHBondContact CE-O 3.35Å; M551-Q564 PolarHBondContact O-N 3.27Å; M551-Q564 HydrophobicContact SD-CG 4.48Å | ||
| 565 | F | 80.6 | Confident | 71.6 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -145.6 | 161.7 | 176.1 | 57.4 | -92.1 | 0 | 0 | 0 | 110.7 | L515 V523 M524 M551 A552 L563 | L515-F565 HydrophobicContact CD1-CE1 4.02Å; L515-F565 HydrophobicContact CD1-CE2 4.12Å; L515-F565 HydrophobicContact CD1-CZ 3.81Å; L515-F565 HydrophobicContact CD2-CD1 4.06Å; L515-F565 HydrophobicContact CD2-CE1 4.07Å; V523-F565 HydrophobicContact CB-CB 3.92Å; V523-F565 HydrophobicContact CB-CD2 3.82Å; V523-F565 HydrophobicContact CB-CG 4.09Å; V523-F565 HydrophobicContact CG1-CD2 3.65Å; V523-F565 HydrophobicContact CG1-CE2 4.08Å; V523-F565 HydrophobicContact CG1-CG 4.29Å; V523-F565 HydrophobicContact CG2-CB 3.65Å; V523-F565 HydrophobicContact CG2-CD2 4.13Å; V523-F565 HydrophobicContact CG2-CG 3.91Å; M524-F565 CarbonylContact O-C 3.6Å; M524-F565 WeakPolarHBondContact O-CA 3.45Å; M551-F565 HydrophobicContact CB-CD1 3.92Å; M551-F565 HydrophobicContact CB-CE1 4.23Å; M551-F565 HydrophobicContact CE-CB 3.72Å; M551-F565 HydrophobicContact CE-CD1 4.03Å; M551-F565 HydrophobicContact CE-CG 4.37Å; M551-F565 WeakPolarHBondContact O-CD1 3.3Å; M551-F565 WeakPolarHBondContact O-CE1 3.31Å; A552-F565 HydrophobicContact CB-CE1 4.17Å; L563-F565 HydrophobicContact CD2-CE1 3.97Å; L563-F565 HydrophobicContact CD2-CZ 3.85Å |
| 566 | H | 69.4 | Low | 69.5 | Low | 63 Ų | 63 | 67.8 Ų | 67.8 | 29% | 0.292 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -118.5 | 97.5 | -177.4 | -68 | -90.6 | 0 | 0 | 0 | 109.2 | M524 Y526 E568 S569 T572 | M524-H566 PolarHBondContact N-O 3.13Å; M524-H566 PolarHBondContact O-N 3.32Å; Y526-H566 HydrophobicContact CD2-CB 4.28Å; Y526-H566 AromaticContact CD2-CD2 3.41Å; Y526-H566 VanDerWaalsContact CD2-CD2 3.41Å; Y526-H566 WeakPolarHBondContact CD2-CD2 3.23Å; Y526-H566 AromaticContact CD2-CG 3.99Å; Y526-H566 HydrophobicContact CE2-CB 4.23Å; H566-E568 VanDerWaalsContact C-OE2 3.24Å; H566-E568 VanDerWaalsContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CB-OE2 3.49Å; H566-E568 IonicContact CE1-OE1 3.78Å; H566-E568 IonicContact CG-OE1 3.76Å; H566-E568 IonicContact ND1-OE1 3.6Å; H566-E568 PolarHBondContact ND1-OE1 3.24Å; H566-E568 IonicContact ND1-OE2 3.58Å; H566-E568 PolarHBondContact O-N 3.43Å; H566-S569 WeakPolarHBondContact CB-OG 3.46Å; H566-T572 WeakPolarHBondContact O-CG2 3.41Å |
| 567 | P | 59.1 | Low | 67.9 | Low | 34 Ų | 34 | 62.6 Ų | 62.6 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.8 | 174.5 | 30 | -35.9 | 0 | 0 | 0 | 113 | T572 D574 | P567-T572 WeakPolarHBondContact O-CB 3.24Å; P567-T572 PolarHBondContact O-OG1 3.5Å; P567-D574 WeakPolarHBondContact O-CB 3.26Å |
| 568 | E | 52.1 | Low | 66.2 | Low | 69 Ų | 69 | 62.7 Ų | 62.7 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2 | -174.8 | 81.4 | -75.5 | -180 | 0 | 0 | 115.4 | H566 D574 G575 R579 | H566-E568 VanDerWaalsContact C-OE2 3.24Å; H566-E568 VanDerWaalsContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CA-OE2 3.22Å; H566-E568 WeakPolarHBondContact CB-OE2 3.49Å; H566-E568 IonicContact CE1-OE1 3.78Å; H566-E568 IonicContact CG-OE1 3.76Å; H566-E568 IonicContact ND1-OE1 3.6Å; H566-E568 PolarHBondContact ND1-OE1 3.24Å; H566-E568 IonicContact ND1-OE2 3.58Å; H566-E568 PolarHBondContact O-N 3.43Å; E568-D574 CarbonylContact C-O 3.5Å; E568-D574 WeakPolarHBondContact CA-O 3.2Å; E568-G575 WeakPolarHBondContact O-CA 3.39Å; E568-R579 VanDerWaalsContact CG-NH2 3.3Å; E568-R579 PolarHBondContact O-NH2 2.83Å |
| 569 | S | 56 | Low | 64.8 | Low | 10 Ų | 10 | 63 Ų | 63 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74 | 157.5 | -175.2 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | M524 Y526 H566 G571 T572 G575 | M524-S569 VanDerWaalsContact CB-CB 3.49Å; Y526-S569 WeakPolarHBondContact CE2-OG 3.31Å; H566-S569 WeakPolarHBondContact CB-OG 3.46Å; S569-G571 PolarHBondContact O-N 2.83Å; S569-T572 PolarHBondContact N-OG1 3.06Å; S569-T572 PolarHBondContact O-N 3.15Å; S569-T572 PolarHBondContact O-OG1 2.92Å; S569-G575 VanDerWaalsContact O-CA 3.26Å; S569-G575 WeakPolarHBondContact O-CA 3.38Å |
| 570 | I | 53.4 | Low | 64 | Low | 60 Ų | 60 | 59.5 Ų | 59.5 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25 | -178.7 | -165 | 175.6 | 0 | 0 | 0 | 114.5 | I577 L583 V591 L608 | I570-I577 HydrophobicContact CD1-CB 4.47Å; I570-I577 HydrophobicContact CD1-CD1 3.36Å; I570-I577 HydrophobicContact CD1-CG1 3.74Å; I570-L583 HydrophobicContact CD1-CD1 4.17Å; I570-L583 HydrophobicContact CD1-CD2 4.22Å; I570-V591 HydrophobicContact CD1-CG2 4.44Å; I570-L608 HydrophobicContact CD1-CD1 4.32Å |
| 571 | G | 56 | Low | 63.5 | Low | 22 Ų | 22 | 61.8 Ų | 61.8 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 7.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q512 S569 | Q512-G571 PolarHBondContact NE2-O 2.86Å; S569-G571 PolarHBondContact O-N 2.83Å |
| 572 | T | 61.2 | Low | 63.5 | Low | 17 Ų | 17 | 60.2 Ų | 60.2 | 10% | 0.104 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -114.4 | 174.3 | 172.5 | 65 | 0 | 0 | 0 | 0 | 109.4 | M524 H566 P567 S569 D574 | M524-T572 HydrophobicContact CB-CG2 4.23Å; M524-T572 HydrophobicContact CG-CG2 3.68Å; H566-T572 WeakPolarHBondContact O-CG2 3.41Å; P567-T572 WeakPolarHBondContact O-CB 3.24Å; P567-T572 PolarHBondContact O-OG1 3.5Å; S569-T572 PolarHBondContact N-OG1 3.06Å; S569-T572 PolarHBondContact O-N 3.15Å; S569-T572 PolarHBondContact O-OG1 2.92Å; T572-D574 PolarHBondContact O-N 2.87Å |
| 573 | E | 55.5 | Low | 63.6 | Low | 161 Ų | 161 | 60.3 Ų | 60.3 | 75% | 0.752 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -13.8 | 179.6 | -66.3 | 167.2 | 165 | 0 | 0 | 113 | R521 | R521-E573 IonicContact NE-OE2 2.74Š|
| 574 | D | 55.4 | Low | 63.8 | Low | 75 Ų | 75 | 58.8 Ų | 58.8 | 40% | 0.401 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 34.4 | -169.4 | -55.8 | -36.8 | 0 | 0 | 0 | 115.1 | R521 P567 E568 T572 R579 | R521-D574 IonicContact CZ-OD2 2.94Å; R521-D574 IonicContact NH1-OD2 3.6Å; R521-D574 IonicContact NH2-OD1 3.24Å; R521-D574 IonicContact NH2-OD2 3.23Å; R521-D574 PolarHBondContact NH2-OD2 2.88Å; P567-D574 WeakPolarHBondContact O-CB 3.26Å; E568-D574 CarbonylContact C-O 3.5Å; E568-D574 WeakPolarHBondContact CA-O 3.2Å; T572-D574 PolarHBondContact O-N 2.87Å; D574-R579 PolarHBondContact O-NH1 3.13Å |
| 575 | G | 51.2 | Low | 64.3 | Low | 9 Ų | 9 | 60.8 Ų | 60.8 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | trans | -68.4 | 155.7 | -162.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | E568 S569 Y578 | E568-G575 WeakPolarHBondContact O-CA 3.39Å; S569-G575 VanDerWaalsContact O-CA 3.26Å; S569-G575 WeakPolarHBondContact O-CA 3.38Å; G575-Y578 PolarHBondContact O-N 3.08Å | ||
| 576 | A | 50.1 | Low | 64.8 | Low | 18 Ų | 18 | 62.3 Ų | 62.3 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -67.7 | -31.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | Y578 R579 G580 N581 | A576-Y578 PolarHBondContact O-N 3.32Å; A576-R579 CarbonylContact O-C 3.56Å; A576-R579 WeakPolarHBondContact O-CA 3.32Å; A576-R579 WeakPolarHBondContact O-CB 3.31Å; A576-R579 PolarHBondContact O-N 3.08Å; A576-G580 PolarHBondContact O-N 2.98Å; A576-N581 HydrophobicContact CB-CB 4.36Å; A576-N581 PolarHBondContact O-N 2.74Å |
| 577 | I | 55.4 | Low | 65.8 | Low | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -62.4 | -34 | 177.6 | -69.5 | -176.7 | 0 | 0 | 0 | 110.7 | I570 R579 G580 L583 L608 L612 | I570-I577 HydrophobicContact CD1-CB 4.47Å; I570-I577 HydrophobicContact CD1-CD1 3.36Å; I570-I577 HydrophobicContact CD1-CG1 3.74Å; I577-R579 PolarHBondContact O-N 3Å; I577-G580 PolarHBondContact O-N 3.21Å; I577-G580 VanDerWaalsContact O-N 3.14Å; I577-L583 HydrophobicContact CD1-CD1 3.95Å; I577-L583 HydrophobicContact CD1-CG 4.33Å; I577-L583 HydrophobicContact CG1-CD1 4.46Å; I577-L583 HydrophobicContact CG1-CD2 4.28Å; I577-L583 HydrophobicContact CG1-CG 4.33Å; I577-L608 HydrophobicContact CD1-CD1 3.16Å; I577-L612 HydrophobicContact CD1-CD2 4.1Å; I577-L612 HydrophobicContact CD1-CG 4.25Å |
| 578 | Y | 50.8 | Low | 67.5 | Low | 205 Ų | 205 | 59.7 Ų | 59.7 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.6 | 173.3 | -80.3 | -81.8 | 0 | 0 | 0 | 113.3 | G575 A576 | G575-Y578 PolarHBondContact O-N 3.08Å; A576-Y578 PolarHBondContact O-N 3.32Å |
| 579 | R | 53.5 | Low | 69.5 | Low | 126 Ų | 126 | 59 Ų | 59 | 48% | 0.475 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -93 | -2.6 | 174.6 | -67.8 | -165 | -69.9 | -87.8 | -6.6 | 114.1 | E568 D574 A576 I577 | E568-R579 VanDerWaalsContact CG-NH2 3.3Å; E568-R579 PolarHBondContact O-NH2 2.83Å; D574-R579 PolarHBondContact O-NH1 3.13Å; A576-R579 CarbonylContact O-C 3.56Å; A576-R579 WeakPolarHBondContact O-CA 3.32Å; A576-R579 WeakPolarHBondContact O-CB 3.31Å; A576-R579 PolarHBondContact O-N 3.08Å; I577-R579 PolarHBondContact O-N 3Å |
| 580 | G | 64.1 | Low | 71.2 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 17.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A576 I577 K615 | A576-G580 PolarHBondContact O-N 2.98Å; I577-G580 PolarHBondContact O-N 3.21Å; I577-G580 VanDerWaalsContact O-N 3.14Å; G580-K615 VanDerWaalsContact C-CD 3.45Å; G580-K615 WeakPolarHBondContact O-CD 3.43Å |
| 581 | N | 71.8 | Confident | 73 | Confident | 90 Ų | 90 | 59.4 Ų | 59.4 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 146.3 | 176.7 | -68.4 | -17.2 | 0 | 0 | 0 | 112.4 | A576 K615 | A576-N581 HydrophobicContact CB-CB 4.36Å; A576-N581 PolarHBondContact O-N 2.74Å; N581-K615 VanDerWaalsContact C-CD 3.47Å; N581-K615 WeakPolarHBondContact O-CD 3.33Å; N581-K615 VanDerWaalsContact O-CE 3.29Å; N581-K615 WeakPolarHBondContact O-CE 3.44Å |
| 582 | D | 86.2 | Confident | 74.7 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.2 | 174 | -61.9 | -24.7 | 0 | 0 | 0 | 112 | K615 A618 E621 | D582-K615 IonicContact OD1-NZ 2.91Å; D582-K615 PolarHBondContact OD1-NZ 3.45Å; D582-A618 HydrophobicContact CB-CB 3.95Å; D582-A618 VanDerWaalsContact CG-CB 3.5Å; D582-A618 WeakPolarHBondContact OD2-CB 3.49Å; D582-E621 WeakPolarHBondContact CA-OE1 3.06Å |
| 583 | L | 87 | Confident | 76.2 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -80 | 140.7 | 169.3 | -55.6 | 177.3 | 0 | 0 | 0 | 110.9 | I570 I577 E587 M588 V591 E621 | I570-L583 HydrophobicContact CD1-CD1 4.17Å; I570-L583 HydrophobicContact CD1-CD2 4.22Å; I577-L583 HydrophobicContact CD1-CD1 3.95Å; I577-L583 HydrophobicContact CD1-CG 4.33Å; I577-L583 HydrophobicContact CG1-CD1 4.46Å; I577-L583 HydrophobicContact CG1-CD2 4.28Å; I577-L583 HydrophobicContact CG1-CG 4.33Å; L583-E587 HydrophobicContact CB-CB 4.14Å; L583-E587 HydrophobicContact CD2-CB 4.48Å; L583-M588 HydrophobicContact CB-CB 4.31Å; L583-M588 HydrophobicContact CD1-SD 3.73Å; L583-V591 HydrophobicContact CD1-CG2 4.14Å; L583-E621 HydrophobicContact CB-CG 4.02Å; L583-E621 PolarHBondContact N-OE1 3.02Å; L583-E621 VanDerWaalsContact O-CG 3.32Å; L583-E621 WeakPolarHBondContact O-CG 3.43Å |
| 584 | T | 91 | Very high | 77.9 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 163 | 170.3 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | S586 E587 M588 | T584-S586 PolarHBondContact O-N 3.46Å; T584-E587 WeakPolarHBondContact CB-OE2 3.47Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.32Å; T584-E587 PolarHBondContact N-OE2 2.78Å; T584-E587 PolarHBondContact O-N 3.11Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 WeakPolarHBondContact OG1-CB 3.36Å; T584-E587 VanDerWaalsContact OG1-CD 3.31Å; T584-E587 VanDerWaalsContact OG1-CG 3.26Å; T584-E587 WeakPolarHBondContact OG1-CG 3.18Å; T584-E587 PolarHBondContact OG1-N 2.8Å; T584-E587 PolarHBondContact OG1-OE2 3.49Å; T584-M588 PolarHBondContact O-N 3.13Å |
| 585 | I | 91.2 | Very high | 79.7 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.5 | -45.8 | 174.3 | -65.4 | 173.2 | 0 | 0 | 0 | 110.5 | M588 Q589 A620 T623 | I585-M588 PolarHBondContact O-N 2.96Å; I585-Q589 HydrophobicContact CG2-CG 4.39Å; I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.45Å; I585-Q589 PolarHBondContact O-N 3.49Å; I585-A620 WeakPolarHBondContact CA-O 3.48Å; I585-A620 HydrophobicContact CG1-CB 3.78Å; I585-A620 WeakPolarHBondContact CG1-O 3.26Å; I585-T623 HydrophobicContact CD1-CG2 3.88Å; I585-T623 HydrophobicContact CG1-CG2 4.21Å; I585-T623 HydrophobicContact CG2-CG2 4.27Å |
| 586 | S | 91.3 | Very high | 81.6 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 43% | 0.427 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | -179 | -179 | 0 | 0 | 0 | 0 | 112.4 | T584 Q589 Q590 | T584-S586 PolarHBondContact O-N 3.46Å; S586-Q589 WeakPolarHBondContact O-CB 3.16Å; S586-Q589 PolarHBondContact O-N 2.82Å; S586-Q590 WeakPolarHBondContact O-CG 3.38Å; S586-Q590 PolarHBondContact O-N 3.3Å |
| 587 | E | 90.2 | Very high | 83.4 | Confident | 40 Ų | 40 | 56 Ų | 56 | 19% | 0.187 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 177.8 | -72.1 | 166.4 | 138.6 | 0 | 0 | 111.1 | Y526 L583 T584 Q589 Q590 V591 | Y526-E587 PolarHBondContact OH-OE1 2.73Å; L583-E587 HydrophobicContact CB-CB 4.14Å; L583-E587 HydrophobicContact CD2-CB 4.48Å; T584-E587 WeakPolarHBondContact CB-OE2 3.47Å; T584-E587 WeakPolarHBondContact CG2-OE2 3.32Å; T584-E587 PolarHBondContact N-OE2 2.78Å; T584-E587 PolarHBondContact O-N 3.11Å; T584-E587 VanDerWaalsContact O-N 3.16Å; T584-E587 WeakPolarHBondContact OG1-CB 3.36Å; T584-E587 VanDerWaalsContact OG1-CD 3.31Å; T584-E587 VanDerWaalsContact OG1-CG 3.26Å; T584-E587 WeakPolarHBondContact OG1-CG 3.18Å; T584-E587 PolarHBondContact OG1-N 2.8Å; T584-E587 PolarHBondContact OG1-OE2 3.49Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 2.89Å; E587-Q590 WeakPolarHBondContact O-CB 3.29Å; E587-Q590 PolarHBondContact O-N 2.83Å; E587-Q590 VanDerWaalsContact O-N 3.09Å; E587-V591 WeakPolarHBondContact O-CG2 3.43Å; E587-V591 PolarHBondContact O-N 3.07Å |
| 588 | M | 94.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -28.8 | 176.8 | -165.1 | 57.8 | -168.8 | 0 | 0 | 112.4 | L583 T584 I585 V591 G592 L612 E621 L625 I742 | L583-M588 HydrophobicContact CB-CB 4.31Å; L583-M588 HydrophobicContact CD1-SD 3.73Å; T584-M588 PolarHBondContact O-N 3.13Å; I585-M588 PolarHBondContact O-N 2.96Å; M588-V591 HydrophobicContact CE-CG1 4.32Å; M588-V591 HydrophobicContact SD-CB 4.07Å; M588-V591 HydrophobicContact SD-CG1 4.02Å; M588-G592 PolarHBondContact O-N 3.4Å; M588-L612 HydrophobicContact CE-CD1 3.94Å; M588-L612 HydrophobicContact SD-CD1 4.44Å; M588-E621 HydrophobicContact CB-CB 4.45Å; M588-E621 HydrophobicContact CG-CB 4.09Å; M588-E621 WeakPolarHBondContact CG-O 3.47Å; M588-L625 HydrophobicContact CE-CB 4.05Å; M588-L625 HydrophobicContact CE-CD1 4.2Å; M588-L625 HydrophobicContact CE-CD2 3.92Å; M588-L625 HydrophobicContact CE-CG 4.28Å; M588-L625 HydrophobicContact CG-CB 4.23Å; M588-I742 HydrophobicContact CE-CD1 4.24Å |
| 589 | Q | 94.7 | Very high | 86.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 168.3 | -77 | 174.1 | -9 | 0 | 0 | 112.1 | I585 S586 E587 G592 K593 G624 V628 | I585-Q589 HydrophobicContact CG2-CG 4.39Å; I585-Q589 WeakPolarHBondContact O-CB 3.45Å; I585-Q589 WeakPolarHBondContact O-CG 3.45Å; I585-Q589 PolarHBondContact O-N 3.49Å; S586-Q589 WeakPolarHBondContact O-CB 3.16Å; S586-Q589 PolarHBondContact O-N 2.82Å; E587-Q589 VanDerWaalsContact C-N 3.28Å; E587-Q589 PolarHBondContact O-N 2.89Å; Q589-G592 PolarHBondContact O-N 2.98Å; Q589-K593 WeakPolarHBondContact O-CB 3.08Å; Q589-K593 VanDerWaalsContact O-CG 3.31Å; Q589-K593 WeakPolarHBondContact O-CG 3.21Å; Q589-K593 PolarHBondContact O-N 3.45Å; Q589-G624 WeakPolarHBondContact CG-O 3.33Å; Q589-V628 HydrophobicContact CB-CG2 3.87Å; Q589-V628 HydrophobicContact CG-CG2 3.96Å; Q589-V628 WeakPolarHBondContact O-CG2 3.37Å |
| 590 | Q | 91.1 | Very high | 88 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.2 | -71.5 | 175.2 | -10.1 | 0 | 0 | 111 | H509 G510 S586 E587 K593 A594 | H509-Q590 PolarHBondContact O-NE2 3.49Å; G510-Q590 PolarHBondContact O-OE1 3.2Å; S586-Q590 WeakPolarHBondContact O-CG 3.38Å; S586-Q590 PolarHBondContact O-N 3.3Å; E587-Q590 WeakPolarHBondContact O-CB 3.29Å; E587-Q590 PolarHBondContact O-N 2.83Å; E587-Q590 VanDerWaalsContact O-N 3.09Å; Q590-K593 PolarHBondContact O-N 3.11Å; Q590-A594 WeakPolarHBondContact O-CB 3.17Å; Q590-A594 PolarHBondContact O-N 3.3Å |
| 591 | V | 90.6 | Very high | 89 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | I570 L583 E587 M588 K593 A594 I595 L608 | I570-V591 HydrophobicContact CD1-CG2 4.44Å; L583-V591 HydrophobicContact CD1-CG2 4.14Å; E587-V591 WeakPolarHBondContact O-CG2 3.43Å; E587-V591 PolarHBondContact O-N 3.07Å; M588-V591 HydrophobicContact CE-CG1 4.32Å; M588-V591 HydrophobicContact SD-CB 4.07Å; M588-V591 HydrophobicContact SD-CG1 4.02Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 3.04Å; V591-A594 PolarHBondContact O-N 2.94Å; V591-A594 VanDerWaalsContact O-N 3.15Å; V591-I595 HydrophobicContact CG1-CD1 4.08Å; V591-I595 HydrophobicContact CG1-CG1 4.48Å; V591-I595 VanDerWaalsContact O-CG1 3.31Å; V591-I595 WeakPolarHBondContact O-CG1 3.46Å; V591-I595 PolarHBondContact O-N 3.46Å; V591-L608 HydrophobicContact CG1-CD1 4.18Å; V591-L608 HydrophobicContact CG1-CD2 3.25Å; V591-L608 HydrophobicContact CG1-CG 4.35Å |
| 592 | G | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M588 Q589 I595 F596 | M588-G592 PolarHBondContact O-N 3.4Å; Q589-G592 PolarHBondContact O-N 2.98Å; G592-I595 PolarHBondContact O-N 2.97Å; G592-F596 WeakPolarHBondContact O-CD2 3.29Å; G592-F596 PolarHBondContact O-N 3.3Å |
| 593 | K | 93 | Very high | 89.3 | Confident | 101 Ų | 101 | 56.1 Ų | 56.1 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.6 | -74.3 | 173.1 | -175.4 | 177.1 | 0 | 111.3 | Q589 Q590 V591 I595 F596 E597 V628 | Q589-K593 WeakPolarHBondContact O-CB 3.08Å; Q589-K593 VanDerWaalsContact O-CG 3.31Å; Q589-K593 WeakPolarHBondContact O-CG 3.21Å; Q589-K593 PolarHBondContact O-N 3.45Å; Q590-K593 PolarHBondContact O-N 3.11Å; V591-K593 VanDerWaalsContact C-N 3.34Å; V591-K593 PolarHBondContact O-N 3.04Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 PolarHBondContact O-N 3.11Å; K593-F596 CarbonylContact O-C 3.53Å; K593-F596 PolarHBondContact O-N 3.18Å; K593-E597 WeakPolarHBondContact O-CB 2.9Å; K593-E597 VanDerWaalsContact O-CG 3.26Å; K593-E597 WeakPolarHBondContact O-CG 2.99Å; K593-E597 PolarHBondContact O-N 3.42Å; K593-V628 HydrophobicContact CG-CG1 4.08Å; K593-V628 HydrophobicContact CG-CG2 4.17Å |
| 594 | A | 91.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 60.6 Ų | 60.6 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q590 V591 E598 Q599 L600 | Q590-A594 WeakPolarHBondContact O-CB 3.17Å; Q590-A594 PolarHBondContact O-N 3.3Å; V591-A594 PolarHBondContact O-N 2.94Å; V591-A594 VanDerWaalsContact O-N 3.15Å; A594-E598 PolarHBondContact O-N 2.69Å; A594-Q599 HydrophobicContact CB-CB 4.12Å; A594-Q599 PolarHBondContact O-N 2.96Å; A594-L600 HydrophobicContact CB-CD1 4.15Å; A594-L600 HydrophobicContact CB-CD2 4.18Å; A594-L600 HydrophobicContact CB-CG 3.84Å; A594-L600 PolarHBondContact O-N 2.53Å |
| 595 | I | 91.7 | Very high | 89.1 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -55.3 | 172.2 | -65.8 | 168.8 | 0 | 0 | 0 | 110.4 | V591 G592 K593 E597 E598 L600 I605 L608 V730 | V591-I595 HydrophobicContact CG1-CD1 4.08Å; V591-I595 HydrophobicContact CG1-CG1 4.48Å; V591-I595 VanDerWaalsContact O-CG1 3.31Å; V591-I595 WeakPolarHBondContact O-CG1 3.46Å; V591-I595 PolarHBondContact O-N 3.46Å; G592-I595 PolarHBondContact O-N 2.97Å; K593-I595 VanDerWaalsContact C-N 3.31Å; K593-I595 PolarHBondContact O-N 3.11Å; I595-E597 VanDerWaalsContact C-N 3.31Å; I595-E597 PolarHBondContact O-N 3.46Å; I595-E598 PolarHBondContact O-N 2.83Å; I595-L600 HydrophobicContact CG1-CD1 3.8Å; I595-I605 HydrophobicContact CG1-CG1 4.29Å; I595-I605 HydrophobicContact CG2-CD1 4.22Å; I595-L608 HydrophobicContact CD1-CD2 3.75Å; I595-L608 HydrophobicContact CG1-CD2 4.4Å; I595-V730 HydrophobicContact CG2-CG1 3.39Å |
| 596 | F | 90.8 | Very high | 88.8 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -84.5 | -0.9 | -171.6 | -62.3 | -58.4 | 0 | 0 | 0 | 114.7 | G592 K593 L625 V628 M629 K632 A726 A729 V730 F743 | G592-F596 WeakPolarHBondContact O-CD2 3.29Å; G592-F596 PolarHBondContact O-N 3.3Å; K593-F596 CarbonylContact O-C 3.53Å; K593-F596 PolarHBondContact O-N 3.18Å; F596-L625 HydrophobicContact CE2-CD1 3.91Å; F596-L625 HydrophobicContact CZ-CD1 4.46Å; F596-V628 HydrophobicContact CD2-CG1 3.79Å; F596-V628 HydrophobicContact CE2-CG1 4.25Å; F596-M629 HydrophobicContact CE2-CG 3.52Å; F596-M629 HydrophobicContact CE2-SD 4.41Å; F596-M629 HydrophobicContact CZ-CE 4.47Å; F596-M629 HydrophobicContact CZ-CG 3.55Å; F596-M629 HydrophobicContact CZ-SD 3.84Å; F596-K632 HydrophobicContact CB-CD 3.61Å; F596-K632 HydrophobicContact CD2-CD 4.3Å; F596-K632 HydrophobicContact CG-CD 4.18Å; F596-K632 PolarHBondContact O-NZ 2.9Å; F596-A726 HydrophobicContact CD1-CB 4.05Å; F596-A726 VanDerWaalsContact CD1-O 3.31Å; F596-A726 WeakPolarHBondContact CD1-O 3.21Å; F596-A726 HydrophobicContact CE1-CB 4.46Å; F596-A726 WeakPolarHBondContact CE1-O 3.32Å; F596-A726 HydrophobicContact CG-CB 4.41Å; F596-A729 HydrophobicContact CD1-CB 4.35Å; F596-V730 HydrophobicContact CE1-CG1 4.49Å; F596-F743 HydrophobicContact CE1-CE1 4.41Å; F596-F743 AromaticContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CZ 4.16Å |
| 597 | E | 88.3 | Confident | 88.2 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 12.1 | 170 | -66.2 | 171.4 | -171.4 | 0 | 0 | 111.1 | K593 I595 Q599 K632 | K593-E597 WeakPolarHBondContact O-CB 2.9Å; K593-E597 VanDerWaalsContact O-CG 3.26Å; K593-E597 WeakPolarHBondContact O-CG 2.99Å; K593-E597 PolarHBondContact O-N 3.42Å; I595-E597 VanDerWaalsContact C-N 3.31Å; I595-E597 PolarHBondContact O-N 3.46Å; E597-Q599 HydrophobicContact CB-CG 4.2Å; E597-Q599 PolarHBondContact O-N 2.75Å; E597-Q599 PolarHBondContact OE2-NE2 3.18Å; E597-Q599 VanDerWaalsContact OE2-NE2 3.07Å; E597-K632 IonicContact OE1-NZ 2.97Å |
| 598 | E | 85.4 | Confident | 88.1 | Confident | 164 Ų | 164 | 54.2 Ų | 54.2 | 77% | 0.766 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.9 | 177 | -58.9 | 178.9 | -171.7 | 0 | 0 | 112.8 | A594 I595 | A594-E598 PolarHBondContact O-N 2.69Å; I595-E598 PolarHBondContact O-N 2.83Å |
| 599 | Q | 86.8 | Confident | 87.9 | Confident | 127 Ų | 127 | 54.2 Ų | 54.2 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | trans | -88 | -12.9 | 176 | -64.5 | 171.1 | 7.8 | 0 | 0 | 112.4 | A594 E597 | A594-Q599 HydrophobicContact CB-CB 4.12Å; A594-Q599 PolarHBondContact O-N 2.96Å; E597-Q599 HydrophobicContact CB-CG 4.2Å; E597-Q599 PolarHBondContact O-N 2.75Å; E597-Q599 PolarHBondContact OE2-NE2 3.18Å; E597-Q599 VanDerWaalsContact OE2-NE2 3.07Å | ||
| 600 | L | 85.3 | Confident | 87.2 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -108.9 | 143.6 | 175 | -57.8 | -175.8 | 0 | 0 | 0 | 110.5 | A594 I595 Q604 I605 | A594-L600 HydrophobicContact CB-CD1 4.15Å; A594-L600 HydrophobicContact CB-CD2 4.18Å; A594-L600 HydrophobicContact CB-CG 3.84Å; A594-L600 PolarHBondContact O-N 2.53Å; I595-L600 HydrophobicContact CG1-CD1 3.8Å; L600-Q604 HydrophobicContact CB-CB 4.34Å; L600-I605 HydrophobicContact CB-CD1 4.21Å; L600-I605 HydrophobicContact CB-CG1 3.76Å; L600-I605 HydrophobicContact CD1-CG1 4.38Å |
| 601 | T | 84.7 | Confident | 86.8 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 48% | 0.479 | 28% | 0.283 | S | S | . | . | trans | -75.4 | 157.1 | 172.5 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | S603 Q604 I605 | T601-S603 PolarHBondContact O-N 3.18Å; T601-S603 VanDerWaalsContact O-N 3.17Å; T601-Q604 WeakPolarHBondContact O-CB 3.48Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-Q604 VanDerWaalsContact OG1-CG 3.27Å; T601-Q604 WeakPolarHBondContact OG1-CG 3.3Å; T601-Q604 PolarHBondContact OG1-N 3.29Å; T601-Q604 PolarHBondContact OG1-OE1 3.26Å; T601-I605 WeakPolarHBondContact O-CG1 3.27Å; T601-I605 PolarHBondContact O-N 2.87Å | ||
| 602 | D | 87 | Confident | 86.7 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 39% | 0.39 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -52.7 | -37.7 | 175.2 | -69.8 | -7.8 | 0 | 0 | 0 | 112.9 | S606 H732 I733 | D602-S606 VanDerWaalsContact O-CB 3.29Å; D602-S606 WeakPolarHBondContact O-CB 3.19Å; D602-S606 PolarHBondContact O-N 3.18Å; D602-S606 PolarHBondContact O-OG 3.49Å; D602-H732 IonicContact OD1-CE1 3.14Å; D602-H732 IonicContact OD1-NE2 3.39Å; D602-H732 PolarHBondContact OD1-NE2 3.5Å; D602-H732 IonicContact OD2-CD2 2.97Å; D602-H732 IonicContact OD2-NE2 2.7Å; D602-H732 PolarHBondContact OD2-NE2 3.21Å; D602-I733 HydrophobicContact CB-CD1 4.33Å; D602-I733 HydrophobicContact CB-CG1 4.27Å |
| 603 | S | 76.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 55.6 Ų | 55.6 | 65% | 0.65 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 176.2 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | T601 S606 A607 | T601-S603 PolarHBondContact O-N 3.18Å; T601-S603 VanDerWaalsContact O-N 3.17Å; S603-S606 PolarHBondContact O-N 3.15Å; S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.76Å |
| 604 | Q | 84.7 | Confident | 85.4 | Confident | 99 Ų | 99 | 57.4 Ų | 57.4 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 176.6 | -74.9 | 167 | -46.8 | 0 | 0 | 111.4 | L600 T601 A607 L608 | L600-Q604 HydrophobicContact CB-CB 4.34Å; T601-Q604 WeakPolarHBondContact O-CB 3.48Å; T601-Q604 PolarHBondContact O-N 3.49Å; T601-Q604 VanDerWaalsContact OG1-CG 3.27Å; T601-Q604 WeakPolarHBondContact OG1-CG 3.3Å; T601-Q604 PolarHBondContact OG1-N 3.29Å; T601-Q604 PolarHBondContact OG1-OE1 3.26Å; Q604-A607 PolarHBondContact O-N 2.84Å; Q604-L608 VanDerWaalsContact O-CB 3.29Å; Q604-L608 WeakPolarHBondContact O-CB 3.43Å; Q604-L608 PolarHBondContact O-N 2.73Å |
| 605 | I | 90.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 175.3 | -60.2 | 168.5 | 0 | 0 | 0 | 109.7 | I595 L600 T601 A607 L608 L609 V730 I733 | I595-I605 HydrophobicContact CG1-CG1 4.29Å; I595-I605 HydrophobicContact CG2-CD1 4.22Å; L600-I605 HydrophobicContact CB-CD1 4.21Å; L600-I605 HydrophobicContact CB-CG1 3.76Å; L600-I605 HydrophobicContact CD1-CG1 4.38Å; T601-I605 WeakPolarHBondContact O-CG1 3.27Å; T601-I605 PolarHBondContact O-N 2.87Å; I605-A607 PolarHBondContact O-N 3.16Å; I605-L608 WeakPolarHBondContact O-CB 3.23Å; I605-L608 PolarHBondContact O-N 2.91Å; I605-L609 HydrophobicContact CG2-CD1 3.91Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CB 3.42Å; I605-L609 VanDerWaalsContact O-CG 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.33Å; I605-L609 PolarHBondContact O-N 3.05Å; I605-V730 HydrophobicContact CG2-CG1 4.43Å; I605-I733 HydrophobicContact CB-CD1 3.8Å; I605-I733 HydrophobicContact CD1-CD1 3.6Å; I605-I733 HydrophobicContact CG1-CD1 4.3Å; I605-I733 HydrophobicContact CG2-CD1 3.67Å; I605-I733 HydrophobicContact CG2-CG2 4.22Å |
| 606 | S | 83.6 | Confident | 84.8 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 174.3 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | D602 S603 L608 L609 V610 I733 | D602-S606 VanDerWaalsContact O-CB 3.29Å; D602-S606 WeakPolarHBondContact O-CB 3.19Å; D602-S606 PolarHBondContact O-N 3.18Å; D602-S606 PolarHBondContact O-OG 3.49Å; S603-S606 PolarHBondContact O-N 3.15Å; S606-L608 PolarHBondContact O-N 2.87Å; S606-L609 PolarHBondContact O-N 3.19Å; S606-V610 WeakPolarHBondContact O-CB 3.37Å; S606-V610 VanDerWaalsContact O-CG2 3.31Å; S606-V610 WeakPolarHBondContact O-CG2 3.36Å; S606-V610 PolarHBondContact O-N 2.93Å; S606-I733 WeakPolarHBondContact OG-CG2 3.5Å |
| 607 | A | 79 | Confident | 84.6 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S603 Q604 I605 G611 | S603-A607 WeakPolarHBondContact O-CB 3.28Å; S603-A607 PolarHBondContact O-N 2.76Å; Q604-A607 PolarHBondContact O-N 2.84Å; I605-A607 PolarHBondContact O-N 3.16Å; A607-G611 PolarHBondContact O-N 3.23Å |
| 608 | L | 88.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 174.2 | 169.3 | 68.2 | 0 | 0 | 0 | 111.6 | I570 I577 V591 I595 Q604 I605 S606 G611 L612 | I570-L608 HydrophobicContact CD1-CD1 4.32Å; I577-L608 HydrophobicContact CD1-CD1 3.16Å; V591-L608 HydrophobicContact CG1-CD1 4.18Å; V591-L608 HydrophobicContact CG1-CD2 3.25Å; V591-L608 HydrophobicContact CG1-CG 4.35Å; I595-L608 HydrophobicContact CD1-CD2 3.75Å; I595-L608 HydrophobicContact CG1-CD2 4.4Å; Q604-L608 VanDerWaalsContact O-CB 3.29Å; Q604-L608 WeakPolarHBondContact O-CB 3.43Å; Q604-L608 PolarHBondContact O-N 2.73Å; I605-L608 WeakPolarHBondContact O-CB 3.23Å; I605-L608 PolarHBondContact O-N 2.91Å; S606-L608 PolarHBondContact O-N 2.87Å; L608-G611 PolarHBondContact O-N 3.16Å; L608-L612 HydrophobicContact CD1-CD1 3.93Å; L608-L612 HydrophobicContact CD1-CG 4.12Å; L608-L612 HydrophobicContact CG-CD1 4.15Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.85Å |
