| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 76.3 | Confident | 241 Ų | 241 | 82.2 Ų | 82.2 | 100% | 1.187 | 49% | 0.485 | S | S | * | . | 0 | 108 | 0 | -69.4 | -55.3 | -172.1 | 0 | 0 | 108.3 | |||||
| 2 | S | 53.3 | Low | 78 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 78% | 0.783 | 45% | 0.445 | S | S | * | . | trans | -76.9 | 124.4 | 169.3 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | T | 55.4 | Low | 79.4 | Confident | 106 Ų | 106 | 71.5 Ų | 71.5 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | trans | -63 | 134.7 | 173.3 | 41.2 | 0 | 0 | 0 | 0 | 108.9 | L5 | T3-L5 PolarHBondContact O-N 3.28Š| ||
| 4 | P | 60.7 | Low | 80.7 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 77% | 0.773 | 40% | 0.397 | S | S | * | . | trans | -66.7 | 105.6 | 177.9 | 26.4 | -32.7 | 0 | 0 | 0 | 109 | I6 | P4-I6 PolarHBondContact O-N 3.41Š| ||
| 5 | L | 79 | Confident | 81.7 | Confident | 64 Ų | 64 | 71.1 Ų | 71.1 | 34% | 0.335 | 41% | 0.406 | S | S | . | . | trans | -69.7 | 5.6 | -176.3 | -68.7 | 166.4 | 0 | 0 | 0 | 113.8 | T3 G7 S8 L24 V75 | T3-L5 PolarHBondContact O-N 3.28Å; L5-G7 PolarHBondContact O-N 3.46Å; L5-S8 WeakPolarHBondContact O-CB 3.26Å; L5-S8 PolarHBondContact O-N 3.39Å; L5-S8 PolarHBondContact O-OG 3.09Å; L5-L24 HydrophobicContact CB-CD2 3.89Å; L5-V75 HydrophobicContact CD1-CG2 3.81Å; L5-V75 HydrophobicContact CD2-CG1 3.95Å; L5-V75 HydrophobicContact CD2-CG2 4.04Å; L5-V75 HydrophobicContact CG-CG2 4.48Å | ||
| 6 | I | 87.9 | Confident | 82.5 | Confident | 100 Ų | 100 | 71 Ų | 71 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 138.3 | -179.2 | -117.3 | 72.3 | 0 | 0 | 0 | 110.2 | P4 S8 L24 Y25 | P4-I6 PolarHBondContact O-N 3.41Å; I6-S8 PolarHBondContact O-N 3.14Å; I6-L24 HydrophobicContact CD1-CD2 3.92Å; I6-L24 HydrophobicContact CD1-CG 3.92Å; I6-Y25 VanDerWaalsContact CG1-O 3.25Å; I6-Y25 WeakPolarHBondContact CG1-O 3.24Å |
| 7 | G | 90.2 | Very high | 83.2 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -7.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L5 I23 L24 | L5-G7 PolarHBondContact O-N 3.46Å; G7-I23 WeakPolarHBondContact O-CG2 3.47Å; G7-L24 PolarHBondContact N-O 2.84Å |
| 8 | S | 92.1 | Very high | 84 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | trans | -71.1 | 151 | 174.1 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | L5 I6 I23 L24 | L5-S8 WeakPolarHBondContact O-CB 3.26Å; L5-S8 PolarHBondContact O-N 3.39Å; L5-S8 PolarHBondContact O-OG 3.09Å; I6-S8 PolarHBondContact O-N 3.14Å; S8-I23 WeakPolarHBondContact O-CA 3.32Å; S8-L24 PolarHBondContact O-N 3.08Å | ||
| 9 | K | 94 | Very high | 84.6 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 32% | 0.317 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.1 | 174.6 | -156.7 | -174.7 | -167.3 | -154.7 | 0 | 109.2 | E21 G22 R76 T78 | K9-E21 HydrophobicContact CD-CG 4.41Å; K9-E21 VanDerWaalsContact CE-OE1 3.28Å; K9-E21 WeakPolarHBondContact CE-OE1 3.23Å; K9-E21 WeakPolarHBondContact CE-OE2 3.4Å; K9-E21 HydrophobicContact CG-CG 4.4Å; K9-E21 IonicContact NZ-OE1 2.67Å; K9-E21 PolarHBondContact NZ-OE1 3.04Å; K9-E21 IonicContact NZ-OE2 2.91Å; K9-E21 PolarHBondContact NZ-OE2 3.39Å; K9-G22 CarbonylContact C-O 3.59Å; K9-G22 WeakPolarHBondContact CA-O 3.35Å; K9-G22 WeakPolarHBondContact CG-O 3.41Å; K9-R76 HydrophobicContact CB-CB 4.25Å; K9-R76 WeakPolarHBondContact CB-O 3.36Å; K9-R76 CarbonylContact O-C 3.56Å; K9-R76 WeakPolarHBondContact O-CA 3.32Å; K9-R76 PolarHBondContact O-N 2.93Å; K9-R76 VanDerWaalsContact O-O 3.04Å; K9-T78 HydrophobicContact CB-CG2 4.45Å |
| 10 | I | 94.3 | Very high | 85.3 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136 | 179.3 | -66.6 | -175.4 | 0 | 0 | 0 | 109.9 | L12 E21 G22 L24 L36 L73 | I10-L12 HydrophobicContact CG2-CB 4.29Å; I10-E21 WeakPolarHBondContact O-CA 3.39Å; I10-G22 PolarHBondContact N-O 3.4Å; I10-G22 PolarHBondContact O-N 3.07Å; I10-L24 HydrophobicContact CD1-CB 3.72Å; I10-L24 HydrophobicContact CD1-CD1 3.97Å; I10-L24 HydrophobicContact CD1-CD2 4Å; I10-L24 HydrophobicContact CD1-CG 4.1Å; I10-L24 HydrophobicContact CG1-CB 4.36Å; I10-L36 HydrophobicContact CB-CD2 4.14Å; I10-L36 HydrophobicContact CD1-CD2 4.13Å; I10-L36 HydrophobicContact CG2-CD1 4.39Å; I10-L36 HydrophobicContact CG2-CD2 4.46Å; I10-L73 HydrophobicContact CD1-CD2 4.29Å; I10-L73 HydrophobicContact CG2-CD1 4.42Å; I10-L73 HydrophobicContact CG2-CD2 3.97Å; I10-L73 HydrophobicContact CG2-CG 3.83Å |
| 11 | S | 95.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 113.7 | 165.2 | 172.6 | 0 | 0 | 0 | 0 | 108 | Y20 L74 | S11-Y20 WeakPolarHBondContact CA-O 3.42Å; S11-L74 PolarHBondContact N-O 2.97Å; S11-L74 PolarHBondContact O-N 2.97Å |
| 12 | L | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.8 | -175.9 | -179 | 157 | 0 | 0 | 0 | 109.4 | I10 R19 Y20 L36 F65 I70 | I10-L12 HydrophobicContact CG2-CB 4.29Å; L12-R19 WeakPolarHBondContact O-CA 3.22Å; L12-Y20 HydrophobicContact CD2-CD2 4.09Å; L12-Y20 PolarHBondContact N-O 3.43Å; L12-Y20 PolarHBondContact O-N 3.22Å; L12-L36 HydrophobicContact CB-CD1 4.35Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å; L12-F65 HydrophobicContact CD1-CB 4.16Å; L12-F65 HydrophobicContact CD1-CD1 4.21Å; L12-F65 HydrophobicContact CD1-CD2 3.79Å; L12-F65 HydrophobicContact CD1-CE2 4.21Å; L12-F65 HydrophobicContact CD1-CG 3.79Å; L12-F65 HydrophobicContact CD2-CD1 3.82Å; L12-F65 HydrophobicContact CD2-CE1 3.78Å; L12-F65 HydrophobicContact CD2-CG 4.26Å; L12-F65 HydrophobicContact CD2-CZ 4.18Å; L12-I70 HydrophobicContact CD1-CD1 3.71Å; L12-I70 HydrophobicContact CD1-CG1 3.99Å; L12-I70 HydrophobicContact CD2-CG1 4.4Å; L12-I70 HydrophobicContact CG-CD1 4.44Å; L12-I70 HydrophobicContact CG-CG1 4.3Å; L12-I70 HydrophobicContact CG-CG2 4.18Å |
| 13 | I | 96.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125 | 172.3 | -56.3 | 178.6 | 0 | 0 | 0 | 108.3 | I18 R19 K71 D72 | I13-I18 WeakPolarHBondContact CA-O 3.38Å; I13-R19 HydrophobicContact CG1-CB 4.41Å; I13-K71 PolarHBondContact O-N 3.36Å; I13-D72 HydrophobicContact CB-CB 4.27Å; I13-D72 HydrophobicContact CD1-CB 4.45Å; I13-D72 PolarHBondContact N-O 3.46Å; I13-D72 PolarHBondContact O-N 3.12Å |
| 14 | S | 96.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 169.4 | 177.4 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | S16 E17 I18 D69 | S14-S16 PolarHBondContact O-N 3.33Å; S14-E17 WeakPolarHBondContact O-CA 3.31Å; S14-E17 PolarHBondContact O-N 3.06Å; S14-I18 PolarHBondContact N-O 3.06Å; S14-I18 VanDerWaalsContact N-O 3.09Å; S14-D69 CarbonylContact C-O 3.48Å; S14-D69 WeakPolarHBondContact CA-O 3.42Å |
| 15 | K | 95.7 | Very high | 94.2 | Very high | 123 Ų | 123 | 44.3 Ų | 44.3 | 54% | 0.535 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -38.6 | 170.1 | -81.4 | 178 | 179.2 | 155.4 | 0 | 113.6 | E17 T68 D69 | K15-E17 PolarHBondContact O-N 2.8Å; K15-T68 WeakPolarHBondContact CE-O 3.14Å; K15-T68 PolarHBondContact NZ-O 2.9Å; K15-D69 HydrophobicContact CD-CB 4.38Å; K15-D69 PolarHBondContact N-O 2.95Å; K15-D69 IonicContact NZ-OD1 2.73Å; K15-D69 PolarHBondContact NZ-OD1 3.5Å |
| 16 | S | 94.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 10.5 | 175.1 | -44.4 | 0 | 0 | 0 | 0 | 113.7 | S14 I18 | S14-S16 PolarHBondContact O-N 3.33Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.12Å |
| 17 | E | 95.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | trans | 57 | 24 | -178.3 | -45.8 | -157.6 | 124.3 | 0 | 0 | 114.9 | S14 K15 R47 R48 T49 K71 | S14-E17 WeakPolarHBondContact O-CA 3.31Å; S14-E17 PolarHBondContact O-N 3.06Å; K15-E17 PolarHBondContact O-N 2.8Å; E17-R47 HydrophobicContact CB-CB 4.06Å; E17-R47 VanDerWaalsContact O-CZ 3.23Å; E17-R47 PolarHBondContact O-NE 2.97Å; E17-R47 PolarHBondContact O-NH2 3.5Å; E17-R47 WeakPolarHBondContact OE2-CB 3.47Å; E17-R48 PolarHBondContact OE2-N 3.05Å; E17-R48 VanDerWaalsContact OE2-O 3.12Å; E17-T49 HydrophobicContact CB-CG2 4.44Å; E17-T49 WeakPolarHBondContact CB-OG1 3.41Å; E17-T49 PolarHBondContact OE2-N 2.92Å; E17-T49 PolarHBondContact OE2-OG1 2.9Å; E17-K71 IonicContact OE1-NZ 3.96Å; E17-K71 PolarHBondContact OE1-NZ 3.09Å | ||
| 18 | I | 96.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | -86.3 | 129.8 | 175.5 | -54.8 | 168.6 | 0 | 0 | 0 | 108.5 | I13 S14 S16 Y20 S41 G43 I53 | I13-I18 WeakPolarHBondContact CA-O 3.38Å; S14-I18 PolarHBondContact N-O 3.06Å; S14-I18 VanDerWaalsContact N-O 3.09Å; S16-I18 PolarHBondContact O-N 2.93Å; S16-I18 VanDerWaalsContact O-N 3.12Å; I18-Y20 HydrophobicContact CB-CD2 4.46Å; I18-Y20 HydrophobicContact CB-CE2 3.66Å; I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE1 4.16Å; I18-Y20 HydrophobicContact CG2-CE2 3.55Å; I18-Y20 WeakPolarHBondContact O-CD2 3.47Å; I18-S41 WeakPolarHBondContact CG2-OG 3.46Å; I18-G43 WeakPolarHBondContact CA-O 3.34Å; I18-I53 HydrophobicContact CD1-CD1 3.48Å; I18-I53 VanDerWaalsContact CD1-CD1 3.48Å; I18-I53 HydrophobicContact CG1-CD1 3.85Å | ||
| 19 | R | 97 | Very high | 95.5 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 25% | 0.253 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.9 | 172.8 | 179.2 | 161.3 | 73.8 | 176.7 | 0.5 | 110.5 | L12 I13 F42 G43 E45 R47 | L12-R19 WeakPolarHBondContact O-CA 3.22Å; I13-R19 HydrophobicContact CG1-CB 4.41Å; R19-F42 HydrophobicContact CB-CB 4.26Å; R19-F42 HydrophobicContact CG-CB 4.49Å; R19-F42 PolarHBondContact O-N 3.04Å; R19-G43 PolarHBondContact N-O 2.93Å; R19-E45 IonicContact CZ-OE1 2.72Å; R19-E45 IonicContact CZ-OE2 3.7Å; R19-E45 IonicContact NE-OE1 3.48Å; R19-E45 PolarHBondContact NE-OE1 3.31Å; R19-E45 VanDerWaalsContact NE-OE1 3.08Å; R19-E45 IonicContact NE-OE2 3.95Å; R19-E45 PolarHBondContact NE-OE2 3.06Å; R19-E45 IonicContact NH1-OE2 3.36Å; R19-E45 VanDerWaalsContact NH2-CD 3.29Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 2.71Å; R19-E45 PolarHBondContact NH2-OE2 3.34Å; R19-R47 VanDerWaalsContact CB-NH2 3.34Å; R19-R47 VanDerWaalsContact N-NH2 3.19Å |
| 20 | Y | 97.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 51.7 Ų | 51.7 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.5 | 172 | -60.4 | -89.6 | 0 | 0 | 0 | 109.4 | S11 L12 I18 V39 R40 I63 F65 | S11-Y20 WeakPolarHBondContact CA-O 3.42Å; L12-Y20 HydrophobicContact CD2-CD2 4.09Å; L12-Y20 PolarHBondContact N-O 3.43Å; L12-Y20 PolarHBondContact O-N 3.22Å; I18-Y20 HydrophobicContact CB-CD2 4.46Å; I18-Y20 HydrophobicContact CB-CE2 3.66Å; I18-Y20 HydrophobicContact CG2-CD2 4.21Å; I18-Y20 HydrophobicContact CG2-CE1 4.16Å; I18-Y20 HydrophobicContact CG2-CE2 3.55Å; I18-Y20 WeakPolarHBondContact O-CD2 3.47Å; Y20-V39 HydrophobicContact CD1-CG1 4.21Å; Y20-R40 WeakPolarHBondContact CA-O 3.11Å; Y20-I63 HydrophobicContact CD1-CD1 4.36Å; Y20-I63 HydrophobicContact CE1-CD1 4.46Å; Y20-F65 HydrophobicContact CD1-CZ 4.03Å; Y20-F65 AromaticContact CD2-CE1 3.83Å; Y20-F65 HydrophobicContact CD2-CE1 3.83Å; Y20-F65 AromaticContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CE1-CZ 4.46Å; Y20-F65 AromaticContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CZ 4.38Å; Y20-F65 HydrophobicContact CG-CE1 4.13Å; Y20-F65 AromaticContact CG-CZ 3.73Å; Y20-F65 HydrophobicContact CG-CZ 3.73Å |
| 21 | E | 96.3 | Very high | 95.6 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.8 | 171.1 | -157.3 | -174.2 | -150.8 | 0 | 0 | 109.4 | K9 I10 V39 R40 F42 R76 | K9-E21 HydrophobicContact CD-CG 4.41Å; K9-E21 VanDerWaalsContact CE-OE1 3.28Å; K9-E21 WeakPolarHBondContact CE-OE1 3.23Å; K9-E21 WeakPolarHBondContact CE-OE2 3.4Å; K9-E21 HydrophobicContact CG-CG 4.4Å; K9-E21 IonicContact NZ-OE1 2.67Å; K9-E21 PolarHBondContact NZ-OE1 3.04Å; K9-E21 IonicContact NZ-OE2 2.91Å; K9-E21 PolarHBondContact NZ-OE2 3.39Å; I10-E21 WeakPolarHBondContact O-CA 3.39Å; E21-V39 CarbonylContact O-C 3.57Å; E21-V39 WeakPolarHBondContact O-CA 3.08Å; E21-R40 PolarHBondContact N-O 3.31Å; E21-R40 PolarHBondContact O-N 2.85Å; E21-F42 HydrophobicContact CB-CD2 4.25Å; E21-F42 HydrophobicContact CB-CE2 3.59Å; E21-F42 HydrophobicContact CB-CZ 4.47Å; E21-R76 WeakPolarHBondContact OE1-CD 3.4Å; E21-R76 IonicContact OE1-CZ 3.37Å; E21-R76 IonicContact OE1-NE 2.73Å; E21-R76 IonicContact OE1-NH1 2.72Å; E21-R76 PolarHBondContact OE1-NH1 3.3Å |
| 22 | G | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | -169.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K9 I10 | K9-G22 CarbonylContact C-O 3.59Å; K9-G22 WeakPolarHBondContact CA-O 3.35Å; K9-G22 WeakPolarHBondContact CG-O 3.41Å; I10-G22 PolarHBondContact N-O 3.4Å; I10-G22 PolarHBondContact O-N 3.07Å |
| 23 | I | 95.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 62.5 Ų | 62.5 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.1 | 176.1 | -61.5 | 174.8 | 0 | 0 | 0 | 108.1 | G7 S8 Y25 L36 A37 | G7-I23 WeakPolarHBondContact O-CG2 3.47Å; S8-I23 WeakPolarHBondContact O-CA 3.32Å; I23-Y25 PolarHBondContact O-N 3.38Å; I23-L36 CarbonylContact O-C 3.6Å; I23-L36 VanDerWaalsContact O-CA 3.29Å; I23-L36 WeakPolarHBondContact O-CA 3.44Å; I23-A37 PolarHBondContact N-O 3.41Å; I23-A37 PolarHBondContact O-N 3.18Å |