| 609 | L | 89.6 | Confident | 85 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | -177.2 | -68.3 | 177.1 | 0 | 0 | 0 | 112.3 | I605 S606 K613 I733 L737 T741 I742 F743 | I605-L609 HydrophobicContact CG2-CD1 3.91Å; I605-L609 HydrophobicContact CG2-CG 4.27Å; I605-L609 WeakPolarHBondContact O-CB 3.42Å; I605-L609 VanDerWaalsContact O-CG 3.23Å; I605-L609 WeakPolarHBondContact O-CG 3.33Å; I605-L609 PolarHBondContact O-N 3.05Å; S606-L609 PolarHBondContact O-N 3.19Å; L609-K613 WeakPolarHBondContact O-CB 3.42Å; L609-K613 PolarHBondContact O-N 3.1Å; L609-K613 VanDerWaalsContact O-N 3.08Å; L609-I733 HydrophobicContact CD1-CG2 4.3Å; L609-L737 HydrophobicContact CB-CD1 3.98Å; L609-L737 HydrophobicContact CD1-CD1 3.85Å; L609-T741 HydrophobicContact CB-CG2 4.02Å; L609-T741 HydrophobicContact CD1-CG2 4.42Å; L609-I742 HydrophobicContact CD2-CG2 3.68Å; L609-F743 HydrophobicContact CD1-CD2 4.1Å; L609-F743 HydrophobicContact CD1-CE2 4.07Å; L609-F743 HydrophobicContact CD2-CD2 3.68Å; L609-F743 HydrophobicContact CD2-CE2 3.61Å; L609-F743 HydrophobicContact CG-CE2 4.41Å |
| 610 | V | 80.8 | Confident | 85.3 | Confident | 55 Ų | 55 | 45 Ų | 45 | 33% | 0.333 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 173.9 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | S606 K613 I614 L737 | S606-V610 WeakPolarHBondContact O-CB 3.37Å; S606-V610 VanDerWaalsContact O-CG2 3.31Å; S606-V610 WeakPolarHBondContact O-CG2 3.36Å; S606-V610 PolarHBondContact O-N 2.93Å; V610-K613 WeakPolarHBondContact O-CB 3.43Å; V610-K613 PolarHBondContact O-N 3.12Å; V610-I614 HydrophobicContact CG1-CD1 3.68Å; V610-I614 HydrophobicContact CG1-CG1 4.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.32Å; V610-I614 PolarHBondContact O-N 2.69Å; V610-L737 HydrophobicContact CG2-CD2 3.81Å |
| 611 | G | 83.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 42.7 Ų | 42.7 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A607 L608 K613 I614 K615 | A607-G611 PolarHBondContact O-N 3.23Å; L608-G611 PolarHBondContact O-N 3.16Å; G611-K613 VanDerWaalsContact C-N 3.3Å; G611-K613 PolarHBondContact O-N 3.43Å; G611-I614 PolarHBondContact O-N 3.21Å; G611-K615 VanDerWaalsContact O-CB 3.28Å; G611-K615 WeakPolarHBondContact O-CB 3.21Å; G611-K615 PolarHBondContact O-N 3.14Å |
| 612 | L | 88.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 173.9 | -72.3 | 173.8 | 0 | 0 | 0 | 112 | I577 M588 L608 G616 E621 I742 | I577-L612 HydrophobicContact CD1-CD2 4.1Å; I577-L612 HydrophobicContact CD1-CG 4.25Å; M588-L612 HydrophobicContact CE-CD1 3.94Å; M588-L612 HydrophobicContact SD-CD1 4.44Å; L608-L612 HydrophobicContact CD1-CD1 3.93Å; L608-L612 HydrophobicContact CD1-CG 4.12Å; L608-L612 HydrophobicContact CG-CD1 4.15Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.38Å; L608-L612 PolarHBondContact O-N 2.85Å; L612-G616 CarbonylContact O-C 3.56Å; L612-G616 VanDerWaalsContact O-C 3.26Å; L612-G616 WeakPolarHBondContact O-CA 3.36Å; L612-G616 PolarHBondContact O-N 3.38Å; L612-E621 WeakPolarHBondContact CD2-OE1 3.37Å; L612-I742 HydrophobicContact CD1-CD1 4.34Å; L612-I742 HydrophobicContact CD1-CG2 4.32Å |
| 613 | K | 81.9 | Confident | 86.5 | Confident | 90 Ų | 90 | 35.6 Ų | 35.6 | 39% | 0.391 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.9 | -46 | 176.7 | -179.5 | -180 | -176.4 | 136.4 | 0 | 112.1 | L609 V610 G611 G616 T739 P740 | L609-K613 WeakPolarHBondContact O-CB 3.42Å; L609-K613 PolarHBondContact O-N 3.1Å; L609-K613 VanDerWaalsContact O-N 3.08Å; V610-K613 WeakPolarHBondContact O-CB 3.43Å; V610-K613 PolarHBondContact O-N 3.12Å; G611-K613 VanDerWaalsContact C-N 3.3Å; G611-K613 PolarHBondContact O-N 3.43Å; K613-G616 PolarHBondContact O-N 2.98Å; K613-T739 HydrophobicContact CD-CG2 4.09Å; K613-T739 PolarHBondContact NZ-OG1 3.11Å; K613-P740 WeakPolarHBondContact CD-O 3.5Å; K613-P740 PolarHBondContact NZ-O 2.84Å |
| 614 | I | 76.1 | Confident | 87.4 | Confident | 140 Ų | 140 | 31.2 Ų | 31.2 | 72% | 0.718 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -66 | -41.9 | 179.9 | -68.6 | 168.5 | 0 | 0 | 0 | 110.4 | V610 G611 | V610-I614 HydrophobicContact CG1-CD1 3.68Å; V610-I614 HydrophobicContact CG1-CG1 4.33Å; V610-I614 WeakPolarHBondContact O-CG1 3.32Å; V610-I614 PolarHBondContact O-N 2.69Å; G611-I614 PolarHBondContact O-N 3.21Å |
| 615 | K | 85 | Confident | 87.9 | Confident | 45 Ų | 45 | 26.5 Ų | 26.5 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 177.7 | -176.4 | 179.2 | 62.6 | 63.6 | 0 | 112.7 | G580 N581 D582 G611 E621 | G580-K615 VanDerWaalsContact C-CD 3.45Å; G580-K615 WeakPolarHBondContact O-CD 3.43Å; N581-K615 VanDerWaalsContact C-CD 3.47Å; N581-K615 WeakPolarHBondContact O-CD 3.33Å; N581-K615 VanDerWaalsContact O-CE 3.29Å; N581-K615 WeakPolarHBondContact O-CE 3.44Å; D582-K615 IonicContact OD1-NZ 2.91Å; D582-K615 PolarHBondContact OD1-NZ 3.45Å; G611-K615 VanDerWaalsContact O-CB 3.28Å; G611-K615 WeakPolarHBondContact O-CB 3.21Å; G611-K615 PolarHBondContact O-N 3.14Å; K615-E621 VanDerWaalsContact CE-OE1 3.26Å; K615-E621 WeakPolarHBondContact CE-OE1 3.5Å; K615-E621 IonicContact NZ-OE1 3.68Å; K615-E621 PolarHBondContact NZ-OE1 3.31Å; K615-E621 IonicContact NZ-OE2 3.5Å; K615-E621 PolarHBondContact NZ-OE2 3.1Å |
| 616 | G | 84 | Confident | 88.1 | Confident | 36 Ų | 36 | 26.2 Ų | 26.2 | 37% | 0.371 | 16% | 0.162 | S | C | . | . | trans | 92.9 | 147.4 | -160 | 0 | 0 | 0 | 0 | 0 | 110.7 | L612 K613 | L612-G616 CarbonylContact O-C 3.56Å; L612-G616 VanDerWaalsContact O-C 3.26Å; L612-G616 WeakPolarHBondContact O-CA 3.36Å; L612-G616 PolarHBondContact O-N 3.38Å; K613-G616 PolarHBondContact O-N 2.98Å | ||
| 617 | V | 87.5 | Confident | 88.6 | Confident | 36 Ų | 36 | 27.8 Ų | 27.8 | 22% | 0.218 | 17% | 0.166 | C | C | . | . | trans | -97.1 | 120.8 | -176.3 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | E621 L622 I742 | V617-E621 HydrophobicContact CG1-CB 4.44Å; V617-L622 HydrophobicContact CG1-CB 4.12Å; V617-L622 HydrophobicContact CG1-CD1 4.24Å; V617-I742 HydrophobicContact CG1-CD1 3.55Å; V617-I742 HydrophobicContact CG1-CG1 3.78Å; V617-I742 HydrophobicContact CG2-CB 4.07Å; V617-I742 HydrophobicContact CG2-CD1 4.34Å; V617-I742 HydrophobicContact CG2-CG1 4.19Å | ||
| 618 | A | 90.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 26.2 Ų | 26.2 | 11% | 0.107 | 15% | 0.152 | C | C | . | . | trans | -83.4 | 153.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D582 A620 E621 L622 | D582-A618 HydrophobicContact CB-CB 3.95Å; D582-A618 VanDerWaalsContact CG-CB 3.5Å; D582-A618 WeakPolarHBondContact OD2-CB 3.49Å; A618-A620 PolarHBondContact O-N 3.37Å; A618-E621 HydrophobicContact CB-CG 4.19Å; A618-E621 PolarHBondContact N-OE2 3.07Å; A618-E621 WeakPolarHBondContact O-CB 3.45Å; A618-E621 PolarHBondContact O-N 3.31Å; A618-L622 PolarHBondContact O-N 3.27Å; A618-L622 VanDerWaalsContact O-N 3.12Å | ||
| 619 | A | 92.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | E621 L622 T623 E770 K773 T774 Q777 | A619-E621 VanDerWaalsContact C-N 3.33Å; A619-E621 PolarHBondContact O-N 3.4Å; A619-L622 PolarHBondContact O-N 3Å; A619-T623 VanDerWaalsContact O-CB 3.29Å; A619-T623 WeakPolarHBondContact O-CB 3.49Å; A619-T623 PolarHBondContact O-N 3.07Å; A619-T623 PolarHBondContact O-OG1 3.38Å; A619-E770 HydrophobicContact CB-CB 4.32Å; A619-E770 WeakPolarHBondContact CB-O 3.5Å; A619-E770 WeakPolarHBondContact CB-OE2 3.43Å; A619-E770 PolarHBondContact N-OE2 3.09Å; A619-K773 HydrophobicContact CB-CB 3.96Å; A619-T774 WeakPolarHBondContact CA-OG1 3.16Å; A619-T774 PolarHBondContact O-OG1 3.03Å; A619-Q777 PolarHBondContact O-OE1 3.49Å |
| 620 | A | 93 | Very high | 89.5 | Confident | 27 Ų | 27 | 27.8 Ų | 27.8 | 22% | 0.223 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I585 A618 G624 | I585-A620 WeakPolarHBondContact CA-O 3.48Å; I585-A620 HydrophobicContact CG1-CB 3.78Å; I585-A620 WeakPolarHBondContact CG1-O 3.26Å; A618-A620 PolarHBondContact O-N 3.37Å; A620-G624 PolarHBondContact O-N 3.42Å |
| 621 | E | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.5 | -45.7 | 179.3 | -59.1 | 175.4 | 142.7 | 0 | 0 | 110.2 | D582 L583 M588 L612 K615 V617 A618 A619 G624 L625 I742 | D582-E621 WeakPolarHBondContact CA-OE1 3.06Å; L583-E621 HydrophobicContact CB-CG 4.02Å; L583-E621 PolarHBondContact N-OE1 3.02Å; L583-E621 VanDerWaalsContact O-CG 3.32Å; L583-E621 WeakPolarHBondContact O-CG 3.43Å; M588-E621 HydrophobicContact CB-CB 4.45Å; M588-E621 HydrophobicContact CG-CB 4.09Å; M588-E621 WeakPolarHBondContact CG-O 3.47Å; L612-E621 WeakPolarHBondContact CD2-OE1 3.37Å; K615-E621 VanDerWaalsContact CE-OE1 3.26Å; K615-E621 WeakPolarHBondContact CE-OE1 3.5Å; K615-E621 IonicContact NZ-OE1 3.68Å; K615-E621 PolarHBondContact NZ-OE1 3.31Å; K615-E621 IonicContact NZ-OE2 3.5Å; K615-E621 PolarHBondContact NZ-OE2 3.1Å; V617-E621 HydrophobicContact CG1-CB 4.44Å; A618-E621 HydrophobicContact CB-CG 4.19Å; A618-E621 PolarHBondContact N-OE2 3.07Å; A618-E621 WeakPolarHBondContact O-CB 3.45Å; A618-E621 PolarHBondContact O-N 3.31Å; A619-E621 VanDerWaalsContact C-N 3.33Å; A619-E621 PolarHBondContact O-N 3.4Å; E621-G624 PolarHBondContact O-N 3.36Å; E621-L625 WeakPolarHBondContact O-CB 3.44Å; E621-L625 PolarHBondContact O-N 3.26Å; E621-I742 HydrophobicContact CB-CD1 4.28Å |
| 622 | L | 93.3 | Very high | 90 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 179.5 | -160.3 | 65.8 | 0 | 0 | 0 | 111.7 | V617 A618 A619 A626 I742 L745 L749 T774 | V617-L622 HydrophobicContact CG1-CB 4.12Å; V617-L622 HydrophobicContact CG1-CD1 4.24Å; A618-L622 PolarHBondContact O-N 3.27Å; A618-L622 VanDerWaalsContact O-N 3.12Å; A619-L622 PolarHBondContact O-N 3Å; L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.49Å; L622-A626 PolarHBondContact O-N 3.44Å; L622-I742 HydrophobicContact CD1-CD1 4.06Å; L622-I742 HydrophobicContact CD1-CG1 3.47Å; L622-I742 VanDerWaalsContact CD1-CG1 3.47Å; L622-L745 HydrophobicContact CD1-CB 3.8Å; L622-L745 HydrophobicContact CD1-CD1 4.39Å; L622-L745 HydrophobicContact CD2-CB 4.14Å; L622-L745 HydrophobicContact CD2-CD1 4.28Å; L622-L749 HydrophobicContact CD1-CD1 4.12Å; L622-L749 HydrophobicContact CD2-CD1 3.55Å; L622-L749 HydrophobicContact CG-CD1 3.5Å; L622-T774 HydrophobicContact CB-CG2 4.15Å; L622-T774 HydrophobicContact CD2-CG2 4.08Å; L622-T774 HydrophobicContact CG-CG2 4.09Å |
| 623 | T | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 173.3 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | I585 A619 L625 A626 Q627 T774 Q777 L778 | I585-T623 HydrophobicContact CD1-CG2 3.88Å; I585-T623 HydrophobicContact CG1-CG2 4.21Å; I585-T623 HydrophobicContact CG2-CG2 4.27Å; A619-T623 VanDerWaalsContact O-CB 3.29Å; A619-T623 WeakPolarHBondContact O-CB 3.49Å; A619-T623 PolarHBondContact O-N 3.07Å; A619-T623 PolarHBondContact O-OG1 3.38Å; T623-L625 PolarHBondContact O-N 2.83Å; T623-A626 PolarHBondContact O-N 2.86Å; T623-Q627 HydrophobicContact CG2-CG 4.33Å; T623-Q627 VanDerWaalsContact O-CG 3.32Å; T623-Q627 WeakPolarHBondContact O-CG 3.49Å; T623-Q627 PolarHBondContact O-N 3.08Å; T623-T774 WeakPolarHBondContact OG1-CG2 3.39Å; T623-Q777 HydrophobicContact CG2-CB 3.8Å; T623-Q777 PolarHBondContact OG1-OE1 3.2Å; T623-L778 HydrophobicContact CG2-CD2 4.16Å |
| 624 | G | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q589 A620 E621 V628 | Q589-G624 WeakPolarHBondContact CG-O 3.33Å; A620-G624 PolarHBondContact O-N 3.42Å; E621-G624 PolarHBondContact O-N 3.36Å; G624-V628 WeakPolarHBondContact O-CG2 3.25Å; G624-V628 PolarHBondContact O-N 2.91Å |
| 625 | L | 94.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.4 | -40.1 | 176.1 | -173.4 | 60.6 | 0 | 0 | 0 | 112.2 | M588 F596 E621 T623 V628 M629 I742 F743 L746 | M588-L625 HydrophobicContact CE-CB 4.05Å; M588-L625 HydrophobicContact CE-CD1 4.2Å; M588-L625 HydrophobicContact CE-CD2 3.92Å; M588-L625 HydrophobicContact CE-CG 4.28Å; M588-L625 HydrophobicContact CG-CB 4.23Å; F596-L625 HydrophobicContact CE2-CD1 3.91Å; F596-L625 HydrophobicContact CZ-CD1 4.46Å; E621-L625 WeakPolarHBondContact O-CB 3.44Å; E621-L625 PolarHBondContact O-N 3.26Å; T623-L625 PolarHBondContact O-N 2.83Å; L625-V628 PolarHBondContact O-N 3.39Å; L625-M629 PolarHBondContact O-N 3.38Å; L625-M629 VanDerWaalsContact O-N 3.1Å; L625-I742 HydrophobicContact CD2-CD1 4.08Å; L625-I742 HydrophobicContact CD2-CG1 4.15Å; L625-I742 HydrophobicContact CD2-CG2 3.78Å; L625-F743 HydrophobicContact CD1-CE1 4.39Å; L625-F743 HydrophobicContact CD1-CZ 4.47Å; L625-F743 HydrophobicContact CD2-CD1 4.31Å; L625-F743 HydrophobicContact CD2-CE1 3.87Å; L625-F743 HydrophobicContact CD2-CZ 4.11Å; L625-F743 HydrophobicContact CG-CE1 4.44Å; L625-L746 HydrophobicContact CB-CD1 4.47Å; L625-L746 HydrophobicContact CD2-CD2 3.81Å; L625-L746 HydrophobicContact CG-CD1 4.29Å; L625-L746 HydrophobicContact CG-CD2 3.83Å |
| 626 | A | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L622 T623 V628 M629 Q630 L746 L749 I750 L778 | L622-A626 VanDerWaalsContact O-CB 3.23Å; L622-A626 WeakPolarHBondContact O-CB 3.49Å; L622-A626 PolarHBondContact O-N 3.44Å; T623-A626 PolarHBondContact O-N 2.86Å; A626-V628 PolarHBondContact O-N 2.87Å; A626-M629 WeakPolarHBondContact O-CB 3.45Å; A626-M629 PolarHBondContact O-N 3.4Å; A626-M629 VanDerWaalsContact O-N 3.17Å; A626-Q630 WeakPolarHBondContact O-CG 3.22Å; A626-Q630 PolarHBondContact O-N 2.71Å; A626-L746 HydrophobicContact CB-CD1 3.7Å; A626-L749 HydrophobicContact CB-CB 4.11Å; A626-I750 HydrophobicContact CB-CG2 4.06Å; A626-L778 HydrophobicContact CB-CD1 3.99Å; A626-L778 HydrophobicContact CB-CD2 3.99Å |
| 627 | Q | 94 | Very high | 89.7 | Confident | 60 Ų | 60 | 30.2 Ų | 30.2 | 28% | 0.28 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -40.1 | 177.8 | -73.1 | 172 | -21 | 0 | 0 | 112.3 | T623 M629 Q630 G631 L778 | T623-Q627 HydrophobicContact CG2-CG 4.33Å; T623-Q627 VanDerWaalsContact O-CG 3.32Å; T623-Q627 WeakPolarHBondContact O-CG 3.49Å; T623-Q627 PolarHBondContact O-N 3.08Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.41Å; Q627-Q630 PolarHBondContact O-N 2.88Å; Q627-G631 PolarHBondContact O-N 2.88Å; Q627-L778 HydrophobicContact CG-CD2 3.65Å |
| 628 | V | 93.6 | Very high | 89.1 | Confident | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 174.1 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | Q589 K593 F596 G624 L625 A626 G631 K632 | Q589-V628 HydrophobicContact CB-CG2 3.87Å; Q589-V628 HydrophobicContact CG-CG2 3.96Å; Q589-V628 WeakPolarHBondContact O-CG2 3.37Å; K593-V628 HydrophobicContact CG-CG1 4.08Å; K593-V628 HydrophobicContact CG-CG2 4.17Å; F596-V628 HydrophobicContact CD2-CG1 3.79Å; F596-V628 HydrophobicContact CE2-CG1 4.25Å; G624-V628 WeakPolarHBondContact O-CG2 3.25Å; G624-V628 PolarHBondContact O-N 2.91Å; L625-V628 PolarHBondContact O-N 3.39Å; A626-V628 PolarHBondContact O-N 2.87Å; V628-G631 PolarHBondContact O-N 2.7Å; V628-K632 HydrophobicContact CG1-CD 4.4Å; V628-K632 PolarHBondContact O-N 2.82Å |
| 629 | M | 91.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.1 | -40.1 | 179.3 | -82.5 | -147.9 | 71.3 | 0 | 0 | 113.9 | F596 L625 A626 Q627 G631 K632 G633 H724 M727 L746 I750 | F596-M629 HydrophobicContact CE2-CG 3.52Å; F596-M629 HydrophobicContact CE2-SD 4.41Å; F596-M629 HydrophobicContact CZ-CE 4.47Å; F596-M629 HydrophobicContact CZ-CG 3.55Å; F596-M629 HydrophobicContact CZ-SD 3.84Å; L625-M629 PolarHBondContact O-N 3.38Å; L625-M629 VanDerWaalsContact O-N 3.1Å; A626-M629 WeakPolarHBondContact O-CB 3.45Å; A626-M629 PolarHBondContact O-N 3.4Å; A626-M629 VanDerWaalsContact O-N 3.17Å; Q627-M629 VanDerWaalsContact C-N 3.31Å; Q627-M629 PolarHBondContact O-N 3.41Å; M629-G631 VanDerWaalsContact C-N 3.33Å; M629-K632 PolarHBondContact O-N 3.1Å; M629-G633 PolarHBondContact O-N 3.33Å; M629-H724 HydrophobicContact CE-CB 3.99Å; M629-M727 HydrophobicContact CE-CB 4.07Å; M629-M727 HydrophobicContact CE-CE 3.49Å; M629-M727 VanDerWaalsContact CE-CE 3.49Å; M629-M727 HydrophobicContact SD-CE 3.44Å; M629-M727 WeakPolarHBondContact SD-CE 3.4Å; M629-L746 HydrophobicContact CG-CD2 3.97Å; M629-L746 HydrophobicContact SD-CD2 3.14Å; M629-L746 WeakPolarHBondContact SD-CD2 3.49Å; M629-L746 HydrophobicContact SD-CG 3.89Å; M629-I750 HydrophobicContact CB-CB 4.33Å; M629-I750 HydrophobicContact CB-CG2 3.63Å; M629-I750 HydrophobicContact CE-CD1 3.55Å; M629-I750 HydrophobicContact SD-CD1 3.95Å; M629-I750 HydrophobicContact SD-CG2 4.38Å |
| 630 | Q | 90.6 | Very high | 88 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 172.4 | -73 | -179.8 | -52.7 | 0 | 0 | 110.5 | A626 Q627 K632 G633 I750 N751 | A626-Q630 WeakPolarHBondContact O-CG 3.22Å; A626-Q630 PolarHBondContact O-N 2.71Å; Q627-Q630 PolarHBondContact O-N 2.88Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.13Å; Q630-G633 PolarHBondContact O-N 3.44Å; Q630-I750 HydrophobicContact CG-CB 4.12Å; Q630-I750 HydrophobicContact CG-CG2 4.44Å; Q630-N751 PolarHBondContact NE2-O 2.97Å |
| 631 | G | 88.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 73% | 0.732 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -66.7 | -23.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q627 V628 M629 | Q627-G631 PolarHBondContact O-N 2.88Å; V628-G631 PolarHBondContact O-N 2.7Å; M629-G631 VanDerWaalsContact C-N 3.33Å |
| 632 | K | 87.2 | Confident | 87.6 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 30% | 0.296 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -2.5 | 171.7 | -72.1 | -175.7 | -179 | -97.2 | 0 | 113.3 | F596 E597 V628 M629 Q630 A726 | F596-K632 HydrophobicContact CB-CD 3.61Å; F596-K632 HydrophobicContact CD2-CD 4.3Å; F596-K632 HydrophobicContact CG-CD 4.18Å; F596-K632 PolarHBondContact O-NZ 2.9Å; E597-K632 IonicContact OE1-NZ 2.97Å; V628-K632 HydrophobicContact CG1-CD 4.4Å; V628-K632 PolarHBondContact O-N 2.82Å; M629-K632 PolarHBondContact O-N 3.1Å; Q630-K632 VanDerWaalsContact C-N 3.28Å; Q630-K632 PolarHBondContact O-N 3.13Å; K632-A726 HydrophobicContact CB-CB 4.16Å; K632-A726 HydrophobicContact CD-CB 4.23Å |
| 633 | G | 85.4 | Confident | 87.6 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -75 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M629 Q630 P635 L723 | M629-G633 PolarHBondContact O-N 3.33Å; Q630-G633 PolarHBondContact O-N 3.44Å; G633-P635 WeakPolarHBondContact O-CD 3.15Å; G633-L723 CarbonylContact C-O 3.5Å; G633-L723 WeakPolarHBondContact CA-O 3.26Å |
| 634 | T | 84.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69 | 122.5 | 171.7 | -56.3 | 0 | 0 | 0 | 0 | 108.9 | M636 P703 L723 | T634-M636 HydrophobicContact CG2-CE 3.72Å; T634-M636 VanDerWaalsContact O-CE 3.28Å; T634-M636 WeakPolarHBondContact O-CE 3.4Å; T634-M636 PolarHBondContact O-N 3.46Å; T634-P703 HydrophobicContact CG2-CG 3.56Å; T634-L723 HydrophobicContact CG2-CD2 4.46Å; T634-L723 PolarHBondContact N-O 2.8Å |
| 635 | P | 81.8 | Confident | 87.6 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 72% | 0.721 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 131.7 | 179.7 | 27.1 | -33.4 | 0 | 0 | 0 | 110.3 | G633 | G633-P635 WeakPolarHBondContact O-CD 3.15Š|
| 636 | M | 84.1 | Confident | 87.6 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 161.2 | 171.6 | -60.3 | -65.7 | 106.8 | 0 | 0 | 110.3 | T634 P703 I706 L723 P752 Y753 | T634-M636 HydrophobicContact CG2-CE 3.72Å; T634-M636 VanDerWaalsContact O-CE 3.28Å; T634-M636 WeakPolarHBondContact O-CE 3.4Å; T634-M636 PolarHBondContact O-N 3.46Å; M636-P703 HydrophobicContact CE-CB 3.82Å; M636-P703 HydrophobicContact CE-CG 3.9Å; M636-P703 HydrophobicContact SD-CB 4.26Å; M636-I706 HydrophobicContact SD-CB 4.48Å; M636-I706 HydrophobicContact SD-CD1 4.09Å; M636-I706 HydrophobicContact SD-CG2 4.29Å; M636-L723 HydrophobicContact CE-CD2 3.65Å; M636-P752 HydrophobicContact CG-CB 3.86Å; M636-P752 HydrophobicContact CG-CG 3.82Å; M636-P752 HydrophobicContact SD-CG 4.47Å; M636-Y753 HydrophobicContact CB-CD1 3.83Å; M636-Y753 HydrophobicContact CB-CD2 4.42Å; M636-Y753 HydrophobicContact CB-CE1 3.53Å; M636-Y753 HydrophobicContact CB-CE2 4.16Å; M636-Y753 HydrophobicContact CB-CG 4.28Å; M636-Y753 HydrophobicContact CG-CD1 4.37Å; M636-Y753 HydrophobicContact CG-CD2 4.09Å; M636-Y753 HydrophobicContact CG-CE1 4.19Å; M636-Y753 HydrophobicContact CG-CE2 3.89Å; M636-Y753 HydrophobicContact CG-CG 4.34Å; M636-Y753 HydrophobicContact SD-CE2 4.25Å |
| 637 | L | 71.7 | Confident | 87.4 | Confident | 102 Ų | 102 | 42.1 Ų | 42.1 | 53% | 0.534 | 27% | 0.274 | S | S | . | . | trans | -73.5 | -172.7 | 171.6 | -53.1 | 169.3 | 0 | 0 | 0 | 110.8 | A639 D707 | L637-A639 PolarHBondContact O-N 3.3Å; L637-D707 HydrophobicContact CB-CB 4.47Å; L637-D707 VanDerWaalsContact CB-CG 3.48Å; L637-D707 WeakPolarHBondContact CB-OD2 3.46Å; L637-D707 HydrophobicContact CD1-CB 4.03Å; L637-D707 WeakPolarHBondContact CD1-OD2 3.38Å; L637-D707 WeakPolarHBondContact CG-OD2 3.44Å; L637-D707 PolarHBondContact N-OD2 3.2Å; L637-D707 VanDerWaalsContact N-OD2 3.1Å | ||
| 638 | A | 76.1 | Confident | 86.9 | Confident | 93 Ų | 93 | 40.3 Ų | 40.3 | 77% | 0.769 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 120.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 639 | A | 76.6 | Confident | 86.1 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 140.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L637 V643 Y753 P754 | L637-A639 PolarHBondContact O-N 3.3Å; A639-V643 HydrophobicContact CB-CG1 3.87Å; A639-Y753 HydrophobicContact CB-CD1 3.55Å; A639-Y753 HydrophobicContact CB-CE1 4.27Å; A639-Y753 HydrophobicContact CB-CG 4.33Å; A639-P754 HydrophobicContact CB-CG 4.01Å |
| 640 | P | 83.7 | Confident | 85.1 | Confident | 44 Ų | 44 | 42.5 Ų | 42.5 | 29% | 0.286 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 149.4 | 171.6 | 26.5 | -29.7 | 0 | 0 | 0 | 110.6 | G642 V643 P673 L710 | P640-G642 PolarHBondContact O-N 2.88Å; P640-V643 HydrophobicContact CG-CB 4.13Å; P640-V643 HydrophobicContact CG-CG2 4.36Å; P640-V643 WeakPolarHBondContact O-CB 3.37Å; P640-V643 WeakPolarHBondContact O-CG1 3.31Å; P640-V643 PolarHBondContact O-N 3.47Å; P640-P673 HydrophobicContact CB-CB 4.42Å; P640-P673 HydrophobicContact CB-CG 4.44Å; P640-P673 HydrophobicContact CG-CB 3.88Å; P640-P673 HydrophobicContact CG-CG 4.41Å; P640-L710 HydrophobicContact CG-CD2 3.65Å; P640-L710 HydrophobicContact CG-CG 3.92Å |
| 641 | V | 86.1 | Confident | 83.7 | Confident | 140 Ų | 140 | 41.9 Ų | 41.9 | 85% | 0.848 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 134.2 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 642 | G | 91.1 | Very high | 82.5 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 16.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | P640 D756 | P640-G642 PolarHBondContact O-N 2.88Å; G642-D756 VanDerWaalsContact CA-OD2 3.31Å; G642-D756 WeakPolarHBondContact CA-OD2 3.32Å; G642-D756 PolarHBondContact N-OD2 3.17Å |
| 643 | V | 93.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -63.7 | 137.6 | 180 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | A639 P640 P673 A675 L710 P754 L755 D756 Y757 | A639-V643 HydrophobicContact CB-CG1 3.87Å; P640-V643 HydrophobicContact CG-CB 4.13Å; P640-V643 HydrophobicContact CG-CG2 4.36Å; P640-V643 WeakPolarHBondContact O-CB 3.37Å; P640-V643 WeakPolarHBondContact O-CG1 3.31Å; P640-V643 PolarHBondContact O-N 3.47Å; V643-P673 WeakPolarHBondContact CA-O 3.02Å; V643-P673 HydrophobicContact CB-CB 4.49Å; V643-A675 HydrophobicContact CG2-CB 3.67Å; V643-L710 HydrophobicContact CG2-CD2 4.03Å; V643-P754 WeakPolarHBondContact CG1-O 3.44Å; V643-L755 HydrophobicContact CG1-CD2 4.07Å; V643-L755 HydrophobicContact CG2-CD2 4.11Å; V643-D756 PolarHBondContact O-N 3.48Å; V643-D756 VanDerWaalsContact O-N 3.15Å; V643-Y757 PolarHBondContact O-N 2.95Å | ||
| 644 | M | 95.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.8 | -175.3 | -177.4 | 175.6 | -177.7 | 0 | 0 | 112 | L667 I672 P673 M674 A675 Y757 L759 A868 | M644-L667 HydrophobicContact SD-CD1 4.44Å; M644-I672 HydrophobicContact CB-CG2 3.61Å; M644-I672 HydrophobicContact CG-CG2 4.45Å; M644-I672 HydrophobicContact SD-CG2 4.17Å; M644-P673 PolarHBondContact N-O 2.84Å; M644-M674 HydrophobicContact CB-CE 4.49Å; M644-M674 HydrophobicContact CB-SD 3.91Å; M644-M674 HydrophobicContact CG-CE 4.33Å; M644-M674 HydrophobicContact CG-SD 4.2Å; M644-M674 CarbonylContact O-C 3.49Å; M644-M674 WeakPolarHBondContact O-CA 3.37Å; M644-A675 PolarHBondContact O-N 3.45Å; M644-Y757 VanDerWaalsContact CA-O 3.3Å; M644-Y757 WeakPolarHBondContact CA-O 3.29Å; M644-Y757 WeakPolarHBondContact CG-O 2.96Å; M644-L759 HydrophobicContact CE-CB 3.54Å; M644-A868 HydrophobicContact CE-CB 3.79Å |
| 645 | D | 95.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 152.3 | 163.7 | -170.7 | 14.2 | 0 | 0 | 0 | 110.2 | C647 K676 H677 N751 L755 Q758 L759 | D645-C647 PolarHBondContact OD2-SG 3.26Å; D645-K676 WeakPolarHBondContact OD1-CA 3.47Å; D645-H677 PolarHBondContact OD1-N 3.31Å; D645-H677 WeakPolarHBondContact OD2-CB 3.13Å; D645-H677 PolarHBondContact OD2-N 2.9Å; D645-N751 PolarHBondContact OD2-ND2 2.86Å; D645-N751 VanDerWaalsContact OD2-ND2 3.09Å; D645-L755 HydrophobicContact CB-CD1 3.43Å; D645-L755 VanDerWaalsContact CB-CD1 3.43Å; D645-L755 HydrophobicContact CB-CD2 4.43Å; D645-Q758 WeakPolarHBondContact O-CA 3.46Å; D645-L759 PolarHBondContact O-N 3.12Å |
| 646 | N | 94.8 | Very high | 80.4 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 110.7 | 169 | 71.6 | -34.1 | 0 | 0 | 0 | 110.7 | S660 A664 L667 M674 K676 L759 | N646-S660 PolarHBondContact ND2-O 3.4Å; N646-S660 PolarHBondContact OD1-O 2.96Å; N646-A664 WeakPolarHBondContact OD1-CB 3.35Å; N646-L667 HydrophobicContact CB-CD1 4.42Å; N646-M674 HydrophobicContact CB-CE 4.28Å; N646-M674 WeakPolarHBondContact OD1-CE 3.13Å; N646-K676 WeakPolarHBondContact O-CD 3.48Å; N646-K676 WeakPolarHBondContact O-CE 3.22Å; N646-K676 PolarHBondContact O-NZ 3.38Å; N646-K676 WeakPolarHBondContact OD1-CD 3.5Å; N646-K676 WeakPolarHBondContact OD1-CE 3.4Å; N646-L759 CarbonylContact C-O 3.42Å; N646-L759 WeakPolarHBondContact CA-O 3.42Å; N646-L759 HydrophobicContact CB-CB 4.01Å; N646-L759 HydrophobicContact CB-CD2 4.34Å |
| 647 | C | 88.9 | Confident | 80.7 | Confident | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 145.9 | -173.5 | 51.3 | 0 | 0 | 0 | 0 | 112 | D645 P748 L759 M760 G761 | D645-C647 PolarHBondContact OD2-SG 3.26Å; C647-P748 VanDerWaalsContact SG-CA 3.59Å; C647-P748 VanDerWaalsContact SG-CB 3.51Å; C647-L759 PolarHBondContact N-O 3.03Å; C647-M760 CarbonylContact O-C 3.53Å; C647-M760 VanDerWaalsContact O-CA 3.27Å; C647-M760 WeakPolarHBondContact O-CA 3.39Å; C647-G761 PolarHBondContact O-N 3.28Å |
| 648 | G | 83.7 | Confident | 81.6 | Confident | 21 Ų | 21 | 37 Ų | 37 | 22% | 0.216 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 161 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G650 P748 D793 | G648-G650 PolarHBondContact O-N 2.9Å; G648-P748 WeakPolarHBondContact O-CG 3.14Å; G648-D793 WeakPolarHBondContact CA-OD2 3.32Å |
| 649 | T | 78 | Confident | 82.4 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | trans | -60.1 | -22.7 | 172.1 | 43.4 | 0 | 0 | 0 | 0 | 113.3 | L745 P748 M760 G761 Y763 D793 | T649-L745 HydrophobicContact CG2-CD2 4.06Å; T649-P748 HydrophobicContact CG2-CG 4.25Å; T649-M760 HydrophobicContact CG2-CE 3.97Å; T649-G761 PolarHBondContact N-O 3.32Å; T649-G761 VanDerWaalsContact N-O 3.1Å; T649-Y763 VanDerWaalsContact OG1-CD1 3.24Å; T649-Y763 WeakPolarHBondContact OG1-CD1 3.42Å; T649-Y763 PolarHBondContact OG1-N 2.88Å; T649-D793 PolarHBondContact N-OD2 2.79Å; T649-D793 VanDerWaalsContact N-OD2 3.07Å | ||
| 650 | G | 70.7 | Confident | 83.2 | Confident | 35 Ų | 35 | 32.3 Ų | 32.3 | 36% | 0.361 | 20% | 0.204 | S | C | . | . | trans | 68 | 171.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G648 D793 | G648-G650 PolarHBondContact O-N 2.9Å; G650-D793 WeakPolarHBondContact CA-OD2 3.5Å; G650-D793 PolarHBondContact N-OD2 3.29Å | ||
| 651 | G | 60.9 | Low | 83.6 | Confident | 34 Ų | 34 | 30.4 Ų | 30.4 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | trans | 83.6 | 12.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.8 | H653 | G651-H653 PolarHBondContact O-CD2 3.43Å; G651-H653 PolarHBondContact O-N 3.19Å | ||
| 652 | D | 63.5 | Low | 84.1 | Confident | 35 Ų | 35 | 23.8 Ų | 23.8 | 19% | 0.187 | 15% | 0.151 | C | C | . | . | trans | -71.6 | -6.5 | 175.6 | 69.8 | -13.1 | 0 | 0 | 0 | 114.5 | S654 M792 | D652-S654 PolarHBondContact O-N 3.02Å; D652-S654 VanDerWaalsContact O-N 3.07Å; D652-S654 PolarHBondContact OD1-N 3.46Å; D652-S654 VanDerWaalsContact OD1-N 3.1Å; D652-S654 PolarHBondContact OD1-OG 3.16Å; D652-S654 WeakPolarHBondContact OD2-CB 3.15Å; D652-S654 PolarHBondContact OD2-OG 3.06Å; D652-M792 VanDerWaalsContact OD2-CG 3.28Å; D652-M792 WeakPolarHBondContact OD2-CG 3.39Å | ||
| 653 | H | 65.7 | Low | 84.4 | Confident | 135 Ų | 135 | 23.2 Ų | 23.2 | 63% | 0.625 | 15% | 0.145 | S | C | * | . | trans | 55.3 | 20.3 | -176.6 | -57.6 | -78.1 | 0 | 0 | 0 | 114.8 | G651 H655 | G651-H653 PolarHBondContact O-CD2 3.43Å; G651-H653 PolarHBondContact O-N 3.19Å; H653-H655 VanDerWaalsContact C-N 3.3Å; H653-H655 PolarHBondContact O-CD2 3.36Å; H653-H655 PolarHBondContact O-N 2.87Å | ||