| 24 | L | 95.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 121 | 177.2 | -173.7 | 57.2 | 0 | 0 | 0 | 111 | L5 I6 G7 S8 I10 V27 I34 L36 | L5-L24 HydrophobicContact CB-CD2 3.89Å; I6-L24 HydrophobicContact CD1-CD2 3.92Å; I6-L24 HydrophobicContact CD1-CG 3.92Å; G7-L24 PolarHBondContact N-O 2.84Å; S8-L24 PolarHBondContact O-N 3.08Å; I10-L24 HydrophobicContact CD1-CB 3.72Å; I10-L24 HydrophobicContact CD1-CD1 3.97Å; I10-L24 HydrophobicContact CD1-CD2 4Å; I10-L24 HydrophobicContact CD1-CG 4.1Å; I10-L24 HydrophobicContact CG1-CB 4.36Å; L24-V27 HydrophobicContact CD1-CG2 3.77Å; L24-V27 HydrophobicContact CD2-CG2 3.94Å; L24-V27 HydrophobicContact CG-CG2 4.31Å; L24-I34 HydrophobicContact CD1-CG2 3.54Å; L24-L36 HydrophobicContact CB-CD2 4.44Å; L24-L36 HydrophobicContact CD1-CD2 3.94Å |
| 25 | Y | 94.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 62.1 Ų | 62.1 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -60.3 | 179.4 | -176.5 | -111.7 | 0 | 0 | 0 | 111.6 | I6 I23 A35 Y62 | I6-Y25 VanDerWaalsContact CG1-O 3.25Å; I6-Y25 WeakPolarHBondContact CG1-O 3.24Å; I23-Y25 PolarHBondContact O-N 3.38Å; Y25-A35 WeakPolarHBondContact CB-O 3.49Å; Y25-A35 HydrophobicContact CD1-CB 4.25Å; Y25-A35 PolarHBondContact N-O 2.93Å; Y25-Y62 HydrophobicContact CD1-CD1 4.1Å; Y25-Y62 AromaticContact CD1-CE1 3.71Å; Y25-Y62 HydrophobicContact CD1-CE1 3.71Å; Y25-Y62 AromaticContact CD2-CE1 3.72Å; Y25-Y62 HydrophobicContact CD2-CE1 3.72Å; Y25-Y62 AromaticContact CE1-CE1 3.91Å; Y25-Y62 HydrophobicContact CE1-CE1 3.91Å; Y25-Y62 AromaticContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CG-CD1 4.19Å; Y25-Y62 AromaticContact CG-CE1 3.62Å; Y25-Y62 HydrophobicContact CG-CE1 3.62Å |
| 26 | T | 94.3 | Very high | 95.6 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 159 | 175.5 | 59.1 | 0 | 0 | 0 | 0 | 111.2 | A35 | T26-A35 PolarHBondContact N-O 3.47Å; T26-A35 PolarHBondContact O-N 3.28Å; T26-A35 WeakPolarHBondContact OG1-CB 3.35Å |
| 27 | V | 94 | Very high | 95.7 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 118.8 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 107 | L24 P29 I34 | L24-V27 HydrophobicContact CD1-CG2 3.77Å; L24-V27 HydrophobicContact CD2-CG2 3.94Å; L24-V27 HydrophobicContact CG-CG2 4.31Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å; V27-I34 HydrophobicContact CG1-CG1 4.29Å; V27-I34 HydrophobicContact CG2-CG1 4.35Å |
| 28 | D | 94.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 100.4 | 178.2 | -50.2 | -31.3 | 0 | 0 | 0 | 107.9 | E30 K31 S32 T33 | D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.05Å; D28-K31 HydrophobicContact CB-CB 4.25Å; D28-S32 WeakPolarHBondContact O-CA 3.48Å; D28-S32 PolarHBondContact O-N 3.1Å; D28-T33 PolarHBondContact N-O 2.77Å; D28-T33 PolarHBondContact O-N 2.91Å; D28-T33 VanDerWaalsContact O-N 3.07Å; D28-T33 PolarHBondContact OD2-OG1 3.41Å |
| 29 | P | 94.1 | Very high | 95.8 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 69% | 0.688 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -37.9 | -176.6 | 25.2 | -33.2 | 0 | 0 | 0 | 112 | V27 K31 S32 | V27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-K31 PolarHBondContact O-N 3.02Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 VanDerWaalsContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.34Å |
| 30 | E | 96.1 | Very high | 95.8 | Very high | 184 Ų | 184 | 60.1 Ų | 60.1 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -45.7 | -179.4 | -59.2 | 179.2 | 167.1 | 0 | 0 | 112.7 | D28 S32 | D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.05Å; E30-S32 VanDerWaalsContact C-N 3.29Å |
| 31 | K | 95.5 | Very high | 95.8 | Very high | 151 Ų | 151 | 58.5 Ų | 58.5 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.4 | 178.3 | -66.6 | 170.2 | -173.1 | 164.4 | 0 | 112.4 | D28 P29 T33 | D28-K31 HydrophobicContact CB-CB 4.25Å; P29-K31 PolarHBondContact O-N 3.02Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 HydrophobicContact CB-CG2 4.34Å; K31-T33 WeakPolarHBondContact CB-OG1 3.2Å; K31-T33 PolarHBondContact O-N 2.95Å |
| 32 | S | 96.1 | Very high | 95.8 | Very high | 67 Ų | 67 | 60 Ų | 60 | 47% | 0.469 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 48 | -169.6 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | D28 P29 E30 A67 | D28-S32 WeakPolarHBondContact O-CA 3.48Å; D28-S32 PolarHBondContact O-N 3.1Å; P29-S32 PolarHBondContact O-N 3.1Å; P29-S32 VanDerWaalsContact O-N 3.1Å; P29-S32 PolarHBondContact O-OG 3.34Å; E30-S32 VanDerWaalsContact C-N 3.29Å; S32-A67 VanDerWaalsContact O-CB 3.3Å; S32-A67 WeakPolarHBondContact O-CB 3.4Å; S32-A67 PolarHBondContact O-N 3.23Å |
| 33 | T | 96 | Very high | 95.7 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 147.1 | -178.8 | 41.9 | 0 | 0 | 0 | 0 | 112.8 | D28 K31 I64 F65 K66 | D28-T33 PolarHBondContact N-O 2.77Å; D28-T33 PolarHBondContact O-N 2.91Å; D28-T33 VanDerWaalsContact O-N 3.07Å; D28-T33 PolarHBondContact OD2-OG1 3.41Å; K31-T33 VanDerWaalsContact C-N 3.27Å; K31-T33 HydrophobicContact CB-CG2 4.34Å; K31-T33 WeakPolarHBondContact CB-OG1 3.2Å; K31-T33 PolarHBondContact O-N 2.95Å; T33-I64 HydrophobicContact CG2-CG2 4.07Å; T33-F65 CarbonylContact C-O 3.51Å; T33-F65 VanDerWaalsContact CA-O 3.31Å; T33-F65 WeakPolarHBondContact CA-O 3.28Å; T33-K66 HydrophobicContact CG2-CG 4.12Å |
| 34 | I | 95.5 | Very high | 95.6 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.7 | 176.2 | -62.3 | 179.3 | 0 | 0 | 0 | 108.3 | L24 V27 L36 F65 I70 L73 | L24-I34 HydrophobicContact CD1-CG2 3.54Å; V27-I34 HydrophobicContact CG1-CG1 4.29Å; V27-I34 HydrophobicContact CG2-CG1 4.35Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.48Å; I34-F65 PolarHBondContact N-O 3.07Å; I34-F65 PolarHBondContact O-N 3.04Å; I34-I70 HydrophobicContact CD1-CD1 4.11Å; I34-L73 HydrophobicContact CD1-CD1 3.69Å |
| 35 | A | 96.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y25 T26 I64 | Y25-A35 WeakPolarHBondContact CB-O 3.49Å; Y25-A35 HydrophobicContact CD1-CB 4.25Å; Y25-A35 PolarHBondContact N-O 2.93Å; T26-A35 PolarHBondContact N-O 3.47Å; T26-A35 PolarHBondContact O-N 3.28Å; T26-A35 WeakPolarHBondContact OG1-CB 3.35Å; A35-I64 HydrophobicContact CB-CG1 4.27Å |
| 36 | L | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.3 | 170.7 | -59.8 | -174.6 | 0 | 0 | 0 | 110 | I10 L12 I23 L24 I34 V39 Y62 I63 F65 | I10-L36 HydrophobicContact CB-CD2 4.14Å; I10-L36 HydrophobicContact CD1-CD2 4.13Å; I10-L36 HydrophobicContact CG2-CD1 4.39Å; I10-L36 HydrophobicContact CG2-CD2 4.46Å; L12-L36 HydrophobicContact CB-CD1 4.35Å; L12-L36 HydrophobicContact CD1-CD1 4.19Å; I23-L36 CarbonylContact O-C 3.6Å; I23-L36 VanDerWaalsContact O-CA 3.29Å; I23-L36 WeakPolarHBondContact O-CA 3.44Å; L24-L36 HydrophobicContact CB-CD2 4.44Å; L24-L36 HydrophobicContact CD1-CD2 3.94Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.48Å; L36-V39 VanDerWaalsContact C-CG2 3.5Å; L36-V39 HydrophobicContact CB-CG2 3.52Å; L36-V39 WeakPolarHBondContact O-CG2 3.44Å; L36-Y62 CarbonylContact O-C 3.5Å; L36-Y62 WeakPolarHBondContact O-CA 3.25Å; L36-I63 PolarHBondContact N-O 3.42Å; L36-I63 PolarHBondContact O-N 3.11Å; L36-F65 HydrophobicContact CB-CE2 4.47Å; L36-F65 HydrophobicContact CD1-CD2 4.36Å; L36-F65 HydrophobicContact CD1-CE2 3.96Å; L36-F65 HydrophobicContact CG-CD2 4.35Å; L36-F65 HydrophobicContact CG-CE2 4.24Å |
| 37 | A | 96.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 61.9 Ų | 61.9 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 153.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I23 V39 E61 Y62 | I23-A37 PolarHBondContact N-O 3.41Å; I23-A37 PolarHBondContact O-N 3.18Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.1Å; A37-E61 CarbonylContact C-O 3.55Å; A37-E61 VanDerWaalsContact CA-O 3.24Å; A37-E61 WeakPolarHBondContact CA-O 3.05Å; A37-Y62 HydrophobicContact CB-CD1 4Å; A37-Y62 HydrophobicContact CB-CE1 3.73Å |
| 38 | K | 96.4 | Very high | 94.8 | Very high | 144 Ų | 144 | 69.9 Ų | 69.9 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 47.3 | 176.3 | -62.4 | 176.9 | -179 | 170.1 | 0 | 112.7 | V59 Y60 E61 | K38-V59 HydrophobicContact CB-CG1 4.16Å; K38-Y60 CarbonylContact C-O 3.57Å; K38-Y60 WeakPolarHBondContact CA-O 3.39Å; K38-Y60 PolarHBondContact N-O 2.86Å; K38-E61 PolarHBondContact N-O 3.47Å |
| 39 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 136.2 | -167.8 | -164 | 0 | 0 | 0 | 0 | 111.7 | Y20 E21 L36 A37 V59 Y60 I63 | Y20-V39 HydrophobicContact CD1-CG1 4.21Å; E21-V39 CarbonylContact O-C 3.57Å; E21-V39 WeakPolarHBondContact O-CA 3.08Å; L36-V39 VanDerWaalsContact C-CG2 3.5Å; L36-V39 HydrophobicContact CB-CG2 3.52Å; L36-V39 WeakPolarHBondContact O-CG2 3.44Å; A37-V39 VanDerWaalsContact C-N 3.33Å; A37-V39 PolarHBondContact O-N 3.1Å; V39-V59 CarbonylContact O-C 3.49Å; V39-V59 WeakPolarHBondContact O-CA 3.39Å; V39-Y60 PolarHBondContact N-O 2.67Å; V39-Y60 PolarHBondContact O-N 2.94Å; V39-I63 HydrophobicContact CB-CD1 3.8Å; V39-I63 HydrophobicContact CB-CG1 3.97Å; V39-I63 HydrophobicContact CG1-CD1 3.81Å; V39-I63 HydrophobicContact CG1-CG1 4.36Å; V39-I63 HydrophobicContact CG2-CB 4.12Å; V39-I63 HydrophobicContact CG2-CD1 4.32Å; V39-I63 HydrophobicContact CG2-CG1 3.97Å |
| 40 | R | 97.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 72 Ų | 72 | 40% | 0.4 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.8 | 173.7 | -66.7 | -177.3 | 63.7 | -150.2 | -10.3 | 110.8 | Y20 E21 F42 V59 | Y20-R40 WeakPolarHBondContact CA-O 3.11Å; E21-R40 PolarHBondContact N-O 3.31Å; E21-R40 PolarHBondContact O-N 2.85Å; R40-F42 HydrophobicContact CB-CE2 4.2Å; R40-V59 HydrophobicContact CG-CB 4.36Å; R40-V59 HydrophobicContact CG-CG1 4.24Å; R40-V59 HydrophobicContact CG-CG2 3.87Å |
| 41 | S | 96.6 | Very high | 93.9 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.8 | 173.6 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | I18 R56 | I18-S41 WeakPolarHBondContact CG2-OG 3.46Å; S41-R56 PolarHBondContact O-N 2.94Å |
| 42 | F | 95.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 68.7 Ų | 68.7 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -2.6 | 176.7 | -73.1 | -102.1 | 0 | 0 | 0 | 112.9 | R19 E21 R40 E45 P55 | R19-F42 HydrophobicContact CB-CB 4.26Å; R19-F42 HydrophobicContact CG-CB 4.49Å; R19-F42 PolarHBondContact O-N 3.04Å; E21-F42 HydrophobicContact CB-CD2 4.25Å; E21-F42 HydrophobicContact CB-CE2 3.59Å; E21-F42 HydrophobicContact CB-CZ 4.47Å; R40-F42 HydrophobicContact CB-CE2 4.2Å; F42-E45 HydrophobicContact CB-CG 4.37Å; F42-E45 WeakPolarHBondContact CB-OE1 3.43Å; F42-P55 WeakPolarHBondContact O-CA 3.44Å; F42-P55 WeakPolarHBondContact O-CB 3.44Å |
| 43 | G | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | -163.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I18 R19 E45 R47 I53 | I18-G43 WeakPolarHBondContact CA-O 3.34Å; R19-G43 PolarHBondContact N-O 2.93Å; G43-E45 VanDerWaalsContact C-N 3.34Å; G43-R47 PolarHBondContact O-NH2 3.48Å; G43-I53 CarbonylContact C-O 3.55Å; G43-I53 WeakPolarHBondContact CA-O 3.27Å |
| 44 | S | 93.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -76.6 | -21.6 | 178.5 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | D46 R47 I53 | S44-D46 PolarHBondContact O-N 3.12Å; S44-R47 VanDerWaalsContact C-NH2 3.34Å; S44-R47 WeakPolarHBondContact O-CB 3.38Å; S44-R47 PolarHBondContact O-N 3.3Å; S44-R47 VanDerWaalsContact O-N 3.15Å; S44-R47 PolarHBondContact O-NE 3.39Å; S44-R47 PolarHBondContact O-NH2 3.29Å; S44-I53 PolarHBondContact N-O 3.13Å; S44-I53 PolarHBondContact OG-N 3.43Å; S44-I53 PolarHBondContact OG-O 3.14Å |
| 45 | E | 91 | Very high | 93.6 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -129.9 | -175.9 | -55.9 | 174.2 | 139.3 | 0 | 0 | 109.9 | R19 F42 G43 R47 | R19-E45 IonicContact CZ-OE1 2.72Å; R19-E45 IonicContact CZ-OE2 3.7Å; R19-E45 IonicContact NE-OE1 3.48Å; R19-E45 PolarHBondContact NE-OE1 3.31Å; R19-E45 VanDerWaalsContact NE-OE1 3.08Å; R19-E45 IonicContact NE-OE2 3.95Å; R19-E45 PolarHBondContact NE-OE2 3.06Å; R19-E45 IonicContact NH1-OE2 3.36Å; R19-E45 VanDerWaalsContact NH2-CD 3.29Å; R19-E45 IonicContact NH2-OE1 3.96Å; R19-E45 PolarHBondContact NH2-OE1 3.48Å; R19-E45 IonicContact NH2-OE2 2.71Å; R19-E45 PolarHBondContact NH2-OE2 3.34Å; F42-E45 HydrophobicContact CB-CG 4.37Å; F42-E45 WeakPolarHBondContact CB-OE1 3.43Å; G43-E45 VanDerWaalsContact C-N 3.34Å; E45-R47 IonicContact OE2-CZ 2.63Å; E45-R47 IonicContact OE2-NH1 3.2Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å |
| 46 | D | 90.2 | Very high | 93.6 | Very high | 170 Ų | 170 | 80.3 Ų | 80.3 | 91% | 0.909 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 18.1 | -179.6 | -51.1 | -61 | 0 | 0 | 0 | 113.8 | S44 | S44-D46 PolarHBondContact O-N 3.12Š|