| 654 | S | 67.7 | Low | 84.6 | Confident | 30 Ų | 30 | 23.2 Ų | 23.2 | 21% | 0.21 | 15% | 0.145 | C | C | . | . | trans | -74.5 | -18.8 | -174.7 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | D652 S656 | D652-S654 PolarHBondContact O-N 3.02Å; D652-S654 VanDerWaalsContact O-N 3.07Å; D652-S654 PolarHBondContact OD1-N 3.46Å; D652-S654 VanDerWaalsContact OD1-N 3.1Å; D652-S654 PolarHBondContact OD1-OG 3.16Å; D652-S654 WeakPolarHBondContact OD2-CB 3.15Å; D652-S654 PolarHBondContact OD2-OG 3.06Å; S654-S656 PolarHBondContact O-N 3.48Å; S654-S656 VanDerWaalsContact O-N 3.15Å; S654-S656 PolarHBondContact OG-N 2.86Å; S654-S656 PolarHBondContact OG-OG 3.12Å | ||
| 655 | H | 79.3 | Confident | 84.7 | Confident | 95 Ų | 95 | 23.4 Ų | 23.4 | 44% | 0.44 | 15% | 0.146 | S | C | . | . | trans | 54.2 | 26.4 | -174.5 | -55.5 | -61.8 | 0 | 0 | 0 | 113.9 | H653 G833 | H653-H655 VanDerWaalsContact C-N 3.3Å; H653-H655 PolarHBondContact O-CD2 3.36Å; H653-H655 PolarHBondContact O-N 2.87Å; H655-G833 PolarHBondContact O-N 3.04Å | ||
| 656 | S | 82.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 23.4 Ų | 23.4 | 13% | 0.126 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -61 | 162.3 | 174.1 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | S654 E794 I831 | S654-S656 PolarHBondContact O-N 3.48Å; S654-S656 VanDerWaalsContact O-N 3.15Å; S654-S656 PolarHBondContact OG-N 2.86Å; S654-S656 PolarHBondContact OG-OG 3.12Å; S656-E794 PolarHBondContact OG-OE2 2.86Å; S656-I831 WeakPolarHBondContact CA-O 3.46Å |
| 657 | F | 90 | Very high | 85 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | trans | -70.7 | 169.1 | 162.7 | 78.5 | -68.2 | 0 | 0 | 0 | 110.4 | I659 I831 I842 H854 V858 | F657-I659 HydrophobicContact CD1-CD1 4.11Å; F657-I659 HydrophobicContact CD1-CG1 3.56Å; F657-I659 HydrophobicContact CD2-CG1 4.42Å; F657-I659 HydrophobicContact CE1-CB 4.49Å; F657-I659 HydrophobicContact CE1-CD1 3.82Å; F657-I659 HydrophobicContact CE1-CG1 3.18Å; F657-I659 HydrophobicContact CE2-CG1 4.08Å; F657-I659 HydrophobicContact CG-CG1 4.22Å; F657-I659 HydrophobicContact CZ-CB 4.43Å; F657-I659 HydrophobicContact CZ-CG1 3.49Å; F657-I659 VanDerWaalsContact CZ-CG1 3.49Å; F657-I659 PolarHBondContact O-N 2.95Å; F657-I831 HydrophobicContact CD1-CB 4.38Å; F657-I831 WeakPolarHBondContact CD1-O 3.4Å; F657-I831 HydrophobicContact CE1-CB 4.27Å; F657-I831 PolarHBondContact N-O 2.77Å; F657-I831 VanDerWaalsContact N-O 3.12Å; F657-I842 HydrophobicContact CB-CD1 4.1Å; F657-I842 HydrophobicContact CB-CG2 4.35Å; F657-I842 HydrophobicContact CD2-CB 4.48Å; F657-I842 HydrophobicContact CD2-CG2 3.45Å; F657-I842 VanDerWaalsContact CD2-CG2 3.45Å; F657-I842 HydrophobicContact CE2-CG2 3.8Å; F657-I842 HydrophobicContact CG-CG2 3.96Å; F657-H854 AromaticContact CD1-CD2 3.46Å; F657-H854 VanDerWaalsContact CD1-CD2 3.46Å; F657-H854 WeakPolarHBondContact CD1-CD2 3.42Å; F657-H854 HydrophobicContact CE1-CB 4Å; F657-H854 AromaticContact CE1-CD2 3.57Å; F657-H854 HydrophobicContact CE2-CB 4.18Å; F657-H854 AromaticContact CG-CD2 3.82Å; F657-H854 HydrophobicContact CZ-CB 3.72Å; F657-H854 WeakPolarHBondContact CZ-O 3.36Å; F657-V858 HydrophobicContact CE2-CG2 3.79Å; F657-V858 HydrophobicContact CZ-CG2 3.68Å | ||
| 658 | N | 89.9 | Confident | 85.3 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 10% | 0.096 | 14% | 0.142 | C | C | . | . | trans | -75 | 71.6 | -175.8 | -62.7 | 75.1 | 0 | 0 | 0 | 112.7 | T661 T662 S686 G687 S688 I691 N839 | N658-T661 PolarHBondContact O-N 3.06Å; N658-T662 PolarHBondContact O-N 3.45Å; N658-T662 PolarHBondContact O-OG1 3.27Å; N658-S686 PolarHBondContact ND2-O 3.46Å; N658-S686 PolarHBondContact OD1-O 3.16Å; N658-S686 PolarHBondContact OD1-OG 2.92Å; N658-G687 PolarHBondContact ND2-O 2.9Å; N658-S688 PolarHBondContact ND2-N 3.38Å; N658-I691 HydrophobicContact CB-CD1 3.5Å; N658-I691 VanDerWaalsContact CB-CD1 3.5Å; N658-I691 WeakPolarHBondContact OD1-CD1 2.93Å; N658-N839 PolarHBondContact OD1-ND2 2.96Å | ||
| 659 | I | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.7 | -56.4 | -176 | -69.5 | 159.5 | 0 | 0 | 0 | 110.5 | F657 T661 T662 A663 M792 E794 I831 T857 N861 | F657-I659 HydrophobicContact CD1-CD1 4.11Å; F657-I659 HydrophobicContact CD1-CG1 3.56Å; F657-I659 HydrophobicContact CD2-CG1 4.42Å; F657-I659 HydrophobicContact CE1-CB 4.49Å; F657-I659 HydrophobicContact CE1-CD1 3.82Å; F657-I659 HydrophobicContact CE1-CG1 3.18Å; F657-I659 HydrophobicContact CE2-CG1 4.08Å; F657-I659 HydrophobicContact CG-CG1 4.22Å; F657-I659 HydrophobicContact CZ-CB 4.43Å; F657-I659 HydrophobicContact CZ-CG1 3.49Å; F657-I659 VanDerWaalsContact CZ-CG1 3.49Å; F657-I659 PolarHBondContact O-N 2.95Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 3.39Å; I659-T662 PolarHBondContact O-N 3.28Å; I659-T662 VanDerWaalsContact O-N 3.12Å; I659-A663 WeakPolarHBondContact O-CB 3.26Å; I659-A663 PolarHBondContact O-N 2.9Å; I659-M792 HydrophobicContact CD1-CE 3.63Å; I659-E794 HydrophobicContact CD1-CB 4.39Å; I659-E794 WeakPolarHBondContact CD1-OE2 3.37Å; I659-I831 HydrophobicContact CD1-CD1 4.27Å; I659-T857 HydrophobicContact CD1-CG2 3.7Å; I659-T857 HydrophobicContact CG1-CG2 4.1Å; I659-T857 HydrophobicContact CG2-CG2 4.36Å; I659-N861 HydrophobicContact CG2-CB 3.89Å; I659-N861 WeakPolarHBondContact CG2-ND2 3.49Å |
| 660 | S | 93.1 | Very high | 86.8 | Confident | 24 Ų | 24 | 21.9 Ų | 21.9 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.5 | -39.1 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | N646 A663 A664 | N646-S660 PolarHBondContact ND2-O 3.4Å; N646-S660 PolarHBondContact OD1-O 2.96Å; S660-A663 PolarHBondContact O-N 2.94Å; S660-A664 PolarHBondContact O-N 3.2Å |
| 661 | T | 93.1 | Very high | 88 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -40.1 | 178.4 | -55 | 0 | 0 | 0 | 0 | 111.5 | N658 I659 A664 F665 S688 L692 | N658-T661 PolarHBondContact O-N 3.06Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 3.39Å; T661-A664 WeakPolarHBondContact O-CB 3.39Å; T661-A664 PolarHBondContact O-N 2.9Å; T661-F665 HydrophobicContact CG2-CE2 4.39Å; T661-F665 VanDerWaalsContact O-CD2 3.31Å; T661-F665 WeakPolarHBondContact O-CD2 3.13Å; T661-S688 WeakPolarHBondContact OG1-CB 3.4Å; T661-L692 HydrophobicContact CG2-CD2 4.32Å; T661-L692 HydrophobicContact CG2-CG 4.44Å |
| 662 | T | 96.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 176.4 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | N658 I659 A664 F665 V666 L843 V846 L847 V858 | N658-T662 PolarHBondContact O-N 3.45Å; N658-T662 PolarHBondContact O-OG1 3.27Å; I659-T662 PolarHBondContact O-N 3.28Å; I659-T662 VanDerWaalsContact O-N 3.12Å; T662-A664 VanDerWaalsContact C-N 3.25Å; T662-A664 PolarHBondContact O-N 2.74Å; T662-F665 PolarHBondContact O-N 3.11Å; T662-V666 PolarHBondContact O-N 3.45Å; T662-L843 HydrophobicContact CG2-CG 4.12Å; T662-V846 HydrophobicContact CG2-CB 4.01Å; T662-V846 HydrophobicContact CG2-CG1 3.83Å; T662-L847 HydrophobicContact CG2-CD2 4.4Å; T662-V858 HydrophobicContact CG2-CG1 4.13Å; T662-V858 HydrophobicContact CG2-CG2 3.73Å |
| 663 | A | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -30.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I659 S660 F665 V666 L667 V858 N861 A862 | I659-A663 WeakPolarHBondContact O-CB 3.26Å; I659-A663 PolarHBondContact O-N 2.9Å; S660-A663 PolarHBondContact O-N 2.94Å; A663-F665 VanDerWaalsContact C-N 3.35Å; A663-F665 PolarHBondContact O-N 3.44Å; A663-V666 WeakPolarHBondContact O-CB 3.28Å; A663-V666 PolarHBondContact O-N 3.24Å; A663-V666 VanDerWaalsContact O-N 3.15Å; A663-L667 WeakPolarHBondContact O-CG 3.48Å; A663-L667 PolarHBondContact O-N 3.05Å; A663-V858 HydrophobicContact CB-CG1 4.46Å; A663-N861 HydrophobicContact CB-CB 4.41Å; A663-A862 HydrophobicContact CB-CB 4.21Å |
| 664 | A | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N646 S660 T661 T662 V666 L667 A668 M674 K676 I715 | N646-A664 WeakPolarHBondContact OD1-CB 3.35Å; S660-A664 PolarHBondContact O-N 3.2Å; T661-A664 WeakPolarHBondContact O-CB 3.39Å; T661-A664 PolarHBondContact O-N 2.9Å; T662-A664 VanDerWaalsContact C-N 3.25Å; T662-A664 PolarHBondContact O-N 2.74Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.95Å; A664-L667 PolarHBondContact O-N 3.04Å; A664-A668 WeakPolarHBondContact O-CB 3.44Å; A664-A668 PolarHBondContact O-N 3.27Å; A664-M674 HydrophobicContact CB-CE 4.19Å; A664-M674 WeakPolarHBondContact O-CG 3.3Å; A664-K676 HydrophobicContact CB-CD 3.84Å; A664-K676 HydrophobicContact CB-CG 4.35Å; A664-I715 HydrophobicContact CB-CD1 3.98Å |
| 665 | F | 97.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -34 | 175.2 | -70.9 | -70.1 | 0 | 0 | 0 | 112.2 | T661 T662 A663 G669 L692 I715 L843 L847 A891 R894 L895 L898 | T661-F665 HydrophobicContact CG2-CE2 4.39Å; T661-F665 VanDerWaalsContact O-CD2 3.31Å; T661-F665 WeakPolarHBondContact O-CD2 3.13Å; T662-F665 PolarHBondContact O-N 3.11Å; A663-F665 VanDerWaalsContact C-N 3.35Å; A663-F665 PolarHBondContact O-N 3.44Å; F665-G669 PolarHBondContact O-N 3.4Å; F665-L692 HydrophobicContact CE2-CD2 4.1Å; F665-L692 HydrophobicContact CZ-CD2 3.91Å; F665-I715 HydrophobicContact CD1-CD1 3.92Å; F665-I715 HydrophobicContact CD1-CG2 4.42Å; F665-I715 HydrophobicContact CE1-CD1 3.97Å; F665-I715 HydrophobicContact CE1-CG2 4.25Å; F665-I715 HydrophobicContact CG-CD1 4.39Å; F665-L843 HydrophobicContact CD2-CD1 4.32Å; F665-L843 HydrophobicContact CE2-CD1 4.22Å; F665-L847 HydrophobicContact CB-CD1 3.97Å; F665-L847 HydrophobicContact CB-CD2 3.95Å; F665-L847 HydrophobicContact CD2-CD1 4.4Å; F665-L847 HydrophobicContact CG-CD1 4.23Å; F665-A891 WeakPolarHBondContact O-CA 3.43Å; F665-R894 HydrophobicContact CD1-CB 4.43Å; F665-L895 HydrophobicContact CD1-CB 3.9Å; F665-L895 HydrophobicContact CE1-CB 3.89Å; F665-L895 HydrophobicContact CE1-CD1 3.84Å; F665-L895 HydrophobicContact CE1-CG 4.49Å; F665-L895 HydrophobicContact CE2-CD1 4.24Å; F665-L895 HydrophobicContact CG-CB 4.47Å; F665-L895 HydrophobicContact CZ-CB 4.43Å; F665-L895 HydrophobicContact CZ-CD1 3.63Å; F665-L898 HydrophobicContact CE1-CD2 3.97Å; F665-L898 HydrophobicContact CZ-CD2 4.15Å |
| 666 | V | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.2 | -45 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | T662 A663 A664 A668 G669 G670 L847 V858 A862 F866 A882 S885 I886 A891 | T662-V666 PolarHBondContact O-N 3.45Å; A663-V666 WeakPolarHBondContact O-CB 3.28Å; A663-V666 PolarHBondContact O-N 3.24Å; A663-V666 VanDerWaalsContact O-N 3.15Å; A664-V666 VanDerWaalsContact C-N 3.29Å; A664-V666 PolarHBondContact O-N 2.95Å; V666-A668 PolarHBondContact O-N 3.39Å; V666-G669 PolarHBondContact O-N 2.84Å; V666-G670 PolarHBondContact O-N 3.23Å; V666-L847 HydrophobicContact CG2-CD2 3.89Å; V666-V858 HydrophobicContact CG2-CG1 3.82Å; V666-A862 HydrophobicContact CB-CB 4.01Å; V666-A862 HydrophobicContact CG1-CB 3.76Å; V666-F866 HydrophobicContact CG1-CE2 4.38Å; V666-A882 HydrophobicContact CG1-CB 3.88Å; V666-A882 WeakPolarHBondContact CG1-O 3.45Å; V666-S885 PolarHBondContact O-OG 3.04Å; V666-I886 HydrophobicContact CG1-CD1 4.31Å; V666-I886 HydrophobicContact CG1-CG1 4.03Å; V666-I886 HydrophobicContact CG2-CD1 3.86Å; V666-I886 HydrophobicContact CG2-CG1 3.76Å; V666-A891 HydrophobicContact CB-CB 4.49Å; V666-A891 HydrophobicContact CG2-CB 4.23Å |
| 667 | L | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.2 | -43.9 | 175.4 | -67.2 | 167.1 | 0 | 0 | 0 | 111.9 | M644 N646 A663 A664 G669 G670 G671 I672 M674 A862 F866 | M644-L667 HydrophobicContact SD-CD1 4.44Å; N646-L667 HydrophobicContact CB-CD1 4.42Å; A663-L667 WeakPolarHBondContact O-CG 3.48Å; A663-L667 PolarHBondContact O-N 3.05Å; A664-L667 PolarHBondContact O-N 3.04Å; L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 3.37Å; L667-G670 WeakPolarHBondContact O-CA 3.38Å; L667-G670 PolarHBondContact O-N 3.15Å; L667-G670 VanDerWaalsContact O-N 3.15Å; L667-G671 PolarHBondContact O-N 3.01Å; L667-G671 VanDerWaalsContact O-N 3.14Å; L667-I672 HydrophobicContact CB-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CD1 3.83Å; L667-I672 PolarHBondContact O-N 2.9Å; L667-I672 VanDerWaalsContact O-N 3.08Å; L667-M674 HydrophobicContact CB-CE 4.43Å; L667-M674 HydrophobicContact CB-CG 4.08Å; L667-M674 HydrophobicContact CB-SD 3.64Å; L667-M674 HydrophobicContact CD1-CE 3.89Å; L667-M674 HydrophobicContact CD1-SD 4.01Å; L667-M674 HydrophobicContact CG-SD 4.47Å; L667-A862 WeakPolarHBondContact CD2-O 3.37Å; L667-F866 HydrophobicContact CD2-CD1 4.1Å; L667-F866 HydrophobicContact CD2-CD2 3.89Å; L667-F866 HydrophobicContact CD2-CE1 4.18Å; L667-F866 HydrophobicContact CD2-CE2 3.92Å; L667-F866 HydrophobicContact CD2-CG 3.96Å; L667-F866 HydrophobicContact CD2-CZ 4.09Å |
| 668 | A | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A664 V666 G670 G671 I672 M674 I715 R894 | A664-A668 WeakPolarHBondContact O-CB 3.44Å; A664-A668 PolarHBondContact O-N 3.27Å; V666-A668 PolarHBondContact O-N 3.39Å; A668-G670 VanDerWaalsContact C-N 3.29Å; A668-G671 WeakPolarHBondContact O-CA 3.23Å; A668-G671 PolarHBondContact O-N 3.14Å; A668-I672 VanDerWaalsContact CA-O 3.31Å; A668-I672 WeakPolarHBondContact CA-O 3.33Å; A668-M674 HydrophobicContact CB-CB 4.39Å; A668-M674 HydrophobicContact CB-CG 3.91Å; A668-I715 HydrophobicContact CB-CB 3.98Å; A668-I715 HydrophobicContact CB-CD1 4.32Å; A668-I715 HydrophobicContact CB-CG2 4.39Å; A668-R894 HydrophobicContact CB-CB 4.26Å; A668-R894 HydrophobicContact CB-CG 3.94Å; A668-R894 PolarHBondContact O-NE 3.12Å |
| 669 | G | 96.9 | Very high | 94.3 | Very high | 12 Ų | 12 | 11.3 Ų | 11.3 | 12% | 0.124 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F665 V666 L667 G671 S885 A890 | F665-G669 PolarHBondContact O-N 3.4Å; V666-G669 PolarHBondContact O-N 2.84Å; L667-G669 VanDerWaalsContact C-N 3.31Å; L667-G669 PolarHBondContact O-N 3.37Å; G669-G671 PolarHBondContact O-N 3.15Å; G669-S885 VanDerWaalsContact CA-OG 3.29Å; G669-S885 WeakPolarHBondContact CA-OG 3.34Å; G669-A890 WeakPolarHBondContact O-CB 3.44Å |
| 670 | G | 95.8 | Very high | 93.6 | Very high | 13 Ų | 13 | 16.1 Ų | 16.1 | 13% | 0.134 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.6 | -24.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V666 L667 A668 R871 S885 | V666-G670 PolarHBondContact O-N 3.23Å; L667-G670 WeakPolarHBondContact O-CA 3.38Å; L667-G670 PolarHBondContact O-N 3.15Å; L667-G670 VanDerWaalsContact O-N 3.15Å; A668-G670 VanDerWaalsContact C-N 3.29Å; G670-R871 PolarHBondContact O-NH1 3.31Å; G670-R871 PolarHBondContact O-NH2 2.83Å; G670-S885 PolarHBondContact N-OG 2.95Å |
| 671 | G | 94.5 | Very high | 92.4 | Very high | 42 Ų | 42 | 16.9 Ų | 16.9 | 43% | 0.433 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 108.2 | 15 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L667 A668 G669 | L667-G671 PolarHBondContact O-N 3.01Å; L667-G671 VanDerWaalsContact O-N 3.14Å; A668-G671 WeakPolarHBondContact O-CA 3.23Å; A668-G671 PolarHBondContact O-N 3.14Å; G669-G671 PolarHBondContact O-N 3.15Å |
| 672 | I | 95.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 6% | 0.062 | 14% | 0.144 | C | C | . | . | trans | -84.6 | 122.3 | 170.8 | -61.6 | 165.8 | 0 | 0 | 0 | 108.2 | M644 L667 A668 M674 F866 S869 | M644-I672 HydrophobicContact CB-CG2 3.61Å; M644-I672 HydrophobicContact CG-CG2 4.45Å; M644-I672 HydrophobicContact SD-CG2 4.17Å; L667-I672 HydrophobicContact CB-CD1 4.37Å; L667-I672 HydrophobicContact CD2-CD1 3.83Å; L667-I672 PolarHBondContact O-N 2.9Å; L667-I672 VanDerWaalsContact O-N 3.08Å; A668-I672 VanDerWaalsContact CA-O 3.31Å; A668-I672 WeakPolarHBondContact CA-O 3.33Å; I672-M674 HydrophobicContact CB-SD 4.43Å; I672-M674 HydrophobicContact CG2-SD 3.88Å; I672-M674 WeakPolarHBondContact O-CG 3.4Å; I672-M674 PolarHBondContact O-N 3.14Å; I672-F866 HydrophobicContact CD1-CD1 3.54Å; I672-F866 HydrophobicContact CD1-CE1 3.68Å; I672-F866 HydrophobicContact CD1-CG 4.49Å; I672-F866 HydrophobicContact CG1-CE1 4.38Å; I672-S869 WeakPolarHBondContact CD1-OG 3.45Å | ||
| 673 | P | 95.5 | Very high | 88.7 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | trans | -62.7 | 121 | 174.6 | -20.5 | 32 | 0 | 0 | 0 | 111.3 | P640 V643 M644 L710 G714 | P640-P673 HydrophobicContact CB-CB 4.42Å; P640-P673 HydrophobicContact CB-CG 4.44Å; P640-P673 HydrophobicContact CG-CB 3.88Å; P640-P673 HydrophobicContact CG-CG 4.41Å; V643-P673 WeakPolarHBondContact CA-O 3.02Å; V643-P673 HydrophobicContact CB-CB 4.49Å; M644-P673 PolarHBondContact N-O 2.84Å; P673-L710 HydrophobicContact CB-CD1 4.35Å; P673-G714 WeakPolarHBondContact CA-O 3.38Å | ||
| 674 | M | 96.4 | Very high | 87 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 110.8 | -173.6 | -67.6 | -57.2 | -59.4 | 0 | 0 | 112.8 | M644 N646 A664 L667 A668 I672 K676 L710 G714 I715 A716 | M644-M674 HydrophobicContact CB-CE 4.49Å; M644-M674 HydrophobicContact CB-SD 3.91Å; M644-M674 HydrophobicContact CG-CE 4.33Å; M644-M674 HydrophobicContact CG-SD 4.2Å; M644-M674 CarbonylContact O-C 3.49Å; M644-M674 WeakPolarHBondContact O-CA 3.37Å; N646-M674 HydrophobicContact CB-CE 4.28Å; N646-M674 WeakPolarHBondContact OD1-CE 3.13Å; A664-M674 HydrophobicContact CB-CE 4.19Å; A664-M674 WeakPolarHBondContact O-CG 3.3Å; L667-M674 HydrophobicContact CB-CE 4.43Å; L667-M674 HydrophobicContact CB-CG 4.08Å; L667-M674 HydrophobicContact CB-SD 3.64Å; L667-M674 HydrophobicContact CD1-CE 3.89Å; L667-M674 HydrophobicContact CD1-SD 4.01Å; L667-M674 HydrophobicContact CG-SD 4.47Å; A668-M674 HydrophobicContact CB-CB 4.39Å; A668-M674 HydrophobicContact CB-CG 3.91Å; I672-M674 HydrophobicContact CB-SD 4.43Å; I672-M674 HydrophobicContact CG2-SD 3.88Å; I672-M674 WeakPolarHBondContact O-CG 3.4Å; I672-M674 PolarHBondContact O-N 3.14Å; M674-K676 PolarHBondContact O-N 2.79Å; M674-L710 VanDerWaalsContact O-CD1 3.23Å; M674-L710 WeakPolarHBondContact O-CD1 3.29Å; M674-G714 PolarHBondContact N-O 3.21Å; M674-I715 HydrophobicContact CB-CB 4.09Å; M674-I715 HydrophobicContact CB-CD1 3.87Å; M674-I715 HydrophobicContact CB-CG1 3.75Å; M674-I715 CarbonylContact O-C 3.57Å; M674-I715 VanDerWaalsContact O-CA 3.3Å; M674-I715 WeakPolarHBondContact O-CA 3.34Å; M674-A716 PolarHBondContact O-N 3.03Å |
| 675 | A | 94.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 71.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V643 M644 H677 L710 L718 N751 Y753 L755 | V643-A675 HydrophobicContact CG2-CB 3.67Å; M644-A675 PolarHBondContact O-N 3.45Å; A675-H677 PolarHBondContact O-N 3.09Å; A675-H677 VanDerWaalsContact O-N 3.12Å; A675-L710 HydrophobicContact CB-CD2 4.32Å; A675-L718 HydrophobicContact CB-CD1 4.04Å; A675-N751 PolarHBondContact O-ND2 3.05Å; A675-Y753 HydrophobicContact CB-CD2 3.68Å; A675-Y753 HydrophobicContact CB-CE2 4.21Å; A675-Y753 HydrophobicContact CB-CG 4.43Å; A675-L755 HydrophobicContact CB-CD2 4.21Å |
| 676 | K | 92.5 | Very high | 84 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 107.1 | -168.5 | -178 | 71.2 | -177.6 | 89.6 | 0 | 111.8 | D645 N646 A664 M674 A716 F717 L718 | D645-K676 WeakPolarHBondContact OD1-CA 3.47Å; N646-K676 WeakPolarHBondContact O-CD 3.48Å; N646-K676 WeakPolarHBondContact O-CE 3.22Å; N646-K676 PolarHBondContact O-NZ 3.38Å; N646-K676 WeakPolarHBondContact OD1-CD 3.5Å; N646-K676 WeakPolarHBondContact OD1-CE 3.4Å; A664-K676 HydrophobicContact CB-CD 3.84Å; A664-K676 HydrophobicContact CB-CG 4.35Å; M674-K676 PolarHBondContact O-N 2.79Å; K676-A716 PolarHBondContact N-O 2.93Å; K676-F717 HydrophobicContact CB-CD2 4.48Å; K676-F717 HydrophobicContact CG-CD2 4.22Å; K676-F717 WeakPolarHBondContact O-CD2 3.27Å; K676-L718 PolarHBondContact O-N 3.12Å |
| 677 | H | 89.7 | Confident | 83 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 143 | 172.9 | -158.6 | -147.6 | 0 | 0 | 0 | 110.6 | D645 A675 L718 A720 H724 G747 | D645-H677 PolarHBondContact OD1-N 3.31Å; D645-H677 WeakPolarHBondContact OD2-CB 3.13Å; D645-H677 PolarHBondContact OD2-N 2.9Å; A675-H677 PolarHBondContact O-N 3.09Å; A675-H677 VanDerWaalsContact O-N 3.12Å; H677-L718 PolarHBondContact CD2-O 3.4Å; H677-L718 VanDerWaalsContact CD2-O 3.29Å; H677-A720 VanDerWaalsContact NE2-CA 3.28Å; H677-A720 WeakPolarHBondContact NE2-CA 3.22Å; H677-A720 WeakPolarHBondContact NE2-CB 3.48Å; H677-H724 AromaticContact CE1-CD2 3.82Å; H677-H724 AromaticContact CE1-NE2 3.74Å; H677-H724 AromaticContact NE2-CD2 3.62Å; H677-H724 AromaticContact NE2-NE2 3.58Å; H677-G747 PolarHBondContact ND1-O 3.16Å |
| 678 | G | 85.5 | Confident | 82.2 | Confident | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | 172 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L718 A720 | G678-L718 PolarHBondContact N-O 2.8Å; G678-A720 WeakPolarHBondContact O-CB 3.42Å; G678-A720 PolarHBondContact O-N 3.4Å |
| 679 | N | 82.9 | Confident | 81.6 | Confident | 66 Ų | 66 | 36.7 Ų | 36.7 | 35% | 0.353 | 21% | 0.211 | S | C | . | . | trans | -141.6 | 170.9 | -177.4 | -156.3 | -9 | 0 | 0 | 0 | 110.8 | S688 P721 | N679-S688 PolarHBondContact O-N 2.99Å; N679-S688 PolarHBondContact O-OG 3.06Å; N679-P721 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 680 | R | 80.2 | Confident | 81.1 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 39% | 0.385 | 21% | 0.213 | S | C | . | . | trans | -69.4 | 159.8 | 166.7 | -67.1 | -174.8 | -178.8 | -83.2 | 4.5 | 110.3 | A689 D690 E693 F719 | R680-A689 HydrophobicContact CG-CB 3.68Å; R680-D690 IonicContact CZ-OD1 3.69Å; R680-D690 IonicContact NH1-OD1 2.82Å; R680-D690 PolarHBondContact NH1-OD1 3.26Å; R680-E693 IonicContact CZ-OE2 3.35Å; R680-E693 VanDerWaalsContact CZ-OE2 3.26Å; R680-E693 IonicContact NH1-OE2 3.86Å; R680-E693 PolarHBondContact NH1-OE2 2.99Å; R680-E693 IonicContact NH2-OE2 2.97Å; R680-E693 PolarHBondContact NH2-OE2 3.1Å; R680-F719 HydrophobicContact CG-CE2 4Å; R680-F719 HydrophobicContact CG-CZ 4.12Å | ||
| 681 | S | 67.8 | Low | 80.9 | Confident | 39 Ų | 39 | 37.1 Ų | 37.1 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | trans | -60.9 | 141.5 | 179.7 | -171 | 0 | 0 | 0 | 0 | 112.8 | S684 D690 | S681-S684 WeakPolarHBondContact CB-O 3.33Å; S681-S684 WeakPolarHBondContact OG-CA 3.44Å; S681-S684 PolarHBondContact OG-N 3.36Å; S681-S684 PolarHBondContact OG-O 3.44Å; S681-S684 PolarHBondContact OG-OG 2.88Å; S681-S684 VanDerWaalsContact OG-OG 3.11Å; S681-D690 PolarHBondContact N-OD2 3.1Å; S681-D690 VanDerWaalsContact N-OD2 3.17Å | ||
| 682 | I | 59.2 | Low | 80.7 | Confident | 160 Ų | 160 | 35.3 Ų | 35.3 | 82% | 0.821 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -110.6 | -39.2 | 164.5 | -57.2 | 174.8 | 0 | 0 | 0 | 110.6 | ||
| 683 | S | 52 | Low | 80.4 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -122.5 | -21 | -174.1 | 59.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 684 | S | 60.2 | Low | 80.1 | Confident | 41 Ų | 41 | 40.2 Ų | 40.2 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -95.4 | 173.8 | 179 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | S681 S686 | S681-S684 WeakPolarHBondContact CB-O 3.33Å; S681-S684 WeakPolarHBondContact OG-CA 3.44Å; S681-S684 PolarHBondContact OG-N 3.36Å; S681-S684 PolarHBondContact OG-O 3.44Å; S681-S684 PolarHBondContact OG-OG 2.88Å; S681-S684 VanDerWaalsContact OG-OG 3.11Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.03Å; S684-S686 PolarHBondContact OG-O 3.23Å |
| 685 | K | 62.8 | Low | 79.9 | Confident | 164 Ų | 164 | 41 Ų | 41 | 71% | 0.713 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -73.9 | -19 | 177.7 | -72 | -177.4 | 179.5 | 178.4 | 0 | 113.6 | G834 | K685-G834 WeakPolarHBondContact CB-O 3.4Š|
| 686 | S | 69.5 | Low | 79.6 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | trans | -158.3 | 135.6 | 174.9 | 67.1 | 0 | 0 | 0 | 0 | 112 | N658 S684 N839 | N658-S686 PolarHBondContact ND2-O 3.46Å; N658-S686 PolarHBondContact OD1-O 3.16Å; N658-S686 PolarHBondContact OD1-OG 2.92Å; S684-S686 VanDerWaalsContact C-N 3.3Å; S684-S686 PolarHBondContact O-N 3.03Å; S684-S686 PolarHBondContact OG-O 3.23Å; S686-N839 PolarHBondContact OG-ND2 3.4Å | ||
| 687 | G | 77.4 | Confident | 79.5 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | -88.4 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | N658 A689 D690 I691 | N658-G687 PolarHBondContact ND2-O 2.9Å; G687-A689 VanDerWaalsContact C-N 3.33Å; G687-A689 PolarHBondContact O-N 3.19Å; G687-D690 WeakPolarHBondContact CA-OD2 3.49Å; G687-D690 PolarHBondContact N-OD2 2.76Å; G687-D690 PolarHBondContact O-N 3.24Å; G687-I691 PolarHBondContact O-N 3.38Å | ||
| 688 | S | 81.5 | Confident | 79.4 | Confident | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 178.2 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | N658 T661 N679 D690 I691 L692 F717 | N658-S688 PolarHBondContact ND2-N 3.38Å; T661-S688 WeakPolarHBondContact OG1-CB 3.4Å; N679-S688 PolarHBondContact O-N 2.99Å; N679-S688 PolarHBondContact O-OG 3.06Å; S688-D690 VanDerWaalsContact C-N 3.3Å; S688-D690 PolarHBondContact O-N 2.95Å; S688-I691 PolarHBondContact O-N 3.36Å; S688-L692 WeakPolarHBondContact O-CB 3.15Å; S688-L692 VanDerWaalsContact O-CG 3.22Å; S688-L692 WeakPolarHBondContact O-CG 3.41Å; S688-L692 PolarHBondContact O-N 2.92Å; S688-L692 VanDerWaalsContact O-N 3.07Å; S688-F717 WeakPolarHBondContact OG-CE2 3.44Å |
| 689 | A | 85 | Confident | 79.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R680 G687 I691 L692 E693 L699 F717 F719 | R680-A689 HydrophobicContact CG-CB 3.68Å; G687-A689 VanDerWaalsContact C-N 3.33Å; G687-A689 PolarHBondContact O-N 3.19Å; A689-I691 PolarHBondContact O-N 3.44Å; A689-L692 PolarHBondContact O-N 2.92Å; A689-E693 WeakPolarHBondContact O-CB 3.4Å; A689-E693 PolarHBondContact O-N 3.49Å; A689-L699 HydrophobicContact CB-CD1 3.78Å; A689-L699 HydrophobicContact CB-CD2 4.03Å; A689-L699 WeakPolarHBondContact O-CD2 3.37Å; A689-F717 HydrophobicContact CB-CE1 4.17Å; A689-F717 HydrophobicContact CB-CZ 4.1Å; A689-F719 HydrophobicContact CB-CD2 4.06Å; A689-F719 HydrophobicContact CB-CE2 3.85Å |
| 690 | D | 86.2 | Confident | 79.4 | Confident | 33 Ų | 33 | 47.9 Ų | 47.9 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | -175.9 | -53.7 | -49.9 | 0 | 0 | 0 | 111.5 | R680 S681 G687 S688 V694 A836 | R680-D690 IonicContact CZ-OD1 3.69Å; R680-D690 IonicContact NH1-OD1 2.82Å; R680-D690 PolarHBondContact NH1-OD1 3.26Å; S681-D690 PolarHBondContact N-OD2 3.1Å; S681-D690 VanDerWaalsContact N-OD2 3.17Å; G687-D690 WeakPolarHBondContact CA-OD2 3.49Å; G687-D690 PolarHBondContact N-OD2 2.76Å; G687-D690 PolarHBondContact O-N 3.24Å; S688-D690 VanDerWaalsContact C-N 3.3Å; S688-D690 PolarHBondContact O-N 2.95Å; D690-V694 WeakPolarHBondContact O-CG2 3.31Å; D690-V694 PolarHBondContact O-N 2.86Å; D690-A836 HydrophobicContact CB-CB 4.22Å |
| 691 | I | 90 | Very high | 79.6 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.9 | -43.2 | 176.6 | -67.7 | 169.6 | 0 | 0 | 0 | 111.9 | N658 G687 S688 A689 E693 V694 L695 A836 N839 K840 L843 | N658-I691 HydrophobicContact CB-CD1 3.5Å; N658-I691 VanDerWaalsContact CB-CD1 3.5Å; N658-I691 WeakPolarHBondContact OD1-CD1 2.93Å; G687-I691 PolarHBondContact O-N 3.38Å; S688-I691 PolarHBondContact O-N 3.36Å; A689-I691 PolarHBondContact O-N 3.44Å; I691-E693 VanDerWaalsContact C-N 3.26Å; I691-E693 PolarHBondContact O-N 3.17Å; I691-V694 CarbonylContact O-C 3.44Å; I691-V694 PolarHBondContact O-N 3Å; I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.34Å; I691-L695 WeakPolarHBondContact O-CG 3.42Å; I691-L695 PolarHBondContact O-N 3.13Å; I691-A836 HydrophobicContact CG1-CB 4.47Å; I691-N839 HydrophobicContact CD1-CB 3.29Å; I691-N839 HydrophobicContact CG1-CB 3.9Å; I691-K840 HydrophobicContact CG2-CB 4.42Å; I691-L843 HydrophobicContact CG2-CD1 4.24Å |
| 692 | L | 90 | Very high | 80.5 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | -179.5 | -67.9 | 172.7 | 0 | 0 | 0 | 110.6 | T661 F665 S688 A689 V694 L695 G696 I697 L699 F717 | T661-L692 HydrophobicContact CG2-CD2 4.32Å; T661-L692 HydrophobicContact CG2-CG 4.44Å; F665-L692 HydrophobicContact CE2-CD2 4.1Å; F665-L692 HydrophobicContact CZ-CD2 3.91Å; S688-L692 WeakPolarHBondContact O-CB 3.15Å; S688-L692 VanDerWaalsContact O-CG 3.22Å; S688-L692 WeakPolarHBondContact O-CG 3.41Å; S688-L692 PolarHBondContact O-N 2.92Å; S688-L692 VanDerWaalsContact O-N 3.07Å; A689-L692 PolarHBondContact O-N 2.92Å; L692-V694 PolarHBondContact O-N 2.89Å; L692-L695 HydrophobicContact CD2-CD1 4.39Å; L692-L695 CarbonylContact O-C 3.56Å; L692-L695 WeakPolarHBondContact O-CA 3.38Å; L692-L695 WeakPolarHBondContact O-CB 3.18Å; L692-L695 PolarHBondContact O-N 3.21Å; L692-L695 VanDerWaalsContact O-N 3.13Å; L692-G696 PolarHBondContact O-N 3.41Å; L692-I697 HydrophobicContact CB-CB 4.11Å; L692-I697 HydrophobicContact CB-CD1 4.3Å; L692-I697 HydrophobicContact CB-CG2 4.36Å; L692-I697 HydrophobicContact CD2-CD1 3.55Å; L692-I697 HydrophobicContact CG-CD1 4.49Å; L692-I697 VanDerWaalsContact O-CB 3.3Å; L692-I697 WeakPolarHBondContact O-CB 3.27Å; L692-I697 PolarHBondContact O-N 3.35Å; L692-L699 HydrophobicContact CB-CD2 4.1Å; L692-F717 HydrophobicContact CD1-CB 3.77Å; L692-F717 HydrophobicContact CD1-CD1 3.78Å; L692-F717 HydrophobicContact CD1-CD2 3.19Å; L692-F717 HydrophobicContact CD1-CE1 4.13Å; L692-F717 HydrophobicContact CD1-CE2 3.59Å; L692-F717 HydrophobicContact CD1-CG 3.27Å; L692-F717 HydrophobicContact CD1-CZ 4.04Å |
| 693 | E | 90 | Very high | 81.8 | Confident | 99 Ų | 99 | 38.6 Ų | 38.6 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | 173.8 | -166.8 | 172.7 | 170.2 | 0 | 0 | 112 | R680 A689 I691 L695 G696 L699 | R680-E693 IonicContact CZ-OE2 3.35Å; R680-E693 VanDerWaalsContact CZ-OE2 3.26Å; R680-E693 IonicContact NH1-OE2 3.86Å; R680-E693 PolarHBondContact NH1-OE2 2.99Å; R680-E693 IonicContact NH2-OE2 2.97Å; R680-E693 PolarHBondContact NH2-OE2 3.1Å; A689-E693 WeakPolarHBondContact O-CB 3.4Å; A689-E693 PolarHBondContact O-N 3.49Å; I691-E693 VanDerWaalsContact C-N 3.26Å; I691-E693 PolarHBondContact O-N 3.17Å; E693-L695 PolarHBondContact O-N 3.4Å; E693-G696 WeakPolarHBondContact O-CA 3.43Å; E693-G696 PolarHBondContact O-N 3.07Å; E693-L699 HydrophobicContact CB-CD1 4.33Å |
| 694 | V | 90.2 | Very high | 83.5 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.9 | -20.5 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | D690 I691 L692 G696 A836 E837 K840 | D690-V694 WeakPolarHBondContact O-CG2 3.31Å; D690-V694 PolarHBondContact O-N 2.86Å; I691-V694 CarbonylContact O-C 3.44Å; I691-V694 PolarHBondContact O-N 3Å; L692-V694 PolarHBondContact O-N 2.89Å; V694-G696 VanDerWaalsContact C-N 3.25Å; V694-A836 HydrophobicContact CB-CB 4.42Å; V694-A836 HydrophobicContact CG2-CB 3.66Å; V694-E837 HydrophobicContact CG1-CG 4.18Å; V694-K840 HydrophobicContact CG1-CD 3.66Å; V694-K840 PolarHBondContact O-NZ 3.42Å |
| 695 | L | 90.7 | Very high | 84.9 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.2 | 168.3 | -73.3 | 166.7 | 0 | 0 | 0 | 112.9 | I691 L692 E693 I697 K840 L843 L844 L895 I899 | I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.34Å; I691-L695 WeakPolarHBondContact O-CG 3.42Å; I691-L695 PolarHBondContact O-N 3.13Å; L692-L695 HydrophobicContact CD2-CD1 4.39Å; L692-L695 CarbonylContact O-C 3.56Å; L692-L695 WeakPolarHBondContact O-CA 3.38Å; L692-L695 WeakPolarHBondContact O-CB 3.18Å; L692-L695 PolarHBondContact O-N 3.21Å; L692-L695 VanDerWaalsContact O-N 3.13Å; E693-L695 PolarHBondContact O-N 3.4Å; L695-I697 HydrophobicContact CB-CD1 4.33Å; L695-K840 HydrophobicContact CD2-CD 3.9Å; L695-K840 HydrophobicContact CD2-CG 3.76Å; L695-K840 HydrophobicContact CG-CD 4.29Å; L695-K840 HydrophobicContact CG-CG 4.27Å; L695-L843 HydrophobicContact CD1-CD1 4.26Å; L695-L843 HydrophobicContact CD1-CD2 4.27Å; L695-L844 HydrophobicContact CD2-CD2 4.33Å; L695-L895 HydrophobicContact CD1-CD1 3.98Å; L695-L895 HydrophobicContact CD2-CD2 4.23Å; L695-I899 WeakPolarHBondContact O-CD1 3.48Å |
| 696 | G | 88.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 34.2 Ų | 34.2 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 15.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L692 E693 V694 | L692-G696 PolarHBondContact O-N 3.41Å; E693-G696 WeakPolarHBondContact O-CA 3.43Å; E693-G696 PolarHBondContact O-N 3.07Å; V694-G696 VanDerWaalsContact C-N 3.25Å |
| 697 | I | 89.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -90.8 | 123.8 | -179.9 | -62.3 | 166.6 | 0 | 0 | 0 | 108.9 | L692 L695 L699 L895 L898 I899 Q902 | L692-I697 HydrophobicContact CB-CB 4.11Å; L692-I697 HydrophobicContact CB-CD1 4.3Å; L692-I697 HydrophobicContact CB-CG2 4.36Å; L692-I697 HydrophobicContact CD2-CD1 3.55Å; L692-I697 HydrophobicContact CG-CD1 4.49Å; L692-I697 VanDerWaalsContact O-CB 3.3Å; L692-I697 WeakPolarHBondContact O-CB 3.27Å; L692-I697 PolarHBondContact O-N 3.35Å; L695-I697 HydrophobicContact CB-CD1 4.33Å; I697-L699 PolarHBondContact O-N 3.21Å; I697-L895 HydrophobicContact CD1-CD1 4.09Å; I697-L898 HydrophobicContact CD1-CD2 3.69Å; I697-L898 HydrophobicContact CD1-CG 4.11Å; I697-L898 HydrophobicContact CG1-CG 4.49Å; I697-I899 HydrophobicContact CD1-CG1 4.25Å; I697-I899 HydrophobicContact CG1-CG1 3.86Å; I697-Q902 VanDerWaalsContact CA-OE1 3.25Å | ||
| 698 | T | 87.5 | Confident | 87.7 | Confident | 82 Ų | 82 | 38.3 Ų | 38.3 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | trans | -71.6 | 123.9 | 174.3 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | V701 Q902 | T698-V701 HydrophobicContact CG2-CG1 4.12Å; T698-Q902 PolarHBondContact O-NE2 3.05Å | ||
| 699 | L | 85.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 37.9 Ų | 37.9 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -80.2 | -37.5 | -174.1 | -57.9 | 175.8 | 0 | 0 | 0 | 113.5 | A689 L692 E693 I697 F717 F719 | A689-L699 HydrophobicContact CB-CD1 3.78Å; A689-L699 HydrophobicContact CB-CD2 4.03Å; A689-L699 WeakPolarHBondContact O-CD2 3.37Å; L692-L699 HydrophobicContact CB-CD2 4.1Å; E693-L699 HydrophobicContact CB-CD1 4.33Å; I697-L699 PolarHBondContact O-N 3.21Å; L699-F717 HydrophobicContact CD2-CD1 3.93Å; L699-F717 HydrophobicContact CD2-CE1 3.78Å; L699-F719 HydrophobicContact CB-CG 4.41Å |
| 700 | T | 83.2 | Confident | 88.5 | Confident | 89 Ų | 89 | 38 Ų | 38 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | trans | -101.6 | 99.9 | -178 | -54.8 | 0 | 0 | 0 | 0 | 108.9 | T722 | T700-T722 HydrophobicContact CG2-CG2 4.09Š| ||
| 701 | V | 84.7 | Confident | 88.7 | Confident | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | trans | -124.1 | 156 | 177 | -70.6 | 0 | 0 | 0 | 0 | 109.5 | T698 K705 I706 | T698-V701 HydrophobicContact CG2-CG1 4.12Å; V701-K705 HydrophobicContact CB-CB 4.18Å; V701-K705 HydrophobicContact CB-CD 4.01Å; V701-K705 HydrophobicContact CB-CG 4.06Å; V701-K705 HydrophobicContact CG1-CD 3.85Å; V701-K705 HydrophobicContact CG1-CG 4.27Å; V701-I706 HydrophobicContact CG2-CD1 4.24Å; V701-I706 HydrophobicContact CG2-CG1 3.51Å | ||
| 702 | S | 87.3 | Confident | 88.7 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | trans | -68.6 | 155.3 | 177.8 | 81 | 0 | 0 | 0 | 0 | 111 | E704 K705 I706 | S702-E704 VanDerWaalsContact C-N 3.25Å; S702-E704 WeakPolarHBondContact CB-OE2 3.42Å; S702-E704 PolarHBondContact O-N 3.37Å; S702-E704 PolarHBondContact OG-OE2 3.49Å; S702-K705 WeakPolarHBondContact O-CA 3.27Å; S702-K705 WeakPolarHBondContact O-CB 3.42Å; S702-K705 PolarHBondContact O-N 2.98Å; S702-K705 PolarHBondContact OG-N 2.78Å; S702-I706 PolarHBondContact O-N 3.48Å | ||
| 703 | P | 86.3 | Confident | 88.9 | Confident | 30 Ų | 30 | 48 Ų | 48 | 20% | 0.195 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.1 | -42.1 | 176.5 | -28.5 | 37.3 | 0 | 0 | 0 | 113.3 | T634 M636 K705 I706 D707 | T634-P703 HydrophobicContact CG2-CG 3.56Å; M636-P703 HydrophobicContact CE-CB 3.82Å; M636-P703 HydrophobicContact CE-CG 3.9Å; M636-P703 HydrophobicContact SD-CB 4.26Å; P703-K705 PolarHBondContact O-N 2.89Å; P703-I706 WeakPolarHBondContact O-CA 3.3Å; P703-I706 WeakPolarHBondContact O-CB 3.36Å; P703-I706 PolarHBondContact O-N 3.19Å; P703-D707 PolarHBondContact O-N 2.73Å |
| 704 | E | 87.8 | Confident | 89 | Confident | 118 Ų | 118 | 43.8 Ų | 43.8 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.7 | -35.4 | 178.7 | -54.1 | 75.1 | -163.1 | 0 | 0 | 111.7 | S702 Y708 | S702-E704 VanDerWaalsContact C-N 3.25Å; S702-E704 WeakPolarHBondContact CB-OE2 3.42Å; S702-E704 PolarHBondContact O-N 3.37Å; S702-E704 PolarHBondContact OG-OE2 3.49Å; E704-Y708 WeakPolarHBondContact O-CB 3.44Å; E704-Y708 PolarHBondContact O-N 3.49Å |
| 705 | K | 88.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | 175.1 | -174.7 | 163.3 | 180 | 163.1 | 0 | 111.2 | V701 S702 P703 D707 Y708 L709 Q902 A905 | V701-K705 HydrophobicContact CB-CB 4.18Å; V701-K705 HydrophobicContact CB-CD 4.01Å; V701-K705 HydrophobicContact CB-CG 4.06Å; V701-K705 HydrophobicContact CG1-CD 3.85Å; V701-K705 HydrophobicContact CG1-CG 4.27Å; S702-K705 WeakPolarHBondContact O-CA 3.27Å; S702-K705 WeakPolarHBondContact O-CB 3.42Å; S702-K705 PolarHBondContact O-N 2.98Å; S702-K705 PolarHBondContact OG-N 2.78Å; P703-K705 PolarHBondContact O-N 2.89Å; K705-D707 VanDerWaalsContact C-N 3.33Å; K705-D707 PolarHBondContact O-N 2.9Å; K705-Y708 PolarHBondContact O-N 3.37Å; K705-L709 HydrophobicContact CG-CD1 4.25Å; K705-L709 HydrophobicContact CG-CG 4.42Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 3.01Å; K705-Q902 WeakPolarHBondContact CE-O 3.19Å; K705-Q902 PolarHBondContact NZ-O 2.69Å; K705-A905 HydrophobicContact CD-CB 4.02Å; K705-A905 WeakPolarHBondContact CE-O 3.34Å; K705-A905 HydrophobicContact CG-CB 4.11Å; K705-A905 PolarHBondContact NZ-O 3.06Å |
| 706 | I | 90 | Very high | 89.3 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.1 | -48.2 | 172.8 | -63.4 | 175.4 | 0 | 0 | 0 | 109.9 | M636 V701 S702 P703 Y708 L709 L710 A716 L718 L723 Y753 | M636-I706 HydrophobicContact SD-CB 4.48Å; M636-I706 HydrophobicContact SD-CD1 4.09Å; M636-I706 HydrophobicContact SD-CG2 4.29Å; V701-I706 HydrophobicContact CG2-CD1 4.24Å; V701-I706 HydrophobicContact CG2-CG1 3.51Å; S702-I706 PolarHBondContact O-N 3.48Å; P703-I706 WeakPolarHBondContact O-CA 3.3Å; P703-I706 WeakPolarHBondContact O-CB 3.36Å; P703-I706 PolarHBondContact O-N 3.19Å; I706-Y708 PolarHBondContact O-N 3.18Å; I706-L709 PolarHBondContact O-N 3.49Å; I706-L710 WeakPolarHBondContact O-CB 3.16Å; I706-L710 PolarHBondContact O-N 2.9Å; I706-A716 HydrophobicContact CG2-CB 3.91Å; I706-L718 HydrophobicContact CG2-CD1 3.99Å; I706-L718 HydrophobicContact CG2-CG 4.22Å; I706-L723 HydrophobicContact CD1-CD2 4.29Å; I706-Y753 HydrophobicContact CG2-CE2 4Å |
| 707 | D | 88.5 | Confident | 89.5 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.7 | -75.5 | -59.1 | 0 | 0 | 0 | 112.7 | L637 P703 K705 L709 L710 K711 Y753 | L637-D707 HydrophobicContact CB-CB 4.47Å; L637-D707 VanDerWaalsContact CB-CG 3.48Å; L637-D707 WeakPolarHBondContact CB-OD2 3.46Å; L637-D707 HydrophobicContact CD1-CB 4.03Å; L637-D707 WeakPolarHBondContact CD1-OD2 3.38Å; L637-D707 WeakPolarHBondContact CG-OD2 3.44Å; L637-D707 PolarHBondContact N-OD2 3.2Å; L637-D707 VanDerWaalsContact N-OD2 3.1Å; P703-D707 PolarHBondContact O-N 2.73Å; K705-D707 VanDerWaalsContact C-N 3.33Å; K705-D707 PolarHBondContact O-N 2.9Å; D707-L709 PolarHBondContact O-N 3.23Å; D707-L710 PolarHBondContact O-N 3.47Å; D707-K711 WeakPolarHBondContact O-CB 3.32Å; D707-K711 PolarHBondContact O-N 2.93Å; D707-Y753 WeakPolarHBondContact OD1-CE1 3.21Å; D707-Y753 PolarHBondContact OD1-OH 3.49Å |
| 708 | Y | 90.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 39 Ų | 39 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58 | -46.8 | 174.1 | 172.4 | -96.1 | 0 | 0 | 0 | 111.8 | E704 K705 I706 K711 E712 K901 E904 A905 | E704-Y708 WeakPolarHBondContact O-CB 3.44Å; E704-Y708 PolarHBondContact O-N 3.49Å; K705-Y708 PolarHBondContact O-N 3.37Å; I706-Y708 PolarHBondContact O-N 3.18Å; Y708-K711 PolarHBondContact O-N 2.97Å; Y708-E712 HydrophobicContact CD2-CG 3.87Å; Y708-E712 HydrophobicContact CE2-CB 4.49Å; Y708-E712 HydrophobicContact CE2-CG 3.59Å; Y708-E712 HydrophobicContact CG-CG 4.46Å; Y708-E712 WeakPolarHBondContact O-CB 3.46Å; Y708-E712 WeakPolarHBondContact O-CG 3.41Å; Y708-E712 PolarHBondContact O-N 3.31Å; Y708-K901 HydrophobicContact CE1-CB 4.07Å; Y708-K901 HydrophobicContact CE1-CD 4.26Å; Y708-K901 WeakPolarHBondContact OH-CD 3.5Å; Y708-E904 PolarHBondContact OH-OE2 3.41Å; Y708-A905 HydrophobicContact CD1-CB 3.73Å; Y708-A905 HydrophobicContact CE1-CB 3.72Å |
| 709 | L | 92.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -43.9 | 179.7 | -65.9 | 170.4 | 0 | 0 | 0 | 111.6 | K705 I706 D707 K711 E712 A713 G714 A716 L898 K901 Q902 | K705-L709 HydrophobicContact CG-CD1 4.25Å; K705-L709 HydrophobicContact CG-CG 4.42Å; K705-L709 WeakPolarHBondContact O-CG 3.42Å; K705-L709 PolarHBondContact O-N 3.01Å; I706-L709 PolarHBondContact O-N 3.49Å; D707-L709 PolarHBondContact O-N 3.23Å; L709-K711 VanDerWaalsContact C-N 3.28Å; L709-K711 PolarHBondContact O-N 3.47Å; L709-E712 PolarHBondContact O-N 2.83Å; L709-A713 WeakPolarHBondContact O-CA 3.06Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.86Å; L709-G714 PolarHBondContact O-N 3.39Å; L709-A716 HydrophobicContact CB-CB 4.16Å; L709-L898 HydrophobicContact CB-CD1 4.25Å; L709-L898 HydrophobicContact CD1-CD1 4.21Å; L709-L898 HydrophobicContact CD2-CD1 4.21Å; L709-L898 HydrophobicContact CG-CD1 4.44Å; L709-K901 HydrophobicContact CD2-CB 3.76Å; L709-Q902 HydrophobicContact CD1-CG 3.51Å; L709-Q902 HydrophobicContact CD2-CB 4.28Å; L709-Q902 HydrophobicContact CD2-CG 3.61Å; L709-Q902 HydrophobicContact CG-CG 4.2Å |
| 710 | L | 91.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 179.5 | -172.4 | 60.4 | 0 | 0 | 0 | 111.2 | P640 V643 P673 M674 A675 I706 D707 G714 A716 Y753 | P640-L710 HydrophobicContact CG-CD2 3.65Å; P640-L710 HydrophobicContact CG-CG 3.92Å; V643-L710 HydrophobicContact CG2-CD2 4.03Å; P673-L710 HydrophobicContact CB-CD1 4.35Å; M674-L710 VanDerWaalsContact O-CD1 3.23Å; M674-L710 WeakPolarHBondContact O-CD1 3.29Å; A675-L710 HydrophobicContact CB-CD2 4.32Å; I706-L710 WeakPolarHBondContact O-CB 3.16Å; I706-L710 PolarHBondContact O-N 2.9Å; D707-L710 PolarHBondContact O-N 3.47Å; L710-G714 CarbonylContact O-C 3.52Å; L710-G714 WeakPolarHBondContact O-CA 3.37Å; L710-G714 PolarHBondContact O-N 2.81Å; L710-G714 VanDerWaalsContact O-N 3.1Å; L710-A716 HydrophobicContact CB-CB 3.92Å; L710-A716 HydrophobicContact CD1-CB 4.37Å; L710-Y753 HydrophobicContact CD2-CE1 4.45Å; L710-Y753 HydrophobicContact CD2-CE2 4.11Å |
| 711 | K | 89.7 | Confident | 89.7 | Confident | 164 Ų | 164 | 35 Ų | 35 | 71% | 0.713 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -69.9 | -47.7 | 178 | -176.8 | -178.6 | 172 | -174.6 | 0 | 113.1 | D707 Y708 L709 | D707-K711 WeakPolarHBondContact O-CB 3.32Å; D707-K711 PolarHBondContact O-N 2.93Å; Y708-K711 PolarHBondContact O-N 2.97Å; L709-K711 VanDerWaalsContact C-N 3.28Å; L709-K711 PolarHBondContact O-N 3.47Å |
| 712 | E | 91.2 | Very high | 89.7 | Confident | 82 Ų | 82 | 36.8 Ų | 36.8 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -90.9 | -32.8 | -170 | -61.5 | -62.7 | 135.7 | 0 | 0 | 113.2 | Y708 L709 K901 | Y708-E712 HydrophobicContact CD2-CG 3.87Å; Y708-E712 HydrophobicContact CE2-CB 4.49Å; Y708-E712 HydrophobicContact CE2-CG 3.59Å; Y708-E712 HydrophobicContact CG-CG 4.46Å; Y708-E712 WeakPolarHBondContact O-CB 3.46Å; Y708-E712 WeakPolarHBondContact O-CG 3.41Å; Y708-E712 PolarHBondContact O-N 3.31Å; L709-E712 PolarHBondContact O-N 2.83Å; E712-K901 HydrophobicContact CB-CD 3.99Å; E712-K901 HydrophobicContact CB-CG 4.29Å |
| 713 | A | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -96.4 | -16.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L709 I715 R894 Q897 L898 K901 | L709-A713 WeakPolarHBondContact O-CA 3.06Å; L709-A713 WeakPolarHBondContact O-CB 3.42Å; L709-A713 PolarHBondContact O-N 2.86Å; A713-I715 PolarHBondContact O-N 2.88Å; A713-R894 WeakPolarHBondContact O-CD 3.38Å; A713-R894 PolarHBondContact O-NH1 2.97Å; A713-Q897 HydrophobicContact CB-CB 4.1Å; A713-L898 HydrophobicContact CB-CB 4.31Å; A713-K901 HydrophobicContact CB-CG 4.4Å |
| 714 | G | 93 | Very high | 89.7 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 78.2 | -0.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P673 M674 L709 L710 | P673-G714 WeakPolarHBondContact CA-O 3.38Å; M674-G714 PolarHBondContact N-O 3.21Å; L709-G714 PolarHBondContact O-N 3.39Å; L710-G714 CarbonylContact O-C 3.52Å; L710-G714 WeakPolarHBondContact O-CA 3.37Å; L710-G714 PolarHBondContact O-N 2.81Å; L710-G714 VanDerWaalsContact O-N 3.1Å |
| 715 | I | 94.7 | Very high | 89.5 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 141.1 | 178.4 | -179.1 | 160.8 | 0 | 0 | 0 | 109.4 | A664 F665 A668 M674 A713 R894 L898 | A664-I715 HydrophobicContact CB-CD1 3.98Å; F665-I715 HydrophobicContact CD1-CD1 3.92Å; F665-I715 HydrophobicContact CD1-CG2 4.42Å; F665-I715 HydrophobicContact CE1-CD1 3.97Å; F665-I715 HydrophobicContact CE1-CG2 4.25Å; F665-I715 HydrophobicContact CG-CD1 4.39Å; A668-I715 HydrophobicContact CB-CB 3.98Å; A668-I715 HydrophobicContact CB-CD1 4.32Å; A668-I715 HydrophobicContact CB-CG2 4.39Å; M674-I715 HydrophobicContact CB-CB 4.09Å; M674-I715 HydrophobicContact CB-CD1 3.87Å; M674-I715 HydrophobicContact CB-CG1 3.75Å; M674-I715 CarbonylContact O-C 3.57Å; M674-I715 VanDerWaalsContact O-CA 3.3Å; M674-I715 WeakPolarHBondContact O-CA 3.34Å; A713-I715 PolarHBondContact O-N 2.88Å; I715-R894 HydrophobicContact CG2-CB 4.48Å; I715-L898 HydrophobicContact CG2-CB 4.26Å; I715-L898 HydrophobicContact CG2-CD2 4.2Å; I715-L898 WeakPolarHBondContact O-CD1 3.14Å |
| 716 | A | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M674 K676 I706 L709 L710 L718 | M674-A716 PolarHBondContact O-N 3.03Å; K676-A716 PolarHBondContact N-O 2.93Å; I706-A716 HydrophobicContact CG2-CB 3.91Å; L709-A716 HydrophobicContact CB-CB 4.16Å; L710-A716 HydrophobicContact CB-CB 3.92Å; L710-A716 HydrophobicContact CD1-CB 4.37Å; A716-L718 HydrophobicContact CB-CD1 4.24Å; A716-L718 WeakPolarHBondContact O-CD1 3.02Å |
| 717 | F | 92.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 33 Ų | 33 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.5 | 173.4 | -177.6 | -107.8 | 0 | 0 | 0 | 110.4 | K676 S688 A689 L692 L699 F719 | K676-F717 HydrophobicContact CB-CD2 4.48Å; K676-F717 HydrophobicContact CG-CD2 4.22Å; K676-F717 WeakPolarHBondContact O-CD2 3.27Å; S688-F717 WeakPolarHBondContact OG-CE2 3.44Å; A689-F717 HydrophobicContact CB-CE1 4.17Å; A689-F717 HydrophobicContact CB-CZ 4.1Å; L692-F717 HydrophobicContact CD1-CB 3.77Å; L692-F717 HydrophobicContact CD1-CD1 3.78Å; L692-F717 HydrophobicContact CD1-CD2 3.19Å; L692-F717 HydrophobicContact CD1-CE1 4.13Å; L692-F717 HydrophobicContact CD1-CE2 3.59Å; L692-F717 HydrophobicContact CD1-CG 3.27Å; L692-F717 HydrophobicContact CD1-CZ 4.04Å; L699-F717 HydrophobicContact CD2-CD1 3.93Å; L699-F717 HydrophobicContact CD2-CE1 3.78Å; F717-F719 HydrophobicContact CD1-CB 4.33Å; F717-F719 HydrophobicContact CE1-CB 3.87Å; F717-F719 AromaticContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CG 4.32Å; F717-F719 HydrophobicContact CZ-CD2 4.38Å |
| 718 | L | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 103.5 | -179.1 | -78.3 | 76.2 | 0 | 0 | 0 | 108.5 | A675 K676 H677 G678 I706 A716 A720 L723 P752 Y753 | A675-L718 HydrophobicContact CB-CD1 4.04Å; K676-L718 PolarHBondContact O-N 3.12Å; H677-L718 PolarHBondContact CD2-O 3.4Å; H677-L718 VanDerWaalsContact CD2-O 3.29Å; G678-L718 PolarHBondContact N-O 2.8Å; I706-L718 HydrophobicContact CG2-CD1 3.99Å; I706-L718 HydrophobicContact CG2-CG 4.22Å; A716-L718 HydrophobicContact CB-CD1 4.24Å; A716-L718 WeakPolarHBondContact O-CD1 3.02Å; L718-A720 PolarHBondContact O-N 2.8Å; L718-L723 HydrophobicContact CB-CD1 3.51Å; L718-L723 HydrophobicContact CD2-CD1 4.07Å; L718-L723 HydrophobicContact CG-CD1 3.91Å; L718-P752 HydrophobicContact CD2-CG 3.63Å; L718-Y753 HydrophobicContact CD1-CE2 4.36Å; L718-Y753 HydrophobicContact CD2-CD2 3.72Å; L718-Y753 HydrophobicContact CD2-CE2 3.94Å |
| 719 | F | 90 | Very high | 88.9 | Confident | 24 Ų | 24 | 32.2 Ų | 32.2 | 11% | 0.105 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 102.8 | -178.3 | -172.9 | -130.2 | 0 | 0 | 0 | 111.1 | R680 A689 L699 F717 P721 T722 L723 | R680-F719 HydrophobicContact CG-CE2 4Å; R680-F719 HydrophobicContact CG-CZ 4.12Å; A689-F719 HydrophobicContact CB-CD2 4.06Å; A689-F719 HydrophobicContact CB-CE2 3.85Å; L699-F719 HydrophobicContact CB-CG 4.41Å; F717-F719 HydrophobicContact CD1-CB 4.33Å; F717-F719 HydrophobicContact CE1-CB 3.87Å; F717-F719 AromaticContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CD2 3.94Å; F717-F719 HydrophobicContact CE1-CG 4.32Å; F717-F719 HydrophobicContact CZ-CD2 4.38Å; F719-P721 VanDerWaalsContact C-CD 3.46Å; F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE1-CB 4.23Å; F719-P721 HydrophobicContact CE1-CG 4.08Å; F719-P721 HydrophobicContact CE2-CG 3.94Å; F719-P721 HydrophobicContact CZ-CB 4.31Å; F719-P721 HydrophobicContact CZ-CG 3.7Å; F719-T722 WeakPolarHBondContact CD1-OG1 3.46Å; F719-T722 PolarHBondContact O-N 3.03Å; F719-L723 PolarHBondContact O-N 3.01Å |
| 720 | A | 85.4 | Confident | 88.7 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 15% | 0.149 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.8 | -44.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H677 G678 L718 T722 L723 H724 | H677-A720 VanDerWaalsContact NE2-CA 3.28Å; H677-A720 WeakPolarHBondContact NE2-CA 3.22Å; H677-A720 WeakPolarHBondContact NE2-CB 3.48Å; G678-A720 WeakPolarHBondContact O-CB 3.42Å; G678-A720 PolarHBondContact O-N 3.4Å; L718-A720 PolarHBondContact O-N 2.8Å; A720-T722 PolarHBondContact O-N 3.4Å; A720-L723 PolarHBondContact O-N 2.98Å; A720-L723 VanDerWaalsContact O-N 3.1Å; A720-H724 PolarHBondContact O-N 3.36Å |
| 721 | P | 81.9 | Confident | 88.5 | Confident | 61 Ų | 61 | 35.4 Ų | 35.4 | 40% | 0.396 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -30.8 | -179.1 | -24.4 | 36.2 | 0 | 0 | 0 | 113.9 | N679 F719 | N679-P721 WeakPolarHBondContact OD1-CG 3.46Å; F719-P721 VanDerWaalsContact C-CD 3.46Å; F719-P721 HydrophobicContact CD2-CG 4.49Å; F719-P721 HydrophobicContact CE1-CB 4.23Å; F719-P721 HydrophobicContact CE1-CG 4.08Å; F719-P721 HydrophobicContact CE2-CG 3.94Å; F719-P721 HydrophobicContact CZ-CB 4.31Å; F719-P721 HydrophobicContact CZ-CG 3.7Å |
| 722 | T | 84.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 31.1 Ų | 31.1 | 36% | 0.356 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -75.4 | -34.1 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | T700 F719 A720 | T700-T722 HydrophobicContact CG2-CG2 4.09Å; F719-T722 WeakPolarHBondContact CD1-OG1 3.46Å; F719-T722 PolarHBondContact O-N 3.03Å; A720-T722 PolarHBondContact O-N 3.4Å |
| 723 | L | 86.4 | Confident | 88.4 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -86.6 | -23.1 | -172.9 | -60.9 | 172.5 | 0 | 0 | 0 | 113 | G633 T634 M636 I706 L718 F719 A720 P752 | G633-L723 CarbonylContact C-O 3.5Å; G633-L723 WeakPolarHBondContact CA-O 3.26Å; T634-L723 HydrophobicContact CG2-CD2 4.46Å; T634-L723 PolarHBondContact N-O 2.8Å; M636-L723 HydrophobicContact CE-CD2 3.65Å; I706-L723 HydrophobicContact CD1-CD2 4.29Å; L718-L723 HydrophobicContact CB-CD1 3.51Å; L718-L723 HydrophobicContact CD2-CD1 4.07Å; L718-L723 HydrophobicContact CG-CD1 3.91Å; F719-L723 PolarHBondContact O-N 3.01Å; A720-L723 PolarHBondContact O-N 2.98Å; A720-L723 VanDerWaalsContact O-N 3.1Å; L723-P752 HydrophobicContact CD1-CG 4.08Å |
| 724 | H | 87.1 | Confident | 88.2 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | trans | -128.1 | 65.5 | -178 | -56.6 | -74.3 | 0 | 0 | 0 | 113.1 | M629 H677 A720 A726 M727 I750 | M629-H724 HydrophobicContact CE-CB 3.99Å; H677-H724 AromaticContact CE1-CD2 3.82Å; H677-H724 AromaticContact CE1-NE2 3.74Å; H677-H724 AromaticContact NE2-CD2 3.62Å; H677-H724 AromaticContact NE2-NE2 3.58Å; A720-H724 PolarHBondContact O-N 3.36Å; H724-A726 PolarHBondContact O-N 2.91Å; H724-A726 VanDerWaalsContact O-N 3.15Å; H724-M727 PolarHBondContact O-N 3.16Å; H724-I750 HydrophobicContact CB-CD1 4.27Å; H724-I750 PolarHBondContact CE1-O 2.89Å; H724-I750 PolarHBondContact NE2-O 3.37Å | ||
| 725 | P | 84.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 37.3 Ų | 37.3 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -61.4 | -26.9 | -176.9 | 25.1 | -34.4 | 0 | 0 | 0 | 113.2 | M727 G728 | P725-M727 PolarHBondContact O-N 2.78Å; P725-M727 VanDerWaalsContact O-N 3.14Å; P725-G728 PolarHBondContact O-N 3.36Å |
| 726 | A | 86.6 | Confident | 87.1 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | F596 K632 H724 G728 A729 | F596-A726 HydrophobicContact CD1-CB 4.05Å; F596-A726 VanDerWaalsContact CD1-O 3.31Å; F596-A726 WeakPolarHBondContact CD1-O 3.21Å; F596-A726 HydrophobicContact CE1-CB 4.46Å; F596-A726 WeakPolarHBondContact CE1-O 3.32Å; F596-A726 HydrophobicContact CG-CB 4.41Å; K632-A726 HydrophobicContact CB-CB 4.16Å; K632-A726 HydrophobicContact CD-CB 4.23Å; H724-A726 PolarHBondContact O-N 2.91Å; H724-A726 VanDerWaalsContact O-N 3.15Å; A726-G728 PolarHBondContact O-N 2.87Å; A726-G728 VanDerWaalsContact O-N 3.14Å; A726-A729 WeakPolarHBondContact O-CB 3.49Å; A726-A729 PolarHBondContact O-N 3.48Å; A726-A729 VanDerWaalsContact O-N 3.15Å |
| 727 | M | 86.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 45.6 Ų | 45.6 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.3 | 174.1 | -178.5 | 60.8 | 63.2 | 0 | 0 | 111.8 | M629 H724 P725 A729 V730 M731 R734 F743 L746 | M629-M727 HydrophobicContact CE-CB 4.07Å; M629-M727 HydrophobicContact CE-CE 3.49Å; M629-M727 VanDerWaalsContact CE-CE 3.49Å; M629-M727 HydrophobicContact SD-CE 3.44Å; M629-M727 WeakPolarHBondContact SD-CE 3.4Å; H724-M727 PolarHBondContact O-N 3.16Å; P725-M727 PolarHBondContact O-N 2.78Å; P725-M727 VanDerWaalsContact O-N 3.14Å; M727-A729 PolarHBondContact O-N 2.99Å; M727-V730 WeakPolarHBondContact O-CG2 3.07Å; M727-V730 PolarHBondContact O-N 3.1Å; M727-V730 HydrophobicContact SD-CG2 3.76Å; M727-M731 HydrophobicContact CG-CG 4.43Å; M727-M731 HydrophobicContact CG-SD 4.07Å; M727-M731 WeakPolarHBondContact O-CG 3.31Å; M727-R734 PolarHBondContact SD-NH1 2.7Å; M727-F743 HydrophobicContact CE-CD1 3.85Å; M727-F743 HydrophobicContact CE-CE1 4.4Å; M727-F743 HydrophobicContact SD-CD1 4.04Å; M727-L746 HydrophobicContact CE-CD2 4.33Å |
| 728 | G | 84.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -53.8 | -33.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P725 A726 V730 M731 | P725-G728 PolarHBondContact O-N 3.36Å; A726-G728 PolarHBondContact O-N 2.87Å; A726-G728 VanDerWaalsContact O-N 3.14Å; G728-V730 PolarHBondContact O-N 2.79Å; G728-M731 PolarHBondContact O-N 3.12Å |
| 729 | A | 86.2 | Confident | 85.2 | Confident | 31 Ų | 31 | 51.9 Ų | 51.9 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -63.2 | -23 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | F596 A726 M727 H732 | F596-A729 HydrophobicContact CD1-CB 4.35Å; A726-A729 WeakPolarHBondContact O-CB 3.49Å; A726-A729 PolarHBondContact O-N 3.48Å; A726-A729 VanDerWaalsContact O-N 3.15Å; M727-A729 PolarHBondContact O-N 2.99Å; A729-H732 PolarHBondContact O-CE1 2.98Å |
| 730 | V | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -112.8 | -0.2 | -178.9 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | I595 F596 I605 M727 G728 H732 I733 R734 F743 | I595-V730 HydrophobicContact CG2-CG1 3.39Å; F596-V730 HydrophobicContact CE1-CG1 4.49Å; I605-V730 HydrophobicContact CG2-CG1 4.43Å; M727-V730 WeakPolarHBondContact O-CG2 3.07Å; M727-V730 PolarHBondContact O-N 3.1Å; M727-V730 HydrophobicContact SD-CG2 3.76Å; G728-V730 PolarHBondContact O-N 2.79Å; V730-H732 PolarHBondContact O-N 2.79Å; V730-I733 PolarHBondContact O-N 3.49Å; V730-R734 WeakPolarHBondContact O-CB 3.2Å; V730-R734 VanDerWaalsContact O-CG 3.25Å; V730-R734 WeakPolarHBondContact O-CG 3.34Å; V730-R734 PolarHBondContact O-N 2.81Å; V730-F743 HydrophobicContact CB-CE2 4.15Å; V730-F743 HydrophobicContact CB-CZ 4.31Å; V730-F743 HydrophobicContact CG1-CE2 4.01Å; V730-F743 HydrophobicContact CG1-CZ 3.92Å; V730-F743 HydrophobicContact CG2-CD1 4.28Å; V730-F743 HydrophobicContact CG2-CD2 4.27Å; V730-F743 HydrophobicContact CG2-CE1 4.05Å; V730-F743 HydrophobicContact CG2-CE2 3.97Å; V730-F743 HydrophobicContact CG2-CG 4.41Å; V730-F743 HydrophobicContact CG2-CZ 3.88Å |
| 731 | M | 86.5 | Confident | 84.8 | Confident | 74 Ų | 74 | 53 Ų | 53 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -36.3 | -172.6 | -78 | -59.4 | -66.4 | 0 | 0 | 113.3 | M727 G728 K735 | M727-M731 HydrophobicContact CG-CG 4.43Å; M727-M731 HydrophobicContact CG-SD 4.07Å; M727-M731 WeakPolarHBondContact O-CG 3.31Å; G728-M731 PolarHBondContact O-N 3.12Å; M731-K735 WeakPolarHBondContact O-CG 3.41Å; M731-K735 PolarHBondContact O-N 2.97Å |
| 732 | H | 89.7 | Confident | 85.1 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 34% | 0.343 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 176.4 | 65.4 | -62.4 | 0 | 0 | 0 | 111 | D602 A729 V730 R734 K735 E736 | D602-H732 IonicContact OD1-CE1 3.14Å; D602-H732 IonicContact OD1-NE2 3.39Å; D602-H732 PolarHBondContact OD1-NE2 3.5Å; D602-H732 IonicContact OD2-CD2 2.97Å; D602-H732 IonicContact OD2-NE2 2.7Å; D602-H732 PolarHBondContact OD2-NE2 3.21Å; A729-H732 PolarHBondContact O-CE1 2.98Å; V730-H732 PolarHBondContact O-N 2.79Å; H732-R734 VanDerWaalsContact C-N 3.33Å; H732-R734 PolarHBondContact O-N 2.96Å; H732-K735 WeakPolarHBondContact O-CB 3.39Å; H732-K735 PolarHBondContact O-N 2.74Å; H732-K735 VanDerWaalsContact O-N 3.08Å; H732-E736 WeakPolarHBondContact O-CG 3.44Å; H732-E736 PolarHBondContact O-N 2.82Å |