| 47 | R | 92.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 89.9 Ų | 89.9 | 22% | 0.223 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -83.2 | 155.6 | 179.9 | -64.7 | 179.7 | -71.1 | -78.5 | -9.6 | 112 | E17 R19 G43 S44 E45 T49 | E17-R47 HydrophobicContact CB-CB 4.06Å; E17-R47 VanDerWaalsContact O-CZ 3.23Å; E17-R47 PolarHBondContact O-NE 2.97Å; E17-R47 PolarHBondContact O-NH2 3.5Å; E17-R47 WeakPolarHBondContact OE2-CB 3.47Å; R19-R47 VanDerWaalsContact CB-NH2 3.34Å; R19-R47 VanDerWaalsContact N-NH2 3.19Å; G43-R47 PolarHBondContact O-NH2 3.48Å; S44-R47 VanDerWaalsContact C-NH2 3.34Å; S44-R47 WeakPolarHBondContact O-CB 3.38Å; S44-R47 PolarHBondContact O-N 3.3Å; S44-R47 VanDerWaalsContact O-N 3.15Å; S44-R47 PolarHBondContact O-NE 3.39Å; S44-R47 PolarHBondContact O-NH2 3.29Å; E45-R47 IonicContact OE2-CZ 2.63Å; E45-R47 IonicContact OE2-NH1 3.2Å; E45-R47 PolarHBondContact OE2-NH1 3Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 3.01Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.17Å |
| 48 | R | 88.6 | Confident | 93.4 | Very high | 244 Ų | 244 | 94.7 Ų | 94.7 | 92% | 0.921 | 45% | 0.453 | S | S | * | . | trans | -89.7 | 77.2 | -170.7 | -72.3 | -173.1 | -180 | 171.6 | 0.4 | 111.3 | E17 | E17-R48 PolarHBondContact OE2-N 3.05Å; E17-R48 VanDerWaalsContact OE2-O 3.12Å | ||
| 49 | T | 87.4 | Confident | 93.4 | Very high | 35 Ų | 35 | 91.9 Ų | 91.9 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | trans | -109.4 | 144.8 | -178.4 | -32.6 | 0 | 0 | 0 | 0 | 110.7 | E17 R47 E51 | E17-T49 HydrophobicContact CB-CG2 4.44Å; E17-T49 WeakPolarHBondContact CB-OG1 3.41Å; E17-T49 PolarHBondContact OE2-N 2.92Å; E17-T49 PolarHBondContact OE2-OG1 2.9Å; R47-T49 PolarHBondContact O-N 2.87Å; R47-T49 VanDerWaalsContact O-N 3.17Å; T49-E51 PolarHBondContact O-N 3.14Å | ||
| 50 | D | 88.5 | Confident | 93.4 | Very high | 174 Ų | 174 | 95 Ų | 95 | 93% | 0.93 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62.4 | -33.4 | 174.8 | -58.4 | -52.9 | 0 | 0 | 0 | 111.9 | ||
| 51 | E | 89.1 | Confident | 93.4 | Very high | 146 Ų | 146 | 96.9 Ų | 96.9 | 68% | 0.682 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -113.5 | 112.7 | 175.9 | -64.3 | -172.7 | 174.5 | 0 | 0 | 110.9 | T49 I53 | T49-E51 PolarHBondContact O-N 3.14Å; E51-I53 PolarHBondContact O-N 2.94Å |
| 52 | V | 92.4 | Very high | 93.4 | Very high | 119 Ų | 119 | 101.9 Ų | 101.9 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | trans | -80.9 | 116.8 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 53 | I | 94.4 | Very high | 93.5 | Very high | 44 Ų | 44 | 101.3 Ų | 101.3 | 23% | 0.226 | 49% | 0.491 | C | S | . | . | trans | -106.9 | 125.8 | -176 | -65.6 | 170.3 | 0 | 0 | 0 | 109.5 | I18 G43 S44 E51 | I18-I53 HydrophobicContact CD1-CD1 3.48Å; I18-I53 VanDerWaalsContact CD1-CD1 3.48Å; I18-I53 HydrophobicContact CG1-CD1 3.85Å; G43-I53 CarbonylContact C-O 3.55Å; G43-I53 WeakPolarHBondContact CA-O 3.27Å; S44-I53 PolarHBondContact N-O 3.13Å; S44-I53 PolarHBondContact OG-N 3.43Å; S44-I53 PolarHBondContact OG-O 3.14Å; E51-I53 PolarHBondContact O-N 2.94Å | ||
| 54 | P | 94.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 106.9 Ų | 106.9 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -77 | 156.4 | 179.4 | 31.2 | -35.5 | 0 | 0 | 0 | 112.8 | R56 | P54-R56 PolarHBondContact O-N 3.21Š|
| 55 | P | 95.5 | Very high | 93.8 | Very high | 94 Ų | 94 | 108 Ų | 108 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 132.5 | 175.1 | 25.2 | -34.3 | 0 | 0 | 0 | 111.9 | F42 | F42-P55 WeakPolarHBondContact O-CA 3.44Å; F42-P55 WeakPolarHBondContact O-CB 3.44Å |
| 56 | R | 95.8 | Very high | 94.1 | Very high | 129 Ų | 129 | 111.2 Ų | 111.2 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 147.7 | 176.3 | -63.9 | -171 | -178.7 | -177.2 | -0.7 | 111.1 | S41 P54 Y60 | S41-R56 PolarHBondContact O-N 2.94Å; P54-R56 PolarHBondContact O-N 3.21Å; R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 PolarHBondContact NH1-OH 2.84Å |
| 57 | K | 94 | Very high | 94.4 | Very high | 200 Ų | 200 | 105.4 Ų | 105.4 | 87% | 0.87 | 51% | 0.513 | S | S | * | . | trans | -87.6 | -21.6 | 175.3 | -67.4 | -179.1 | -177.5 | 173.6 | 0 | 112.9 | ||||
| 58 | E | 95.5 | Very high | 94.6 | Very high | 114 Ų | 114 | 107 Ų | 107 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | trans | -59.1 | 144.3 | 176.5 | -72 | 155.5 | -149.4 | 0 | 0 | 111.5 | Y60 | E58-Y60 HydrophobicContact CB-CE1 4.4Å; E58-Y60 HydrophobicContact CB-CE2 4.44Å; E58-Y60 PolarHBondContact OE2-OH 2.99Å | ||
| 59 | V | 96.8 | Very high | 95 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.2 | 169.6 | -172.8 | 0 | 0 | 0 | 0 | 106 | K38 V39 R40 | K38-V59 HydrophobicContact CB-CG1 4.16Å; V39-V59 CarbonylContact O-C 3.49Å; V39-V59 WeakPolarHBondContact O-CA 3.39Å; R40-V59 HydrophobicContact CG-CB 4.36Å; R40-V59 HydrophobicContact CG-CG1 4.24Å; R40-V59 HydrophobicContact CG-CG2 3.87Å |
| 60 | Y | 97.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 98.6 Ų | 98.6 | 25% | 0.251 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.7 | 175.2 | -57.3 | -73.9 | 0 | 0 | 0 | 108.7 | K38 V39 R56 E58 I63 | K38-Y60 CarbonylContact C-O 3.57Å; K38-Y60 WeakPolarHBondContact CA-O 3.39Å; K38-Y60 PolarHBondContact N-O 2.86Å; V39-Y60 PolarHBondContact N-O 2.67Å; V39-Y60 PolarHBondContact O-N 2.94Å; R56-Y60 WeakPolarHBondContact CD-OH 3.47Å; R56-Y60 PolarHBondContact NH1-OH 2.84Å; E58-Y60 HydrophobicContact CB-CE1 4.4Å; E58-Y60 HydrophobicContact CB-CE2 4.44Å; E58-Y60 PolarHBondContact OE2-OH 2.99Å; Y60-I63 HydrophobicContact CD2-CD1 3.75Å; Y60-I63 HydrophobicContact CG-CD1 3.99Å; Y60-I63 HydrophobicContact CG-CG1 4.33Å |
| 61 | E | 97 | Very high | 95.8 | Very high | 146 Ų | 146 | 96.2 Ų | 96.2 | 68% | 0.682 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | -48.6 | -176.2 | -165.6 | -178.8 | 170.7 | 0 | 0 | 111.1 | A37 K38 | A37-E61 CarbonylContact C-O 3.55Å; A37-E61 VanDerWaalsContact CA-O 3.24Å; A37-E61 WeakPolarHBondContact CA-O 3.05Å; K38-E61 PolarHBondContact N-O 3.47Å |
| 62 | Y | 96.6 | Very high | 96.1 | Very high | 111 Ų | 111 | 92.5 Ų | 92.5 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 145.3 | 171.9 | -64.8 | -78.9 | 0 | 0 | 0 | 111 | Y25 L36 A37 | Y25-Y62 HydrophobicContact CD1-CD1 4.1Å; Y25-Y62 AromaticContact CD1-CE1 3.71Å; Y25-Y62 HydrophobicContact CD1-CE1 3.71Å; Y25-Y62 AromaticContact CD2-CE1 3.72Å; Y25-Y62 HydrophobicContact CD2-CE1 3.72Å; Y25-Y62 AromaticContact CE1-CE1 3.91Å; Y25-Y62 HydrophobicContact CE1-CE1 3.91Å; Y25-Y62 AromaticContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CE2-CE1 3.91Å; Y25-Y62 HydrophobicContact CG-CD1 4.19Å; Y25-Y62 AromaticContact CG-CE1 3.62Å; Y25-Y62 HydrophobicContact CG-CE1 3.62Å; L36-Y62 CarbonylContact O-C 3.5Å; L36-Y62 WeakPolarHBondContact O-CA 3.25Å; A37-Y62 HydrophobicContact CB-CD1 4Å; A37-Y62 HydrophobicContact CB-CE1 3.73Å |
| 63 | I | 97.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 89.8 Ų | 89.8 | 20% | 0.195 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132.2 | 163.3 | -54.1 | -176 | 0 | 0 | 0 | 108.4 | Y20 L36 V39 Y60 F65 | Y20-I63 HydrophobicContact CD1-CD1 4.36Å; Y20-I63 HydrophobicContact CE1-CD1 4.46Å; L36-I63 PolarHBondContact N-O 3.42Å; L36-I63 PolarHBondContact O-N 3.11Å; V39-I63 HydrophobicContact CB-CD1 3.8Å; V39-I63 HydrophobicContact CB-CG1 3.97Å; V39-I63 HydrophobicContact CG1-CD1 3.81Å; V39-I63 HydrophobicContact CG1-CG1 4.36Å; V39-I63 HydrophobicContact CG2-CB 4.12Å; V39-I63 HydrophobicContact CG2-CD1 4.32Å; V39-I63 HydrophobicContact CG2-CG1 3.97Å; Y60-I63 HydrophobicContact CD2-CD1 3.75Å; Y60-I63 HydrophobicContact CG-CD1 3.99Å; Y60-I63 HydrophobicContact CG-CG1 4.33Å; I63-F65 HydrophobicContact CB-CE2 3.78Å; I63-F65 HydrophobicContact CB-CZ 4.08Å; I63-F65 HydrophobicContact CD1-CZ 4.48Å; I63-F65 HydrophobicContact CG2-CD2 4.09Å; I63-F65 HydrophobicContact CG2-CE1 4.05Å; I63-F65 HydrophobicContact CG2-CE2 3.53Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å |
| 64 | I | 97.1 | Very high | 96.2 | Very high | 118 Ų | 118 | 92.1 Ų | 92.1 | 61% | 0.605 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.7 | 175.9 | -55.2 | 173.5 | 0 | 0 | 0 | 108.5 | T33 A35 | T33-I64 HydrophobicContact CG2-CG2 4.07Å; A35-I64 HydrophobicContact CB-CG1 4.27Å |
| 65 | F | 97.6 | Very high | 96 | Very high | 23 Ų | 23 | 90.5 Ų | 90.5 | 10% | 0.101 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.7 | 176.8 | -62.8 | -88.6 | 0 | 0 | 0 | 109.9 | L12 Y20 T33 I34 L36 I63 I70 | L12-F65 HydrophobicContact CD1-CB 4.16Å; L12-F65 HydrophobicContact CD1-CD1 4.21Å; L12-F65 HydrophobicContact CD1-CD2 3.79Å; L12-F65 HydrophobicContact CD1-CE2 4.21Å; L12-F65 HydrophobicContact CD1-CG 3.79Å; L12-F65 HydrophobicContact CD2-CD1 3.82Å; L12-F65 HydrophobicContact CD2-CE1 3.78Å; L12-F65 HydrophobicContact CD2-CG 4.26Å; L12-F65 HydrophobicContact CD2-CZ 4.18Å; Y20-F65 HydrophobicContact CD1-CZ 4.03Å; Y20-F65 AromaticContact CD2-CE1 3.83Å; Y20-F65 HydrophobicContact CD2-CE1 3.83Å; Y20-F65 AromaticContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CD2-CZ 3.93Å; Y20-F65 HydrophobicContact CE1-CZ 4.46Å; Y20-F65 AromaticContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CE1 3.97Å; Y20-F65 HydrophobicContact CE2-CZ 4.38Å; Y20-F65 HydrophobicContact CG-CE1 4.13Å; Y20-F65 AromaticContact CG-CZ 3.73Å; Y20-F65 HydrophobicContact CG-CZ 3.73Å; T33-F65 CarbonylContact C-O 3.51Å; T33-F65 VanDerWaalsContact CA-O 3.31Å; T33-F65 WeakPolarHBondContact CA-O 3.28Å; I34-F65 PolarHBondContact N-O 3.07Å; I34-F65 PolarHBondContact O-N 3.04Å; L36-F65 HydrophobicContact CB-CE2 4.47Å; L36-F65 HydrophobicContact CD1-CD2 4.36Å; L36-F65 HydrophobicContact CD1-CE2 3.96Å; L36-F65 HydrophobicContact CG-CD2 4.35Å; L36-F65 HydrophobicContact CG-CE2 4.24Å; I63-F65 HydrophobicContact CB-CE2 3.78Å; I63-F65 HydrophobicContact CB-CZ 4.08Å; I63-F65 HydrophobicContact CD1-CZ 4.48Å; I63-F65 HydrophobicContact CG2-CD2 4.09Å; I63-F65 HydrophobicContact CG2-CE1 4.05Å; I63-F65 HydrophobicContact CG2-CE2 3.53Å; I63-F65 HydrophobicContact CG2-CZ 3.51Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.26Å |
| 66 | K | 97.7 | Very high | 95.6 | Very high | 129 Ų | 129 | 91.1 Ų | 91.1 | 56% | 0.561 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 134.4 | 166.4 | -63.7 | -179.5 | 179.5 | -178.5 | 0 | 109 | T33 T68 D69 | T33-K66 HydrophobicContact CG2-CG 4.12Å; K66-T68 WeakPolarHBondContact CB-OG1 3.45Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å; K66-D69 PolarHBondContact O-N 2.89Å |
| 67 | A | 96 | Very high | 94.6 | Very high | 48 Ų | 48 | 93.3 Ų | 93.3 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S32 D69 I70 | S32-A67 VanDerWaalsContact O-CB 3.3Å; S32-A67 WeakPolarHBondContact O-CB 3.4Å; S32-A67 PolarHBondContact O-N 3.23Å; A67-D69 PolarHBondContact O-N 3.06Å; A67-I70 PolarHBondContact O-N 3.36Å |
| 68 | T | 97.4 | Very high | 93.3 | Very high | 93 Ų | 93 | 88.3 Ų | 88.3 | 57% | 0.571 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -57.4 | -27.3 | 174.9 | 52.4 | 0 | 0 | 0 | 0 | 114 | K15 K66 | K15-T68 WeakPolarHBondContact CE-O 3.14Å; K15-T68 PolarHBondContact NZ-O 2.9Å; K66-T68 WeakPolarHBondContact CB-OG1 3.45Å; K66-T68 PolarHBondContact O-N 2.79Å; K66-T68 VanDerWaalsContact O-N 3.14Å |
| 69 | D | 97.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 88.5 Ų | 88.5 | 36% | 0.364 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -108.9 | 5.9 | -171.7 | -58.1 | -41.2 | 0 | 0 | 0 | 113.7 | S14 K15 K66 A67 | S14-D69 CarbonylContact C-O 3.48Å; S14-D69 WeakPolarHBondContact CA-O 3.42Å; K15-D69 HydrophobicContact CD-CB 4.38Å; K15-D69 PolarHBondContact N-O 2.95Å; K15-D69 IonicContact NZ-OD1 2.73Å; K15-D69 PolarHBondContact NZ-OD1 3.5Å; K66-D69 PolarHBondContact O-N 2.89Å; A67-D69 PolarHBondContact O-N 3.06Å |
| 70 | I | 96.9 | Very high | 90 | Very high | 33 Ų | 33 | 92.8 Ų | 92.8 | 17% | 0.169 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.5 | 172.4 | -59.2 | 175.7 | 0 | 0 | 0 | 108.6 | L12 I34 F65 A67 D72 L73 | L12-I70 HydrophobicContact CD1-CD1 3.71Å; L12-I70 HydrophobicContact CD1-CG1 3.99Å; L12-I70 HydrophobicContact CD2-CG1 4.4Å; L12-I70 HydrophobicContact CG-CD1 4.44Å; L12-I70 HydrophobicContact CG-CG1 4.3Å; L12-I70 HydrophobicContact CG-CG2 4.18Å; I34-I70 HydrophobicContact CD1-CD1 4.11Å; F65-I70 HydrophobicContact CB-CD1 4.12Å; F65-I70 HydrophobicContact CB-CG1 4.26Å; A67-I70 PolarHBondContact O-N 3.36Å; I70-D72 WeakPolarHBondContact CG2-O 3.42Å; I70-L73 HydrophobicContact CG2-CB 4.22Å |
| 71 | K | 95.8 | Very high | 88.2 | Confident | 124 Ų | 124 | 94.1 Ų | 94.1 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -37.7 | 175.7 | -177.7 | 173.9 | -179.5 | 167 | 0 | 111.6 | I13 E17 | I13-K71 PolarHBondContact O-N 3.36Å; E17-K71 IonicContact OE1-NZ 3.96Å; E17-K71 PolarHBondContact OE1-NZ 3.09Å |
| 72 | D | 94.7 | Very high | 86.3 | Confident | 68 Ų | 68 | 91 Ų | 91 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 148.8 | 178.4 | -175 | 22 | 0 | 0 | 0 | 110.3 | I13 I70 | I13-D72 HydrophobicContact CB-CB 4.27Å; I13-D72 HydrophobicContact CD1-CB 4.45Å; I13-D72 PolarHBondContact N-O 3.46Å; I13-D72 PolarHBondContact O-N 3.12Å; I70-D72 WeakPolarHBondContact CG2-O 3.42Å |