| 733 | I | 89.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 176.5 | -57.1 | 167.7 | 0 | 0 | 0 | 110.8 | D602 I605 S606 L609 V730 K735 E736 L737 | D602-I733 HydrophobicContact CB-CD1 4.33Å; D602-I733 HydrophobicContact CB-CG1 4.27Å; I605-I733 HydrophobicContact CB-CD1 3.8Å; I605-I733 HydrophobicContact CD1-CD1 3.6Å; I605-I733 HydrophobicContact CG1-CD1 4.3Å; I605-I733 HydrophobicContact CG2-CD1 3.67Å; I605-I733 HydrophobicContact CG2-CG2 4.22Å; S606-I733 WeakPolarHBondContact OG-CG2 3.5Å; L609-I733 HydrophobicContact CD1-CG2 4.3Å; V730-I733 PolarHBondContact O-N 3.49Å; I733-K735 VanDerWaalsContact C-N 3.31Å; I733-K735 PolarHBondContact O-N 3.07Å; I733-E736 PolarHBondContact O-N 2.91Å; I733-L737 HydrophobicContact CG2-CD1 4.05Å; I733-L737 HydrophobicContact CG2-CG 4.36Å; I733-L737 WeakPolarHBondContact O-CB 3.5Å; I733-L737 WeakPolarHBondContact O-CG 3.35Å; I733-L737 PolarHBondContact O-N 2.86Å |
| 734 | R | 88.1 | Confident | 85.3 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 23% | 0.234 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.6 | -71.2 | 174.9 | 68.7 | -159.6 | 3.2 | 112.7 | M727 V730 H732 A738 F743 | M727-R734 PolarHBondContact SD-NH1 2.7Å; V730-R734 WeakPolarHBondContact O-CB 3.2Å; V730-R734 VanDerWaalsContact O-CG 3.25Å; V730-R734 WeakPolarHBondContact O-CG 3.34Å; V730-R734 PolarHBondContact O-N 2.81Å; H732-R734 VanDerWaalsContact C-N 3.33Å; H732-R734 PolarHBondContact O-N 2.96Å; R734-A738 PolarHBondContact O-N 2.84Å; R734-F743 HydrophobicContact CG-CD2 4.47Å |
| 735 | K | 82 | Confident | 85.2 | Confident | 161 Ų | 161 | 49.8 Ų | 49.8 | 70% | 0.7 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | 174.9 | -75.5 | 175.7 | -178.9 | -178.6 | 0 | 111.5 | M731 H732 I733 A738 | M731-K735 WeakPolarHBondContact O-CG 3.41Å; M731-K735 PolarHBondContact O-N 2.97Å; H732-K735 WeakPolarHBondContact O-CB 3.39Å; H732-K735 PolarHBondContact O-N 2.74Å; H732-K735 VanDerWaalsContact O-N 3.08Å; I733-K735 VanDerWaalsContact C-N 3.31Å; I733-K735 PolarHBondContact O-N 3.07Å; K735-A738 PolarHBondContact O-N 2.97Å |
| 736 | E | 82.2 | Confident | 85.3 | Confident | 139 Ų | 139 | 45.5 Ų | 45.5 | 65% | 0.65 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68 | -43 | 178.3 | -73 | -179.3 | -178.2 | 0 | 0 | 112.6 | H732 I733 A738 | H732-E736 WeakPolarHBondContact O-CG 3.44Å; H732-E736 PolarHBondContact O-N 2.82Å; I733-E736 PolarHBondContact O-N 2.91Å; E736-A738 PolarHBondContact O-N 2.94Å |
| 737 | L | 81.8 | Confident | 85.2 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -25.5 | 176.4 | -73.3 | 175.6 | 0 | 0 | 0 | 113.1 | L609 V610 I733 T739 T741 | L609-L737 HydrophobicContact CB-CD1 3.98Å; L609-L737 HydrophobicContact CD1-CD1 3.85Å; V610-L737 HydrophobicContact CG2-CD2 3.81Å; I733-L737 HydrophobicContact CG2-CD1 4.05Å; I733-L737 HydrophobicContact CG2-CG 4.36Å; I733-L737 WeakPolarHBondContact O-CB 3.5Å; I733-L737 WeakPolarHBondContact O-CG 3.35Å; I733-L737 PolarHBondContact O-N 2.86Å; L737-T739 HydrophobicContact CB-CG2 4.38Å; L737-T739 WeakPolarHBondContact O-CB 3.24Å; L737-T739 PolarHBondContact O-N 2.86Å; L737-T741 HydrophobicContact CD1-CG2 4.13Å |
| 738 | A | 78.7 | Confident | 85.2 | Confident | 89 Ų | 89 | 44.6 Ų | 44.6 | 74% | 0.736 | 26% | 0.258 | S | S | * | . | trans | 47.6 | 32 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R734 K735 E736 | R734-A738 PolarHBondContact O-N 2.84Å; K735-A738 PolarHBondContact O-N 2.97Å; E736-A738 PolarHBondContact O-N 2.94Å | ||
| 739 | T | 76.5 | Confident | 85.5 | Confident | 53 Ų | 53 | 42.3 Ų | 42.3 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -146.3 | 148.8 | -174.7 | -154.4 | 0 | 0 | 0 | 0 | 111 | K613 L737 T741 | K613-T739 HydrophobicContact CD-CG2 4.09Å; K613-T739 PolarHBondContact NZ-OG1 3.11Å; L737-T739 HydrophobicContact CB-CG2 4.38Å; L737-T739 WeakPolarHBondContact O-CB 3.24Å; L737-T739 PolarHBondContact O-N 2.86Å; T739-T741 HydrophobicContact CG2-CG2 4.49Å; T739-T741 PolarHBondContact O-N 3.34Å |
| 740 | P | 79.4 | Confident | 85.7 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | trans | -61.6 | 136.8 | 176.1 | -23 | 32.6 | 0 | 0 | 0 | 111.9 | K613 N744 Y763 | K613-P740 WeakPolarHBondContact CD-O 3.5Å; K613-P740 PolarHBondContact NZ-O 2.84Å; P740-N744 WeakPolarHBondContact CA-OD1 3.36Å; P740-N744 HydrophobicContact CB-CB 4.5Å; P740-Y763 WeakPolarHBondContact CB-OH 3.19Å | ||
| 741 | T | 87.5 | Confident | 85.8 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | trans | -130.1 | -179.6 | 179.2 | 60.7 | 0 | 0 | 0 | 0 | 110 | L609 L737 T739 F743 N744 | L609-T741 HydrophobicContact CB-CG2 4.02Å; L609-T741 HydrophobicContact CD1-CG2 4.42Å; L737-T741 HydrophobicContact CD1-CG2 4.13Å; T739-T741 HydrophobicContact CG2-CG2 4.49Å; T739-T741 PolarHBondContact O-N 3.34Å; T741-F743 PolarHBondContact O-N 3.48Å; T741-N744 PolarHBondContact N-OD1 3.13Å; T741-N744 WeakPolarHBondContact O-CB 3.44Å; T741-N744 PolarHBondContact O-N 2.94Å; T741-N744 PolarHBondContact O-OD1 2.79Å | ||
| 742 | I | 89.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.2 | -31.4 | 173.7 | -168.6 | 167.8 | 0 | 0 | 0 | 113.2 | M588 L609 L612 V617 E621 L622 L625 N744 L745 | M588-I742 HydrophobicContact CE-CD1 4.24Å; L609-I742 HydrophobicContact CD2-CG2 3.68Å; L612-I742 HydrophobicContact CD1-CD1 4.34Å; L612-I742 HydrophobicContact CD1-CG2 4.32Å; V617-I742 HydrophobicContact CG1-CD1 3.55Å; V617-I742 HydrophobicContact CG1-CG1 3.78Å; V617-I742 HydrophobicContact CG2-CB 4.07Å; V617-I742 HydrophobicContact CG2-CD1 4.34Å; V617-I742 HydrophobicContact CG2-CG1 4.19Å; E621-I742 HydrophobicContact CB-CD1 4.28Å; L622-I742 HydrophobicContact CD1-CD1 4.06Å; L622-I742 HydrophobicContact CD1-CG1 3.47Å; L622-I742 VanDerWaalsContact CD1-CG1 3.47Å; L625-I742 HydrophobicContact CD2-CD1 4.08Å; L625-I742 HydrophobicContact CD2-CG1 4.15Å; L625-I742 HydrophobicContact CD2-CG2 3.78Å; I742-N744 PolarHBondContact O-N 3.31Å; I742-L745 PolarHBondContact O-N 3.42Å; I742-L745 VanDerWaalsContact O-N 3.16Å |
| 743 | F | 89.2 | Confident | 85.9 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -19.7 | 177.4 | -74.9 | -67.2 | 0 | 0 | 0 | 114.5 | F596 L609 L625 M727 V730 R734 T741 L745 L746 | F596-F743 HydrophobicContact CE1-CE1 4.41Å; F596-F743 AromaticContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CE1 3.79Å; F596-F743 HydrophobicContact CZ-CZ 4.16Å; L609-F743 HydrophobicContact CD1-CD2 4.1Å; L609-F743 HydrophobicContact CD1-CE2 4.07Å; L609-F743 HydrophobicContact CD2-CD2 3.68Å; L609-F743 HydrophobicContact CD2-CE2 3.61Å; L609-F743 HydrophobicContact CG-CE2 4.41Å; L625-F743 HydrophobicContact CD1-CE1 4.39Å; L625-F743 HydrophobicContact CD1-CZ 4.47Å; L625-F743 HydrophobicContact CD2-CD1 4.31Å; L625-F743 HydrophobicContact CD2-CE1 3.87Å; L625-F743 HydrophobicContact CD2-CZ 4.11Å; L625-F743 HydrophobicContact CG-CE1 4.44Å; M727-F743 HydrophobicContact CE-CD1 3.85Å; M727-F743 HydrophobicContact CE-CE1 4.4Å; M727-F743 HydrophobicContact SD-CD1 4.04Å; V730-F743 HydrophobicContact CB-CE2 4.15Å; V730-F743 HydrophobicContact CB-CZ 4.31Å; V730-F743 HydrophobicContact CG1-CE2 4.01Å; V730-F743 HydrophobicContact CG1-CZ 3.92Å; V730-F743 HydrophobicContact CG2-CD1 4.28Å; V730-F743 HydrophobicContact CG2-CD2 4.27Å; V730-F743 HydrophobicContact CG2-CE1 4.05Å; V730-F743 HydrophobicContact CG2-CE2 3.97Å; V730-F743 HydrophobicContact CG2-CG 4.41Å; V730-F743 HydrophobicContact CG2-CZ 3.88Å; R734-F743 HydrophobicContact CG-CD2 4.47Å; T741-F743 PolarHBondContact O-N 3.48Å; F743-L745 VanDerWaalsContact C-N 3.34Å; F743-L746 HydrophobicContact CD1-CD2 3.52Å; F743-L746 HydrophobicContact CE1-CD2 3.77Å; F743-L746 PolarHBondContact O-N 3.49Å |
| 744 | N | 84.7 | Confident | 85.8 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -73 | -27.9 | 175.6 | -70.6 | 70.2 | 0 | 0 | 0 | 112.4 | P740 T741 I742 Y763 | P740-N744 WeakPolarHBondContact CA-OD1 3.36Å; P740-N744 HydrophobicContact CB-CB 4.5Å; T741-N744 PolarHBondContact N-OD1 3.13Å; T741-N744 WeakPolarHBondContact O-CB 3.44Å; T741-N744 PolarHBondContact O-N 2.94Å; T741-N744 PolarHBondContact O-OD1 2.79Å; I742-N744 PolarHBondContact O-N 3.31Å; N744-Y763 HydrophobicContact CB-CE1 4.27Å; N744-Y763 VanDerWaalsContact CB-OH 3.31Å; N744-Y763 WeakPolarHBondContact CB-OH 3.33Å |
| 745 | L | 85.1 | Confident | 86 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.7 | -14.5 | 176.8 | -59.5 | 179 | 0 | 0 | 0 | 112.4 | L622 T649 I742 F743 L749 A764 | L622-L745 HydrophobicContact CD1-CB 3.8Å; L622-L745 HydrophobicContact CD1-CD1 4.39Å; L622-L745 HydrophobicContact CD2-CB 4.14Å; L622-L745 HydrophobicContact CD2-CD1 4.28Å; T649-L745 HydrophobicContact CG2-CD2 4.06Å; I742-L745 PolarHBondContact O-N 3.42Å; I742-L745 VanDerWaalsContact O-N 3.16Å; F743-L745 VanDerWaalsContact C-N 3.34Å; L745-L749 WeakPolarHBondContact O-CD1 3.2Å; L745-A764 HydrophobicContact CD2-CB 4.09Å |
| 746 | L | 87.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78.7 | -32.1 | -166.2 | -161.4 | 60.4 | 0 | 0 | 0 | 114.3 | L625 A626 M629 M727 F743 L749 I750 | L625-L746 HydrophobicContact CB-CD1 4.47Å; L625-L746 HydrophobicContact CD2-CD2 3.81Å; L625-L746 HydrophobicContact CG-CD1 4.29Å; L625-L746 HydrophobicContact CG-CD2 3.83Å; A626-L746 HydrophobicContact CB-CD1 3.7Å; M629-L746 HydrophobicContact CG-CD2 3.97Å; M629-L746 HydrophobicContact SD-CD2 3.14Å; M629-L746 WeakPolarHBondContact SD-CD2 3.49Å; M629-L746 HydrophobicContact SD-CG 3.89Å; M727-L746 HydrophobicContact CE-CD2 4.33Å; F743-L746 HydrophobicContact CD1-CD2 3.52Å; F743-L746 HydrophobicContact CE1-CD2 3.77Å; F743-L746 PolarHBondContact O-N 3.49Å; L746-L749 WeakPolarHBondContact O-CB 3.45Å; L746-L749 PolarHBondContact O-N 2.98Å; L746-I750 HydrophobicContact CD1-CG2 3.97Å; L746-I750 HydrophobicContact CG-CG2 3.84Å; L746-I750 WeakPolarHBondContact O-CG2 3.49Å; L746-I750 PolarHBondContact O-N 2.76Å |
| 747 | G | 83.5 | Confident | 87.1 | Confident | 32 Ų | 32 | 26.4 Ų | 26.4 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -49 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H677 L749 I750 | H677-G747 PolarHBondContact ND1-O 3.16Å; G747-L749 VanDerWaalsContact C-N 3.26Å; G747-L749 PolarHBondContact O-N 2.91Å; G747-I750 WeakPolarHBondContact O-CG1 3.41Å |
| 748 | P | 87.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.026 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.3 | 175.3 | -31 | 41.8 | 0 | 0 | 0 | 115 | C647 G648 T649 Q758 M760 | C647-P748 VanDerWaalsContact SG-CA 3.59Å; C647-P748 VanDerWaalsContact SG-CB 3.51Å; G648-P748 WeakPolarHBondContact O-CG 3.14Å; T649-P748 HydrophobicContact CG2-CG 4.25Å; P748-Q758 PolarHBondContact O-NE2 2.99Å; P748-M760 HydrophobicContact CB-CE 3.59Å; P748-M760 HydrophobicContact CB-CG 3.84Å; P748-M760 HydrophobicContact CB-SD 3.62Å; P748-M760 HydrophobicContact CG-CE 3.83Å; P748-M760 HydrophobicContact CG-CG 4.47Å; P748-M760 HydrophobicContact CG-SD 4.46Å |
| 749 | L | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.6 | -171.2 | -60.8 | 176 | 0 | 0 | 0 | 113.1 | L622 A626 L745 L746 G747 N751 M760 T774 L775 L778 R780 | L622-L749 HydrophobicContact CD1-CD1 4.12Å; L622-L749 HydrophobicContact CD2-CD1 3.55Å; L622-L749 HydrophobicContact CG-CD1 3.5Å; A626-L749 HydrophobicContact CB-CB 4.11Å; L745-L749 WeakPolarHBondContact O-CD1 3.2Å; L746-L749 WeakPolarHBondContact O-CB 3.45Å; L746-L749 PolarHBondContact O-N 2.98Å; G747-L749 VanDerWaalsContact C-N 3.26Å; G747-L749 PolarHBondContact O-N 2.91Å; L749-N751 PolarHBondContact O-N 3.01Å; L749-M760 HydrophobicContact CD2-CE 4.12Å; L749-M760 HydrophobicContact CD2-SD 3.58Å; L749-M760 VanDerWaalsContact CD2-SD 3.58Å; L749-M760 HydrophobicContact CG-CE 4.27Å; L749-M760 HydrophobicContact CG-SD 4.29Å; L749-T774 HydrophobicContact CD1-CG2 3.74Å; L749-T774 HydrophobicContact CD2-CG2 4.1Å; L749-L775 HydrophobicContact CD2-CD2 3.49Å; L749-L775 VanDerWaalsContact CD2-CD2 3.49Å; L749-L775 HydrophobicContact CD2-CG 4.05Å; L749-L778 HydrophobicContact CB-CD1 3.84Å; L749-L778 HydrophobicContact CD2-CD1 4.15Å; L749-L778 HydrophobicContact CG-CD1 4.47Å; L749-R780 PolarHBondContact O-NH2 3.34Å |
| 750 | I | 91.8 | Very high | 89.5 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 20.4 | -167 | 62.4 | 173.1 | 0 | 0 | 0 | 114.6 | A626 M629 Q630 H724 L746 G747 | A626-I750 HydrophobicContact CB-CG2 4.06Å; M629-I750 HydrophobicContact CB-CB 4.33Å; M629-I750 HydrophobicContact CB-CG2 3.63Å; M629-I750 HydrophobicContact CE-CD1 3.55Å; M629-I750 HydrophobicContact SD-CD1 3.95Å; M629-I750 HydrophobicContact SD-CG2 4.38Å; Q630-I750 HydrophobicContact CG-CB 4.12Å; Q630-I750 HydrophobicContact CG-CG2 4.44Å; H724-I750 HydrophobicContact CB-CD1 4.27Å; H724-I750 PolarHBondContact CE1-O 2.89Å; H724-I750 PolarHBondContact NE2-O 3.37Å; L746-I750 HydrophobicContact CD1-CG2 3.97Å; L746-I750 HydrophobicContact CG-CG2 3.84Å; L746-I750 WeakPolarHBondContact O-CG2 3.49Å; L746-I750 PolarHBondContact O-N 2.76Å; G747-I750 WeakPolarHBondContact O-CG1 3.41Å |
| 751 | N | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -49.4 | 129.7 | 175.8 | -166.5 | -50.7 | 0 | 0 | 0 | 110 | Q630 D645 A675 L749 Y753 L755 | Q630-N751 PolarHBondContact NE2-O 2.97Å; D645-N751 PolarHBondContact OD2-ND2 2.86Å; D645-N751 VanDerWaalsContact OD2-ND2 3.09Å; A675-N751 PolarHBondContact O-ND2 3.05Å; L749-N751 PolarHBondContact O-N 3.01Å; N751-Y753 VanDerWaalsContact C-N 3.26Å; N751-Y753 PolarHBondContact O-N 3.37Å; N751-Y753 PolarHBondContact OD1-N 3.35Å; N751-L755 HydrophobicContact CB-CD1 3.82Å; N751-L755 HydrophobicContact CB-CG 4.27Å | ||
| 752 | P | 88.9 | Confident | 90.1 | Very high | 22 Ų | 22 | 15.1 Ų | 15.1 | 14% | 0.143 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -74.5 | -14.3 | -174.4 | 30.2 | -37 | 0 | 0 | 0 | 113.5 | M636 L718 L723 | M636-P752 HydrophobicContact CG-CB 3.86Å; M636-P752 HydrophobicContact CG-CG 3.82Å; M636-P752 HydrophobicContact SD-CG 4.47Å; L718-P752 HydrophobicContact CD2-CG 3.63Å; L723-P752 HydrophobicContact CD1-CG 4.08Å |
| 753 | Y | 88.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -80.4 | 142.1 | 166 | -75.9 | -74.5 | 0 | 0 | 0 | 111 | M636 A639 A675 I706 D707 L710 L718 N751 L755 | M636-Y753 HydrophobicContact CB-CD1 3.83Å; M636-Y753 HydrophobicContact CB-CD2 4.42Å; M636-Y753 HydrophobicContact CB-CE1 3.53Å; M636-Y753 HydrophobicContact CB-CE2 4.16Å; M636-Y753 HydrophobicContact CB-CG 4.28Å; M636-Y753 HydrophobicContact CG-CD1 4.37Å; M636-Y753 HydrophobicContact CG-CD2 4.09Å; M636-Y753 HydrophobicContact CG-CE1 4.19Å; M636-Y753 HydrophobicContact CG-CE2 3.89Å; M636-Y753 HydrophobicContact CG-CG 4.34Å; M636-Y753 HydrophobicContact SD-CE2 4.25Å; A639-Y753 HydrophobicContact CB-CD1 3.55Å; A639-Y753 HydrophobicContact CB-CE1 4.27Å; A639-Y753 HydrophobicContact CB-CG 4.33Å; A675-Y753 HydrophobicContact CB-CD2 3.68Å; A675-Y753 HydrophobicContact CB-CE2 4.21Å; A675-Y753 HydrophobicContact CB-CG 4.43Å; I706-Y753 HydrophobicContact CG2-CE2 4Å; D707-Y753 WeakPolarHBondContact OD1-CE1 3.21Å; D707-Y753 PolarHBondContact OD1-OH 3.49Å; L710-Y753 HydrophobicContact CD2-CE1 4.45Å; L710-Y753 HydrophobicContact CD2-CE2 4.11Å; L718-Y753 HydrophobicContact CD1-CE2 4.36Å; L718-Y753 HydrophobicContact CD2-CD2 3.72Å; L718-Y753 HydrophobicContact CD2-CE2 3.94Å; N751-Y753 VanDerWaalsContact C-N 3.26Å; N751-Y753 PolarHBondContact O-N 3.37Å; N751-Y753 PolarHBondContact OD1-N 3.35Å; Y753-L755 PolarHBondContact O-N 2.85Å; Y753-L755 VanDerWaalsContact O-N 3.1Å |
| 754 | P | 87.2 | Confident | 89.3 | Confident | 90 Ų | 90 | 19 Ų | 19 | 58% | 0.584 | 11% | 0.112 | S | C | * | . | trans | -66.9 | 106.3 | 161.3 | 29.3 | -32.3 | 0 | 0 | 0 | 108.4 | A639 V643 | A639-P754 HydrophobicContact CB-CG 4.01Å; V643-P754 WeakPolarHBondContact CG1-O 3.44Å | ||
| 755 | L | 91.8 | Very high | 89.1 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | trans | -86.6 | 132.7 | -178.9 | -57.2 | 177.5 | 0 | 0 | 0 | 111 | V643 D645 A675 N751 Y753 Q758 | V643-L755 HydrophobicContact CG1-CD2 4.07Å; V643-L755 HydrophobicContact CG2-CD2 4.11Å; D645-L755 HydrophobicContact CB-CD1 3.43Å; D645-L755 VanDerWaalsContact CB-CD1 3.43Å; D645-L755 HydrophobicContact CB-CD2 4.43Å; A675-L755 HydrophobicContact CB-CD2 4.21Å; N751-L755 HydrophobicContact CB-CD1 3.82Å; N751-L755 HydrophobicContact CB-CG 4.27Å; Y753-L755 PolarHBondContact O-N 2.85Å; Y753-L755 VanDerWaalsContact O-N 3.1Å; L755-Q758 HydrophobicContact CD1-CG 4.41Å | ||
| 756 | D | 91.9 | Very high | 88.9 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 21% | 0.214 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -75.4 | -39 | 171.7 | -62.1 | -37.3 | 0 | 0 | 0 | 110.1 | G642 V643 R780 E781 | G642-D756 VanDerWaalsContact CA-OD2 3.31Å; G642-D756 WeakPolarHBondContact CA-OD2 3.32Å; G642-D756 PolarHBondContact N-OD2 3.17Å; V643-D756 PolarHBondContact O-N 3.48Å; V643-D756 VanDerWaalsContact O-N 3.15Å; D756-R780 CarbonylContact O-C 3.57Å; D756-R780 WeakPolarHBondContact O-CA 3.32Å; D756-E781 PolarHBondContact O-N 2.81Å |
| 757 | Y | 95.4 | Very high | 88.7 | Confident | 46 Ų | 46 | 26.7 Ų | 26.7 | 18% | 0.18 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.7 | -176.4 | -49.6 | -57.1 | 0 | 0 | 0 | 112.3 | V643 M644 E781 R782 S869 | V643-Y757 PolarHBondContact O-N 2.95Å; M644-Y757 VanDerWaalsContact CA-O 3.3Å; M644-Y757 WeakPolarHBondContact CA-O 3.29Å; M644-Y757 WeakPolarHBondContact CG-O 2.96Å; Y757-E781 HydrophobicContact CD1-CB 4.37Å; Y757-E781 HydrophobicContact CE1-CB 3.81Å; Y757-E781 WeakPolarHBondContact CE1-OE2 2.93Å; Y757-E781 PolarHBondContact OH-OE2 2.96Å; Y757-R782 VanDerWaalsContact CA-O 3.3Å; Y757-R782 WeakPolarHBondContact CA-O 3.48Å; Y757-R782 HydrophobicContact CD1-CB 3.91Å; Y757-R782 HydrophobicContact CE1-CB 4.22Å; Y757-S869 WeakPolarHBondContact CE2-O 3.44Å |
| 758 | Q | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 136.5 | 174.6 | -165.9 | 164.3 | 0.4 | 0 | 0 | 113.1 | D645 P748 L755 L775 R780 R782 A783 I784 | D645-Q758 WeakPolarHBondContact O-CA 3.46Å; P748-Q758 PolarHBondContact O-NE2 2.99Å; L755-Q758 HydrophobicContact CD1-CG 4.41Å; Q758-L775 HydrophobicContact CG-CD2 4.4Å; Q758-R780 HydrophobicContact CB-CG 3.96Å; Q758-R780 VanDerWaalsContact OE1-CZ 3.24Å; Q758-R782 PolarHBondContact N-O 3.37Å; Q758-A783 HydrophobicContact CB-CB 4.39Å; Q758-A783 CarbonylContact O-C 3.58Å; Q758-A783 WeakPolarHBondContact O-CA 3.14Å; Q758-A783 WeakPolarHBondContact O-CB 3.3Å; Q758-I784 PolarHBondContact O-N 3.37Å |
| 759 | L | 96.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 115.8 | 165.6 | 177.1 | 69.7 | 0 | 0 | 0 | 108 | M644 D645 N646 C647 I784 I786 N861 L864 A868 | M644-L759 HydrophobicContact CE-CB 3.54Å; D645-L759 PolarHBondContact O-N 3.12Å; N646-L759 CarbonylContact C-O 3.42Å; N646-L759 WeakPolarHBondContact CA-O 3.42Å; N646-L759 HydrophobicContact CB-CB 4.01Å; N646-L759 HydrophobicContact CB-CD2 4.34Å; C647-L759 PolarHBondContact N-O 3.03Å; L759-I784 CarbonylContact C-O 2.95Å; L759-I784 WeakPolarHBondContact CA-O 3.33Å; L759-I784 HydrophobicContact CD1-CB 3.89Å; L759-I784 HydrophobicContact CD1-CG2 4.08Å; L759-I786 HydrophobicContact CD1-CD1 4.45Å; L759-I786 HydrophobicContact CD1-CG2 3.88Å; L759-N861 VanDerWaalsContact CD2-O 3.3Å; L759-N861 WeakPolarHBondContact CD2-O 3.44Å; L759-L864 HydrophobicContact CD1-CB 4.01Å; L759-L864 HydrophobicContact CD2-CB 4.28Å; L759-A868 HydrophobicContact CB-CB 4.38Å |
| 760 | M | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.7 | -175.5 | -179.5 | 174 | 166.8 | 0 | 0 | 111.9 | C647 T649 P748 L749 T771 L775 I784 V785 I786 | C647-M760 CarbonylContact O-C 3.53Å; C647-M760 VanDerWaalsContact O-CA 3.27Å; C647-M760 WeakPolarHBondContact O-CA 3.39Å; T649-M760 HydrophobicContact CG2-CE 3.97Å; P748-M760 HydrophobicContact CB-CE 3.59Å; P748-M760 HydrophobicContact CB-CG 3.84Å; P748-M760 HydrophobicContact CB-SD 3.62Å; P748-M760 HydrophobicContact CG-CE 3.83Å; P748-M760 HydrophobicContact CG-CG 4.47Å; P748-M760 HydrophobicContact CG-SD 4.46Å; L749-M760 HydrophobicContact CD2-CE 4.12Å; L749-M760 HydrophobicContact CD2-SD 3.58Å; L749-M760 VanDerWaalsContact CD2-SD 3.58Å; L749-M760 HydrophobicContact CG-CE 4.27Å; L749-M760 HydrophobicContact CG-SD 4.29Å; M760-T771 HydrophobicContact CE-CG2 3.52Å; M760-T771 HydrophobicContact SD-CG2 3.55Å; M760-T771 VanDerWaalsContact SD-CG2 3.55Å; M760-L775 HydrophobicContact CB-CD1 3.93Å; M760-L775 HydrophobicContact SD-CD1 4.23Å; M760-L775 HydrophobicContact SD-CD2 4.27Å; M760-L775 HydrophobicContact SD-CG 4.46Å; M760-I784 PolarHBondContact N-O 3.03Å; M760-V785 HydrophobicContact CB-CG2 4.45Å; M760-V785 CarbonylContact O-C 3.57Å; M760-V785 WeakPolarHBondContact O-CA 3.36Å; M760-I786 PolarHBondContact O-N 3.45Å |
| 761 | G | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 142.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C647 T649 D793 | C647-G761 PolarHBondContact O-N 3.28Å; T649-G761 PolarHBondContact N-O 3.32Å; T649-G761 VanDerWaalsContact N-O 3.1Å; G761-D793 WeakPolarHBondContact CA-O 3.43Å |
| 762 | T | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -137.4 | 134.5 | 169.5 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | A764 V785 I786 H787 | T762-A764 PolarHBondContact OG1-N 3.45Å; T762-V785 HydrophobicContact CG2-CG1 3.67Å; T762-I786 PolarHBondContact N-O 2.97Å; T762-H787 HydrophobicContact CG2-CB 4.49Å; T762-H787 PolarHBondContact O-ND1 3.35Å | ||
| 763 | Y | 83.4 | Confident | 89.5 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -74.7 | -17.4 | 167.8 | 71.4 | -98.9 | 0 | 0 | 0 | 112.2 | T649 P740 N744 G765 H787 G791 | T649-Y763 VanDerWaalsContact OG1-CD1 3.24Å; T649-Y763 WeakPolarHBondContact OG1-CD1 3.42Å; T649-Y763 PolarHBondContact OG1-N 2.88Å; P740-Y763 WeakPolarHBondContact CB-OH 3.19Å; N744-Y763 HydrophobicContact CB-CE1 4.27Å; N744-Y763 VanDerWaalsContact CB-OH 3.31Å; N744-Y763 WeakPolarHBondContact CB-OH 3.33Å; Y763-G765 PolarHBondContact O-N 2.85Å; Y763-H787 PolarHBondContact O-CE1 3.26Å; Y763-G791 WeakPolarHBondContact CA-O 3.43Å |
| 764 | A | 78.3 | Confident | 89.8 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 20% | 0.198 | 18% | 0.178 | C | C | . | . | trans | -94.2 | 86.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L745 T762 D766 S767 | L745-A764 HydrophobicContact CD2-CB 4.09Å; T762-A764 PolarHBondContact OG1-N 3.45Å; A764-D766 VanDerWaalsContact C-N 3.26Å; A764-D766 PolarHBondContact O-N 3.07Å; A764-S767 VanDerWaalsContact CB-OG 3.25Å; A764-S767 WeakPolarHBondContact CB-OG 3.3Å; A764-S767 PolarHBondContact O-N 3.29Å; A764-S767 VanDerWaalsContact O-N 3.08Å; A764-S767 PolarHBondContact O-OG 2.92Å | ||
| 765 | G | 79.4 | Confident | 90.1 | Very high | 28 Ų | 28 | 28 Ų | 28 | 29% | 0.289 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -55.7 | -39.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y763 S767 L768 H787 | Y763-G765 PolarHBondContact O-N 2.85Å; G765-S767 PolarHBondContact O-N 2.91Å; G765-S767 VanDerWaalsContact O-N 3.13Å; G765-L768 WeakPolarHBondContact O-CB 3.42Å; G765-L768 PolarHBondContact O-N 2.89Å; G765-L768 VanDerWaalsContact O-N 3.08Å; G765-H787 PolarHBondContact N-CE1 3.48Å |
| 766 | D | 80.8 | Confident | 90.2 | Very high | 176 Ų | 176 | 28.3 Ų | 28.3 | 94% | 0.941 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | -64 | -20.1 | 179.7 | -54.9 | -19.5 | 0 | 0 | 0 | 113.3 | A764 | A764-D766 VanDerWaalsContact C-N 3.26Å; A764-D766 PolarHBondContact O-N 3.07Å |
| 767 | S | 83 | Confident | 90.3 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -102.6 | 10.1 | 178.2 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | A764 G765 V769 E770 T771 | A764-S767 VanDerWaalsContact CB-OG 3.25Å; A764-S767 WeakPolarHBondContact CB-OG 3.3Å; A764-S767 PolarHBondContact O-N 3.29Å; A764-S767 VanDerWaalsContact O-N 3.08Å; A764-S767 PolarHBondContact O-OG 2.92Å; G765-S767 PolarHBondContact O-N 2.91Å; G765-S767 VanDerWaalsContact O-N 3.13Å; S767-V769 PolarHBondContact O-N 2.91Å; S767-E770 PolarHBondContact O-N 2.89Å; S767-T771 VanDerWaalsContact O-CB 3.27Å; S767-T771 WeakPolarHBondContact O-CB 3.46Å; S767-T771 PolarHBondContact O-N 3.12Å; S767-T771 PolarHBondContact O-OG1 3.25Å |
| 768 | L | 89.2 | Confident | 90.1 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -50 | -174.9 | -178.5 | 117.3 | 0 | 0 | 0 | 112.2 | G765 A772 H787 H802 A804 E813 | G765-L768 WeakPolarHBondContact O-CB 3.42Å; G765-L768 PolarHBondContact O-N 2.89Å; G765-L768 VanDerWaalsContact O-N 3.08Å; L768-A772 PolarHBondContact O-N 2.83Å; L768-A772 VanDerWaalsContact O-N 3.1Å; L768-H787 HydrophobicContact CD1-CB 3.54Å; L768-H802 HydrophobicContact CD1-CB 4.37Å; L768-H802 WeakPolarHBondContact CD1-O 3.44Å; L768-A804 HydrophobicContact CD2-CB 3.48Å; L768-A804 VanDerWaalsContact CD2-CB 3.48Å; L768-A804 HydrophobicContact CG-CB 3.82Å; L768-E813 HydrophobicContact CD2-CG 4.46Å |
| 769 | V | 91.6 | Very high | 89.9 | Confident | 34 Ų | 34 | 31.7 Ų | 31.7 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 112 | S767 T771 A772 K773 V811 E813 | S767-V769 PolarHBondContact O-N 2.91Å; V769-T771 VanDerWaalsContact C-N 3.29Å; V769-T771 PolarHBondContact O-N 3.41Å; V769-A772 PolarHBondContact O-N 3.42Å; V769-K773 HydrophobicContact CG1-CD 4.34Å; V769-K773 WeakPolarHBondContact O-CG 3.38Å; V769-K773 PolarHBondContact O-N 2.91Å; V769-V811 HydrophobicContact CG1-CG1 4.25Å; V769-E813 HydrophobicContact CG2-CG 3.77Å; V769-E813 WeakPolarHBondContact CG2-OE1 3.47Å; V769-E813 WeakPolarHBondContact CG2-OE2 3.17Å |
| 770 | E | 89.7 | Confident | 89.7 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 26% | 0.262 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -35.1 | 179.8 | -67.4 | -56 | 119.2 | 0 | 0 | 111.8 | A619 S767 K773 T774 | A619-E770 HydrophobicContact CB-CB 4.32Å; A619-E770 WeakPolarHBondContact CB-O 3.5Å; A619-E770 WeakPolarHBondContact CB-OE2 3.43Å; A619-E770 PolarHBondContact N-OE2 3.09Å; S767-E770 PolarHBondContact O-N 2.89Å; E770-K773 PolarHBondContact O-N 3.34Å; E770-K773 IonicContact OE1-NZ 3.2Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; E770-T774 WeakPolarHBondContact O-CB 3.45Å; E770-T774 PolarHBondContact O-N 3.21Å; E770-T774 PolarHBondContact O-OG1 2.94Å |
| 771 | T | 92.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | 174.1 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | M760 S767 V769 T774 L775 V785 | M760-T771 HydrophobicContact CE-CG2 3.52Å; M760-T771 HydrophobicContact SD-CG2 3.55Å; M760-T771 VanDerWaalsContact SD-CG2 3.55Å; S767-T771 VanDerWaalsContact O-CB 3.27Å; S767-T771 WeakPolarHBondContact O-CB 3.46Å; S767-T771 PolarHBondContact O-N 3.12Å; S767-T771 PolarHBondContact O-OG1 3.25Å; V769-T771 VanDerWaalsContact C-N 3.29Å; V769-T771 PolarHBondContact O-N 3.41Å; T771-T774 WeakPolarHBondContact O-CB 3.38Å; T771-T774 PolarHBondContact O-N 3.13Å; T771-L775 PolarHBondContact O-N 3.05Å; T771-V785 HydrophobicContact CG2-CG1 3.99Å; T771-V785 HydrophobicContact CG2-CG2 3.88Å |
| 772 | A | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L768 V769 T774 L775 G776 V785 A804 V811 | L768-A772 PolarHBondContact O-N 2.83Å; L768-A772 VanDerWaalsContact O-N 3.1Å; V769-A772 PolarHBondContact O-N 3.42Å; A772-T774 VanDerWaalsContact C-N 3.33Å; A772-T774 PolarHBondContact O-N 3.39Å; A772-L775 PolarHBondContact O-N 3.27Å; A772-G776 PolarHBondContact O-N 2.94Å; A772-V785 HydrophobicContact CB-CB 4.41Å; A772-V785 HydrophobicContact CB-CG2 3.8Å; A772-A804 HydrophobicContact CB-CB 3.64Å; A772-V811 HydrophobicContact CB-CG1 3.89Å; A772-V811 HydrophobicContact CB-CG2 3.99Å |
| 773 | K | 93.8 | Very high | 90 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 35% | 0.352 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 171.3 | -69.7 | 175.1 | -173.9 | 163.6 | 0 | 111.3 | A619 V769 E770 L775 G776 Q777 V811 | A619-K773 HydrophobicContact CB-CB 3.96Å; V769-K773 HydrophobicContact CG1-CD 4.34Å; V769-K773 WeakPolarHBondContact O-CG 3.38Å; V769-K773 PolarHBondContact O-N 2.91Å; E770-K773 PolarHBondContact O-N 3.34Å; E770-K773 IonicContact OE1-NZ 3.2Å; E770-K773 PolarHBondContact OE1-NZ 2.89Å; K773-L775 PolarHBondContact O-N 3.23Å; K773-G776 PolarHBondContact O-N 3.48Å; K773-Q777 WeakPolarHBondContact O-CG 3.4Å; K773-Q777 PolarHBondContact O-N 3.47Å; K773-V811 HydrophobicContact CG-CG2 3.74Å |
| 774 | T | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | A619 L622 T623 L749 E770 T771 A772 G776 Q777 L778 | A619-T774 WeakPolarHBondContact CA-OG1 3.16Å; A619-T774 PolarHBondContact O-OG1 3.03Å; L622-T774 HydrophobicContact CB-CG2 4.15Å; L622-T774 HydrophobicContact CD2-CG2 4.08Å; L622-T774 HydrophobicContact CG-CG2 4.09Å; T623-T774 WeakPolarHBondContact OG1-CG2 3.39Å; L749-T774 HydrophobicContact CD1-CG2 3.74Å; L749-T774 HydrophobicContact CD2-CG2 4.1Å; E770-T774 WeakPolarHBondContact O-CB 3.45Å; E770-T774 PolarHBondContact O-N 3.21Å; E770-T774 PolarHBondContact O-OG1 2.94Å; T771-T774 WeakPolarHBondContact O-CB 3.38Å; T771-T774 PolarHBondContact O-N 3.13Å; A772-T774 VanDerWaalsContact C-N 3.33Å; A772-T774 PolarHBondContact O-N 3.39Å; T774-G776 VanDerWaalsContact C-N 3.33Å; T774-G776 PolarHBondContact O-N 2.65Å; T774-Q777 CarbonylContact O-C 3.54Å; T774-Q777 PolarHBondContact O-N 3.39Å; T774-Q777 VanDerWaalsContact O-N 3.13Å; T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 HydrophobicContact CG2-CG 4.42Å; T774-L778 VanDerWaalsContact O-CG 3.3Å; T774-L778 WeakPolarHBondContact O-CG 3.3Å; T774-L778 PolarHBondContact O-N 3.18Å |
| 775 | L | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 176.7 | -71 | 174.6 | 0 | 0 | 0 | 112.4 | L749 Q758 M760 T771 A772 K773 L778 G779 R780 A783 V785 | L749-L775 HydrophobicContact CD2-CD2 3.49Å; L749-L775 VanDerWaalsContact CD2-CD2 3.49Å; L749-L775 HydrophobicContact CD2-CG 4.05Å; Q758-L775 HydrophobicContact CG-CD2 4.4Å; M760-L775 HydrophobicContact CB-CD1 3.93Å; M760-L775 HydrophobicContact SD-CD1 4.23Å; M760-L775 HydrophobicContact SD-CD2 4.27Å; M760-L775 HydrophobicContact SD-CG 4.46Å; T771-L775 PolarHBondContact O-N 3.05Å; A772-L775 PolarHBondContact O-N 3.27Å; K773-L775 PolarHBondContact O-N 3.23Å; L775-L778 CarbonylContact O-C 3.56Å; L775-L778 PolarHBondContact O-N 3.45Å; L775-G779 PolarHBondContact O-N 3.36Å; L775-R780 WeakPolarHBondContact O-CD 3.41Å; L775-R780 PolarHBondContact O-N 3.27Å; L775-A783 HydrophobicContact CB-CB 3.92Å; L775-A783 HydrophobicContact CD1-CB 3.73Å; L775-A783 HydrophobicContact CG-CB 4.43Å; L775-V785 HydrophobicContact CD1-CG2 3.57Å |
| 776 | G | 93.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A772 K773 T774 L778 G779 | A772-G776 PolarHBondContact O-N 2.94Å; K773-G776 PolarHBondContact O-N 3.48Å; T774-G776 VanDerWaalsContact C-N 3.33Å; T774-G776 PolarHBondContact O-N 2.65Å; G776-L778 PolarHBondContact O-N 2.93Å; G776-G779 PolarHBondContact O-N 3.44Å |
| 777 | Q | 93.2 | Very high | 93 | Very high | 84 Ų | 84 | 25.5 Ų | 25.5 | 39% | 0.393 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.2 | -23.8 | 176.6 | -69.2 | 174.3 | -5.7 | 0 | 0 | 113.2 | A619 T623 K773 T774 G779 | A619-Q777 PolarHBondContact O-OE1 3.49Å; T623-Q777 HydrophobicContact CG2-CB 3.8Å; T623-Q777 PolarHBondContact OG1-OE1 3.2Å; K773-Q777 WeakPolarHBondContact O-CG 3.4Å; K773-Q777 PolarHBondContact O-N 3.47Å; T774-Q777 CarbonylContact O-C 3.54Å; T774-Q777 PolarHBondContact O-N 3.39Å; T774-Q777 VanDerWaalsContact O-N 3.13Å; Q777-G779 VanDerWaalsContact C-N 3.26Å |
| 778 | L | 92.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 10.2 | 171.8 | -63.6 | 170.9 | 0 | 0 | 0 | 113.1 | T623 A626 Q627 L749 T774 L775 G776 R780 | T623-L778 HydrophobicContact CG2-CD2 4.16Å; A626-L778 HydrophobicContact CB-CD1 3.99Å; A626-L778 HydrophobicContact CB-CD2 3.99Å; Q627-L778 HydrophobicContact CG-CD2 3.65Å; L749-L778 HydrophobicContact CB-CD1 3.84Å; L749-L778 HydrophobicContact CD2-CD1 4.15Å; L749-L778 HydrophobicContact CG-CD1 4.47Å; T774-L778 HydrophobicContact CG2-CD1 3.95Å; T774-L778 HydrophobicContact CG2-CG 4.42Å; T774-L778 VanDerWaalsContact O-CG 3.3Å; T774-L778 WeakPolarHBondContact O-CG 3.3Å; T774-L778 PolarHBondContact O-N 3.18Å; L775-L778 CarbonylContact O-C 3.56Å; L775-L778 PolarHBondContact O-N 3.45Å; G776-L778 PolarHBondContact O-N 2.93Å; L778-R780 VanDerWaalsContact CB-NH1 3.25Å; L778-R780 PolarHBondContact O-NH1 3.15Å |
| 779 | G | 90.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 56% | 0.557 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 7.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L775 G776 Q777 E781 | L775-G779 PolarHBondContact O-N 3.36Å; G776-G779 PolarHBondContact O-N 3.44Å; Q777-G779 VanDerWaalsContact C-N 3.26Å; G779-E781 PolarHBondContact O-N 2.92Å |
| 780 | R | 92.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | trans | -68.8 | 130.3 | 176.1 | -77 | 55.5 | 163.2 | 176.8 | -5.1 | 109.1 | L749 D756 Q758 L775 L778 A783 Y806 | L749-R780 PolarHBondContact O-NH2 3.34Å; D756-R780 CarbonylContact O-C 3.57Å; D756-R780 WeakPolarHBondContact O-CA 3.32Å; Q758-R780 HydrophobicContact CB-CG 3.96Å; Q758-R780 VanDerWaalsContact OE1-CZ 3.24Å; L775-R780 WeakPolarHBondContact O-CD 3.41Å; L775-R780 PolarHBondContact O-N 3.27Å; L778-R780 VanDerWaalsContact CB-NH1 3.25Å; L778-R780 PolarHBondContact O-NH1 3.15Å; R780-A783 HydrophobicContact CB-CB 4.22Å; R780-A783 HydrophobicContact CG-CB 4.49Å; R780-Y806 WeakPolarHBondContact O-CE1 3.48Å | ||
| 781 | E | 92.2 | Very high | 93.2 | Very high | 108 Ų | 108 | 28.4 Ų | 28.4 | 51% | 0.505 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -66.7 | -40.9 | 173.3 | -64.2 | -171.6 | 163 | 0 | 0 | 111.2 | D756 Y757 G779 | D756-E781 PolarHBondContact O-N 2.81Å; Y757-E781 HydrophobicContact CD1-CB 4.37Å; Y757-E781 HydrophobicContact CE1-CB 3.81Å; Y757-E781 WeakPolarHBondContact CE1-OE2 2.93Å; Y757-E781 PolarHBondContact OH-OE2 2.96Å; G779-E781 PolarHBondContact O-N 2.92Å |
| 782 | R | 95 | Very high | 93.1 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.1 | 175.9 | -170.4 | 176.3 | -175.5 | -178.5 | -6.3 | 110.3 | Y757 Q758 Y806 Q807 M867 A868 | Y757-R782 VanDerWaalsContact CA-O 3.3Å; Y757-R782 WeakPolarHBondContact CA-O 3.48Å; Y757-R782 HydrophobicContact CD1-CB 3.91Å; Y757-R782 HydrophobicContact CE1-CB 4.22Å; Q758-R782 PolarHBondContact N-O 3.37Å; R782-Y806 WeakPolarHBondContact CA-O 3.39Å; R782-Y806 WeakPolarHBondContact CG-O 3.49Å; R782-Q807 HydrophobicContact CG-CB 4.37Å; R782-Q807 HydrophobicContact CG-CG 4.41Å; R782-M867 PolarHBondContact NE-O 3.21Å; R782-M867 PolarHBondContact NH1-O 3.16Å; R782-M867 VanDerWaalsContact NH1-O 3.15Å; R782-M867 PolarHBondContact NH2-O 3.37Å; R782-A868 WeakPolarHBondContact CB-O 3.5Å; R782-A868 WeakPolarHBondContact CD-O 3.13Å; R782-A868 VanDerWaalsContact CG-O 3.28Å; R782-A868 WeakPolarHBondContact CG-O 3.5Å |
| 783 | A | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 154.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q758 L775 R780 V805 Y806 | Q758-A783 HydrophobicContact CB-CB 4.39Å; Q758-A783 CarbonylContact O-C 3.58Å; Q758-A783 WeakPolarHBondContact O-CA 3.14Å; Q758-A783 WeakPolarHBondContact O-CB 3.3Å; L775-A783 HydrophobicContact CB-CB 3.92Å; L775-A783 HydrophobicContact CD1-CB 3.73Å; L775-A783 HydrophobicContact CG-CB 4.43Å; R780-A783 HydrophobicContact CB-CB 4.22Å; R780-A783 HydrophobicContact CG-CB 4.49Å; A783-V805 CarbonylContact O-C 3.48Å; A783-V805 WeakPolarHBondContact O-CA 3.45Å; A783-Y806 PolarHBondContact N-O 2.93Å; A783-Y806 PolarHBondContact O-N 3.05Å |
| 784 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.5 | 171.8 | -58.5 | -175.8 | 0 | 0 | 0 | 108 | Q758 L759 M760 I786 C803 A804 V805 M867 A868 | Q758-I784 PolarHBondContact O-N 3.37Å; L759-I784 CarbonylContact C-O 2.95Å; L759-I784 WeakPolarHBondContact CA-O 3.33Å; L759-I784 HydrophobicContact CD1-CB 3.89Å; L759-I784 HydrophobicContact CD1-CG2 4.08Å; M760-I784 PolarHBondContact N-O 3.03Å; I784-I786 HydrophobicContact CG2-CG2 3.83Å; I784-C803 HydrophobicContact CG2-CB 4.29Å; I784-A804 WeakPolarHBondContact CA-O 3.17Å; I784-V805 HydrophobicContact CD1-CG2 4.3Å; I784-V805 HydrophobicContact CG1-CG1 4.22Å; I784-V805 HydrophobicContact CG1-CG2 4.1Å; I784-M867 HydrophobicContact CD1-CB 4.14Å; I784-M867 HydrophobicContact CD1-CG 3.97Å; I784-M867 HydrophobicContact CD1-SD 4.21Å; I784-A868 HydrophobicContact CB-CB 4.1Å; I784-A868 HydrophobicContact CD1-CB 3.85Å; I784-A868 HydrophobicContact CG1-CB 3.7Å |
| 785 | V | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.6 | 169.3 | -176 | 0 | 0 | 0 | 0 | 108.7 | M760 T762 T771 A772 L775 C803 A804 | M760-V785 HydrophobicContact CB-CG2 4.45Å; M760-V785 CarbonylContact O-C 3.57Å; M760-V785 WeakPolarHBondContact O-CA 3.36Å; T762-V785 HydrophobicContact CG2-CG1 3.67Å; T771-V785 HydrophobicContact CG2-CG1 3.99Å; T771-V785 HydrophobicContact CG2-CG2 3.88Å; A772-V785 HydrophobicContact CB-CB 4.41Å; A772-V785 HydrophobicContact CB-CG2 3.8Å; L775-V785 HydrophobicContact CD1-CG2 3.57Å; V785-C803 CarbonylContact O-C 3.6Å; V785-C803 VanDerWaalsContact O-CA 3.23Å; V785-C803 WeakPolarHBondContact O-CA 3.34Å; V785-A804 PolarHBondContact N-O 3.2Å; V785-A804 PolarHBondContact O-N 3.09Å |
| 786 | I | 95.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | -176.2 | 67.3 | -176.4 | 0 | 0 | 0 | 111.1 | L759 M760 T762 I784 A795 H802 L864 | L759-I786 HydrophobicContact CD1-CD1 4.45Å; L759-I786 HydrophobicContact CD1-CG2 3.88Å; M760-I786 PolarHBondContact O-N 3.45Å; T762-I786 PolarHBondContact N-O 2.97Å; I784-I786 HydrophobicContact CG2-CG2 3.83Å; I786-A795 HydrophobicContact CD1-CB 4.49Å; I786-H802 WeakPolarHBondContact CA-O 3.28Å; I786-L864 HydrophobicContact CG2-CD1 4.22Å |
| 787 | H | 94.5 | Very high | 93 | Very high | 33 Ų | 33 | 25.5 Ų | 25.5 | 15% | 0.153 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 102.1 | 169.2 | -176 | 72.6 | 0 | 0 | 0 | 107.9 | T762 Y763 G765 L768 H802 | T762-H787 HydrophobicContact CG2-CB 4.49Å; T762-H787 PolarHBondContact O-ND1 3.35Å; Y763-H787 PolarHBondContact O-CE1 3.26Å; G765-H787 PolarHBondContact N-CE1 3.48Å; L768-H787 HydrophobicContact CD1-CB 3.54Å; H787-H802 HydrophobicContact CB-CB 4.45Å; H787-H802 PolarHBondContact N-O 3.03Å; H787-H802 PolarHBondContact O-N 3.25Å |
| 788 | G | 93.1 | Very high | 93 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -78.3 | 162.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G790 G791 M792 E794 | G788-G790 PolarHBondContact O-N 3.22Å; G788-G791 PolarHBondContact O-N 2.9Å; G788-G791 VanDerWaalsContact O-N 3.16Å; G788-M792 WeakPolarHBondContact CA-O 3.49Å; G788-M792 PolarHBondContact N-O 3.35Å; G788-M792 PolarHBondContact O-N 2.83Å; G788-E794 WeakPolarHBondContact CA-O 3.39Å |
| 789 | H | 92.6 | Very high | 93.1 | Very high | 86 Ų | 86 | 21.7 Ų | 21.7 | 40% | 0.398 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -51.1 | 135.6 | 177 | -177.7 | 77 | 0 | 0 | 0 | 112 | N796 T800 | H789-N796 PolarHBondContact N-ND2 2.99Å; H789-N796 PolarHBondContact O-ND2 2.92Å; H789-T800 WeakPolarHBondContact CA-O 3.39Å; H789-T800 WeakPolarHBondContact CB-O 3.19Å; H789-T800 PolarHBondContact N-O 2.86Å |
| 790 | G | 87 | Confident | 93.3 | Very high | 69 Ų | 69 | 21.3 Ų | 21.3 | 71% | 0.711 | 13% | 0.131 | S | C | * | . | G | 310 helix | trans | 79.5 | 12.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G788 | G788-G790 PolarHBondContact O-N 3.22Š|
| 791 | G | 85.6 | Confident | 93.5 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | 84.9 | 14.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y763 G788 | Y763-G791 WeakPolarHBondContact CA-O 3.43Å; G788-G791 PolarHBondContact O-N 2.9Å; G788-G791 VanDerWaalsContact O-N 3.16Å |
| 792 | M | 89.4 | Confident | 93.7 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 138 | -178.6 | -165.1 | 170.9 | 175.2 | 0 | 0 | 110.2 | D652 I659 G788 E794 N796 L828 I831 | D652-M792 VanDerWaalsContact OD2-CG 3.28Å; D652-M792 WeakPolarHBondContact OD2-CG 3.39Å; I659-M792 HydrophobicContact CD1-CE 3.63Å; G788-M792 WeakPolarHBondContact CA-O 3.49Å; G788-M792 PolarHBondContact N-O 3.35Å; G788-M792 PolarHBondContact O-N 2.83Å; M792-E794 HydrophobicContact CE-CB 3.88Å; M792-E794 WeakPolarHBondContact CE-OE2 3.41Å; M792-E794 HydrophobicContact CG-CB 4.17Å; M792-E794 PolarHBondContact O-N 3.38Å; M792-E794 VanDerWaalsContact O-N 3.11Å; M792-N796 HydrophobicContact SD-CB 3.82Å; M792-N796 PolarHBondContact SD-ND2 2.94Å; M792-L828 HydrophobicContact SD-CD2 4.02Å; M792-I831 HydrophobicContact CE-CD1 3.81Å; M792-I831 HydrophobicContact SD-CD1 4.13Å |
| 793 | D | 90 | Very high | 93.8 | Very high | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -82.3 | 23.2 | 176.8 | 67.1 | -18.7 | 0 | 0 | 0 | 112.6 | G648 T649 G650 G761 | G648-D793 WeakPolarHBondContact CA-OD2 3.32Å; T649-D793 PolarHBondContact N-OD2 2.79Å; T649-D793 VanDerWaalsContact N-OD2 3.07Å; G650-D793 WeakPolarHBondContact CA-OD2 3.5Å; G650-D793 PolarHBondContact N-OD2 3.29Å; G761-D793 WeakPolarHBondContact CA-O 3.43Å |
| 794 | E | 92.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 19 Ų | 19 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -144.7 | 145.9 | -176.3 | -66.6 | 163.7 | 146.4 | 0 | 0 | 108.3 | S656 I659 G788 M792 | S656-E794 PolarHBondContact OG-OE2 2.86Å; I659-E794 HydrophobicContact CD1-CB 4.39Å; I659-E794 WeakPolarHBondContact CD1-OE2 3.37Å; G788-E794 WeakPolarHBondContact CA-O 3.39Å; M792-E794 HydrophobicContact CE-CB 3.88Å; M792-E794 WeakPolarHBondContact CE-OE2 3.41Å; M792-E794 HydrophobicContact CG-CB 4.17Å; M792-E794 PolarHBondContact O-N 3.38Å; M792-E794 VanDerWaalsContact O-N 3.11Å |
| 795 | A | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -68.7 | 136.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | I786 T801 L860 N861 L864 | I786-A795 HydrophobicContact CD1-CB 4.49Å; A795-T801 HydrophobicContact CB-CG2 3.94Å; A795-L860 HydrophobicContact CB-CD2 3.84Å; A795-L860 HydrophobicContact CB-CG 4.04Å; A795-N861 PolarHBondContact N-OD1 2.88Å; A795-N861 PolarHBondContact O-ND2 3.22Å; A795-L864 HydrophobicContact CB-CD1 3.62Å | ||
| 796 | N | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -138.5 | 164.7 | -176.8 | 69.2 | 69.7 | 0 | 0 | 0 | 111.8 | H789 M792 A798 L828 I831 | H789-N796 PolarHBondContact N-ND2 2.99Å; H789-N796 PolarHBondContact O-ND2 2.92Å; M792-N796 HydrophobicContact SD-CB 3.82Å; M792-N796 PolarHBondContact SD-ND2 2.94Å; N796-A798 VanDerWaalsContact C-N 3.32Å; N796-A798 PolarHBondContact O-N 3.45Å; N796-A798 VanDerWaalsContact OD1-CB 3.29Å; N796-A798 WeakPolarHBondContact OD1-CB 3.43Å; N796-A798 PolarHBondContact OD1-N 3.47Å; N796-L828 HydrophobicContact CB-CD2 4.03Å; N796-I831 HydrophobicContact CB-CD1 4.05Å | ||
| 797 | L | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -87.8 | 6.2 | -175.4 | -56.7 | 179.5 | 0 | 0 | 0 | 113.2 | P818 F823 R825 V826 E856 L860 | L797-P818 HydrophobicContact CD2-CB 4.21Å; L797-P818 WeakPolarHBondContact O-CG 3.47Å; L797-F823 HydrophobicContact CD2-CB 3.65Å; L797-F823 HydrophobicContact CD2-CD2 4Å; L797-F823 HydrophobicContact CD2-CG 3.91Å; L797-R825 CarbonylContact O-C 3.55Å; L797-R825 WeakPolarHBondContact O-CA 3.49Å; L797-V826 CarbonylContact C-O 3.5Å; L797-V826 HydrophobicContact CB-CB 3.96Å; L797-V826 HydrophobicContact CB-CG2 4.28Å; L797-V826 HydrophobicContact CD1-CB 4.35Å; L797-V826 HydrophobicContact CD1-CG2 4.01Å; L797-V826 PolarHBondContact O-N 3.43Å; L797-E856 HydrophobicContact CD1-CB 3.78Å; L797-L860 HydrophobicContact CD2-CD2 4.01Å |
| 798 | A | 94.4 | Very high | 93 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 17% | 0.174 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85.1 | -26.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N796 V826 L828 | N796-A798 VanDerWaalsContact C-N 3.32Å; N796-A798 PolarHBondContact O-N 3.45Å; N796-A798 VanDerWaalsContact OD1-CB 3.29Å; N796-A798 WeakPolarHBondContact OD1-CB 3.43Å; N796-A798 PolarHBondContact OD1-N 3.47Å; A798-V826 VanDerWaalsContact CA-O 3.25Å; A798-V826 WeakPolarHBondContact CA-O 3.49Å; A798-V826 PolarHBondContact N-O 2.9Å; A798-L828 HydrophobicContact CB-CD2 3.8Å; A798-L828 HydrophobicContact CB-CG 3.81Å |
| 799 | G | 93.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -178.5 | -160.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T801 P818 | G799-T801 PolarHBondContact O-N 2.68Å; G799-P818 WeakPolarHBondContact O-CD 3.16Å |
| 800 | T | 95.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 31.4 Ų | 31.4 | 29% | 0.288 | 21% | 0.207 | S | C | . | . | trans | -59.4 | 133.8 | -173.3 | -44.6 | 0 | 0 | 0 | 0 | 112.5 | H789 F816 D817 | H789-T800 WeakPolarHBondContact CA-O 3.39Å; H789-T800 WeakPolarHBondContact CB-O 3.19Å; H789-T800 PolarHBondContact N-O 2.86Å; T800-F816 WeakPolarHBondContact CA-O 3.41Å; T800-D817 WeakPolarHBondContact CA-OD1 3.32Å; T800-D817 WeakPolarHBondContact CB-OD1 3.24Å; T800-D817 PolarHBondContact N-OD1 3.29Å; T800-D817 PolarHBondContact OG1-OD1 2.73Å | ||
| 801 | T | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.2 | 169.1 | -61.4 | 0 | 0 | 0 | 0 | 109.1 | A795 G799 S815 F816 | A795-T801 HydrophobicContact CB-CG2 3.94Å; G799-T801 PolarHBondContact O-N 2.68Å; T801-S815 WeakPolarHBondContact O-CA 3.2Å; T801-S815 WeakPolarHBondContact O-CB 3.46Å; T801-F816 HydrophobicContact CG2-CE1 3.95Å; T801-F816 HydrophobicContact CG2-CZ 4.02Å; T801-F816 PolarHBondContact N-O 3.32Å; T801-F816 PolarHBondContact O-N 3.26Å; T801-F816 VanDerWaalsContact O-N 3.13Å |
| 802 | H | 96.8 | Very high | 93.3 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 39% | 0.389 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.4 | 174.4 | -58.8 | -73.3 | 0 | 0 | 0 | 109.9 | L768 I786 H787 S815 | L768-H802 HydrophobicContact CD1-CB 4.37Å; L768-H802 WeakPolarHBondContact CD1-O 3.44Å; I786-H802 WeakPolarHBondContact CA-O 3.28Å; H787-H802 HydrophobicContact CB-CB 4.45Å; H787-H802 PolarHBondContact N-O 3.03Å; H787-H802 PolarHBondContact O-N 3.25Å; H802-S815 PolarHBondContact ND1-OG 3.22Å |
| 803 | C | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 141 | -174.9 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | I784 V785 E813 F814 | I784-C803 HydrophobicContact CG2-CB 4.29Å; V785-C803 CarbonylContact O-C 3.6Å; V785-C803 VanDerWaalsContact O-CA 3.23Å; V785-C803 WeakPolarHBondContact O-CA 3.34Å; C803-E813 VanDerWaalsContact O-CA 3.32Å; C803-E813 WeakPolarHBondContact O-CA 3.23Å; C803-F814 HydrophobicContact CB-CD1 3.64Å; C803-F814 HydrophobicContact CB-CD2 4.41Å; C803-F814 HydrophobicContact CB-CE1 3.24Å; C803-F814 HydrophobicContact CB-CE2 4.11Å; C803-F814 HydrophobicContact CB-CG 4.21Å; C803-F814 HydrophobicContact CB-CZ 3.51Å; C803-F814 PolarHBondContact N-O 3.38Å; C803-F814 PolarHBondContact O-N 3.42Å; C803-F814 VanDerWaalsContact O-O 3.11Å |
| 804 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L768 A772 I784 V785 V811 E813 | L768-A804 HydrophobicContact CD2-CB 3.48Å; L768-A804 VanDerWaalsContact CD2-CB 3.48Å; L768-A804 HydrophobicContact CG-CB 3.82Å; A772-A804 HydrophobicContact CB-CB 3.64Å; I784-A804 WeakPolarHBondContact CA-O 3.17Å; V785-A804 PolarHBondContact N-O 3.2Å; V785-A804 PolarHBondContact O-N 3.09Å; A804-V811 HydrophobicContact CB-CG1 3.83Å; A804-E813 HydrophobicContact CB-CG 4.42Å |
| 805 | V | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.9 | 177.3 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | A783 I784 V811 Q812 F814 | A783-V805 CarbonylContact O-C 3.48Å; A783-V805 WeakPolarHBondContact O-CA 3.45Å; I784-V805 HydrophobicContact CD1-CG2 4.3Å; I784-V805 HydrophobicContact CG1-CG1 4.22Å; I784-V805 HydrophobicContact CG1-CG2 4.1Å; V805-V811 CarbonylContact O-C 3.59Å; V805-V811 VanDerWaalsContact O-CA 3.27Å; V805-V811 WeakPolarHBondContact O-CA 3.32Å; V805-Q812 PolarHBondContact N-O 3.32Å; V805-Q812 PolarHBondContact O-N 3.23Å; V805-F814 HydrophobicContact CG2-CD1 3.7Å; V805-F814 HydrophobicContact CG2-CE1 3.37Å |
| 806 | Y | 96.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 126.1 | 163.6 | 179.4 | -92.1 | 0 | 0 | 0 | 109.6 | R780 R782 A783 G809 A810 V811 | R780-Y806 WeakPolarHBondContact O-CE1 3.48Å; R782-Y806 WeakPolarHBondContact CA-O 3.39Å; R782-Y806 WeakPolarHBondContact CG-O 3.49Å; A783-Y806 PolarHBondContact N-O 2.93Å; A783-Y806 PolarHBondContact O-N 3.05Å; Y806-G809 WeakPolarHBondContact OH-CA 3.23Å; Y806-G809 PolarHBondContact OH-N 3.15Å; Y806-A810 WeakPolarHBondContact CA-O 3.41Å; Y806-V811 HydrophobicContact CD2-CG2 3.91Å |
| 807 | Q | 92.7 | Very high | 94.2 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 130.7 | 171.2 | -172.1 | 172 | 10.4 | 0 | 0 | 110.2 | R782 G809 A810 | R782-Q807 HydrophobicContact CG-CB 4.37Å; R782-Q807 HydrophobicContact CG-CG 4.41Å; Q807-G809 VanDerWaalsContact C-N 3.28Å; Q807-G809 PolarHBondContact O-N 3.47Å; Q807-A810 PolarHBondContact N-O 3.12Å; Q807-A810 PolarHBondContact O-N 3Å |
| 808 | N | 83.5 | Confident | 94.2 | Very high | 144 Ų | 144 | 48.4 Ų | 48.4 | 77% | 0.77 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 41.8 | 173.7 | -60.4 | -27.4 | 0 | 0 | 0 | 114.1 | A810 | N808-A810 VanDerWaalsContact C-N 3.28Å; N808-A810 PolarHBondContact O-N 2.85Å |
| 809 | G | 84 | Confident | 94.2 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 62% | 0.619 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -3.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y806 Q807 | Y806-G809 WeakPolarHBondContact OH-CA 3.23Å; Y806-G809 PolarHBondContact OH-N 3.15Å; Q807-G809 VanDerWaalsContact C-N 3.28Å; Q807-G809 PolarHBondContact O-N 3.47Å |
| 810 | A | 91.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y806 Q807 N808 | Y806-A810 WeakPolarHBondContact CA-O 3.41Å; Q807-A810 PolarHBondContact N-O 3.12Å; Q807-A810 PolarHBondContact O-N 3Å; N808-A810 VanDerWaalsContact C-N 3.28Å; N808-A810 PolarHBondContact O-N 2.85Å |
| 811 | V | 94.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.1 | 167.4 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | V769 A772 K773 A804 V805 Y806 | V769-V811 HydrophobicContact CG1-CG1 4.25Å; A772-V811 HydrophobicContact CB-CG1 3.89Å; A772-V811 HydrophobicContact CB-CG2 3.99Å; K773-V811 HydrophobicContact CG-CG2 3.74Å; A804-V811 HydrophobicContact CB-CG1 3.83Å; V805-V811 CarbonylContact O-C 3.59Å; V805-V811 VanDerWaalsContact O-CA 3.27Å; V805-V811 WeakPolarHBondContact O-CA 3.32Å; Y806-V811 HydrophobicContact CD2-CG2 3.91Å |
| 812 | Q | 94.7 | Very high | 93.7 | Very high | 138 Ų | 138 | 59.7 Ų | 59.7 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131 | 173.3 | -67 | -179.1 | 0.9 | 0 | 0 | 109 | V805 | V805-Q812 PolarHBondContact N-O 3.32Å; V805-Q812 PolarHBondContact O-N 3.23Å |
| 813 | E | 96.3 | Very high | 93.6 | Very high | 134 Ų | 134 | 56.7 Ų | 56.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 142.2 | 177.1 | -66.4 | 172.3 | -98.3 | 0 | 0 | 110 | L768 V769 C803 A804 | L768-E813 HydrophobicContact CD2-CG 4.46Å; V769-E813 HydrophobicContact CG2-CG 3.77Å; V769-E813 WeakPolarHBondContact CG2-OE1 3.47Å; V769-E813 WeakPolarHBondContact CG2-OE2 3.17Å; C803-E813 VanDerWaalsContact O-CA 3.32Å; C803-E813 WeakPolarHBondContact O-CA 3.23Å; A804-E813 HydrophobicContact CB-CG 4.42Å |
| 814 | F | 95.3 | Very high | 93.5 | Very high | 60 Ų | 60 | 65 Ų | 65 | 26% | 0.263 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 163.9 | 167 | 75.7 | -80.4 | 0 | 0 | 0 | 109.2 | C803 V805 F816 L864 M867 | C803-F814 HydrophobicContact CB-CD1 3.64Å; C803-F814 HydrophobicContact CB-CD2 4.41Å; C803-F814 HydrophobicContact CB-CE1 3.24Å; C803-F814 HydrophobicContact CB-CE2 4.11Å; C803-F814 HydrophobicContact CB-CG 4.21Å; C803-F814 HydrophobicContact CB-CZ 3.51Å; C803-F814 PolarHBondContact N-O 3.38Å; C803-F814 PolarHBondContact O-N 3.42Å; C803-F814 VanDerWaalsContact O-O 3.11Å; V805-F814 HydrophobicContact CG2-CD1 3.7Å; V805-F814 HydrophobicContact CG2-CE1 3.37Å; F814-F816 HydrophobicContact CD2-CD1 4.13Å; F814-F816 AromaticContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CE1 4.04Å; F814-L864 HydrophobicContact CZ-CD2 4.19Å; F814-M867 HydrophobicContact CE1-CE 4.46Å; F814-M867 HydrophobicContact CZ-CE 4.42Å |
| 815 | S | 96.2 | Very high | 93.4 | Very high | 58 Ų | 58 | 70.9 Ų | 70.9 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.6 | 173.5 | -56 | 0 | 0 | 0 | 0 | 108.3 | T801 H802 | T801-S815 WeakPolarHBondContact O-CA 3.2Å; T801-S815 WeakPolarHBondContact O-CB 3.46Å; H802-S815 PolarHBondContact ND1-OG 3.22Å |
| 816 | F | 95.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.1 | 178 | 66.6 | -85.6 | 0 | 0 | 0 | 110.1 | T800 T801 F814 E820 A821 L860 L864 L875 | T800-F816 WeakPolarHBondContact CA-O 3.41Å; T801-F816 HydrophobicContact CG2-CE1 3.95Å; T801-F816 HydrophobicContact CG2-CZ 4.02Å; T801-F816 PolarHBondContact N-O 3.32Å; T801-F816 PolarHBondContact O-N 3.26Å; T801-F816 VanDerWaalsContact O-N 3.13Å; F814-F816 HydrophobicContact CD2-CD1 4.13Å; F814-F816 AromaticContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CD1 3.57Å; F814-F816 HydrophobicContact CE2-CE1 4.04Å; F816-E820 VanDerWaalsContact CA-OE2 3.31Å; F816-E820 WeakPolarHBondContact CA-OE2 3.18Å; F816-E820 HydrophobicContact CB-CB 4.49Å; F816-E820 WeakPolarHBondContact CB-OE2 3.46Å; F816-A821 HydrophobicContact CD2-CB 4.14Å; F816-A821 HydrophobicContact CE2-CB 4.23Å; F816-L860 HydrophobicContact CE2-CD1 3.68Å; F816-L860 HydrophobicContact CE2-CD2 4.22Å; F816-L860 HydrophobicContact CE2-CG 4.43Å; F816-L860 HydrophobicContact CZ-CD1 3.93Å; F816-L860 HydrophobicContact CZ-CD2 4.49Å; F816-L860 HydrophobicContact CZ-CG 4.48Å; F816-L864 HydrophobicContact CE1-CD1 4.4Å; F816-L864 HydrophobicContact CE1-CD2 4.21Å; F816-L864 HydrophobicContact CZ-CD1 4.14Å; F816-L875 HydrophobicContact CD1-CD2 4.23Å; F816-L875 HydrophobicContact CD2-CD2 3.94Å; F816-L875 HydrophobicContact CE1-CD2 4.06Å; F816-L875 HydrophobicContact CE2-CD2 3.82Å; F816-L875 HydrophobicContact CG-CD2 4.16Å; F816-L875 HydrophobicContact CZ-CD2 3.86Å |
| 817 | D | 96.3 | Very high | 93 | Very high | 38 Ų | 38 | 74.5 Ų | 74.5 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | trans | -91 | 155.2 | 168.7 | -86.5 | -23.8 | 0 | 0 | 0 | 110.9 | T800 E819 E820 A821 R825 | T800-D817 WeakPolarHBondContact CA-OD1 3.32Å; T800-D817 WeakPolarHBondContact CB-OD1 3.24Å; T800-D817 PolarHBondContact N-OD1 3.29Å; T800-D817 PolarHBondContact OG1-OD1 2.73Å; D817-E819 PolarHBondContact O-N 2.91Å; D817-E819 VanDerWaalsContact O-N 3.11Å; D817-E820 HydrophobicContact CB-CG 4.39Å; D817-E820 PolarHBondContact N-OE2 3.13Å; D817-E820 WeakPolarHBondContact O-CB 3.42Å; D817-E820 PolarHBondContact O-N 3.37Å; D817-A821 PolarHBondContact O-N 3.28Å; D817-R825 IonicContact OD1-NH2 3.58Å; D817-R825 IonicContact OD2-NH2 2.65Å; D817-R825 PolarHBondContact OD2-NH2 3.13Å | ||
| 818 | P | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.006 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35.7 | 179.7 | -27.8 | 36.1 | 0 | 0 | 0 | 113.5 | L797 G799 E820 A821 G822 F823 R825 | L797-P818 HydrophobicContact CD2-CB 4.21Å; L797-P818 WeakPolarHBondContact O-CG 3.47Å; G799-P818 WeakPolarHBondContact O-CD 3.16Å; P818-E820 VanDerWaalsContact C-N 3.33Å; P818-E820 PolarHBondContact O-N 3.39Å; P818-A821 PolarHBondContact O-N 2.95Å; P818-G822 PolarHBondContact O-N 3.3Å; P818-F823 CarbonylContact C-O 3.6Å; P818-F823 VanDerWaalsContact C-O 3.27Å; P818-F823 PolarHBondContact O-N 2.94Å; P818-R825 HydrophobicContact CG-CG 4.32Å |
| 819 | E | 95.3 | Very high | 93.1 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -34.6 | 178 | -64.5 | 95.1 | 152.5 | 0 | 0 | 113.4 | D817 A821 G822 F823 R825 | D817-E819 PolarHBondContact O-N 2.91Å; D817-E819 VanDerWaalsContact O-N 3.11Å; E819-A821 PolarHBondContact O-N 2.89Å; E819-G822 PolarHBondContact O-N 3.31Å; E819-G822 VanDerWaalsContact O-N 3.11Å; E819-F823 VanDerWaalsContact CA-O 3.24Å; E819-F823 WeakPolarHBondContact CA-O 3.18Å; E819-F823 PolarHBondContact N-O 3.43Å; E819-R825 VanDerWaalsContact CD-NE 3.29Å; E819-R825 VanDerWaalsContact OE1-CD 3.29Å; E819-R825 WeakPolarHBondContact OE1-CD 3.28Å; E819-R825 VanDerWaalsContact OE1-CG 3.28Å; E819-R825 WeakPolarHBondContact OE1-CG 3.29Å; E819-R825 IonicContact OE1-CZ 2.65Å; E819-R825 IonicContact OE1-NE 3.74Å; E819-R825 PolarHBondContact OE1-NE 3.34Å; E819-R825 IonicContact OE1-NH2 3.43Å; E819-R825 IonicContact OE2-CZ 3.74Å; E819-R825 IonicContact OE2-NE 3.19Å; E819-R825 PolarHBondContact OE2-NE 3.47Å; E819-R825 VanDerWaalsContact OE2-NE 3.08Å; E819-R825 IonicContact OE2-NH2 2.81Å; E819-R825 PolarHBondContact OE2-NH2 3.42Å |
| 820 | E | 91.7 | Very high | 93.4 | Very high | 135 Ų | 135 | 69 Ų | 69 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -27.1 | 176.8 | -60.1 | 178 | 176.9 | 0 | 0 | 111.5 | F816 D817 P818 G822 | F816-E820 VanDerWaalsContact CA-OE2 3.31Å; F816-E820 WeakPolarHBondContact CA-OE2 3.18Å; F816-E820 HydrophobicContact CB-CB 4.49Å; F816-E820 WeakPolarHBondContact CB-OE2 3.46Å; D817-E820 HydrophobicContact CB-CG 4.39Å; D817-E820 PolarHBondContact N-OE2 3.13Å; D817-E820 WeakPolarHBondContact O-CB 3.42Å; D817-E820 PolarHBondContact O-N 3.37Å; P818-E820 VanDerWaalsContact C-N 3.33Å; P818-E820 PolarHBondContact O-N 3.39Å; E820-G822 VanDerWaalsContact C-N 3.3Å |
| 821 | A | 90.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 67.1 Ų | 67.1 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F816 D817 P818 E819 F823 L860 L875 I879 | F816-A821 HydrophobicContact CD2-CB 4.14Å; F816-A821 HydrophobicContact CE2-CB 4.23Å; D817-A821 PolarHBondContact O-N 3.28Å; P818-A821 PolarHBondContact O-N 2.95Å; E819-A821 PolarHBondContact O-N 2.89Å; A821-F823 HydrophobicContact CB-CD2 4.03Å; A821-F823 HydrophobicContact CB-CE2 4.41Å; A821-L860 HydrophobicContact CB-CD1 3.87Å; A821-L875 HydrophobicContact CB-CD2 3.86Å; A821-I879 HydrophobicContact CB-CD1 4.12Å; A821-I879 WeakPolarHBondContact O-CD1 3.39Å |
| 822 | G | 92.4 | Very high | 93.1 | Very high | 68 Ų | 68 | 67.9 Ų | 67.9 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P818 E819 E820 | P818-G822 PolarHBondContact O-N 3.3Å; E819-G822 PolarHBondContact O-N 3.31Å; E819-G822 VanDerWaalsContact O-N 3.11Å; E820-G822 VanDerWaalsContact C-N 3.3Å |