| 73 | L | 94.4 | Very high | 84.2 | Confident | 62 Ų | 62 | 89.2 Ų | 89.2 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 113.1 | 179.4 | -171.7 | 160.4 | 0 | 0 | 0 | 109.4 | I10 I34 I70 V75 | I10-L73 HydrophobicContact CD1-CD2 4.29Å; I10-L73 HydrophobicContact CG2-CD1 4.42Å; I10-L73 HydrophobicContact CG2-CD2 3.97Å; I10-L73 HydrophobicContact CG2-CG 3.83Å; I34-L73 HydrophobicContact CD1-CD1 3.69Å; I70-L73 HydrophobicContact CG2-CB 4.22Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å |
| 74 | L | 93.7 | Very high | 81.9 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.1 | 179.2 | -61.7 | 174.3 | 0 | 0 | 0 | 109.9 | S11 R76 | S11-L74 PolarHBondContact N-O 2.97Å; S11-L74 PolarHBondContact O-N 2.97Å; L74-R76 PolarHBondContact O-N 3.18Å |
| 75 | V | 92.1 | Very high | 79.3 | Confident | 59 Ų | 59 | 94 Ų | 94 | 36% | 0.358 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.6 | 166.7 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | L5 L73 | L5-V75 HydrophobicContact CD1-CG2 3.81Å; L5-V75 HydrophobicContact CD2-CG1 3.95Å; L5-V75 HydrophobicContact CD2-CG2 4.04Å; L5-V75 HydrophobicContact CG-CG2 4.48Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å |
| 76 | R | 86.8 | Confident | 77 | Confident | 107 Ų | 107 | 100.7 Ų | 100.7 | 40% | 0.404 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 105.4 | 165.2 | -74.2 | -176.9 | 167 | 178.9 | -5.2 | 107.3 | K9 E21 L74 T78 | K9-R76 HydrophobicContact CB-CB 4.25Å; K9-R76 WeakPolarHBondContact CB-O 3.36Å; K9-R76 CarbonylContact O-C 3.56Å; K9-R76 WeakPolarHBondContact O-CA 3.32Å; K9-R76 PolarHBondContact O-N 2.93Å; K9-R76 VanDerWaalsContact O-O 3.04Å; E21-R76 WeakPolarHBondContact OE1-CD 3.4Å; E21-R76 IonicContact OE1-CZ 3.37Å; E21-R76 IonicContact OE1-NE 2.73Å; E21-R76 IonicContact OE1-NH1 2.72Å; E21-R76 PolarHBondContact OE1-NH1 3.3Å; L74-R76 PolarHBondContact O-N 3.18Å; R76-T78 PolarHBondContact O-N 2.95Å; R76-T78 VanDerWaalsContact O-N 3.14Å |
| 77 | E | 74.4 | Confident | 74.9 | Confident | 176 Ų | 176 | 99.2 Ų | 99.2 | 82% | 0.822 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 123.5 | 162.1 | -65.7 | 180 | -176.3 | 0 | 0 | 108 | ||
| 78 | T | 67 | Low | 73.3 | Confident | 94 Ų | 94 | 103.8 Ų | 103.8 | 58% | 0.577 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 126.3 | 164.7 | 47.7 | 0 | 0 | 0 | 0 | 106.4 | K9 R76 Q80 | K9-T78 HydrophobicContact CB-CG2 4.45Å; R76-T78 PolarHBondContact O-N 2.95Å; R76-T78 VanDerWaalsContact O-N 3.14Å; T78-Q80 PolarHBondContact O-N 2.8Å |
| 79 | P | 63.3 | Low | 71.7 | Confident | 119 Ų | 119 | 103 Ų | 103 | 77% | 0.773 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 120.5 | 176.4 | 23.5 | -32.8 | 0 | 0 | 0 | 107.1 | ||
| 80 | Q | 59.7 | Low | 70.4 | Confident | 175 Ų | 175 | 107.7 Ų | 107.7 | 82% | 0.818 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 136.5 | 172.5 | -71.6 | -168.6 | 5.5 | 0 | 0 | 107 | T78 A82 | T78-Q80 PolarHBondContact O-N 2.8Å; Q80-A82 PolarHBondContact O-N 3.14Å |
| 81 | P | 58.7 | Low | 69.2 | Low | 92 Ų | 92 | 115 Ų | 115 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | trans | -53.8 | 114.7 | 178.5 | 23.1 | -32.6 | 0 | 0 | 0 | 107 | P83 F84 | P81-P83 VanDerWaalsContact O-N 3.09Å; P81-F84 HydrophobicContact CB-CE2 4.04Å; P81-F84 HydrophobicContact CB-CZ 4.33Å | ||
| 82 | A | 56.8 | Low | 68.4 | Low | 81 Ų | 81 | 113.1 Ų | 113.1 | 67% | 0.669 | 58% | 0.578 | S | S | * | * | trans | -47.1 | 123.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q80 F84 | Q80-A82 PolarHBondContact O-N 3.14Å; A82-F84 PolarHBondContact O-N 2.94Å | ||
| 83 | P | 53.7 | Low | 67.9 | Low | 73 Ų | 73 | 115.1 Ų | 115.1 | 47% | 0.474 | 60% | 0.595 | S | S | . | * | trans | -50.6 | 111.1 | -162 | 15.7 | -30.1 | 0 | 0 | 0 | 108.3 | P81 M85 Y91 | P81-P83 VanDerWaalsContact O-N 3.09Å; P83-M85 PolarHBondContact O-N 3.03Å; P83-M85 VanDerWaalsContact O-N 3.1Å; P83-Y91 HydrophobicContact CB-CD2 4.28Å; P83-Y91 HydrophobicContact CB-CE2 4.49Å; P83-Y91 HydrophobicContact CG-CD2 3.54Å; P83-Y91 HydrophobicContact CG-CE2 3.83Å; P83-Y91 HydrophobicContact CG-CG 4.33Å | ||
| 84 | F | 48.8 | Very low | 67.2 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 63% | 0.627 | 61% | 0.609 | S | S | * | * | trans | -51.7 | 124.8 | -173.5 | -69 | -85.2 | 0 | 0 | 0 | 106.9 | P81 A82 Y86 | P81-F84 HydrophobicContact CB-CE2 4.04Å; P81-F84 HydrophobicContact CB-CZ 4.33Å; A82-F84 PolarHBondContact O-N 2.94Å; F84-Y86 WeakPolarHBondContact O-CD2 3.27Å; F84-Y86 PolarHBondContact O-N 2.93Å | ||
| 85 | M | 43.2 | Very low | 66.6 | Low | 115 Ų | 115 | 115 Ų | 115 | 57% | 0.567 | 61% | 0.605 | S | S | * | * | trans | -49.1 | 106.4 | -175.3 | -69 | -170.3 | 87.8 | 0 | 0 | 109.2 | P83 N87 | P83-M85 PolarHBondContact O-N 3.03Å; P83-M85 VanDerWaalsContact O-N 3.1Å; M85-N87 PolarHBondContact O-N 2.85Å | ||
| 86 | Y | 48.7 | Very low | 65.8 | Low | 163 Ų | 163 | 120.3 Ų | 120.3 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -72.6 | 88.6 | 177 | -71 | -77 | 0 | 0 | 0 | 106.3 | F84 | F84-Y86 WeakPolarHBondContact O-CD2 3.27Å; F84-Y86 PolarHBondContact O-N 2.93Å |
| 87 | N | 52.9 | Low | 65.1 | Low | 98 Ų | 98 | 120.3 Ų | 120.3 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 56 | 60.5 | 177 | -51.9 | -56.7 | 0 | 0 | 0 | 113.4 | M85 L89 N100 | M85-N87 PolarHBondContact O-N 2.85Å; N87-L89 PolarHBondContact O-N 3.47Å; N87-N100 VanDerWaalsContact CB-ND2 3.26Å; N87-N100 WeakPolarHBondContact CB-ND2 3.46Å; N87-N100 PolarHBondContact ND2-ND2 3.36Å |
| 88 | N | 62.5 | Low | 65 | Low | 144 Ų | 144 | 115.1 Ų | 115.1 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.1 | 5.9 | 176 | -59.4 | -18.2 | 0 | 0 | 0 | 116.7 | ||
| 89 | L | 64.6 | Low | 65.4 | Low | 76 Ų | 76 | 115.8 Ų | 115.8 | 40% | 0.398 | 64% | 0.636 | S | S | . | * | trans | -71.9 | 136.8 | 172.7 | -77.3 | 163.3 | 0 | 0 | 0 | 111.3 | N87 V98 | N87-L89 PolarHBondContact O-N 3.47Å; L89-V98 HydrophobicContact CD1-CB 4.39Å; L89-V98 HydrophobicContact CD1-CG1 3.69Å; L89-V98 HydrophobicContact CD1-CG2 3.82Å | ||
| 90 | H | 69 | Low | 65.2 | Low | 167 Ų | 167 | 114.1 Ų | 114.1 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -68.2 | 151.4 | 165.7 | -78.2 | 127.8 | 0 | 0 | 0 | 110.2 | D92 | H90-D92 PolarHBondContact O-N 3.26Å; H90-D92 VanDerWaalsContact O-N 3.09Å | ||
| 91 | Y | 71.6 | Confident | 64.8 | Low | 187 Ų | 187 | 111.6 Ų | 111.6 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | trans | -72.8 | 100.3 | 174.9 | -174.5 | -95.8 | 0 | 0 | 0 | 110.1 | P83 | P83-Y91 HydrophobicContact CB-CD2 4.28Å; P83-Y91 HydrophobicContact CB-CE2 4.49Å; P83-Y91 HydrophobicContact CG-CD2 3.54Å; P83-Y91 HydrophobicContact CG-CE2 3.83Å; P83-Y91 HydrophobicContact CG-CG 4.33Å | ||
| 92 | D | 79.9 | Confident | 64.5 | Low | 84 Ų | 84 | 113.2 Ų | 113.2 | 45% | 0.449 | 62% | 0.619 | S | S | . | * | trans | -108.6 | 118.5 | 170.4 | 178.1 | -4.1 | 0 | 0 | 0 | 108.5 | H90 A94 I95 | H90-D92 PolarHBondContact O-N 3.26Å; H90-D92 VanDerWaalsContact O-N 3.09Å; D92-A94 PolarHBondContact O-N 2.85Å; D92-A94 WeakPolarHBondContact OD1-CB 3.35Å; D92-A94 PolarHBondContact OD1-N 3.2Å; D92-I95 HydrophobicContact CB-CD1 3.88Å; D92-I95 HydrophobicContact CB-CG1 4.03Å; D92-I95 PolarHBondContact O-N 2.72Å | ||
| 93 | P | 83.2 | Confident | 63.9 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -9.6 | 179.6 | 27.1 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 94 | A | 81.1 | Confident | 63.4 | Low | 76 Ų | 76 | 120.1 Ų | 120.1 | 63% | 0.628 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -14.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D92 L96 | D92-A94 PolarHBondContact O-N 2.85Å; D92-A94 WeakPolarHBondContact OD1-CB 3.35Å; D92-A94 PolarHBondContact OD1-N 3.2Å; A94-L96 PolarHBondContact O-N 3.37Å |
| 95 | I | 80 | Confident | 63.9 | Low | 78 Ų | 78 | 118.8 Ų | 118.8 | 40% | 0.4 | 65% | 0.645 | S | S | . | * | trans | -86.2 | 103.3 | -176.1 | -60.5 | 175.7 | 0 | 0 | 0 | 110.5 | D92 V98 | D92-I95 HydrophobicContact CB-CD1 3.88Å; D92-I95 HydrophobicContact CB-CG1 4.03Å; D92-I95 PolarHBondContact O-N 2.72Å; I95-V98 HydrophobicContact CG2-CG2 3.53Å | ||
| 96 | L | 75.3 | Confident | 64.2 | Low | 170 Ų | 170 | 119.1 Ų | 119.1 | 89% | 0.89 | 65% | 0.653 | S | S | * | * | trans | -84.2 | -22.6 | 179.9 | -62.2 | 177 | 0 | 0 | 0 | 114.5 | A94 | A94-L96 PolarHBondContact O-N 3.37Š| ||
| 97 | S | 72.7 | Confident | 64.4 | Low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | -161.1 | 155.5 | 173.6 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | V | 72 | Confident | 63.8 | Low | 68 Ų | 68 | 120.6 Ų | 120.6 | 41% | 0.412 | 68% | 0.675 | S | S | . | * | trans | -136.1 | 112 | 175.5 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | L89 I95 N100 | L89-V98 HydrophobicContact CD1-CB 4.39Å; L89-V98 HydrophobicContact CD1-CG1 3.69Å; L89-V98 HydrophobicContact CD1-CG2 3.82Å; I95-V98 HydrophobicContact CG2-CG2 3.53Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.37Å; V98-N100 PolarHBondContact O-N 2.9Å | ||
| 99 | S | 74.8 | Confident | 63.1 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -97.5 | 80.4 | -179.3 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | V101 | S99-V101 PolarHBondContact O-N 2.73Å; S99-V101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | N | 60.7 | Low | 62.2 | Low | 84 Ų | 84 | 122 Ų | 122 | 45% | 0.449 | 70% | 0.702 | S | S | . | * | trans | -78.7 | 95.7 | 175.5 | -79.7 | 6.8 | 0 | 0 | 0 | 111.7 | N87 V98 I102 | N87-N100 VanDerWaalsContact CB-ND2 3.26Å; N87-N100 WeakPolarHBondContact CB-ND2 3.46Å; N87-N100 PolarHBondContact ND2-ND2 3.36Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.37Å; V98-N100 PolarHBondContact O-N 2.9Å; N100-I102 PolarHBondContact O-N 2.79Å | ||
| 101 | V | 50.4 | Low | 61.2 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -69.9 | 94.5 | 167.5 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | S99 L103 | S99-V101 PolarHBondContact O-N 2.73Å; S99-V101 VanDerWaalsContact O-N 3.09Å; V101-L103 HydrophobicContact CG1-CD1 4.47Å; V101-L103 HydrophobicContact CG1-CG 4.17Å; V101-L103 PolarHBondContact O-N 3.26Å; V101-L103 VanDerWaalsContact O-N 3.08Å | ||
| 102 | I | 53 | Low | 60 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 65% | 0.651 | 71% | 0.707 | S | S | * | * | trans | -79.1 | 89.6 | 173.3 | -56.5 | 178.5 | 0 | 0 | 0 | 109 | N100 L104 | N100-I102 PolarHBondContact O-N 2.79Å; I102-L104 HydrophobicContact CG2-CD2 3.83Å; I102-L104 HydrophobicContact CG2-CG 4.07Å; I102-L104 PolarHBondContact O-N 2.71Å | ||
| 103 | L | 44 | Very low | 59.1 | Low | 156 Ų | 156 | 120.1 Ų | 120.1 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | trans | -76.7 | 106.1 | 161.2 | -79.3 | 163 | 0 | 0 | 0 | 108.9 | V101 | V101-L103 HydrophobicContact CG1-CD1 4.47Å; V101-L103 HydrophobicContact CG1-CG 4.17Å; V101-L103 PolarHBondContact O-N 3.26Å; V101-L103 VanDerWaalsContact O-N 3.08Å | ||
| 104 | L | 44 | Very low | 57.2 | Low | 142 Ų | 142 | 122 Ų | 122 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -78.7 | 132.8 | 169.8 | -66.8 | 177.7 | 0 | 0 | 0 | 110.2 | I102 V106 | I102-L104 HydrophobicContact CG2-CD2 3.83Å; I102-L104 HydrophobicContact CG2-CG 4.07Å; I102-L104 PolarHBondContact O-N 2.71Å; L104-V106 PolarHBondContact O-N 2.86Å | ||
| 105 | P | 58.5 | Low | 55.2 | Low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -74.6 | 123.9 | 175 | 29.7 | -33.1 | 0 | 0 | 0 | 111 | S107 | P105-S107 PolarHBondContact O-N 2.85Å; P105-S107 VanDerWaalsContact O-N 3.14Å | ||
| 106 | V | 49.6 | Very low | 53.4 | Low | 122 Ų | 122 | 128.1 Ų | 128.1 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -81 | 90.5 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | L104 H108 | L104-V106 PolarHBondContact O-N 2.86Å; V106-H108 PolarHBondContact O-N 3Å; V106-H108 PolarHBondContact O-ND1 2.93Å | ||
| 107 | S | 52.5 | Low | 52 | Low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -75 | 108.1 | 174.9 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | P105 | P105-S107 PolarHBondContact O-N 2.85Å; P105-S107 VanDerWaalsContact O-N 3.14Å | ||
| 108 | H | 40.9 | Very low | 50.5 | Low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | -80.8 | 129.5 | 169.7 | -72.7 | 51.3 | 0 | 0 | 0 | 110.4 | V106 | V106-H108 PolarHBondContact O-N 3Å; V106-H108 PolarHBondContact O-ND1 2.93Å | ||
| 109 | A | 48.2 | Very low | 49.2 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -141.6 | 135 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 110 | V | 44.9 | Very low | 47.9 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -81.3 | 150.6 | -163.5 | -73.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 111 | S | 47.3 | Very low | 47.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -139.1 | 122.1 | 156.6 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 112 | S | 47.1 | Very low | 47.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -118.7 | 131.7 | -166.8 | 46.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 113 | I | 60.6 | Low | 47 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -134.4 | 122.1 | 169.5 | -64.1 | -176.2 | 0 | 0 | 0 | 110.1 | ||||
| 114 | L | 43.7 | Very low | 47.5 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -28.5 | 132 | 171.9 | -114.2 | 41.5 | 0 | 0 | 0 | 115.7 | ||||
| 115 | L | 39 | Very low | 47.9 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | 51.4 | 138.1 | 84.5 | -63 | 177.3 | 0 | 0 | 0 | 113.7 | |||||
| 116 | L | 43 | Very low | 47.2 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | cis | -172.4 | 168.3 | 21 | -126.8 | 168.9 | 0 | 0 | 0 | 113.1 | ||||
| 117 | V | 45 | Very low | 46.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | trans | 82.8 | 141 | 155.7 | -134 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 118 | F | 42.1 | Very low | 46.3 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | trans | 90.3 | 104.7 | 163.4 | -65.7 | -80.5 | 0 | 0 | 0 | 118 | ||||
| 119 | R | 44.5 | Very low | 46.4 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | 61.2 | 133.6 | 74.9 | -75.5 | -169.9 | 166 | -176.3 | -0.8 | 112.8 | |||||
| 120 | R | 48 | Very low | 46.1 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -159.9 | 174.8 | 8.9 | -113.9 | 174.8 | 179.5 | -172.1 | -2.4 | 110.4 | ||||
| 121 | P | 50.6 | Low | 46.3 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -117.7 | -176.7 | -164.3 | 43.9 | -35.7 | 0 | 0 | 0 | 117.5 | ||||
| 122 | A | 46 | Very low | 46.1 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 97.3 | 127.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 123 | T | 48.1 | Very low | 46.1 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | -168.7 | 152.4 | 128.3 | 27.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 124 | T | 54.5 | Low | 45.6 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -79.7 | 174.8 | -160.6 | 37.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 125 | P | 51.2 | Low | 46.2 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | trans | -113.5 | 173.5 | -171.2 | 42.6 | -33.9 | 0 | 0 | 0 | 116.2 | ||||
| 126 | S | 44.3 | Very low | 46.4 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -163.3 | 126.3 | 156.5 | -150.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 127 | R | 41.3 | Very low | 46.5 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | trans | 41.2 | 127.4 | 139.1 | -76.4 | -174.8 | 165.9 | -164.6 | -0.1 | 124.8 | ||||
| 128 | R | 41.5 | Very low | 46.1 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | 105.2 | 131 | 115.2 | -91.4 | -176.4 | -176.6 | -150.7 | -1.7 | 122.6 | |||||
| 129 | L | 42.7 | Very low | 45.9 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 97.6 | 140.4 | 148.8 | -65.5 | 159.9 | 0 | 0 | 0 | 121 | ||||
| 130 | G | 42.6 | Very low | 45.7 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 100.9 | 73.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 131 | V | 49.3 | Very low | 45.1 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | 56.7 | 106.7 | 84.6 | -172.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 132 | S | 43.7 | Very low | 44.8 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | 171.8 | 115.9 | 131.2 | -176.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 133 | R | 47.1 | Very low | 44.5 | Very low | 234 Ų | 234 | 151.4 Ų | 151.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 74.8 | 141.6 | 148.2 | -63.9 | 171 | -169.9 | -159.2 | -0.3 | 122.1 | ||||
| 134 | Y | 49.5 | Very low | 44.3 | Very low | 215 Ų | 215 | 152.6 Ų | 152.6 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -111.8 | -161.7 | -173.7 | -60.1 | -93.1 | 0 | 0 | 0 | 110.6 | ||||
| 135 | P | 55.2 | Low | 43.8 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -122.9 | 155.6 | -26.7 | 11.9 | 13.5 | 0 | 0 | 0 | 113 | ||||
| 136 | I | 44.7 | Very low | 43.6 | Very low | 141 Ų | 141 | 155 Ų | 155 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | 52.9 | 114.5 | 85.4 | -47.4 | 170.3 | 0 | 0 | 0 | 116.1 | |||||
| 137 | Q | 45 | Very low | 43.5 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -146.1 | 144 | 135.7 | -118.3 | 176.2 | 0.2 | 0 | 0 | 111.1 | ||||
| 138 | H | 36.2 | Very low | 44 | Very low | 168 Ų | 168 | 157.9 Ų | 157.9 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | trans | -140 | 179.7 | -172.5 | -132.2 | -95.5 | 0 | 0 | 0 | 108.3 | ||||
| 139 | C | 38.4 | Very low | 44.6 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | 90.5 | 125.7 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 140 | L | 40.2 | Very low | 45.1 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | 85.8 | 121.5 | 36.4 | -69.6 | 178.2 | 0 | 0 | 0 | 115.9 | ||||
| 141 | C | 34.3 | Very low | 45.7 | Very low | 98 Ų | 98 | 155.2 Ų | 155.2 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | 91.3 | 134.8 | 144.6 | -68 | 0 | 0 | 0 | 0 | 122 | ||||
| 142 | N | 45.4 | Very low | 45.5 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | 72.5 | 122.6 | 154.6 | -52.8 | -25.9 | 0 | 0 | 0 | 117.2 | ||||
| 143 | R | 39.1 | Very low | 45.5 | Very low | 225 Ų | 225 | 161.3 Ų | 161.3 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | cis | 77.7 | 88.6 | 48.2 | -166.5 | -170.2 | -162.8 | 174.9 | 7.8 | 113.6 | ||||
| 144 | I | 43.2 | Very low | 45.2 | Very low | 173 Ų | 173 | 156 Ų | 156 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | -131.5 | 152.6 | 155.6 | -73.5 | 178.5 | 0 | 0 | 0 | 108.3 | ||||
| 145 | V | 45 | Very low | 44.6 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -106.5 | 139.7 | -173.5 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 146 | E | 46 | Very low | 44 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -147.8 | 154.9 | 151.1 | -134.5 | 163.6 | -153.8 | 0 | 0 | 112 | ||||
| 147 | R | 42 | Very low | 43.4 | Very low | 218 Ų | 218 | 149.1 Ų | 149.1 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | trans | -108.5 | 135.5 | -166.5 | -61.7 | 171.1 | 174.1 | 139.6 | -7.1 | 111.2 | ||||
| 148 | V | 53.5 | Low | 43.2 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -143.5 | 125.6 | 150.5 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 149 | D | 52.6 | Low | 43.4 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -90.6 | 158.8 | -177.3 | -83.1 | -59.1 | 0 | 0 | 0 | 113.1 | ||||
| 150 | P | 55 | Low | 43.4 | Very low | 104 Ų | 104 | 149 Ų | 149 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -105 | 176.2 | -167.9 | 41.1 | -36.3 | 0 | 0 | 0 | 113.7 | ||||
| 151 | P | 54.4 | Low | 43.5 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -112.2 | 136.2 | 153.8 | 34.3 | -25.3 | 0 | 0 | 0 | 113.2 | ||||
| 152 | K | 45.4 | Very low | 43.9 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 141.3 | 169.5 | -58.2 | 158.3 | -176.5 | 170.3 | 0 | 108.8 | ||||
| 153 | L | 43.5 | Very low | 44 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -100 | 128.8 | 161.6 | -73.4 | 178.1 | 0 | 0 | 0 | 110 | ||||
| 154 | V | 41.4 | Very low | 44 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -108.1 | 135.5 | -169.8 | 169.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | S | 35.4 | Very low | 44.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 130.5 | 166.7 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 156 | T | 42.4 | Very low | 43.7 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | -171.5 | 147.5 | 124.2 | 28.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 157 | S | 33.4 | Very low | 43.2 | Very low | 94 Ų | 94 | 143.2 Ų | 143.2 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -46.4 | 150.5 | 169.6 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 158 | F | 41.4 | Very low | 42.9 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -163.6 | 161.2 | 136.7 | -95.7 | -62.6 | 0 | 0 | 0 | 113 | ||||
| 159 | Y | 39.6 | Very low | 41.9 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 72.8 | 88.4 | 167.8 | -58.2 | -63.1 | 0 | 0 | 0 | 120.5 | ||||
| 160 | S | 37.5 | Very low | 41 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -40.7 | 144.7 | 132.1 | 52.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 161 | L | 42.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | 179.3 | 112.6 | 130.7 | -96.8 | 151.8 | 0 | 0 | 0 | 111.2 | ||||
| 162 | L | 43.3 | Very low | 39.2 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -76.7 | 157.3 | 150.6 | -79.4 | 156.9 | 0 | 0 | 0 | 108 | ||||
| 163 | P | 46.7 | Very low | 38.8 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | -143.8 | 157.4 | 107.1 | 36.2 | -22.1 | 0 | 0 | 0 | 115.5 | |||||
| 164 | S | 40.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -90.9 | 144.5 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 165 | G | 45.2 | Very low | 38.6 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -174.9 | 121.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 166 | L | 36.1 | Very low | 39 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | cis | 79.4 | 94.7 | 47.4 | -61.4 | -179 | 0 | 0 | 0 | 115.2 | ||||
| 167 | Y | 36.1 | Very low | 38.9 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | trans | 74.3 | 145.1 | 135.5 | -78.9 | -72.5 | 0 | 0 | 0 | 124.5 | ||||
| 168 | L | 34.3 | Very low | 39.4 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 60.2 | 143.5 | 158.7 | -91.4 | 55.5 | 0 | 0 | 0 | 117.3 | ||||
| 169 | V | 33.1 | Very low | 39.1 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | cis | 146.2 | 130.9 | -11.7 | 145.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 170 | Q | 34.2 | Very low | 39.1 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 136.2 | 155.2 | -89.4 | 169.4 | -17.3 | 0 | 0 | 123.9 | ||||
| 171 | R | 35.5 | Very low | 39.3 | Very low | 200 Ų | 200 | 132.1 Ų | 132.1 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 74.4 | 145.7 | 145.5 | -69.1 | -177.8 | 144 | 150.8 | -1.2 | 117.6 | ||||
| 172 | E | 35.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -159 | 159.7 | 1.6 | -124.9 | 171.4 | -154.6 | 0 | 0 | 114.3 | ||||
| 173 | V | 36.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | 57 | 125.3 | 141.6 | 171.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 174 | S | 39.7 | Very low | 39.5 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 160.5 | 108 | 130.2 | -71.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 175 | S | 42.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | 73.1 | 140.6 | 79.9 | 83.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 176 | T | 42.6 | Very low | 39.4 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | cis | -155.1 | 159.2 | 18.6 | 43.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 177 | G | 40.9 | Very low | 39.8 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | 87.8 | 148.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 178 | Q | 42.8 | Very low | 40.1 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | cis | -160 | 141.7 | -9.7 | -102.8 | -169.5 | -10.1 | 0 | 0 | 111.7 | ||||
| 179 | I | 36.1 | Very low | 40.3 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 50.9 | 126.6 | 139.7 | -50.9 | 164.8 | 0 | 0 | 0 | 118.5 | ||||
| 180 | G | 39.5 | Very low | 40.6 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -161.1 | -144.5 | 4.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 181 | S | 41.3 | Very low | 40.7 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | cis | 173.3 | 142.6 | -16.4 | 43.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 182 | Q | 47.6 | Very low | 40.9 | Very low | 185 Ų | 185 | 128.1 Ų | 128.1 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | cis | -151.6 | -160.2 | 3.7 | -130.2 | -170.9 | -42.3 | 0 | 0 | 109.6 | ||||
| 183 | P | 49.1 | Very low | 40.8 | Very low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | -134.8 | -146.4 | -137.4 | 45.5 | -23.4 | 0 | 0 | 0 | 116.6 | ||||
| 184 | E | 39.9 | Very low | 40.8 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | trans | 98.7 | 131.3 | 175.2 | -56.2 | -84 | 110.8 | 0 | 0 | 114 | R186 | E184-R186 IonicContact OE1-NH1 3.97Å; E184-R186 IonicContact OE2-NH1 3.08Å | ||
| 185 | V | 42.8 | Very low | 40.9 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 58% | 0.576 | 74% | 0.744 | S | S | * | * | cis | -156.2 | 138.5 | 0.7 | 105.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 186 | R | 42.3 | Very low | 40.6 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | trans | 28.4 | 155.7 | 137.3 | -59.2 | -177.6 | -173 | 97.5 | 9.4 | 121.3 | E184 | E184-R186 IonicContact OE1-NH1 3.97Å; E184-R186 IonicContact OE2-NH1 3.08Å | ||
| 187 | D | 43.1 | Very low | 40.4 | Very low | 140 Ų | 140 | 128.4 Ų | 128.4 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | cis | -166.8 | 172.3 | -18.3 | -82.4 | -28.6 | 0 | 0 | 0 | 103.3 | ||||
| 188 | D | 42 | Very low | 40.3 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | cis | -148.6 | -179.6 | 9.8 | -170.6 | 15 | 0 | 0 | 0 | 108.9 | ||||
| 189 | I | 39.5 | Very low | 41 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | trans | -119 | 145.5 | 174 | -66.7 | 165.5 | 0 | 0 | 0 | 109.5 | V191 | I189-V191 HydrophobicContact CG2-CG2 4.09Š| ||
| 190 | N | 39.2 | Very low | 41.7 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -144.2 | 108.9 | 149.3 | -99.3 | -53.8 | 0 | 0 | 0 | 112.4 | ||||
| 191 | V | 36.7 | Very low | 41.9 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | -100.5 | 131 | 170.2 | 172.6 | 0 | 0 | 0 | 0 | 108 | I189 | I189-V191 HydrophobicContact CG2-CG2 4.09Š| ||