| 823 | F | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | trans | -108.7 | 155 | 179.2 | -60.1 | -68.7 | 0 | 0 | 0 | 112.1 | L797 P818 E819 A821 E856 L859 L860 I879 | L797-F823 HydrophobicContact CD2-CB 3.65Å; L797-F823 HydrophobicContact CD2-CD2 4Å; L797-F823 HydrophobicContact CD2-CG 3.91Å; P818-F823 CarbonylContact C-O 3.6Å; P818-F823 VanDerWaalsContact C-O 3.27Å; P818-F823 PolarHBondContact O-N 2.94Å; E819-F823 VanDerWaalsContact CA-O 3.24Å; E819-F823 WeakPolarHBondContact CA-O 3.18Å; E819-F823 PolarHBondContact N-O 3.43Å; A821-F823 HydrophobicContact CB-CD2 4.03Å; A821-F823 HydrophobicContact CB-CE2 4.41Å; F823-E856 HydrophobicContact CD1-CB 3.75Å; F823-E856 HydrophobicContact CD1-CG 3.83Å; F823-E856 HydrophobicContact CE1-CB 3.77Å; F823-E856 HydrophobicContact CE1-CG 3.85Å; F823-L859 HydrophobicContact CE1-CD1 4.42Å; F823-L859 HydrophobicContact CZ-CB 3.94Å; F823-L859 HydrophobicContact CZ-CD1 4.35Å; F823-L860 HydrophobicContact CD2-CD1 4.48Å; F823-L860 HydrophobicContact CE2-CB 4.09Å; F823-L860 HydrophobicContact CE2-CD1 4.26Å; F823-I879 HydrophobicContact CE2-CD1 3.66Å; F823-I879 HydrophobicContact CE2-CG1 4.28Å; F823-I879 HydrophobicContact CE2-CG2 4.44Å; F823-I879 HydrophobicContact CZ-CD1 4.24Å; F823-I879 HydrophobicContact CZ-CG2 3.93Å | ||
| 824 | K | 93.5 | Very high | 92.3 | Very high | 175 Ų | 175 | 55.5 Ų | 55.5 | 76% | 0.761 | 32% | 0.318 | S | S | * | . | trans | -82.7 | 150.8 | 171 | -66.7 | 179.8 | -178.1 | 175.4 | 0 | 109.6 | V826 | K824-V826 PolarHBondContact O-N 3.48Š| ||
| 825 | R | 94.7 | Very high | 91.9 | Very high | 123 Ų | 123 | 55.2 Ų | 55.2 | 46% | 0.464 | 32% | 0.324 | S | S | . | . | trans | -61 | 130.8 | 171.3 | -74.6 | -179.7 | -162.9 | -135.1 | -5.7 | 111.2 | L797 D817 P818 E819 | L797-R825 CarbonylContact O-C 3.55Å; L797-R825 WeakPolarHBondContact O-CA 3.49Å; D817-R825 IonicContact OD1-NH2 3.58Å; D817-R825 IonicContact OD2-NH2 2.65Å; D817-R825 PolarHBondContact OD2-NH2 3.13Å; P818-R825 HydrophobicContact CG-CG 4.32Å; E819-R825 VanDerWaalsContact CD-NE 3.29Å; E819-R825 VanDerWaalsContact OE1-CD 3.29Å; E819-R825 WeakPolarHBondContact OE1-CD 3.28Å; E819-R825 VanDerWaalsContact OE1-CG 3.28Å; E819-R825 WeakPolarHBondContact OE1-CG 3.29Å; E819-R825 IonicContact OE1-CZ 2.65Å; E819-R825 IonicContact OE1-NE 3.74Å; E819-R825 PolarHBondContact OE1-NE 3.34Å; E819-R825 IonicContact OE1-NH2 3.43Å; E819-R825 IonicContact OE2-CZ 3.74Å; E819-R825 IonicContact OE2-NE 3.19Å; E819-R825 PolarHBondContact OE2-NE 3.47Å; E819-R825 VanDerWaalsContact OE2-NE 3.08Å; E819-R825 IonicContact OE2-NH2 2.81Å; E819-R825 PolarHBondContact OE2-NH2 3.42Å | ||
| 826 | V | 92.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 31% | 0.31 | C | S | . | . | trans | -128.1 | 127.4 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | L797 A798 K824 A853 | L797-V826 CarbonylContact C-O 3.5Å; L797-V826 HydrophobicContact CB-CB 3.96Å; L797-V826 HydrophobicContact CB-CG2 4.28Å; L797-V826 HydrophobicContact CD1-CB 4.35Å; L797-V826 HydrophobicContact CD1-CG2 4.01Å; L797-V826 PolarHBondContact O-N 3.43Å; A798-V826 VanDerWaalsContact CA-O 3.25Å; A798-V826 WeakPolarHBondContact CA-O 3.49Å; A798-V826 PolarHBondContact N-O 2.9Å; K824-V826 PolarHBondContact O-N 3.48Å; V826-A853 HydrophobicContact CG1-CB 3.99Å | ||
| 827 | P | 91.6 | Very high | 91.2 | Very high | 94 Ų | 94 | 57.5 Ų | 57.5 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | trans | -56.9 | 149.9 | 175.3 | -22.6 | 32.4 | 0 | 0 | 0 | 111.8 | A829 G830 | P827-A829 PolarHBondContact O-N 3.02Å; P827-G830 PolarHBondContact O-N 2.71Å | ||
| 828 | L | 90.4 | Very high | 91 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 32% | 0.319 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -53.5 | -27.9 | 177.9 | -66.4 | 177.1 | 0 | 0 | 0 | 113.4 | M792 N796 A798 G830 I831 | M792-L828 HydrophobicContact SD-CD2 4.02Å; N796-L828 HydrophobicContact CB-CD2 4.03Å; A798-L828 HydrophobicContact CB-CD2 3.8Å; A798-L828 HydrophobicContact CB-CG 3.81Å; L828-G830 PolarHBondContact O-N 3.12Å; L828-G830 VanDerWaalsContact O-N 3.11Å; L828-I831 HydrophobicContact CD2-CD1 4.11Å; L828-I831 WeakPolarHBondContact O-CG1 3.39Å; L828-I831 PolarHBondContact O-N 2.66Å; L828-I831 VanDerWaalsContact O-N 3.1Å |
| 829 | A | 89.1 | Confident | 90.9 | Very high | 82 Ų | 82 | 60.5 Ų | 60.5 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -55.4 | -26.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P827 I831 V832 | P827-A829 PolarHBondContact O-N 3.02Å; A829-I831 VanDerWaalsContact C-N 3.31Å; A829-I831 PolarHBondContact O-N 3.35Å; A829-V832 WeakPolarHBondContact O-CG2 3.34Å |
| 830 | G | 88.8 | Confident | 90.8 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -72.9 | -18.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P827 L828 H854 | P827-G830 PolarHBondContact O-N 2.71Å; L828-G830 PolarHBondContact O-N 3.12Å; L828-G830 VanDerWaalsContact O-N 3.11Å; G830-H854 PolarHBondContact O-CE1 3.15Å |
| 831 | I | 91.3 | Very high | 91 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -111.7 | 12.7 | -177.7 | 61.5 | 169.4 | 0 | 0 | 0 | 112.9 | S656 F657 I659 M792 N796 L828 A829 G833 A853 T857 | S656-I831 WeakPolarHBondContact CA-O 3.46Å; F657-I831 HydrophobicContact CD1-CB 4.38Å; F657-I831 WeakPolarHBondContact CD1-O 3.4Å; F657-I831 HydrophobicContact CE1-CB 4.27Å; F657-I831 PolarHBondContact N-O 2.77Å; F657-I831 VanDerWaalsContact N-O 3.12Å; I659-I831 HydrophobicContact CD1-CD1 4.27Å; M792-I831 HydrophobicContact CE-CD1 3.81Å; M792-I831 HydrophobicContact SD-CD1 4.13Å; N796-I831 HydrophobicContact CB-CD1 4.05Å; L828-I831 HydrophobicContact CD2-CD1 4.11Å; L828-I831 WeakPolarHBondContact O-CG1 3.39Å; L828-I831 PolarHBondContact O-N 2.66Å; L828-I831 VanDerWaalsContact O-N 3.1Å; A829-I831 VanDerWaalsContact C-N 3.31Å; A829-I831 PolarHBondContact O-N 3.35Å; I831-G833 PolarHBondContact O-N 3.21Å; I831-A853 HydrophobicContact CG2-CB 4.3Å; I831-T857 HydrophobicContact CG2-CG2 4.43Å; I831-T857 VanDerWaalsContact CG2-OG1 3.3Å; I831-T857 WeakPolarHBondContact CG2-OG1 3.49Å |
| 832 | V | 89.5 | Confident | 91.2 | Very high | 56 Ų | 56 | 58 Ų | 58 | 34% | 0.339 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 130.4 | -179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | A829 | A829-V832 WeakPolarHBondContact O-CG2 3.34Å |
| 833 | G | 86.8 | Confident | 91.4 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | trans | -80.7 | -154.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | H655 I831 K838 N839 | H655-G833 PolarHBondContact O-N 3.04Å; I831-G833 PolarHBondContact O-N 3.21Å; G833-K838 PolarHBondContact O-NZ 3.17Å; G833-N839 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 834 | G | 86.2 | Confident | 91.5 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | trans | -168.6 | -138 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K685 N839 | K685-G834 WeakPolarHBondContact CB-O 3.4Å; G834-N839 PolarHBondContact N-OD1 3.04Å | ||
| 835 | S | 88.4 | Confident | 91.6 | Very high | 54 Ų | 54 | 48 Ų | 48 | 38% | 0.378 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -64.6 | 168.2 | 174.6 | 74.2 | 0 | 0 | 0 | 0 | 111.2 | E837 K838 N839 | S835-E837 VanDerWaalsContact CB-OE2 3.27Å; S835-E837 WeakPolarHBondContact CB-OE2 3.45Å; S835-E837 PolarHBondContact O-N 3.07Å; S835-E837 PolarHBondContact OG-N 2.7Å; S835-E837 PolarHBondContact OG-OE2 3.23Å; S835-K838 PolarHBondContact O-N 3.44Å; S835-K838 VanDerWaalsContact O-N 3.13Å; S835-K838 PolarHBondContact OG-N 3.33Å; S835-N839 PolarHBondContact O-N 2.84Å |
| 836 | A | 87 | Confident | 91.7 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 12% | 0.116 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.4 | -36.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D690 I691 V694 K840 | D690-A836 HydrophobicContact CB-CB 4.22Å; I691-A836 HydrophobicContact CG1-CB 4.47Å; V694-A836 HydrophobicContact CB-CB 4.42Å; V694-A836 HydrophobicContact CG2-CB 3.66Å; A836-K840 VanDerWaalsContact O-CB 3.29Å; A836-K840 WeakPolarHBondContact O-CB 3.45Å; A836-K840 PolarHBondContact O-N 3.2Å |
| 837 | E | 90.2 | Very high | 92 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 175.1 | -59.8 | 71.6 | -158 | 0 | 0 | 112 | V694 S835 N839 K840 D841 | V694-E837 HydrophobicContact CG1-CG 4.18Å; S835-E837 VanDerWaalsContact CB-OE2 3.27Å; S835-E837 WeakPolarHBondContact CB-OE2 3.45Å; S835-E837 PolarHBondContact O-N 3.07Å; S835-E837 PolarHBondContact OG-N 2.7Å; S835-E837 PolarHBondContact OG-OE2 3.23Å; E837-N839 VanDerWaalsContact C-N 3.31Å; E837-N839 PolarHBondContact O-N 2.84Å; E837-K840 WeakPolarHBondContact O-CB 3.41Å; E837-K840 PolarHBondContact O-N 3.34Å; E837-D841 PolarHBondContact O-N 3.47Å |
| 838 | K | 92 | Very high | 92.2 | Very high | 99 Ų | 99 | 43 Ų | 43 | 43% | 0.43 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.1 | -172.4 | -168.7 | 175.2 | -164.9 | 0 | 110.7 | G833 S835 K840 D841 I842 | G833-K838 PolarHBondContact O-NZ 3.17Å; S835-K838 PolarHBondContact O-N 3.44Å; S835-K838 VanDerWaalsContact O-N 3.13Å; S835-K838 PolarHBondContact OG-N 3.33Å; K838-K840 VanDerWaalsContact C-N 3.33Å; K838-D841 PolarHBondContact O-N 3.19Å; K838-I842 HydrophobicContact CG-CD1 4.32Å; K838-I842 WeakPolarHBondContact O-CG1 3.45Å; K838-I842 PolarHBondContact O-N 3.08Å |
| 839 | N | 92 | Very high | 92.4 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.4 | -28.5 | 179.5 | -73.7 | -1.9 | 0 | 0 | 0 | 112.3 | N658 S686 I691 G833 G834 S835 E837 I842 L843 | N658-N839 PolarHBondContact OD1-ND2 2.96Å; S686-N839 PolarHBondContact OG-ND2 3.4Å; I691-N839 HydrophobicContact CD1-CB 3.29Å; I691-N839 HydrophobicContact CG1-CB 3.9Å; G833-N839 WeakPolarHBondContact CA-OD1 3.49Å; G834-N839 PolarHBondContact N-OD1 3.04Å; S835-N839 PolarHBondContact O-N 2.84Å; E837-N839 VanDerWaalsContact C-N 3.31Å; E837-N839 PolarHBondContact O-N 2.84Å; N839-I842 PolarHBondContact O-N 3.05Å; N839-L843 VanDerWaalsContact O-CB 3.3Å; N839-L843 WeakPolarHBondContact O-CB 3.15Å; N839-L843 PolarHBondContact O-N 3.05Å |
| 840 | K | 94.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -45.7 | 165.7 | 162.1 | 176.7 | 175.9 | 178.6 | 0 | 111.3 | I691 V694 L695 A836 E837 K838 L843 L844 | I691-K840 HydrophobicContact CG2-CB 4.42Å; V694-K840 HydrophobicContact CG1-CD 3.66Å; V694-K840 PolarHBondContact O-NZ 3.42Å; L695-K840 HydrophobicContact CD2-CD 3.9Å; L695-K840 HydrophobicContact CD2-CG 3.76Å; L695-K840 HydrophobicContact CG-CD 4.29Å; L695-K840 HydrophobicContact CG-CG 4.27Å; A836-K840 VanDerWaalsContact O-CB 3.29Å; A836-K840 WeakPolarHBondContact O-CB 3.45Å; A836-K840 PolarHBondContact O-N 3.2Å; E837-K840 WeakPolarHBondContact O-CB 3.41Å; E837-K840 PolarHBondContact O-N 3.34Å; K838-K840 VanDerWaalsContact C-N 3.33Å; K840-L843 PolarHBondContact O-N 3.13Å; K840-L844 HydrophobicContact CG-CD1 3.87Å; K840-L844 HydrophobicContact CG-CG 4.41Å; K840-L844 WeakPolarHBondContact O-CB 3.41Å; K840-L844 VanDerWaalsContact O-CG 3.28Å; K840-L844 WeakPolarHBondContact O-CG 3.18Å; K840-L844 PolarHBondContact O-N 3.18Å |
| 841 | D | 95 | Very high | 93 | Very high | 108 Ų | 108 | 44.7 Ų | 44.7 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.5 | -42.2 | 178.3 | -68.5 | -23.5 | 0 | 0 | 0 | 111.5 | E837 K838 L844 S845 | E837-D841 PolarHBondContact O-N 3.47Å; K838-D841 PolarHBondContact O-N 3.19Å; D841-L844 PolarHBondContact O-N 3.47Å; D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.08Å |
| 842 | I | 95.3 | Very high | 93.2 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 173.7 | -66.4 | 166.1 | 0 | 0 | 0 | 110.5 | F657 K838 N839 L844 S845 V846 H854 | F657-I842 HydrophobicContact CB-CD1 4.1Å; F657-I842 HydrophobicContact CB-CG2 4.35Å; F657-I842 HydrophobicContact CD2-CB 4.48Å; F657-I842 HydrophobicContact CD2-CG2 3.45Å; F657-I842 VanDerWaalsContact CD2-CG2 3.45Å; F657-I842 HydrophobicContact CE2-CG2 3.8Å; F657-I842 HydrophobicContact CG-CG2 3.96Å; K838-I842 HydrophobicContact CG-CD1 4.32Å; K838-I842 WeakPolarHBondContact O-CG1 3.45Å; K838-I842 PolarHBondContact O-N 3.08Å; N839-I842 PolarHBondContact O-N 3.05Å; I842-L844 PolarHBondContact O-N 3.38Å; I842-S845 WeakPolarHBondContact O-CB 3.3Å; I842-S845 PolarHBondContact O-N 3.49Å; I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; I842-H854 HydrophobicContact CG2-CB 3.7Å |
| 843 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | 179 | -179 | 155.4 | 0 | 0 | 0 | 111 | T662 F665 I691 L695 N839 K840 S845 V846 L847 L895 | T662-L843 HydrophobicContact CG2-CG 4.12Å; F665-L843 HydrophobicContact CD2-CD1 4.32Å; F665-L843 HydrophobicContact CE2-CD1 4.22Å; I691-L843 HydrophobicContact CG2-CD1 4.24Å; L695-L843 HydrophobicContact CD1-CD1 4.26Å; L695-L843 HydrophobicContact CD1-CD2 4.27Å; N839-L843 VanDerWaalsContact O-CB 3.3Å; N839-L843 WeakPolarHBondContact O-CB 3.15Å; N839-L843 PolarHBondContact O-N 3.05Å; K840-L843 PolarHBondContact O-N 3.13Å; L843-S845 VanDerWaalsContact C-N 3.32Å; L843-S845 PolarHBondContact O-N 3.26Å; L843-V846 PolarHBondContact O-N 3.42Å; L843-L847 HydrophobicContact CD2-CD1 3.56Å; L843-L847 HydrophobicContact CD2-CG 4.13Å; L843-L847 HydrophobicContact CG-CD1 4.39Å; L843-L847 WeakPolarHBondContact O-CG 3.21Å; L843-L847 PolarHBondContact O-N 2.89Å; L843-L895 HydrophobicContact CD2-CD2 3.87Å |
| 844 | L | 96.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 46 Ų | 46 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -36.6 | 178.4 | -67.5 | 172 | 0 | 0 | 0 | 112 | L695 K840 D841 I842 R848 Y892 L895 | L695-L844 HydrophobicContact CD2-CD2 4.33Å; K840-L844 HydrophobicContact CG-CD1 3.87Å; K840-L844 HydrophobicContact CG-CG 4.41Å; K840-L844 WeakPolarHBondContact O-CB 3.41Å; K840-L844 VanDerWaalsContact O-CG 3.28Å; K840-L844 WeakPolarHBondContact O-CG 3.18Å; K840-L844 PolarHBondContact O-N 3.18Å; D841-L844 PolarHBondContact O-N 3.47Å; I842-L844 PolarHBondContact O-N 3.38Å; L844-R848 WeakPolarHBondContact O-CB 3.49Å; L844-R848 WeakPolarHBondContact O-CD 3.37Å; L844-R848 WeakPolarHBondContact O-CG 3.39Å; L844-R848 PolarHBondContact O-N 3.31Å; L844-R848 VanDerWaalsContact O-N 3.12Å; L844-Y892 HydrophobicContact CD2-CE2 3.83Å; L844-L895 HydrophobicContact CD2-CD2 3.74Å |
| 845 | S | 96.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | D841 I842 L843 R848 G849 I850 | D841-S845 WeakPolarHBondContact O-CB 3.22Å; D841-S845 PolarHBondContact O-N 3.08Å; I842-S845 WeakPolarHBondContact O-CB 3.3Å; I842-S845 PolarHBondContact O-N 3.49Å; L843-S845 VanDerWaalsContact C-N 3.32Å; L843-S845 PolarHBondContact O-N 3.26Å; S845-R848 PolarHBondContact O-N 2.79Å; S845-G849 PolarHBondContact O-N 3.05Å; S845-I850 WeakPolarHBondContact O-CB 3.44Å; S845-I850 WeakPolarHBondContact O-CG1 3.4Å; S845-I850 PolarHBondContact O-N 3.34Å; S845-I850 WeakPolarHBondContact OG-CB 3.23Å |
| 846 | V | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -49.3 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | T662 I842 L843 R848 G849 H854 Y855 V858 I886 | T662-V846 HydrophobicContact CG2-CB 4.01Å; T662-V846 HydrophobicContact CG2-CG1 3.83Å; I842-V846 HydrophobicContact CG2-CG2 4.43Å; I842-V846 WeakPolarHBondContact O-CG2 3.32Å; I842-V846 PolarHBondContact O-N 3.48Å; L843-V846 PolarHBondContact O-N 3.42Å; V846-R848 PolarHBondContact O-N 3.46Å; V846-R848 VanDerWaalsContact O-N 3.16Å; V846-G849 PolarHBondContact O-N 3.03Å; V846-H854 HydrophobicContact CG2-CB 3.96Å; V846-Y855 HydrophobicContact CG1-CD2 4.3Å; V846-V858 HydrophobicContact CG1-CB 3.82Å; V846-V858 HydrophobicContact CG1-CG1 3.76Å; V846-V858 HydrophobicContact CG1-CG2 4.04Å; V846-I886 HydrophobicContact CG1-CD1 4.22Å; V846-I886 WeakPolarHBondContact O-CG2 2.99Å |
| 847 | L | 97.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.8 | -18.4 | -179 | -64.3 | -172.6 | 0 | 0 | 0 | 113.5 | T662 F665 V666 L843 G849 A891 Y892 L895 | T662-L847 HydrophobicContact CG2-CD2 4.4Å; F665-L847 HydrophobicContact CB-CD1 3.97Å; F665-L847 HydrophobicContact CB-CD2 3.95Å; F665-L847 HydrophobicContact CD2-CD1 4.4Å; F665-L847 HydrophobicContact CG-CD1 4.23Å; V666-L847 HydrophobicContact CG2-CD2 3.89Å; L843-L847 HydrophobicContact CD2-CD1 3.56Å; L843-L847 HydrophobicContact CD2-CG 4.13Å; L843-L847 HydrophobicContact CG-CD1 4.39Å; L843-L847 WeakPolarHBondContact O-CG 3.21Å; L843-L847 PolarHBondContact O-N 2.89Å; L847-G849 VanDerWaalsContact C-N 3.34Å; L847-A891 HydrophobicContact CD2-CB 3.86Å; L847-Y892 HydrophobicContact CB-CD2 4.05Å; L847-L895 HydrophobicContact CD1-CB 4.21Å; L847-L895 HydrophobicContact CD1-CD2 4.03Å |
| 848 | R | 96.3 | Very high | 95.6 | Very high | 144 Ų | 144 | 41.3 Ų | 41.3 | 54% | 0.543 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 5.5 | 172.5 | -70.7 | 172.6 | -178.6 | 161.6 | 1.8 | 113.4 | L844 S845 V846 I850 Y892 | L844-R848 WeakPolarHBondContact O-CB 3.49Å; L844-R848 WeakPolarHBondContact O-CD 3.37Å; L844-R848 WeakPolarHBondContact O-CG 3.39Å; L844-R848 PolarHBondContact O-N 3.31Å; L844-R848 VanDerWaalsContact O-N 3.12Å; S845-R848 PolarHBondContact O-N 2.79Å; V846-R848 PolarHBondContact O-N 3.46Å; V846-R848 VanDerWaalsContact O-N 3.16Å; R848-I850 HydrophobicContact CB-CG1 4.35Å; R848-Y892 HydrophobicContact CG-CD2 4.12Å; R848-Y892 HydrophobicContact CG-CE2 4.19Å; R848-Y892 PolarHBondContact NH2-OH 3.43Å |
| 849 | G | 95.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 16% | 0.155 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 27.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S845 V846 L847 P851 I886 | S845-G849 PolarHBondContact O-N 3.05Å; V846-G849 PolarHBondContact O-N 3.03Å; L847-G849 VanDerWaalsContact C-N 3.34Å; G849-P851 VanDerWaalsContact O-CD 3.26Å; G849-P851 WeakPolarHBondContact O-CD 3.43Å; G849-I886 VanDerWaalsContact CA-CG2 3.49Å |
| 850 | I | 95.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 36.7 Ų | 36.7 | 43% | 0.426 | 20% | 0.195 | S | C | . | . | trans | -79.3 | 114.9 | 177.7 | -55.7 | -178.2 | 0 | 0 | 0 | 109.1 | S845 R848 S852 Y855 | S845-I850 WeakPolarHBondContact O-CB 3.44Å; S845-I850 WeakPolarHBondContact O-CG1 3.4Å; S845-I850 PolarHBondContact O-N 3.34Å; S845-I850 WeakPolarHBondContact OG-CB 3.23Å; R848-I850 HydrophobicContact CB-CG1 4.35Å; I850-S852 PolarHBondContact O-N 2.88Å; I850-S852 PolarHBondContact O-OG 3.1Å; I850-Y855 WeakPolarHBondContact O-CB 3.21Å | ||
| 851 | P | 93.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 34.1 Ų | 34.1 | 71% | 0.714 | 18% | 0.184 | S | C | * | . | trans | -61.8 | 131.5 | -177 | -23.7 | 35.5 | 0 | 0 | 0 | 112.4 | G849 | G849-P851 VanDerWaalsContact O-CD 3.26Å; G849-P851 WeakPolarHBondContact O-CD 3.43Å | ||
| 852 | S | 95.3 | Very high | 96.5 | Very high | 36 Ų | 36 | 29 Ų | 29 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -168.9 | 167.6 | -179.8 | 55.8 | 0 | 0 | 0 | 0 | 109.9 | I850 H854 Y855 E856 | I850-S852 PolarHBondContact O-N 2.88Å; I850-S852 PolarHBondContact O-OG 3.1Å; S852-H854 PolarHBondContact O-N 3.09Å; S852-Y855 WeakPolarHBondContact O-CB 3.3Å; S852-Y855 PolarHBondContact O-N 2.85Å; S852-Y855 VanDerWaalsContact O-N 3.07Å; S852-Y855 WeakPolarHBondContact OG-CB 3Å; S852-Y855 PolarHBondContact OG-N 3Å; S852-Y855 VanDerWaalsContact OG-N 3.11Å; S852-E856 PolarHBondContact O-N 3.38Å |
| 853 | A | 94.4 | Very high | 96.6 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.5 | -33 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | V826 I831 T857 | V826-A853 HydrophobicContact CG1-CB 3.99Å; I831-A853 HydrophobicContact CG2-CB 4.3Å; A853-T857 VanDerWaalsContact O-CB 3.31Å; A853-T857 WeakPolarHBondContact O-CB 3.37Å; A853-T857 PolarHBondContact O-N 2.89Å; A853-T857 PolarHBondContact O-OG1 3.39Å |
| 854 | H | 96.1 | Very high | 96.7 | Very high | 35 Ų | 35 | 28.1 Ų | 28.1 | 16% | 0.162 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 172.8 | -53.9 | 93.9 | 0 | 0 | 0 | 111.8 | F657 G830 I842 V846 S852 V858 | F657-H854 AromaticContact CD1-CD2 3.46Å; F657-H854 VanDerWaalsContact CD1-CD2 3.46Å; F657-H854 WeakPolarHBondContact CD1-CD2 3.42Å; F657-H854 HydrophobicContact CE1-CB 4Å; F657-H854 AromaticContact CE1-CD2 3.57Å; F657-H854 HydrophobicContact CE2-CB 4.18Å; F657-H854 AromaticContact CG-CD2 3.82Å; F657-H854 HydrophobicContact CZ-CB 3.72Å; F657-H854 WeakPolarHBondContact CZ-O 3.36Å; G830-H854 PolarHBondContact O-CE1 3.15Å; I842-H854 HydrophobicContact CG2-CB 3.7Å; V846-H854 HydrophobicContact CG2-CB 3.96Å; S852-H854 PolarHBondContact O-N 3.09Å; H854-V858 WeakPolarHBondContact O-CG2 3.48Å; H854-V858 PolarHBondContact O-N 3.06Å |
| 855 | Y | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.051 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 176.8 | 172.1 | -93.4 | 0 | 0 | 0 | 111.5 | V846 I850 S852 T857 V858 L859 E883 I886 | V846-Y855 HydrophobicContact CG1-CD2 4.3Å; I850-Y855 WeakPolarHBondContact O-CB 3.21Å; S852-Y855 WeakPolarHBondContact O-CB 3.3Å; S852-Y855 PolarHBondContact O-N 2.85Å; S852-Y855 VanDerWaalsContact O-N 3.07Å; S852-Y855 WeakPolarHBondContact OG-CB 3Å; S852-Y855 PolarHBondContact OG-N 3Å; S852-Y855 VanDerWaalsContact OG-N 3.11Å; Y855-T857 VanDerWaalsContact C-N 3.34Å; Y855-T857 PolarHBondContact O-N 3.05Å; Y855-V858 PolarHBondContact O-N 3.1Å; Y855-V858 VanDerWaalsContact O-N 3.16Å; Y855-L859 HydrophobicContact CD1-CD1 3.99Å; Y855-L859 HydrophobicContact CD1-CG 4.33Å; Y855-L859 HydrophobicContact CE1-CD1 3.35Å; Y855-L859 HydrophobicContact CE1-CG 3.98Å; Y855-L859 WeakPolarHBondContact O-CG 3.41Å; Y855-L859 PolarHBondContact O-N 3.37Å; Y855-E883 WeakPolarHBondContact OH-CG 3.31Å; Y855-E883 PolarHBondContact OH-OE1 3.3Å; Y855-I886 HydrophobicContact CD2-CD1 4.22Å; Y855-I886 HydrophobicContact CE2-CB 4.47Å; Y855-I886 HydrophobicContact CE2-CD1 3.82Å; Y855-I886 HydrophobicContact CE2-CG2 3.95Å |
| 856 | E | 97 | Very high | 96.7 | Very high | 66 Ų | 66 | 25.5 Ų | 25.5 | 31% | 0.308 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 179.3 | -67.6 | 178.2 | 162.4 | 0 | 0 | 112.1 | L797 F823 S852 V858 L859 L860 | L797-E856 HydrophobicContact CD1-CB 3.78Å; F823-E856 HydrophobicContact CD1-CB 3.75Å; F823-E856 HydrophobicContact CD1-CG 3.83Å; F823-E856 HydrophobicContact CE1-CB 3.77Å; F823-E856 HydrophobicContact CE1-CG 3.85Å; S852-E856 PolarHBondContact O-N 3.38Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.02Å; E856-L859 WeakPolarHBondContact O-CB 3.42Å; E856-L859 PolarHBondContact O-N 3.41Å; E856-L860 PolarHBondContact O-N 3.5Å |
| 857 | T | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -36.3 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 112 | I659 I831 A853 Y855 L860 N861 | I659-T857 HydrophobicContact CD1-CG2 3.7Å; I659-T857 HydrophobicContact CG1-CG2 4.1Å; I659-T857 HydrophobicContact CG2-CG2 4.36Å; I831-T857 HydrophobicContact CG2-CG2 4.43Å; I831-T857 VanDerWaalsContact CG2-OG1 3.3Å; I831-T857 WeakPolarHBondContact CG2-OG1 3.49Å; A853-T857 VanDerWaalsContact O-CB 3.31Å; A853-T857 WeakPolarHBondContact O-CB 3.37Å; A853-T857 PolarHBondContact O-N 2.89Å; A853-T857 PolarHBondContact O-OG1 3.39Å; Y855-T857 VanDerWaalsContact C-N 3.34Å; Y855-T857 PolarHBondContact O-N 3.05Å; T857-L860 PolarHBondContact O-N 3.39Å; T857-N861 PolarHBondContact O-N 3.47Å; T857-N861 VanDerWaalsContact O-N 3.12Å; T857-N861 PolarHBondContact O-ND2 2.82Å |
| 858 | V | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | 173.5 | 165.9 | 0 | 0 | 0 | 0 | 111.3 | F657 T662 A663 V666 V846 H854 Y855 E856 L860 N861 A862 | F657-V858 HydrophobicContact CE2-CG2 3.79Å; F657-V858 HydrophobicContact CZ-CG2 3.68Å; T662-V858 HydrophobicContact CG2-CG1 4.13Å; T662-V858 HydrophobicContact CG2-CG2 3.73Å; A663-V858 HydrophobicContact CB-CG1 4.46Å; V666-V858 HydrophobicContact CG2-CG1 3.82Å; V846-V858 HydrophobicContact CG1-CB 3.82Å; V846-V858 HydrophobicContact CG1-CG1 3.76Å; V846-V858 HydrophobicContact CG1-CG2 4.04Å; H854-V858 WeakPolarHBondContact O-CG2 3.48Å; H854-V858 PolarHBondContact O-N 3.06Å; Y855-V858 PolarHBondContact O-N 3.1Å; Y855-V858 VanDerWaalsContact O-N 3.16Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.02Å; V858-L860 VanDerWaalsContact C-N 3.27Å; V858-L860 PolarHBondContact O-N 3.39Å; V858-N861 PolarHBondContact O-N 2.94Å; V858-A862 WeakPolarHBondContact O-CB 3.29Å; V858-A862 PolarHBondContact O-N 2.93Å |
| 859 | L | 97.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.7 | -42.7 | 173.7 | -72.6 | -173.4 | 0 | 0 | 0 | 111.5 | F823 Y855 E856 G863 I879 A882 E883 I886 | F823-L859 HydrophobicContact CE1-CD1 4.42Å; F823-L859 HydrophobicContact CZ-CB 3.94Å; F823-L859 HydrophobicContact CZ-CD1 4.35Å; Y855-L859 HydrophobicContact CD1-CD1 3.99Å; Y855-L859 HydrophobicContact CD1-CG 4.33Å; Y855-L859 HydrophobicContact CE1-CD1 3.35Å; Y855-L859 HydrophobicContact CE1-CG 3.98Å; Y855-L859 WeakPolarHBondContact O-CG 3.41Å; Y855-L859 PolarHBondContact O-N 3.37Å; E856-L859 WeakPolarHBondContact O-CB 3.42Å; E856-L859 PolarHBondContact O-N 3.41Å; L859-G863 WeakPolarHBondContact O-CA 3.34Å; L859-G863 PolarHBondContact O-N 2.98Å; L859-I879 HydrophobicContact CB-CG2 4.37Å; L859-A882 HydrophobicContact CD2-CB 3.84Å; L859-E883 HydrophobicContact CD1-CB 4.34Å; L859-E883 HydrophobicContact CD2-CB 3.89Å; L859-I886 HydrophobicContact CD2-CD1 3.82Å |
| 860 | L | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -50.8 | 178 | -177.9 | 62.4 | 0 | 0 | 0 | 112.1 | A795 L797 F816 A821 F823 E856 T857 V858 G863 L864 L875 I879 | A795-L860 HydrophobicContact CB-CD2 3.84Å; A795-L860 HydrophobicContact CB-CG 4.04Å; L797-L860 HydrophobicContact CD2-CD2 4.01Å; F816-L860 HydrophobicContact CE2-CD1 3.68Å; F816-L860 HydrophobicContact CE2-CD2 4.22Å; F816-L860 HydrophobicContact CE2-CG 4.43Å; F816-L860 HydrophobicContact CZ-CD1 3.93Å; F816-L860 HydrophobicContact CZ-CD2 4.49Å; F816-L860 HydrophobicContact CZ-CG 4.48Å; A821-L860 HydrophobicContact CB-CD1 3.87Å; F823-L860 HydrophobicContact CD2-CD1 4.48Å; F823-L860 HydrophobicContact CE2-CB 4.09Å; F823-L860 HydrophobicContact CE2-CD1 4.26Å; E856-L860 PolarHBondContact O-N 3.5Å; T857-L860 PolarHBondContact O-N 3.39Å; V858-L860 VanDerWaalsContact C-N 3.27Å; V858-L860 PolarHBondContact O-N 3.39Å; L860-G863 PolarHBondContact O-N 3.28Å; L860-L864 PolarHBondContact O-N 3.18Å; L860-L875 HydrophobicContact CD1-CD1 4.25Å; L860-L875 HydrophobicContact CD1-CD2 4.01Å; L860-I879 HydrophobicContact CD1-CD1 4.38Å |
| 861 | N | 97.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.1 | -38.3 | -179 | -76.5 | -88.5 | 0 | 0 | 0 | 112.6 | I659 A663 L759 A795 T857 V858 G863 G865 | I659-N861 HydrophobicContact CG2-CB 3.89Å; I659-N861 WeakPolarHBondContact CG2-ND2 3.49Å; A663-N861 HydrophobicContact CB-CB 4.41Å; L759-N861 VanDerWaalsContact CD2-O 3.3Å; L759-N861 WeakPolarHBondContact CD2-O 3.44Å; A795-N861 PolarHBondContact N-OD1 2.88Å; A795-N861 PolarHBondContact O-ND2 3.22Å; T857-N861 PolarHBondContact O-N 3.47Å; T857-N861 VanDerWaalsContact O-N 3.12Å; T857-N861 PolarHBondContact O-ND2 2.82Å; V858-N861 PolarHBondContact O-N 2.94Å; N861-G863 VanDerWaalsContact C-N 3.35Å; N861-G865 PolarHBondContact O-N 3.38Å |
| 862 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A663 V666 L667 V858 G865 F866 A882 | A663-A862 HydrophobicContact CB-CB 4.21Å; V666-A862 HydrophobicContact CB-CB 4.01Å; V666-A862 HydrophobicContact CG1-CB 3.76Å; L667-A862 WeakPolarHBondContact CD2-O 3.37Å; V858-A862 WeakPolarHBondContact O-CB 3.29Å; V858-A862 PolarHBondContact O-N 2.93Å; A862-G865 CarbonylContact O-C 3.59Å; A862-G865 WeakPolarHBondContact O-CA 3.44Å; A862-G865 PolarHBondContact O-N 2.87Å; A862-F866 WeakPolarHBondContact O-CD2 3.38Å; A862-F866 PolarHBondContact O-N 3.39Å; A862-A882 HydrophobicContact CB-CB 3.68Å |
| 863 | G | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L859 L860 N861 G865 F866 M867 G878 | L859-G863 WeakPolarHBondContact O-CA 3.34Å; L859-G863 PolarHBondContact O-N 2.98Å; L860-G863 PolarHBondContact O-N 3.28Å; N861-G863 VanDerWaalsContact C-N 3.35Å; G863-G865 PolarHBondContact O-N 3.15Å; G863-F866 PolarHBondContact O-N 3.33Å; G863-M867 PolarHBondContact O-N 3.44Å; G863-G878 WeakPolarHBondContact CA-O 3.49Å |
| 864 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -36.3 | 168.5 | -72.8 | 166.5 | 0 | 0 | 0 | 111.8 | L759 I786 A795 F814 F816 L860 M867 A868 L875 | L759-L864 HydrophobicContact CD1-CB 4.01Å; L759-L864 HydrophobicContact CD2-CB 4.28Å; I786-L864 HydrophobicContact CG2-CD1 4.22Å; A795-L864 HydrophobicContact CB-CD1 3.62Å; F814-L864 HydrophobicContact CZ-CD2 4.19Å; F816-L864 HydrophobicContact CE1-CD1 4.4Å; F816-L864 HydrophobicContact CE1-CD2 4.21Å; F816-L864 HydrophobicContact CZ-CD1 4.14Å; L860-L864 PolarHBondContact O-N 3.18Å; L864-M867 PolarHBondContact O-N 3.26Å; L864-A868 WeakPolarHBondContact O-CB 3.21Å; L864-A868 PolarHBondContact O-N 2.86Å; L864-L875 HydrophobicContact CD2-CD1 3.87Å; L864-L875 HydrophobicContact CG-CD1 3.76Å |
| 865 | G | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N861 A862 G863 M867 A868 S869 | N861-G865 PolarHBondContact O-N 3.38Å; A862-G865 CarbonylContact O-C 3.59Å; A862-G865 WeakPolarHBondContact O-CA 3.44Å; A862-G865 PolarHBondContact O-N 2.87Å; G863-G865 PolarHBondContact O-N 3.15Å; G865-M867 VanDerWaalsContact C-N 3.31Å; G865-M867 PolarHBondContact O-N 2.8Å; G865-A868 PolarHBondContact O-N 3.48Å; G865-S869 PolarHBondContact O-N 3.05Å |
| 866 | F | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.4 | -77.3 | -65.1 | 0 | 0 | 0 | 111.5 | V666 L667 I672 A862 G863 S869 R871 V872 G878 E881 A882 | V666-F866 HydrophobicContact CG1-CE2 4.38Å; L667-F866 HydrophobicContact CD2-CD1 4.1Å; L667-F866 HydrophobicContact CD2-CD2 3.89Å; L667-F866 HydrophobicContact CD2-CE1 4.18Å; L667-F866 HydrophobicContact CD2-CE2 3.92Å; L667-F866 HydrophobicContact CD2-CG 3.96Å; L667-F866 HydrophobicContact CD2-CZ 4.09Å; I672-F866 HydrophobicContact CD1-CD1 3.54Å; I672-F866 HydrophobicContact CD1-CE1 3.68Å; I672-F866 HydrophobicContact CD1-CG 4.49Å; I672-F866 HydrophobicContact CG1-CE1 4.38Å; A862-F866 WeakPolarHBondContact O-CD2 3.38Å; A862-F866 PolarHBondContact O-N 3.39Å; G863-F866 PolarHBondContact O-N 3.33Å; F866-S869 PolarHBondContact O-N 3.49Å; F866-S869 PolarHBondContact O-OG 3.44Å; F866-R871 PolarHBondContact O-N 3.36Å; F866-V872 HydrophobicContact CB-CG2 3.93Å; F866-G878 WeakPolarHBondContact CD2-O 3.43Å; F866-E881 HydrophobicContact CD1-CB 4.25Å; F866-E881 HydrophobicContact CD2-CB 3.92Å; F866-E881 HydrophobicContact CE1-CB 4.38Å; F866-E881 HydrophobicContact CE2-CB 4.1Å; F866-E881 HydrophobicContact CG-CB 4.02Å; F866-E881 HydrophobicContact CZ-CB 4.31Å; F866-A882 HydrophobicContact CD2-CB 4.06Å; F866-A882 HydrophobicContact CE2-CB 3.82Å |
| 867 | M | 96 | Very high | 96.1 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 174.2 | -173.3 | -179.4 | 169.8 | 0 | 0 | 111.5 | R782 I784 F814 G863 L864 G865 S869 G870 V872 | R782-M867 PolarHBondContact NE-O 3.21Å; R782-M867 PolarHBondContact NH1-O 3.16Å; R782-M867 VanDerWaalsContact NH1-O 3.15Å; R782-M867 PolarHBondContact NH2-O 3.37Å; I784-M867 HydrophobicContact CD1-CB 4.14Å; I784-M867 HydrophobicContact CD1-CG 3.97Å; I784-M867 HydrophobicContact CD1-SD 4.21Å; F814-M867 HydrophobicContact CE1-CE 4.46Å; F814-M867 HydrophobicContact CZ-CE 4.42Å; G863-M867 PolarHBondContact O-N 3.44Å; L864-M867 PolarHBondContact O-N 3.26Å; G865-M867 VanDerWaalsContact C-N 3.31Å; G865-M867 PolarHBondContact O-N 2.8Å; M867-S869 VanDerWaalsContact C-N 3.28Å; M867-S869 PolarHBondContact O-N 2.77Å; M867-G870 PolarHBondContact O-N 3.12Å; M867-G870 VanDerWaalsContact O-N 3.12Å; M867-V872 HydrophobicContact CB-CG2 4.13Å |
| 868 | A | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M644 L759 R782 I784 L864 G865 G870 | M644-A868 HydrophobicContact CE-CB 3.79Å; L759-A868 HydrophobicContact CB-CB 4.38Å; R782-A868 WeakPolarHBondContact CB-O 3.5Å; R782-A868 WeakPolarHBondContact CD-O 3.13Å; R782-A868 VanDerWaalsContact CG-O 3.28Å; R782-A868 WeakPolarHBondContact CG-O 3.5Å; I784-A868 HydrophobicContact CB-CB 4.1Å; I784-A868 HydrophobicContact CD1-CB 3.85Å; I784-A868 HydrophobicContact CG1-CB 3.7Å; L864-A868 WeakPolarHBondContact O-CB 3.21Å; L864-A868 PolarHBondContact O-N 2.86Å; G865-A868 PolarHBondContact O-N 3.48Å; A868-G870 PolarHBondContact O-N 2.92Å |
| 869 | S | 95.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7 | 176.3 | 76.7 | 0 | 0 | 0 | 0 | 115 | I672 Y757 G865 F866 M867 R871 | I672-S869 WeakPolarHBondContact CD1-OG 3.45Å; Y757-S869 WeakPolarHBondContact CE2-O 3.44Å; G865-S869 PolarHBondContact O-N 3.05Å; F866-S869 PolarHBondContact O-N 3.49Å; F866-S869 PolarHBondContact O-OG 3.44Å; M867-S869 VanDerWaalsContact C-N 3.28Å; M867-S869 PolarHBondContact O-N 2.77Å; S869-R871 PolarHBondContact O-N 2.91Å; S869-R871 WeakPolarHBondContact OG-CB 3.46Å; S869-R871 PolarHBondContact OG-N 3.37Å |
| 870 | G | 92.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 34 Ų | 34 | 40% | 0.402 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | -7.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | M867 A868 V872 | M867-G870 PolarHBondContact O-N 3.12Å; M867-G870 VanDerWaalsContact O-N 3.12Å; A868-G870 PolarHBondContact O-N 2.92Å; G870-V872 PolarHBondContact O-N 3.4Å |
| 871 | R | 93 | Very high | 96.1 | Very high | 118 Ų | 118 | 36.5 Ų | 36.5 | 45% | 0.445 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -61 | -33.5 | 179.8 | -173.6 | 170.3 | 174 | 150.1 | -13.4 | 113.5 | G670 F866 S869 E881 | G670-R871 PolarHBondContact O-NH1 3.31Å; G670-R871 PolarHBondContact O-NH2 2.83Å; F866-R871 PolarHBondContact O-N 3.36Å; S869-R871 PolarHBondContact O-N 2.91Å; S869-R871 WeakPolarHBondContact OG-CB 3.46Å; S869-R871 PolarHBondContact OG-N 3.37Å; R871-E881 IonicContact CZ-OE2 3.09Å; R871-E881 IonicContact NE-OE2 3.56Å; R871-E881 PolarHBondContact NE-OE2 3.25Å; R871-E881 VanDerWaalsContact NE-OE2 3.09Å; R871-E881 IonicContact NH2-OE2 3.52Å; R871-E881 PolarHBondContact NH2-OE2 3.45Å |
| 872 | V | 95.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 9% | 0.085 | 20% | 0.198 | C | C | . | . | trans | -128.5 | 160.1 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | F866 M867 G870 D877 E881 | F866-V872 HydrophobicContact CB-CG2 3.93Å; M867-V872 HydrophobicContact CB-CG2 4.13Å; G870-V872 PolarHBondContact O-N 3.4Å; V872-D877 HydrophobicContact CB-CB 3.81Å; V872-D877 HydrophobicContact CG1-CB 3.93Å; V872-D877 HydrophobicContact CG2-CB 4.47Å; V872-E881 HydrophobicContact CG1-CG 3.83Å | ||
| 873 | K | 92.1 | Very high | 96.1 | Very high | 178 Ų | 178 | 39.9 Ų | 39.9 | 77% | 0.774 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -97 | -32.1 | -179 | -66 | -175.2 | -179.2 | -179.7 | 0 | 113 | ||
| 874 | T | 94.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 37% | 0.368 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -115.9 | 155.5 | -174.9 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | T876 D877 G878 | T874-T876 VanDerWaalsContact C-N 3.29Å; T874-T876 PolarHBondContact O-N 3.02Å; T874-D877 PolarHBondContact O-N 3.14Å; T874-D877 WeakPolarHBondContact OG1-CB 3.25Å; T874-D877 PolarHBondContact OG1-N 3.07Å; T874-D877 VanDerWaalsContact OG1-N 3.12Å; T874-D877 PolarHBondContact OG1-OD2 3.44Å; T874-G878 PolarHBondContact O-N 3.08Å; T874-G878 VanDerWaalsContact O-N 3.13Å |
| 875 | L | 95.5 | Very high | 96.1 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 174 | 177.6 | 56.3 | 0 | 0 | 0 | 111.5 | F816 A821 L860 L864 D877 G878 I879 | F816-L875 HydrophobicContact CD1-CD2 4.23Å; F816-L875 HydrophobicContact CD2-CD2 3.94Å; F816-L875 HydrophobicContact CE1-CD2 4.06Å; F816-L875 HydrophobicContact CE2-CD2 3.82Å; F816-L875 HydrophobicContact CG-CD2 4.16Å; F816-L875 HydrophobicContact CZ-CD2 3.86Å; A821-L875 HydrophobicContact CB-CD2 3.86Å; L860-L875 HydrophobicContact CD1-CD1 4.25Å; L860-L875 HydrophobicContact CD1-CD2 4.01Å; L864-L875 HydrophobicContact CD2-CD1 3.87Å; L864-L875 HydrophobicContact CG-CD1 3.76Å; L875-D877 PolarHBondContact O-N 2.84Å; L875-G878 PolarHBondContact O-N 2.64Å; L875-G878 VanDerWaalsContact O-N 3.12Å; L875-I879 HydrophobicContact CD1-CD1 4.08Å; L875-I879 HydrophobicContact CD1-CG1 4.18Å; L875-I879 HydrophobicContact CG-CD1 3.86Å; L875-I879 HydrophobicContact CG-CG1 4.45Å; L875-I879 WeakPolarHBondContact O-CG1 3.15Å; L875-I879 PolarHBondContact O-N 3.49Å |
| 876 | T | 96 | Very high | 96.1 | Very high | 92 Ų | 92 | 46 Ų | 46 | 56% | 0.564 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.7 | -46 | 178 | -49.5 | 0 | 0 | 0 | 0 | 112 | T874 G878 I879 A880 | T874-T876 VanDerWaalsContact C-N 3.29Å; T874-T876 PolarHBondContact O-N 3.02Å; T876-G878 VanDerWaalsContact C-N 3.28Å; T876-G878 PolarHBondContact O-N 3.4Å; T876-I879 PolarHBondContact O-N 2.96Å; T876-A880 PolarHBondContact O-N 3.15Å; T876-A880 VanDerWaalsContact O-N 3.1Å |
| 877 | D | 96.6 | Very high | 96.1 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 175.6 | -61.4 | -36 | 0 | 0 | 0 | 111.3 | V872 T874 L875 A880 E881 | V872-D877 HydrophobicContact CB-CB 3.81Å; V872-D877 HydrophobicContact CG1-CB 3.93Å; V872-D877 HydrophobicContact CG2-CB 4.47Å; T874-D877 PolarHBondContact O-N 3.14Å; T874-D877 WeakPolarHBondContact OG1-CB 3.25Å; T874-D877 PolarHBondContact OG1-N 3.07Å; T874-D877 VanDerWaalsContact OG1-N 3.12Å; T874-D877 PolarHBondContact OG1-OD2 3.44Å; L875-D877 PolarHBondContact O-N 2.84Å; D877-A880 PolarHBondContact O-N 3.09Å; D877-E881 PolarHBondContact O-N 3.3Å |
| 878 | G | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G863 F866 T874 L875 T876 A880 E881 A882 | G863-G878 WeakPolarHBondContact CA-O 3.49Å; F866-G878 WeakPolarHBondContact CD2-O 3.43Å; T874-G878 PolarHBondContact O-N 3.08Å; T874-G878 VanDerWaalsContact O-N 3.13Å; L875-G878 PolarHBondContact O-N 2.64Å; L875-G878 VanDerWaalsContact O-N 3.12Å; T876-G878 VanDerWaalsContact C-N 3.28Å; T876-G878 PolarHBondContact O-N 3.4Å; G878-A880 VanDerWaalsContact C-N 3.28Å; G878-A880 PolarHBondContact O-N 3.2Å; G878-E881 PolarHBondContact O-N 3.49Å; G878-A882 WeakPolarHBondContact O-CB 3.44Å; G878-A882 PolarHBondContact O-N 2.85Å |
| 879 | I | 97.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 174.6 | -71 | 162.3 | 0 | 0 | 0 | 110 | A821 F823 L859 L860 L875 T876 A882 E883 | A821-I879 HydrophobicContact CB-CD1 4.12Å; A821-I879 WeakPolarHBondContact O-CD1 3.39Å; F823-I879 HydrophobicContact CE2-CD1 3.66Å; F823-I879 HydrophobicContact CE2-CG1 4.28Å; F823-I879 HydrophobicContact CE2-CG2 4.44Å; F823-I879 HydrophobicContact CZ-CD1 4.24Å; F823-I879 HydrophobicContact CZ-CG2 3.93Å; L859-I879 HydrophobicContact CB-CG2 4.37Å; L860-I879 HydrophobicContact CD1-CD1 4.38Å; L875-I879 HydrophobicContact CD1-CD1 4.08Å; L875-I879 HydrophobicContact CD1-CG1 4.18Å; L875-I879 HydrophobicContact CG-CD1 3.86Å; L875-I879 HydrophobicContact CG-CG1 4.45Å; L875-I879 WeakPolarHBondContact O-CG1 3.15Å; L875-I879 PolarHBondContact O-N 3.49Å; T876-I879 PolarHBondContact O-N 2.96Å; I879-A882 PolarHBondContact O-N 3.16Å; I879-E883 WeakPolarHBondContact O-CB 3.17Å; I879-E883 PolarHBondContact O-N 2.92Å |
| 880 | A | 97.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T876 D877 G878 A882 E883 Q884 | T876-A880 PolarHBondContact O-N 3.15Å; T876-A880 VanDerWaalsContact O-N 3.1Å; D877-A880 PolarHBondContact O-N 3.09Å; G878-A880 VanDerWaalsContact C-N 3.28Å; G878-A880 PolarHBondContact O-N 3.2Å; A880-A882 VanDerWaalsContact C-N 3.35Å; A880-E883 PolarHBondContact O-N 2.8Å; A880-Q884 WeakPolarHBondContact O-CB 3.43Å; A880-Q884 PolarHBondContact O-N 2.97Å |
| 881 | E | 97.5 | Very high | 96.4 | Very high | 51 Ų | 51 | 54 Ų | 54 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 173.8 | -74.3 | -79.8 | 144 | 0 | 0 | 111.9 | F866 R871 V872 D877 G878 Q884 S885 | F866-E881 HydrophobicContact CD1-CB 4.25Å; F866-E881 HydrophobicContact CD2-CB 3.92Å; F866-E881 HydrophobicContact CE1-CB 4.38Å; F866-E881 HydrophobicContact CE2-CB 4.1Å; F866-E881 HydrophobicContact CG-CB 4.02Å; F866-E881 HydrophobicContact CZ-CB 4.31Å; R871-E881 IonicContact CZ-OE2 3.09Å; R871-E881 IonicContact NE-OE2 3.56Å; R871-E881 PolarHBondContact NE-OE2 3.25Å; R871-E881 VanDerWaalsContact NE-OE2 3.09Å; R871-E881 IonicContact NH2-OE2 3.52Å; R871-E881 PolarHBondContact NH2-OE2 3.45Å; V872-E881 HydrophobicContact CG1-CG 3.83Å; D877-E881 PolarHBondContact O-N 3.3Å; G878-E881 PolarHBondContact O-N 3.49Å; E881-Q884 PolarHBondContact O-N 3.46Å; E881-S885 WeakPolarHBondContact O-CB 3.44Å; E881-S885 PolarHBondContact O-N 2.92Å |
| 882 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V666 L859 A862 F866 G878 I879 A880 S885 I886 | V666-A882 HydrophobicContact CG1-CB 3.88Å; V666-A882 WeakPolarHBondContact CG1-O 3.45Å; L859-A882 HydrophobicContact CD2-CB 3.84Å; A862-A882 HydrophobicContact CB-CB 3.68Å; F866-A882 HydrophobicContact CD2-CB 4.06Å; F866-A882 HydrophobicContact CE2-CB 3.82Å; G878-A882 WeakPolarHBondContact O-CB 3.44Å; G878-A882 PolarHBondContact O-N 2.85Å; I879-A882 PolarHBondContact O-N 3.16Å; A880-A882 VanDerWaalsContact C-N 3.35Å; A882-S885 PolarHBondContact O-N 3.42Å; A882-I886 WeakPolarHBondContact O-CG1 3.21Å; A882-I886 PolarHBondContact O-N 3.42Å; A882-I886 VanDerWaalsContact O-N 3.13Å |
| 883 | E | 97.8 | Very high | 96.6 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.2 | 178.5 | 158.4 | -115.5 | 0 | 0 | 111.2 | Y855 L859 I879 A880 S885 I886 L887 | Y855-E883 WeakPolarHBondContact OH-CG 3.31Å; Y855-E883 PolarHBondContact OH-OE1 3.3Å; L859-E883 HydrophobicContact CD1-CB 4.34Å; L859-E883 HydrophobicContact CD2-CB 3.89Å; I879-E883 WeakPolarHBondContact O-CB 3.17Å; I879-E883 PolarHBondContact O-N 2.92Å; A880-E883 PolarHBondContact O-N 2.8Å; E883-S885 VanDerWaalsContact C-N 3.31Å; E883-S885 PolarHBondContact O-N 2.81Å; E883-I886 PolarHBondContact O-N 3.38Å; E883-L887 HydrophobicContact CG-CD1 3.54Å; E883-L887 HydrophobicContact CG-CG 4.01Å; E883-L887 WeakPolarHBondContact O-CB 3.03Å; E883-L887 WeakPolarHBondContact O-CG 3.49Å; E883-L887 PolarHBondContact O-N 3.35Å |
| 884 | Q | 97.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59 | -41.9 | 174.6 | -177 | -177.5 | -6.7 | 0 | 0 | 111.9 | A880 E881 I886 S888 | A880-Q884 WeakPolarHBondContact O-CB 3.43Å; A880-Q884 PolarHBondContact O-N 2.97Å; E881-Q884 PolarHBondContact O-N 3.46Å; Q884-I886 PolarHBondContact O-N 3.47Å; Q884-I886 VanDerWaalsContact C-N 3.31Å; Q884-S888 PolarHBondContact O-N 2.73Å; Q884-S888 WeakPolarHBondContact O-CB 3.46Å; Q884-S888 PolarHBondContact O-OG 3.33Å |
| 885 | S | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 178.6 | -177.1 | 0 | 0 | 0 | 0 | 112.8 | V666 G669 G670 E881 A882 E883 S888 A890 A891 | V666-S885 PolarHBondContact O-OG 3.04Å; G669-S885 VanDerWaalsContact CA-OG 3.29Å; G669-S885 WeakPolarHBondContact CA-OG 3.34Å; G670-S885 PolarHBondContact N-OG 2.95Å; E881-S885 WeakPolarHBondContact O-CB 3.44Å; E881-S885 PolarHBondContact O-N 2.92Å; A882-S885 PolarHBondContact O-N 3.42Å; E883-S885 VanDerWaalsContact C-N 3.31Å; E883-S885 PolarHBondContact O-N 2.81Å; S885-S888 PolarHBondContact O-OG 3.24Å; S885-A890 PolarHBondContact O-N 2.72Å; S885-A891 PolarHBondContact O-N 3.02Å |
| 886 | I | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.9 | -52.5 | 176.4 | -64.6 | 171.5 | 0 | 0 | 0 | 110.7 | V666 V846 G849 Y855 L859 A882 E883 Q884 S888 G889 A891 | V666-I886 HydrophobicContact CG1-CD1 4.31Å; V666-I886 HydrophobicContact CG1-CG1 4.03Å; V666-I886 HydrophobicContact CG2-CD1 3.86Å; V666-I886 HydrophobicContact CG2-CG1 3.76Å; V846-I886 HydrophobicContact CG1-CD1 4.22Å; V846-I886 WeakPolarHBondContact O-CG2 2.99Å; G849-I886 VanDerWaalsContact CA-CG2 3.49Å; Y855-I886 HydrophobicContact CD2-CD1 4.22Å; Y855-I886 HydrophobicContact CE2-CB 4.47Å; Y855-I886 HydrophobicContact CE2-CD1 3.82Å; Y855-I886 HydrophobicContact CE2-CG2 3.95Å; L859-I886 HydrophobicContact CD2-CD1 3.82Å; A882-I886 WeakPolarHBondContact O-CG1 3.21Å; A882-I886 PolarHBondContact O-N 3.42Å; A882-I886 VanDerWaalsContact O-N 3.13Å; E883-I886 PolarHBondContact O-N 3.38Å; Q884-I886 PolarHBondContact O-N 3.47Å; Q884-I886 VanDerWaalsContact C-N 3.31Å; I886-S888 VanDerWaalsContact C-N 3.29Å; I886-S888 PolarHBondContact O-N 3.38Å; I886-G889 PolarHBondContact O-N 3.03Å; I886-A891 HydrophobicContact CG1-CB 4.33Å |
| 887 | L | 96.6 | Very high | 96.6 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 59% | 0.586 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.3 | -26.3 | -173.1 | -65.9 | -177.7 | 0 | 0 | 0 | 113.4 | E883 G889 | E883-L887 HydrophobicContact CG-CD1 3.54Å; E883-L887 HydrophobicContact CG-CG 4.01Å; E883-L887 WeakPolarHBondContact O-CB 3.03Å; E883-L887 WeakPolarHBondContact O-CG 3.49Å; E883-L887 PolarHBondContact O-N 3.35Å; L887-G889 PolarHBondContact O-N 2.99Å |
| 888 | S | 96.5 | Very high | 96.4 | Very high | 79 Ų | 79 | 44 Ų | 44 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -11.9 | 172.5 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | Q884 S885 I886 A890 | Q884-S888 PolarHBondContact O-N 2.73Å; Q884-S888 WeakPolarHBondContact O-CB 3.46Å; Q884-S888 PolarHBondContact O-OG 3.33Å; S885-S888 PolarHBondContact O-OG 3.24Å; I886-S888 VanDerWaalsContact C-N 3.29Å; I886-S888 PolarHBondContact O-N 3.38Å; S888-A890 VanDerWaalsContact C-N 3.26Å; S888-A890 PolarHBondContact OG-N 3.26Å; S888-A890 WeakPolarHBondContact OG-CB 3.47Å; S888-A890 PolarHBondContact O-N 2.96Å |
| 889 | G | 96 | Very high | 96.2 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 84.2 | -9.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I886 L887 A891 Y892 D893 | I886-G889 PolarHBondContact O-N 3.03Å; L887-G889 PolarHBondContact O-N 2.99Å; G889-A891 VanDerWaalsContact C-N 3.31Å; G889-A891 PolarHBondContact O-N 3.26Å; G889-Y892 PolarHBondContact O-N 3.1Å; G889-Y892 VanDerWaalsContact O-N 3.09Å; G889-D893 PolarHBondContact O-N 2.95Å |
| 890 | A | 97.2 | Very high | 95.9 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -39.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G669 S885 S888 D893 R894 | G669-A890 WeakPolarHBondContact O-CB 3.44Å; S885-A890 PolarHBondContact O-N 2.72Å; S888-A890 VanDerWaalsContact C-N 3.26Å; S888-A890 PolarHBondContact OG-N 3.26Å; S888-A890 WeakPolarHBondContact OG-CB 3.47Å; S888-A890 PolarHBondContact O-N 2.96Å; A890-D893 PolarHBondContact O-N 3.19Å; A890-R894 PolarHBondContact O-N 2.98Å; A890-R894 VanDerWaalsContact O-N 3.12Å; A890-R894 WeakPolarHBondContact O-CG 3.37Å |
| 891 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F665 V666 L847 S885 I886 G889 R894 | F665-A891 WeakPolarHBondContact O-CA 3.43Å; V666-A891 HydrophobicContact CB-CB 4.49Å; V666-A891 HydrophobicContact CG2-CB 4.23Å; L847-A891 HydrophobicContact CD2-CB 3.86Å; S885-A891 PolarHBondContact O-N 3.02Å; I886-A891 HydrophobicContact CG1-CB 4.33Å; G889-A891 VanDerWaalsContact C-N 3.31Å; G889-A891 PolarHBondContact O-N 3.26Å; A891-R894 PolarHBondContact O-N 3.47Å |
| 892 | Y | 96.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 45 Ų | 45 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -39.3 | 175.7 | -175.2 | -98.3 | 0 | 0 | 0 | 111.8 | L844 L847 R848 G889 R894 L895 Q896 | L844-Y892 HydrophobicContact CD2-CE2 3.83Å; L847-Y892 HydrophobicContact CB-CD2 4.05Å; R848-Y892 HydrophobicContact CG-CD2 4.12Å; R848-Y892 HydrophobicContact CG-CE2 4.19Å; R848-Y892 PolarHBondContact NH2-OH 3.43Å; G889-Y892 PolarHBondContact O-N 3.1Å; G889-Y892 VanDerWaalsContact O-N 3.09Å; Y892-R894 VanDerWaalsContact C-N 3.28Å; Y892-R894 PolarHBondContact O-N 3.48Å; Y892-L895 WeakPolarHBondContact O-CB 3.34Å; Y892-L895 PolarHBondContact O-N 2.92Å; Y892-Q896 PolarHBondContact O-N 3.23Å; Y892-Q896 VanDerWaalsContact O-N 3.16Å; Y892-Q896 HydrophobicContact CE1-CG 3.76Å; Y892-Q896 HydrophobicContact CD1-CG 4.1Å |
| 893 | D | 96 | Very high | 94.3 | Very high | 85 Ų | 85 | 51.3 Ų | 51.3 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 178 | -72.9 | -14.7 | 0 | 0 | 0 | 112 | G889 A890 L895 Q896 Q897 | G889-D893 PolarHBondContact O-N 2.95Å; A890-D893 PolarHBondContact O-N 3.19Å; D893-L895 PolarHBondContact O-N 3.48Å; D893-Q896 PolarHBondContact O-N 2.91Å; D893-Q897 WeakPolarHBondContact O-CB 3.49Å; D893-Q897 VanDerWaalsContact O-CG 3.3Å; D893-Q897 WeakPolarHBondContact O-CG 3.38Å; D893-Q897 PolarHBondContact O-N 3.41Å |
| 894 | R | 95.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 174.5 | -69.3 | -68.3 | -178 | -159.6 | 2.2 | 113.1 | F665 A668 A713 I715 A890 A891 Y892 Q897 L898 | F665-R894 HydrophobicContact CD1-CB 4.43Å; A668-R894 HydrophobicContact CB-CB 4.26Å; A668-R894 HydrophobicContact CB-CG 3.94Å; A668-R894 PolarHBondContact O-NE 3.12Å; A713-R894 WeakPolarHBondContact O-CD 3.38Å; A713-R894 PolarHBondContact O-NH1 2.97Å; I715-R894 HydrophobicContact CG2-CB 4.48Å; A890-R894 PolarHBondContact O-N 2.98Å; A890-R894 VanDerWaalsContact O-N 3.12Å; A890-R894 WeakPolarHBondContact O-CG 3.37Å; A891-R894 PolarHBondContact O-N 3.47Å; Y892-R894 VanDerWaalsContact C-N 3.28Å; Y892-R894 PolarHBondContact O-N 3.48Å; R894-Q897 PolarHBondContact O-N 3.35Å; R894-L898 PolarHBondContact O-N 3.5Å; R894-L898 WeakPolarHBondContact O-CB 3.37Å |
| 895 | L | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 173.3 | 171.1 | 63.6 | 0 | 0 | 0 | 111 | F665 L695 I697 L843 L844 L847 Y892 D893 L898 I899 | F665-L895 HydrophobicContact CD1-CB 3.9Å; F665-L895 HydrophobicContact CE1-CB 3.89Å; F665-L895 HydrophobicContact CE1-CD1 3.84Å; F665-L895 HydrophobicContact CE1-CG 4.49Å; F665-L895 HydrophobicContact CE2-CD1 4.24Å; F665-L895 HydrophobicContact CG-CB 4.47Å; F665-L895 HydrophobicContact CZ-CB 4.43Å; F665-L895 HydrophobicContact CZ-CD1 3.63Å; L695-L895 HydrophobicContact CD1-CD1 3.98Å; L695-L895 HydrophobicContact CD2-CD2 4.23Å; I697-L895 HydrophobicContact CD1-CD1 4.09Å; L843-L895 HydrophobicContact CD2-CD2 3.87Å; L844-L895 HydrophobicContact CD2-CD2 3.74Å; L847-L895 HydrophobicContact CD1-CB 4.21Å; L847-L895 HydrophobicContact CD1-CD2 4.03Å; Y892-L895 WeakPolarHBondContact O-CB 3.34Å; Y892-L895 PolarHBondContact O-N 2.92Å; D893-L895 PolarHBondContact O-N 3.48Å; L895-L898 PolarHBondContact O-N 2.51Å; L895-I899 HydrophobicContact CD1-CG1 4.47Å; L895-I899 HydrophobicContact CG-CD1 4.18Å; L895-I899 WeakPolarHBondContact O-CG1 3.33Å; L895-I899 PolarHBondContact O-N 3.41Å; L895-I899 HydrophobicContact CD1-CD1 4.02Å |
| 896 | Q | 94.1 | Very high | 90.2 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 177.9 | -63.7 | -57.6 | -55 | 0 | 0 | 111.7 | Y892 D893 L898 I899 V900 | Y892-Q896 PolarHBondContact O-N 3.23Å; Y892-Q896 VanDerWaalsContact O-N 3.16Å; Y892-Q896 HydrophobicContact CE1-CG 3.76Å; Y892-Q896 HydrophobicContact CD1-CG 4.1Å; D893-Q896 PolarHBondContact O-N 2.91Å; Q896-L898 PolarHBondContact O-N 3Å; Q896-I899 PolarHBondContact O-N 2.9Å; Q896-V900 VanDerWaalsContact O-CG2 3.32Å; Q896-V900 WeakPolarHBondContact O-CG2 3.31Å; Q896-V900 PolarHBondContact O-N 3.47Å |
| 897 | Q | 93.1 | Very high | 89.9 | Confident | 74 Ų | 74 | 57.2 Ų | 57.2 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176.7 | -75.5 | 177.8 | 3.1 | 0 | 0 | 111.6 | A713 D893 R894 I899 V900 K901 | A713-Q897 HydrophobicContact CB-CB 4.1Å; D893-Q897 WeakPolarHBondContact O-CB 3.49Å; D893-Q897 VanDerWaalsContact O-CG 3.3Å; D893-Q897 WeakPolarHBondContact O-CG 3.38Å; D893-Q897 PolarHBondContact O-N 3.41Å; R894-Q897 PolarHBondContact O-N 3.35Å; Q897-I899 VanDerWaalsContact C-N 3.33Å; Q897-I899 PolarHBondContact O-N 2.8Å; Q897-V900 PolarHBondContact O-N 3.49Å; Q897-K901 WeakPolarHBondContact O-CB 3.47Å; Q897-K901 WeakPolarHBondContact O-CG 3.35Å; Q897-K901 PolarHBondContact O-N 3.48Å |
| 898 | L | 93.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.2 | 179 | 57.4 | 0 | 0 | 0 | 111.8 | F665 I697 L709 A713 I715 R894 L895 Q896 Q902 | F665-L898 HydrophobicContact CE1-CD2 3.97Å; F665-L898 HydrophobicContact CZ-CD2 4.15Å; I697-L898 HydrophobicContact CD1-CD2 3.69Å; I697-L898 HydrophobicContact CD1-CG 4.11Å; I697-L898 HydrophobicContact CG1-CG 4.49Å; L709-L898 HydrophobicContact CB-CD1 4.25Å; L709-L898 HydrophobicContact CD1-CD1 4.21Å; L709-L898 HydrophobicContact CD2-CD1 4.21Å; L709-L898 HydrophobicContact CG-CD1 4.44Å; A713-L898 HydrophobicContact CB-CB 4.31Å; I715-L898 HydrophobicContact CG2-CB 4.26Å; I715-L898 HydrophobicContact CG2-CD2 4.2Å; I715-L898 WeakPolarHBondContact O-CD1 3.14Å; R894-L898 PolarHBondContact O-N 3.5Å; R894-L898 WeakPolarHBondContact O-CB 3.37Å; L895-L898 PolarHBondContact O-N 2.51Å; Q896-L898 PolarHBondContact O-N 3Å; L898-Q902 WeakPolarHBondContact O-CB 3.34Å; L898-Q902 PolarHBondContact O-N 3.38Å |
| 899 | I | 92 | Very high | 89.1 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 177.9 | -65.8 | 165.1 | 0 | 0 | 0 | 110.8 | L695 I697 L895 Q896 Q897 Q902 Q903 | L695-I899 WeakPolarHBondContact O-CD1 3.48Å; I697-I899 HydrophobicContact CD1-CG1 4.25Å; I697-I899 HydrophobicContact CG1-CG1 3.86Å; L895-I899 HydrophobicContact CD1-CG1 4.47Å; L895-I899 HydrophobicContact CG-CD1 4.18Å; L895-I899 WeakPolarHBondContact O-CG1 3.33Å; L895-I899 PolarHBondContact O-N 3.41Å; L895-I899 HydrophobicContact CD1-CD1 4.02Å; Q896-I899 PolarHBondContact O-N 2.9Å; Q897-I899 VanDerWaalsContact C-N 3.33Å; Q897-I899 PolarHBondContact O-N 2.8Å; I899-Q902 PolarHBondContact O-N 3.1Å; I899-Q903 PolarHBondContact O-N 3.26Å; I899-Q903 WeakPolarHBondContact O-CG 3.36Å |
| 900 | V | 91.5 | Very high | 88.7 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | -178.8 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | Q896 Q897 Q902 Q903 E904 | Q896-V900 VanDerWaalsContact O-CG2 3.32Å; Q896-V900 WeakPolarHBondContact O-CG2 3.31Å; Q896-V900 PolarHBondContact O-N 3.47Å; Q897-V900 PolarHBondContact O-N 3.49Å; V900-Q902 VanDerWaalsContact C-N 3.31Å; V900-Q902 PolarHBondContact O-N 3.45Å; V900-Q903 WeakPolarHBondContact O-CB 3.48Å; V900-Q903 PolarHBondContact O-N 2.7Å; V900-Q903 VanDerWaalsContact O-N 3.09Å; V900-E904 HydrophobicContact CG1-CG 4.47Å; V900-E904 PolarHBondContact O-N 3.08Å |
| 901 | K | 91.1 | Very high | 88.2 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 19% | 0.191 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.7 | -30 | -178.7 | -65.8 | -67.9 | 167.8 | -164.6 | 0 | 112.7 | Y708 L709 E712 A713 Q897 Q903 E904 A905 | Y708-K901 HydrophobicContact CE1-CB 4.07Å; Y708-K901 HydrophobicContact CE1-CD 4.26Å; Y708-K901 WeakPolarHBondContact OH-CD 3.5Å; L709-K901 HydrophobicContact CD2-CB 3.76Å; E712-K901 HydrophobicContact CB-CD 3.99Å; E712-K901 HydrophobicContact CB-CG 4.29Å; A713-K901 HydrophobicContact CB-CG 4.4Å; Q897-K901 WeakPolarHBondContact O-CB 3.47Å; Q897-K901 WeakPolarHBondContact O-CG 3.35Å; Q897-K901 PolarHBondContact O-N 3.48Å; K901-Q903 VanDerWaalsContact C-N 3.31Å; K901-Q903 PolarHBondContact O-N 2.81Å; K901-E904 IonicContact NZ-OE1 3.79Å; K901-E904 PolarHBondContact O-N 3.48Å; K901-E904 PolarHBondContact NZ-OE2 2.9Å; K901-E904 IonicContact NZ-OE2 2.7Å; K901-E904 WeakPolarHBondContact CD-OE2 3.38Å; K901-A905 WeakPolarHBondContact O-CB 3.47Å; K901-A905 PolarHBondContact O-N 2.88Å; K901-A905 VanDerWaalsContact O-N 3.12Å |
| 902 | Q | 86.1 | Confident | 87.6 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 171.1 | -91.1 | -161 | -9.6 | 0 | 0 | 113.3 | I697 T698 K705 L709 L898 I899 V900 A906 | I697-Q902 VanDerWaalsContact CA-OE1 3.25Å; T698-Q902 PolarHBondContact O-NE2 3.05Å; K705-Q902 WeakPolarHBondContact CE-O 3.19Å; K705-Q902 PolarHBondContact NZ-O 2.69Å; L709-Q902 HydrophobicContact CD1-CG 3.51Å; L709-Q902 HydrophobicContact CD2-CB 4.28Å; L709-Q902 HydrophobicContact CD2-CG 3.61Å; L709-Q902 HydrophobicContact CG-CG 4.2Å; L898-Q902 WeakPolarHBondContact O-CB 3.34Å; L898-Q902 PolarHBondContact O-N 3.38Å; I899-Q902 PolarHBondContact O-N 3.1Å; V900-Q902 VanDerWaalsContact C-N 3.31Å; V900-Q902 PolarHBondContact O-N 3.45Å; Q902-A906 PolarHBondContact O-N 3.37Å |
| 903 | Q | 82.6 | Confident | 87 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.5 | -36.6 | 176.9 | -66.2 | 173 | -3.3 | 0 | 0 | 111.8 | I899 V900 K901 A905 A906 | I899-Q903 PolarHBondContact O-N 3.26Å; I899-Q903 WeakPolarHBondContact O-CG 3.36Å; V900-Q903 WeakPolarHBondContact O-CB 3.48Å; V900-Q903 PolarHBondContact O-N 2.7Å; V900-Q903 VanDerWaalsContact O-N 3.09Å; K901-Q903 VanDerWaalsContact C-N 3.31Å; K901-Q903 PolarHBondContact O-N 2.81Å; Q903-A905 VanDerWaalsContact C-N 3.31Å; Q903-A905 PolarHBondContact O-N 2.95Å; Q903-A906 PolarHBondContact O-N 2.7Å |
| 904 | E | 80.9 | Confident | 86.3 | Confident | 107 Ų | 107 | 58.8 Ų | 58.8 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -31.8 | 175.1 | -71.6 | 178.1 | -169.9 | 0 | 0 | 113 | Y708 V900 K901 | Y708-E904 PolarHBondContact OH-OE2 3.41Å; V900-E904 HydrophobicContact CG1-CG 4.47Å; V900-E904 PolarHBondContact O-N 3.08Å; K901-E904 IonicContact NZ-OE1 3.79Å; K901-E904 PolarHBondContact O-N 3.48Å; K901-E904 PolarHBondContact NZ-OE2 2.9Å; K901-E904 IonicContact NZ-OE2 2.7Å; K901-E904 WeakPolarHBondContact CD-OE2 3.38Å |
| 905 | A | 67.6 | Low | 85.5 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 9.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K705 Y708 K901 Q903 | K705-A905 HydrophobicContact CD-CB 4.02Å; K705-A905 WeakPolarHBondContact CE-O 3.34Å; K705-A905 HydrophobicContact CG-CB 4.11Å; K705-A905 PolarHBondContact NZ-O 3.06Å; Y708-A905 HydrophobicContact CD1-CB 3.73Å; Y708-A905 HydrophobicContact CE1-CB 3.72Å; K901-A905 WeakPolarHBondContact O-CB 3.47Å; K901-A905 PolarHBondContact O-N 2.88Å; K901-A905 VanDerWaalsContact O-N 3.12Å; Q903-A905 VanDerWaalsContact C-N 3.31Å; Q903-A905 PolarHBondContact O-N 2.95Å |
| 906 | A | 58.5 | Low | 84.6 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 100% | 1.058 | 36% | 0.359 | S | S | * | . | trans | -95.1 | 0 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q902 Q903 | Q902-A906 PolarHBondContact O-N 3.37Å; Q903-A906 PolarHBondContact O-N 2.7Å |
Retrieved 906 of 906 residues in 202.7 ms
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