| 192 | V | 40.2 | Very low | 42 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 75% | 0.752 | S | S | * | * | trans | -130.3 | 129.7 | 161.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 193 | N | 32.7 | Very low | 42 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -84.4 | 149.1 | -174.5 | -83.3 | -39 | 0 | 0 | 0 | 113.2 | ||||
| 194 | V | 36.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | trans | 47.4 | 122.7 | 135.4 | -178.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 195 | T | 41.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -155.4 | 144.2 | 134.3 | 4.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 196 | V | 36.4 | Very low | 41.3 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -93.5 | 136.6 | 179.4 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 197 | G | 38.6 | Very low | 41.3 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -148.4 | 124 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 198 | N | 39 | Very low | 41.2 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84 | 164 | -177.9 | -87 | -36.7 | 0 | 0 | 0 | 113 | ||
| 199 | P | 56.5 | Low | 41.2 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 166.8 | -162.1 | 37.9 | -37.6 | 0 | 0 | 0 | 115 | ||
| 200 | P | 51.6 | Low | 41.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 138.2 | 169.6 | 36 | -28.8 | 0 | 0 | 0 | 115 | ||
| 201 | V | 44.5 | Very low | 41 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 148.8 | 168.6 | 173.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 202 | G | 42.9 | Very low | 41 | Very low | 65 Ų | 65 | 143.8 Ų | 143.8 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | -170.3 | 81.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 203 | T | 47.6 | Very low | 41.1 | Very low | 123 Ų | 123 | 145 Ų | 145 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | 38.7 | 109.6 | 147.3 | 50.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 204 | R | 36 | Very low | 41.3 | Very low | 230 Ų | 230 | 144.5 Ų | 144.5 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | 72 | 115.6 | 89.5 | -78.1 | -172.1 | 177.8 | -175.6 | 0.6 | 116.6 | |||||
| 205 | G | 39.4 | Very low | 41.6 | Very low | 76 Ų | 76 | 144.8 Ų | 144.8 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | trans | -162.1 | 117.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 206 | Y | 42.1 | Very low | 41.4 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 154.9 | 176 | -43 | -94.3 | 0 | 0 | 0 | 111.5 | ||||
| 207 | G | 40.6 | Very low | 41.6 | Very low | 67 Ų | 67 | 149.8 Ų | 149.8 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | 140.4 | 139.4 | 3.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 208 | S | 40.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | 163.7 | 131.8 | 155.4 | -82.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 209 | P | 43.7 | Very low | 42 | Very low | 117 Ų | 117 | 152 Ų | 152 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -106.1 | 145.5 | 178.6 | 38 | -31.8 | 0 | 0 | 0 | 114 | ||||
| 210 | R | 37.9 | Very low | 41.6 | Very low | 251 Ų | 251 | 152.1 Ų | 152.1 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | trans | 177.6 | 147 | 157.5 | -92.7 | 142.4 | -167.2 | -147 | 4.8 | 105.2 | ||||
| 211 | R | 36.4 | Very low | 40.9 | Very low | 215 Ų | 215 | 153.1 Ų | 153.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | cis | -154.9 | 140.6 | 24.8 | -164.3 | 176.9 | -170 | -126.6 | 7.7 | 108.4 | ||||
| 212 | R | 36.3 | Very low | 40.5 | Very low | 236 Ų | 236 | 157.7 Ų | 157.7 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -76.2 | 129.6 | 167.8 | -78.9 | 177.2 | 170.8 | 149.1 | -3.8 | 109 | ||||
| 213 | E | 41.3 | Very low | 40.3 | Very low | 165 Ų | 165 | 162.5 Ų | 162.5 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | trans | -92.3 | 122.4 | 161 | -66.8 | -160.5 | 146.7 | 0 | 0 | 109.6 | ||||
| 214 | V | 36.7 | Very low | 40 | Very low | 121 Ų | 121 | 161.8 Ų | 161.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -102.6 | 105.8 | 172.9 | 173.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 215 | V | 44.4 | Very low | 40.2 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -85.6 | 114.6 | 171.2 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 216 | Q | 37.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 165 Ų | 165 | 71% | 0.71 | 81% | 0.813 | S | S | * | * | trans | -68.2 | 141.1 | 178.6 | -69 | 145.7 | -40.1 | 0 | 0 | 111.4 | ||||
| 217 | R | 40.7 | Very low | 40 | Very low | 232 Ų | 232 | 166.2 Ų | 166.2 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | -140.1 | 95 | 153.9 | -68.2 | -167.5 | -157 | 154.3 | 7.7 | 109 | ||||
| 218 | D | 39.6 | Very low | 40.1 | Very low | 139 Ų | 139 | 167.3 Ų | 167.3 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -74 | 126.4 | 173.3 | -63.2 | -63.1 | 0 | 0 | 0 | 110.8 | ||||
| 219 | V | 46.6 | Very low | 40.1 | Very low | 138 Ų | 138 | 168.3 Ų | 168.3 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -139.6 | 98.6 | 164.7 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 220 | P | 47.3 | Very low | 40 | Very low | 115 Ų | 115 | 173.4 Ų | 173.4 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -92.7 | 131.1 | 171.9 | 32.5 | -29.2 | 0 | 0 | 0 | 112.3 | ||||
| 221 | N | 36.1 | Very low | 40 | Very low | 149 Ų | 149 | 172.6 Ų | 172.6 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -44.8 | 147.2 | 170 | -60.2 | -73.5 | 0 | 0 | 0 | 115 | ||||
| 222 | R | 37.7 | Very low | 40.2 | Very low | 245 Ų | 245 | 174.6 Ų | 174.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | 172.4 | 126.1 | 111.8 | -91.1 | 163 | -169 | -167.1 | 6 | 113.9 | |||||
| 223 | L | 38.2 | Very low | 40.3 | Very low | 167 Ų | 167 | 174.1 Ų | 174.1 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -72.9 | 152.6 | 153.1 | -86.1 | 161.7 | 0 | 0 | 0 | 109.4 | ||||
| 224 | P | 40.9 | Very low | 40.4 | Very low | 107 Ų | 107 | 172 Ų | 172 | 70% | 0.695 | 83% | 0.828 | S | S | * | * | -156.1 | 156 | 84.9 | 39.1 | -18.4 | 0 | 0 | 0 | 119.5 | |||||
| 225 | Q | 40.7 | Very low | 40.7 | Very low | 182 Ų | 182 | 173.2 Ų | 173.2 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | trans | 50.3 | 109.5 | 140.4 | -62.3 | 176.5 | 20.3 | 0 | 0 | 122.2 | ||||
| 226 | Q | 41.6 | Very low | 40.5 | Very low | 193 Ų | 193 | 171.3 Ų | 171.3 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | trans | -138.7 | 121.4 | 137.7 | -60.6 | -171.3 | 13 | 0 | 0 | 107.5 | ||||
| 227 | R | 34.3 | Very low | 40.7 | Very low | 248 Ų | 248 | 167.8 Ų | 167.8 | 94% | 0.936 | 85% | 0.846 | S | S | * | * | 68.1 | 87.7 | 66.6 | -83.2 | -169.9 | 160.6 | -164.5 | -2.6 | 115.7 | |||||
| 228 | A | 43.3 | Very low | 40.7 | Very low | 90 Ų | 90 | 168.4 Ų | 168.4 | 74% | 0.744 | 85% | 0.848 | S | S | * | * | trans | 179.1 | 114.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 229 | N | 41 | Very low | 40.6 | Very low | 148 Ų | 148 | 173.4 Ų | 173.4 | 79% | 0.791 | 86% | 0.856 | S | S | * | * | 62.2 | 89.7 | 76.6 | -71.2 | -20.9 | 0 | 0 | 0 | 115.3 | |||||
| 230 | F | 42.6 | Very low | 40.3 | Very low | 223 Ų | 223 | 175.5 Ų | 175.5 | 98% | 0.978 | 86% | 0.862 | S | S | * | * | trans | -141.4 | 140.8 | 137 | -90.6 | -68.1 | 0 | 0 | 0 | 112 | ||||
| 231 | R | 36.2 | Very low | 40.1 | Very low | 234 Ų | 234 | 173.8 Ų | 173.8 | 88% | 0.883 | 86% | 0.857 | S | S | * | * | trans | -98.3 | 144.1 | -174.7 | -60.7 | 169.5 | 173.1 | 171.7 | -3.9 | 110.3 | ||||
| 232 | R | 40.9 | Very low | 40.2 | Very low | 257 Ų | 257 | 175.8 Ų | 175.8 | 97% | 0.97 | 86% | 0.862 | S | S | * | * | trans | -171.2 | 152.2 | 132.5 | -97.3 | 155.2 | -155.9 | -101.7 | 6.2 | 109.7 | ||||
| 233 | R | 38.9 | Very low | 40.2 | Very low | 226 Ų | 226 | 167.6 Ų | 167.6 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | trans | -125.4 | 158.9 | -169.9 | -130.4 | -169.2 | 160.8 | -177.4 | -6.8 | 109.6 | ||||
| 234 | P | 44.4 | Very low | 40.3 | Very low | 121 Ų | 121 | 165.1 Ų | 165.1 | 79% | 0.786 | 85% | 0.845 | S | S | * | * | trans | -109.3 | -177.7 | -166.6 | 42.4 | -33.8 | 0 | 0 | 0 | 114.5 | ||||
| 235 | T | 42.1 | Very low | 40.4 | Very low | 147 Ų | 147 | 165.3 Ų | 165.3 | 90% | 0.902 | 85% | 0.845 | S | S | * | * | trans | -144.3 | 133.4 | -177.2 | -26.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 236 | G | 39.8 | Very low | 40.1 | Very low | 85 Ų | 85 | 164.9 Ų | 164.9 | 88% | 0.876 | 84% | 0.842 | S | S | * | * | trans | 72.8 | 152.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 237 | G | 41 | Very low | 40.2 | Very low | 77 Ų | 77 | 165.9 Ų | 165.9 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | cis | 148.1 | 141.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 238 | R | 40.7 | Very low | 40.3 | Very low | 246 Ų | 246 | 158.9 Ų | 158.9 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | cis | -146.6 | 145.2 | 1.6 | -66.2 | 172.4 | 171.1 | 175.1 | -3.4 | 111.7 | ||||
| 239 | R | 39.3 | Very low | 40.1 | Very low | 243 Ų | 243 | 162.6 Ų | 162.6 | 92% | 0.917 | 84% | 0.836 | S | S | * | * | trans | 9.6 | 138.4 | 147 | -56.6 | -178.1 | 179.7 | -140.5 | 1 | 122.3 | ||||
| 240 | L | 39.7 | Very low | 40.1 | Very low | 183 Ų | 183 | 162.4 Ų | 162.4 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | -164.5 | 161.1 | 117.6 | -106.3 | 158.9 | 0 | 0 | 0 | 112.1 | |||||
| 241 | A | 42.3 | Very low | 39.7 | Very low | 78 Ų | 78 | 160.7 Ų | 160.7 | 65% | 0.645 | 82% | 0.823 | S | S | * | * | trans | -122.8 | 137.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 242 | Q | 39.5 | Very low | 40.2 | Very low | 191 Ų | 191 | 161 Ų | 161 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | 75.8 | 113.9 | 92.1 | -161.8 | 178.8 | 22 | 0 | 0 | 114.5 | |||||
| 243 | G | 37.3 | Very low | 40.1 | Very low | 74 Ų | 74 | 152.9 Ų | 152.9 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -157.1 | 123.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | V | 39.9 | Very low | 40.4 | Very low | 114 Ų | 114 | 150 Ų | 150 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -127 | 132.2 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 245 | V | 42.6 | Very low | 40.3 | Very low | 112 Ų | 112 | 150 Ų | 150 | 68% | 0.679 | 81% | 0.808 | S | S | * | * | trans | -125.4 | 127.2 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | Y247 | V245-Y247 HydrophobicContact CG1-CD2 4.05Å; V245-Y247 HydrophobicContact CG1-CE2 3.59Å | ||
| 246 | H | 35.4 | Very low | 39.9 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 136.5 | 171.2 | -71.4 | -92.6 | 0 | 0 | 0 | 109.2 | ||||
| 247 | Y | 42.4 | Very low | 39.8 | Very low | 215 Ų | 215 | 157.7 Ų | 157.7 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -112.7 | 140.9 | 168 | -79.7 | -79 | 0 | 0 | 0 | 110.6 | V245 | V245-Y247 HydrophobicContact CG1-CD2 4.05Å; V245-Y247 HydrophobicContact CG1-CE2 3.59Å | ||
| 248 | S | 37.5 | Very low | 39.7 | Very low | 101 Ų | 101 | 159.6 Ų | 159.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 139.4 | -178.5 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 249 | N | 37.8 | Very low | 39.8 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 124.2 | 160.6 | -79.7 | -14.5 | 0 | 0 | 0 | 109.7 | ||
| 250 | N | 42 | Very low | 39.8 | Very low | 144 Ų | 144 | 148.7 Ų | 148.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 140 | 178.6 | -110.6 | -16.3 | 0 | 0 | 0 | 111.6 | ||
| 251 | Y | 34.6 | Very low | 40.1 | Very low | 187 Ų | 187 | 145.7 Ų | 145.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -9 | 132.9 | 159 | -76.8 | -97.9 | 0 | 0 | 0 | 119.5 | ||||
| 252 | Y | 45.4 | Very low | 40.3 | Very low | 239 Ų | 239 | 147.4 Ų | 147.4 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | -130.1 | 129.4 | 124 | -87.6 | -82.1 | 0 | 0 | 0 | 109.7 | |||||
| 253 | S | 40.2 | Very low | 40.4 | Very low | 88 Ų | 88 | 150.3 Ų | 150.3 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | -92.2 | 176.6 | 178.2 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 254 | I | 44.9 | Very low | 40.3 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | 142.2 | 138.7 | 157.7 | -77 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 255 | P | 42 | Very low | 40.5 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -125.6 | -172 | -101.7 | 27.1 | -3.4 | 0 | 0 | 0 | 114.3 | |||||
| 256 | R | 34.1 | Very low | 40.3 | Very low | 246 Ų | 246 | 151.7 Ų | 151.7 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 151.5 | 169.9 | -69.6 | -165.5 | 179.8 | -127 | 3.8 | 112 | ||||
| 257 | L | 37.9 | Very low | 40.5 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -133 | 117.1 | 166.1 | -169.4 | 71 | 0 | 0 | 0 | 108.3 | ||||
| 258 | D | 38 | Very low | 40.4 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | trans | 43.4 | 163.5 | 154.4 | -41.1 | -26.2 | 0 | 0 | 0 | 121.5 | ||||
| 259 | Q | 43.2 | Very low | 40.5 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | -141.8 | 153.6 | 6.9 | -117.1 | 100.3 | 27.2 | 0 | 0 | 111.4 | ||||
| 260 | A | 39 | Very low | 40.5 | Very low | 93 Ų | 93 | 148.8 Ų | 148.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 58.4 | 119.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 261 | P | 45.9 | Very low | 40.3 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -114.3 | -166.1 | 147.3 | 39 | -26.6 | 0 | 0 | 0 | 110.8 | ||||
| 262 | P | 47.5 | Very low | 40.5 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | -129.2 | 166.9 | -53 | 36.1 | -21.6 | 0 | 0 | 0 | 112.7 | |||||
| 263 | R | 40 | Very low | 40.2 | Very low | 252 Ų | 252 | 150.5 Ų | 150.5 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -143.1 | 136.9 | 146.6 | -74.9 | -159.6 | 173.5 | -177.1 | -1.3 | 109.8 | ||||
| 264 | G | 36 | Very low | 40.1 | Very low | 83 Ų | 83 | 150 Ų | 150 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -101.5 | -179.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 265 | N | 43.6 | Very low | 40 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -146.3 | 142.1 | 155.2 | -164.3 | 4.6 | 0 | 0 | 0 | 109.3 | ||||
| 266 | A | 39.3 | Very low | 40 | Very low | 80 Ų | 80 | 152.2 Ų | 152.2 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | trans | -102.4 | 135.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 267 | G | 39.7 | Very low | 40.2 | Very low | 78 Ų | 78 | 144.3 Ų | 144.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -149.1 | 108.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 268 | Y | 39.4 | Very low | 40.2 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -77.8 | 138 | -178.7 | -62 | -93.6 | 0 | 0 | 0 | 111.1 | ||||
| 269 | G | 40.1 | Very low | 40.3 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | trans | -168.9 | 82.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 270 | Y | 36.9 | Very low | 39.9 | Very low | 223 Ų | 223 | 139.9 Ų | 139.9 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | 48 | 115 | 154 | -61 | -78.8 | 0 | 0 | 0 | 121 | ||||
| 271 | R | 38.6 | Very low | 40.1 | Very low | 223 Ų | 223 | 139.3 Ų | 139.3 | 84% | 0.842 | 83% | 0.828 | S | S | * | * | trans | -64.6 | 133.3 | 160 | -63.1 | 175.9 | -178.8 | 170.7 | 1 | 110.3 | ||||
| 272 | N | 38.4 | Very low | 40.1 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -111.7 | 110 | 155.6 | -86.8 | -56.6 | 0 | 0 | 0 | 109.5 | ||||
| 273 | Y | 38.8 | Very low | 39.7 | Very low | 223 Ų | 223 | 142.8 Ų | 142.8 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | trans | -91.4 | 112.1 | 163.8 | -100.8 | -99.4 | 0 | 0 | 0 | 107.8 | ||||
| 274 | G | 39.5 | Very low | 39.7 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | -177.5 | 135.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 275 | G | 41.6 | Very low | 39.7 | Very low | 71 Ų | 71 | 134.3 Ų | 134.3 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | 71.4 | 102.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 276 | R | 41.8 | Very low | 39.8 | Very low | 261 Ų | 261 | 136.6 Ų | 136.6 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | 39 | 120.5 | 67.9 | -76.7 | -156 | -168 | -110.4 | 9.6 | 114.5 | |||||
| 277 | G | 38.5 | Very low | 40.2 | Very low | 80 Ų | 80 | 140 Ų | 140 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | 112 | 113 | 177 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 278 | G | 38.1 | Very low | 40.2 | Very low | 88 Ų | 88 | 146 Ų | 146 | 91% | 0.907 | 83% | 0.828 | S | S | * | * | cis | 103.9 | 77.1 | 22.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 279 | G | 40.1 | Very low | 40.9 | Very low | 71 Ų | 71 | 141.9 Ų | 141.9 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | -174.8 | 90 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G281 | G279-G281 PolarHBondContact O-N 3.4Š| ||
| 280 | M | 35.8 | Very low | 41.3 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -68 | 97.5 | 167.1 | -91.4 | 79.2 | 162.3 | 0 | 0 | 110.1 | ||||
| 281 | G | 42.7 | Very low | 41.9 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -91 | 87.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G279 | G279-G281 PolarHBondContact O-N 3.4Š| ||
| 282 | R | 45.3 | Very low | 42.5 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -81.1 | 138.2 | 177.5 | -75 | -176.7 | 171.3 | -167.1 | -2.4 | 111.2 | ||||
| 283 | G | 39.9 | Very low | 43.1 | Very low | 75 Ų | 75 | 137.2 Ų | 137.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | 80.6 | 100.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 284 | G | 39.5 | Very low | 43.8 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | cis | 70.6 | 76.8 | 17.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | R286 | G284-R286 PolarHBondContact O-N 2.94Š| ||
| 285 | G | 36.9 | Very low | 44.8 | Very low | 88 Ų | 88 | 143.3 Ų | 143.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -55.1 | 112.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 286 | R | 45.9 | Very low | 46 | Very low | 213 Ų | 213 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -127.9 | 112.4 | 163.6 | -68.7 | -165.7 | -173.6 | -133.7 | 3 | 108 | G284 F288 | G284-R286 PolarHBondContact O-N 2.94Å; R286-F288 PolarHBondContact O-N 2.87Å | ||
| 287 | Q | 45.9 | Very low | 47.3 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | 7.7 | 98.9 | 141.7 | -66.3 | 145.7 | -20.1 | 0 | 0 | 114.2 | Q289 | Q287-Q289 HydrophobicContact CB-CB 4.5Å; Q287-Q289 HydrophobicContact CB-CG 4.39Å; Q287-Q289 PolarHBondContact O-N 2.86Å | ||
| 288 | F | 41.5 | Very low | 48.9 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 89% | 0.886 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 77.5 | 160.5 | -77.2 | -87.8 | 0 | 0 | 0 | 108.4 | R286 | R286-F288 PolarHBondContact O-N 2.87Š|
| 289 | Q | 52.6 | Low | 50.6 | Low | 143 Ų | 143 | 146.8 Ų | 146.8 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | -18 | 178.4 | -75.5 | 179 | -29.8 | 0 | 0 | 113.6 | Q287 | Q287-Q289 HydrophobicContact CB-CB 4.5Å; Q287-Q289 HydrophobicContact CB-CG 4.39Å; Q287-Q289 PolarHBondContact O-N 2.86Å |
| 290 | D | 49.5 | Very low | 52.2 | Low | 140 Ų | 140 | 152.1 Ų | 152.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 11.5 | -169.4 | -61.5 | -31 | 0 | 0 | 0 | 116.3 | N292 | D290-N292 VanDerWaalsContact C-N 3.32Š|
| 291 | L | 49.3 | Very low | 54 | Low | 166 Ų | 166 | 155.4 Ų | 155.4 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 8 | 174.5 | -81.5 | 169.1 | 0 | 0 | 0 | 114.1 | M293 | L291-M293 VanDerWaalsContact C-N 3.31Å; L291-M293 PolarHBondContact O-N 3.45Å |
| 292 | N | 52.1 | Low | 55.9 | Low | 107 Ų | 107 | 157 Ų | 157 | 57% | 0.572 | 77% | 0.77 | S | S | * | * | trans | -91.2 | 22.3 | -178.7 | -156.1 | 20 | 0 | 0 | 0 | 114 | D290 | D290-N292 VanDerWaalsContact C-N 3.32Š| ||
| 293 | M | 50.5 | Low | 57.8 | Low | 161 Ų | 161 | 153.6 Ų | 153.6 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -110 | 31.1 | -166.2 | -73.8 | -100 | 67.7 | 0 | 0 | 115.5 | L291 | L291-M293 VanDerWaalsContact C-N 3.31Å; L291-M293 PolarHBondContact O-N 3.45Å |
| 294 | Y | 53.1 | Low | 60 | Low | 214 Ų | 214 | 157.8 Ų | 157.8 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | -162.4 | 58.7 | 150.1 | -147.5 | -96.1 | 0 | 0 | 0 | 112.9 | ||||
| 295 | R | 59.4 | Low | 62.3 | Low | 213 Ų | 213 | 158.6 Ų | 158.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -77.7 | 122.3 | 155.1 | -92.3 | -173.9 | 162.9 | -165.3 | -6.5 | 107.4 | K297 | R295-K297 PolarHBondContact O-N 3.1Å; R295-K297 VanDerWaalsContact O-N 3.1Å | ||
| 296 | P | 67.9 | Low | 64.9 | Low | 97 Ų | 97 | 161.1 Ų | 161.1 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | trans | -59.4 | 120.2 | 170.8 | 25.3 | -31.9 | 0 | 0 | 0 | 107.5 | L298 | P296-L298 PolarHBondContact O-N 3.45Š| ||
| 297 | K | 68.8 | Low | 67 | Low | 176 Ų | 176 | 157.3 Ų | 157.3 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -62.4 | 110.3 | 167.5 | -73.3 | -176.8 | 176.6 | -177.6 | 0 | 106.1 | R295 F299 | R295-K297 PolarHBondContact O-N 3.1Å; R295-K297 VanDerWaalsContact O-N 3.1Å; K297-F299 VanDerWaalsContact C-N 3.32Å; K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 4.04Å; K297-F299 WeakPolarHBondContact O-CD2 3.4Å; K297-F299 PolarHBondContact O-N 3.42Å | ||
| 298 | L | 73.3 | Confident | 69.1 | Low | 125 Ų | 125 | 155.8 Ų | 155.8 | 65% | 0.654 | 72% | 0.72 | S | S | * | * | trans | -63.2 | 99.5 | 170.3 | -72 | 170.2 | 0 | 0 | 0 | 106.8 | P296 Y300 | P296-L298 PolarHBondContact O-N 3.45Å; L298-Y300 HydrophobicContact CB-CE1 4.07Å; L298-Y300 HydrophobicContact CB-CE2 4.18Å; L298-Y300 PolarHBondContact O-N 3.03Å | ||
| 299 | F | 71.8 | Confident | 71.5 | Confident | 175 Ų | 175 | 146.8 Ų | 146.8 | 77% | 0.768 | 68% | 0.684 | S | S | * | * | trans | -80.5 | 92.3 | 169.8 | -83.6 | -83.2 | 0 | 0 | 0 | 107.6 | K297 R301 | K297-F299 VanDerWaalsContact C-N 3.32Å; K297-F299 HydrophobicContact CB-CD2 4.22Å; K297-F299 HydrophobicContact CB-CE2 4.04Å; K297-F299 WeakPolarHBondContact O-CD2 3.4Å; K297-F299 PolarHBondContact O-N 3.42Å; F299-R301 PolarHBondContact O-N 3.07Å | ||
| 300 | Y | 74.5 | Confident | 73.2 | Confident | 182 Ų | 182 | 145.4 Ų | 145.4 | 71% | 0.714 | 68% | 0.681 | S | S | * | * | trans | -60.8 | 123.8 | 164.1 | -47.6 | -73 | 0 | 0 | 0 | 107.7 | L298 | L298-Y300 HydrophobicContact CB-CE1 4.07Å; L298-Y300 HydrophobicContact CB-CE2 4.18Å; L298-Y300 PolarHBondContact O-N 3.03Å | ||
| 301 | R | 73.9 | Confident | 75.2 | Confident | 250 Ų | 250 | 144.4 Ų | 144.4 | 94% | 0.943 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -90.6 | -16.9 | 176.9 | -73.2 | -174.9 | 173.2 | -176.5 | -1.8 | 112.7 | F299 | F299-R301 PolarHBondContact O-N 3.07Š|
| 302 | T | 82.3 | Confident | 77.2 | Confident | 116 Ų | 116 | 141.4 Ų | 141.4 | 71% | 0.712 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -137.1 | 148.6 | -179.4 | 49.7 | 0 | 0 | 0 | 0 | 106.8 | ||
| 303 | D | 85 | Confident | 79.2 | Confident | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 65% | 0.652 | S | S | * | * | trans | -67.3 | 160.9 | 169.1 | -61.3 | -49.2 | 0 | 0 | 0 | 110 | D305 | D303-D305 PolarHBondContact O-N 2.87Š| ||
| 304 | Y | 86.7 | Confident | 81.2 | Confident | 162 Ų | 162 | 137.4 Ų | 137.4 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | trans | -77.9 | 116.5 | 179.4 | -174.5 | -98 | 0 | 0 | 0 | 109.9 | F306 A309 | Y304-F306 AromaticContact CD1-CD1 3.82Å; Y304-F306 HydrophobicContact CD1-CD1 3.82Å; Y304-F306 AromaticContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CG 4.26Å; Y304-F306 HydrophobicContact CD1-CZ 4.23Å; Y304-F306 AromaticContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CE1 4.1Å; Y304-F306 PolarHBondContact O-N 2.97Å; Y304-A309 HydrophobicContact CE1-CB 3.66Å; Y304-A309 HydrophobicContact CE2-CB 4.38Å; Y304-A309 VanDerWaalsContact CZ-CB 3.48Å; Y304-A309 WeakPolarHBondContact OH-CB 3.49Å | ||
| 305 | D | 88.1 | Confident | 83 | Confident | 87 Ų | 87 | 132.9 Ų | 132.9 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | trans | -82.7 | 108.4 | 176.4 | -166.4 | -30.9 | 0 | 0 | 0 | 110.2 | D303 E307 E308 A309 | D303-D305 PolarHBondContact O-N 2.87Å; D305-E307 VanDerWaalsContact C-N 3.27Å; D305-E307 PolarHBondContact O-N 2.8Å; D305-E307 WeakPolarHBondContact OD1-CB 3.25Å; D305-E307 PolarHBondContact OD1-N 3.2Å; D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 PolarHBondContact O-N 2.81Å; D305-E308 PolarHBondContact OD1-N 2.84Å; D305-A309 PolarHBondContact O-N 3.23Å; D305-A309 VanDerWaalsContact O-N 3.07Å | ||
| 306 | F | 90.7 | Very high | 84.6 | Confident | 141 Ų | 141 | 127.9 Ų | 127.9 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.9 | -26.4 | 179 | -62.2 | -81.6 | 0 | 0 | 0 | 112.9 | Y304 N310 | Y304-F306 AromaticContact CD1-CD1 3.82Å; Y304-F306 HydrophobicContact CD1-CD1 3.82Å; Y304-F306 AromaticContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CE1 3.81Å; Y304-F306 HydrophobicContact CD1-CG 4.26Å; Y304-F306 HydrophobicContact CD1-CZ 4.23Å; Y304-F306 AromaticContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CD1 3.89Å; Y304-F306 HydrophobicContact CE1-CE1 4.1Å; Y304-F306 PolarHBondContact O-N 2.97Å; F306-N310 VanDerWaalsContact O-CB 3.31Å; F306-N310 WeakPolarHBondContact O-CB 3.47Å; F306-N310 PolarHBondContact O-N 3.44Å; F306-N310 PolarHBondContact O-ND2 3.46Å |
| 307 | E | 89.3 | Confident | 85.8 | Confident | 133 Ų | 133 | 126.9 Ų | 126.9 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -74.6 | -37 | 177.1 | -64 | -169.3 | -167.8 | 0 | 0 | 111.8 | D305 K311 | D305-E307 VanDerWaalsContact C-N 3.27Å; D305-E307 PolarHBondContact O-N 2.8Å; D305-E307 WeakPolarHBondContact OD1-CB 3.25Å; D305-E307 PolarHBondContact OD1-N 3.2Å; E307-K311 VanDerWaalsContact O-CD 3.23Å; E307-K311 WeakPolarHBondContact O-CD 3.43Å; E307-K311 WeakPolarHBondContact O-CE 3.45Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.5Å; E307-K311 IonicContact OE2-NZ 3.14Å |
| 308 | E | 90.5 | Very high | 86.8 | Confident | 121 Ų | 121 | 124.8 Ų | 124.8 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -48.6 | 173.6 | -169.1 | 166.2 | -144.6 | 0 | 0 | 110.3 | D305 N310 K311 E312 | D305-E308 HydrophobicContact CB-CB 4.04Å; D305-E308 PolarHBondContact O-N 2.81Å; D305-E308 PolarHBondContact OD1-N 2.84Å; E308-N310 VanDerWaalsContact C-N 3.35Å; E308-N310 PolarHBondContact O-N 3.48Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.47Å; E308-E312 PolarHBondContact O-N 2.88Å |
| 309 | A | 91.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 123.6 Ų | 123.6 | 12% | 0.116 | 58% | 0.582 | C | S | . | * | H | α-helix | trans | -58.8 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y304 D305 K311 E312 F313 | Y304-A309 HydrophobicContact CE1-CB 3.66Å; Y304-A309 HydrophobicContact CE2-CB 4.38Å; Y304-A309 VanDerWaalsContact CZ-CB 3.48Å; Y304-A309 WeakPolarHBondContact OH-CB 3.49Å; D305-A309 PolarHBondContact O-N 3.23Å; D305-A309 VanDerWaalsContact O-N 3.07Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 2.88Å; A309-E312 PolarHBondContact O-N 2.82Å; A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.46Å |
| 310 | N | 89.8 | Confident | 88.5 | Confident | 113 Ų | 113 | 119.8 Ų | 119.8 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.5 | -31.5 | 176.5 | -73.7 | -18.4 | 0 | 0 | 0 | 112.2 | F306 E308 A314 | F306-N310 VanDerWaalsContact O-CB 3.31Å; F306-N310 WeakPolarHBondContact O-CB 3.47Å; F306-N310 PolarHBondContact O-N 3.44Å; F306-N310 PolarHBondContact O-ND2 3.46Å; E308-N310 VanDerWaalsContact C-N 3.35Å; E308-N310 PolarHBondContact O-N 3.48Å; N310-A314 WeakPolarHBondContact O-CB 3.29Å; N310-A314 PolarHBondContact O-N 3.12Å; N310-A314 VanDerWaalsContact O-N 3.1Å |
| 311 | K | 91.7 | Very high | 89.3 | Confident | 119 Ų | 119 | 116.7 Ų | 116.7 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.1 | -44 | 173.7 | -68.6 | 158.9 | -166.5 | 153.1 | 0 | 111.2 | E307 E308 A309 F313 A314 Q315 | E307-K311 VanDerWaalsContact O-CD 3.23Å; E307-K311 WeakPolarHBondContact O-CD 3.43Å; E307-K311 WeakPolarHBondContact O-CE 3.45Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.5Å; E307-K311 IonicContact OE2-NZ 3.14Å; E308-K311 WeakPolarHBondContact O-CB 3.35Å; E308-K311 PolarHBondContact O-N 3.47Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 2.88Å; K311-F313 VanDerWaalsContact C-N 3.34Å; K311-F313 PolarHBondContact O-N 3.49Å; K311-A314 PolarHBondContact O-N 2.87Å; K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.64Å |
| 312 | E | 91.5 | Very high | 90.1 | Very high | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.1 | -69.3 | -170.6 | 156.4 | 0 | 0 | 111.6 | E308 A309 A314 Q315 Q316 | E308-E312 PolarHBondContact O-N 2.88Å; A309-E312 PolarHBondContact O-N 2.82Å; E312-A314 PolarHBondContact O-N 3.46Å; E312-Q315 PolarHBondContact O-N 3.08Å; E312-Q316 VanDerWaalsContact O-CG 3.32Å; E312-Q316 WeakPolarHBondContact O-CG 3.33Å; E312-Q316 PolarHBondContact O-N 2.82Å |
| 313 | F | 93.7 | Very high | 90.3 | Very high | 136 Ų | 136 | 110 Ų | 110 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 177.6 | -175.6 | -101.9 | 0 | 0 | 0 | 112.5 | A309 K311 Q316 L317 | A309-F313 WeakPolarHBondContact O-CB 3.28Å; A309-F313 PolarHBondContact O-N 3.46Å; K311-F313 VanDerWaalsContact C-N 3.34Å; K311-F313 PolarHBondContact O-N 3.49Å; F313-Q316 PolarHBondContact O-N 2.8Å; F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.95Å |
| 314 | A | 92.1 | Very high | 90.2 | Very high | 48 Ų | 48 | 107.4 Ų | 107.4 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N310 K311 E312 L317 E318 | N310-A314 WeakPolarHBondContact O-CB 3.29Å; N310-A314 PolarHBondContact O-N 3.12Å; N310-A314 VanDerWaalsContact O-N 3.1Å; K311-A314 PolarHBondContact O-N 2.87Å; E312-A314 PolarHBondContact O-N 3.46Å; A314-L317 WeakPolarHBondContact O-CB 3.33Å; A314-L317 PolarHBondContact O-N 2.84Å; A314-E318 PolarHBondContact O-N 2.94Å; A314-E318 VanDerWaalsContact O-N 3.12Å |
| 315 | Q | 91.5 | Very high | 90.1 | Very high | 120 Ų | 120 | 106.7 Ų | 106.7 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.2 | -46.5 | 175.9 | -70.6 | 171.4 | 4.5 | 0 | 0 | 111.8 | K311 E312 L317 E318 D319 | K311-Q315 WeakPolarHBondContact O-CG 3.44Å; K311-Q315 PolarHBondContact O-N 2.64Å; E312-Q315 PolarHBondContact O-N 3.08Å; Q315-L317 VanDerWaalsContact C-N 3.25Å; Q315-L317 PolarHBondContact O-N 3.24Å; Q315-E318 PolarHBondContact O-N 2.91Å; Q315-D319 PolarHBondContact O-N 2.86Å |
| 316 | Q | 91.9 | Very high | 89.7 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 176.3 | -71.7 | 171.6 | 17.4 | 0 | 0 | 112.5 | E312 F313 L320 | E312-Q316 VanDerWaalsContact O-CG 3.32Å; E312-Q316 WeakPolarHBondContact O-CG 3.33Å; E312-Q316 PolarHBondContact O-N 2.82Å; F313-Q316 PolarHBondContact O-N 2.8Å; Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 VanDerWaalsContact O-CG 3.24Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.91Å |
| 317 | L | 92.8 | Very high | 88.6 | Confident | 77 Ų | 77 | 105.2 Ų | 105.2 | 40% | 0.403 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 174.7 | -176.8 | 64.8 | 0 | 0 | 0 | 112.3 | F313 A314 Q315 K321 | F313-L317 WeakPolarHBondContact O-CB 3.38Å; F313-L317 PolarHBondContact O-N 2.95Å; A314-L317 WeakPolarHBondContact O-CB 3.33Å; A314-L317 PolarHBondContact O-N 2.84Å; Q315-L317 VanDerWaalsContact C-N 3.25Å; Q315-L317 PolarHBondContact O-N 3.24Å; L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CD 3.14Å; L317-K321 WeakPolarHBondContact O-CG 3.37Å; L317-K321 PolarHBondContact O-N 2.72Å; L317-K321 VanDerWaalsContact O-N 3.13Å |
| 318 | E | 90.7 | Very high | 87.2 | Confident | 132 Ų | 132 | 105.4 Ų | 105.4 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70 | -47.4 | 174.4 | -70.6 | -179.1 | 167.5 | 0 | 0 | 111.4 | A314 Q315 L320 K321 E322 | A314-E318 PolarHBondContact O-N 2.94Å; A314-E318 VanDerWaalsContact O-N 3.12Å; Q315-E318 PolarHBondContact O-N 2.91Å; E318-L320 PolarHBondContact O-N 3.36Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.89Å; E318-K321 VanDerWaalsContact O-N 3.14Å; E318-E322 PolarHBondContact O-N 2.85Å |
| 319 | D | 91.7 | Very high | 85.6 | Confident | 99 Ų | 99 | 106.4 Ų | 106.4 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 175.9 | -74.2 | -28.2 | 0 | 0 | 0 | 111.6 | Q315 K321 E322 E323 | Q315-D319 PolarHBondContact O-N 2.86Å; D319-K321 VanDerWaalsContact C-N 3.33Å; D319-K321 PolarHBondContact O-N 2.88Å; D319-E322 CarbonylContact O-C 3.43Å; D319-E322 WeakPolarHBondContact O-CB 3.35Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.11Å; D319-E323 PolarHBondContact O-N 3.37Å |
| 320 | L | 90 | Very high | 83.8 | Confident | 96 Ų | 96 | 115 Ų | 115 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -34.5 | 177.3 | -73 | 171.9 | 0 | 0 | 0 | 112.7 | Q316 E318 E322 E323 L324 | Q316-L320 WeakPolarHBondContact O-CB 3.28Å; Q316-L320 VanDerWaalsContact O-CG 3.24Å; Q316-L320 WeakPolarHBondContact O-CG 3.41Å; Q316-L320 PolarHBondContact O-N 2.91Å; E318-L320 PolarHBondContact O-N 3.36Å; L320-E322 VanDerWaalsContact C-N 3.34Å; L320-E323 PolarHBondContact O-N 2.8Å; L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.83Å |
| 321 | K | 90.9 | Very high | 81.6 | Confident | 116 Ų | 116 | 112.1 Ų | 112.1 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.2 | -35.4 | 172.5 | -79.2 | 172.2 | 179.6 | -178.3 | 0 | 111.5 | L317 E318 D319 K325 | L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CB 3.28Å; L317-K321 WeakPolarHBondContact O-CD 3.14Å; L317-K321 WeakPolarHBondContact O-CG 3.37Å; L317-K321 PolarHBondContact O-N 2.72Å; L317-K321 VanDerWaalsContact O-N 3.13Å; E318-K321 WeakPolarHBondContact O-CB 3.46Å; E318-K321 PolarHBondContact O-N 2.89Å; E318-K321 VanDerWaalsContact O-N 3.14Å; D319-K321 VanDerWaalsContact C-N 3.33Å; D319-K321 PolarHBondContact O-N 2.88Å; K321-K325 WeakPolarHBondContact O-CB 3.31Å; K321-K325 VanDerWaalsContact O-CG 3.27Å; K321-K325 WeakPolarHBondContact O-CG 3.34Å; K321-K325 PolarHBondContact O-N 3.27Å |
| 322 | E | 89.4 | Confident | 79.3 | Confident | 102 Ų | 102 | 115.8 Ų | 115.8 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.8 | -42.9 | 172.2 | -73.1 | -154.4 | 177.3 | 0 | 0 | 112.8 | E318 D319 L320 L324 K325 K326 | E318-E322 PolarHBondContact O-N 2.85Å; D319-E322 CarbonylContact O-C 3.43Å; D319-E322 WeakPolarHBondContact O-CB 3.35Å; D319-E322 PolarHBondContact O-N 3.28Å; D319-E322 VanDerWaalsContact O-N 3.11Å; L320-E322 VanDerWaalsContact C-N 3.34Å; E322-L324 VanDerWaalsContact C-N 3.35Å; E322-K325 PolarHBondContact O-N 2.8Å; E322-K326 WeakPolarHBondContact O-CB 3.34Å; E322-K326 WeakPolarHBondContact O-CD 3.45Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.3Å; E322-K326 PolarHBondContact O-N 3.17Å; E322-K326 IonicContact OE2-NZ 3.75Å; E322-K326 PolarHBondContact OE2-NZ 3.33Å |
| 323 | E | 87.3 | Confident | 76.6 | Confident | 125 Ų | 125 | 115 Ų | 115 | 58% | 0.584 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.7 | -43.6 | 175.6 | -73.3 | -170.9 | 165.9 | 0 | 0 | 111.3 | D319 L320 K325 K326 A327 | D319-E323 PolarHBondContact O-N 3.37Å; L320-E323 PolarHBondContact O-N 2.8Å; E323-K325 PolarHBondContact O-N 3.4Å; E323-K326 PolarHBondContact O-N 3.27Å; E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.07Å |
| 324 | L | 83 | Confident | 74.4 | Confident | 104 Ų | 104 | 120.6 Ų | 120.6 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.9 | -38.4 | 173.4 | -76.2 | 169.6 | 0 | 0 | 0 | 112.4 | L320 E322 A327 K328 | L320-L324 WeakPolarHBondContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CG 3.24Å; L320-L324 PolarHBondContact O-N 2.83Å; E322-L324 VanDerWaalsContact C-N 3.35Å; L324-A327 PolarHBondContact O-N 2.86Å; L324-K328 VanDerWaalsContact O-CB 3.24Å; L324-K328 WeakPolarHBondContact O-CB 3.44Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.46Å; L324-K328 PolarHBondContact O-N 3.14Å |
| 325 | K | 83.7 | Confident | 72.2 | Confident | 148 Ų | 148 | 127.1 Ų | 127.1 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.2 | -40.5 | 173.7 | -77 | 171.1 | -178.7 | 177.4 | 0 | 112.2 | K321 E322 E323 I329 | K321-K325 WeakPolarHBondContact O-CB 3.31Å; K321-K325 VanDerWaalsContact O-CG 3.27Å; K321-K325 WeakPolarHBondContact O-CG 3.34Å; K321-K325 PolarHBondContact O-N 3.27Å; E322-K325 PolarHBondContact O-N 2.8Å; E323-K325 PolarHBondContact O-N 3.4Å; K325-I329 WeakPolarHBondContact O-CD1 3.42Å; K325-I329 WeakPolarHBondContact O-CG1 3.34Å |
| 326 | K | 79.8 | Confident | 69.7 | Low | 128 Ų | 128 | 129.3 Ų | 129.3 | 56% | 0.557 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.4 | -40.8 | 176.3 | -70.9 | 157.7 | -172 | 156.3 | 0 | 110.9 | E322 E323 | E322-K326 WeakPolarHBondContact O-CB 3.34Å; E322-K326 WeakPolarHBondContact O-CD 3.45Å; E322-K326 VanDerWaalsContact O-CG 3.27Å; E322-K326 WeakPolarHBondContact O-CG 3.3Å; E322-K326 PolarHBondContact O-N 3.17Å; E322-K326 IonicContact OE2-NZ 3.75Å; E322-K326 PolarHBondContact OE2-NZ 3.33Å; E323-K326 PolarHBondContact O-N 3.27Å |
| 327 | A | 67.9 | Low | 67.3 | Low | 69 Ų | 69 | 130.6 Ų | 130.6 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73.3 | -36 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E323 L324 I329 E330 | E323-A327 WeakPolarHBondContact O-CB 3.34Å; E323-A327 PolarHBondContact O-N 3.07Å; L324-A327 PolarHBondContact O-N 2.86Å; A327-I329 PolarHBondContact O-N 2.99Å; A327-I329 VanDerWaalsContact O-N 3.12Å; A327-E330 PolarHBondContact O-N 2.92Å |
| 328 | K | 61 | Low | 64.9 | Low | 136 Ų | 136 | 135.1 Ų | 135.1 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 1.7 | 177.9 | -76.6 | -177.1 | 175.3 | -168.4 | 0 | 114.1 | L324 E336 | L324-K328 VanDerWaalsContact O-CB 3.24Å; L324-K328 WeakPolarHBondContact O-CB 3.44Å; L324-K328 VanDerWaalsContact O-CG 3.25Å; L324-K328 WeakPolarHBondContact O-CG 3.46Å; L324-K328 PolarHBondContact O-N 3.14Å; K328-E336 IonicContact NZ-OE2 3.24Å; K328-E336 PolarHBondContact NZ-OE2 3.05Å |
| 329 | I | 55.2 | Low | 62.3 | Low | 143 Ų | 143 | 137.5 Ų | 137.5 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -13.5 | 177.8 | -70.6 | 168 | 0 | 0 | 0 | 113 | K325 A327 | K325-I329 WeakPolarHBondContact O-CD1 3.42Å; K325-I329 WeakPolarHBondContact O-CG1 3.34Å; A327-I329 PolarHBondContact O-N 2.99Å; A327-I329 VanDerWaalsContact O-N 3.12Å |
| 330 | E | 54 | Low | 59.7 | Low | 195 Ų | 195 | 136.8 Ų | 136.8 | 91% | 0.911 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -109 | 11.5 | 177 | -64.2 | -169.1 | 158.6 | 0 | 0 | 114 | A327 | A327-E330 PolarHBondContact O-N 2.92Š|
| 331 | G | 43.2 | Very low | 57.4 | Low | 51 Ų | 51 | 140 Ų | 140 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -142.4 | 130.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 332 | E | 43 | Very low | 55.1 | Low | 197 Ų | 197 | 143.3 Ų | 143.3 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | trans | -66.8 | 128.6 | -167.8 | -62.6 | 174.1 | 132 | 0 | 0 | 114.6 | ||||
| 333 | A | 35.7 | Very low | 52.6 | Low | 86 Ų | 86 | 145.9 Ų | 145.9 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | trans | 28.6 | 111.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 334 | R | 47.3 | Very low | 50.5 | Low | 254 Ų | 254 | 143.6 Ų | 143.6 | 96% | 0.958 | 75% | 0.747 | S | S | * | * | -161 | 146.2 | 122.8 | -99.9 | 145.3 | -159.6 | -149.8 | 4 | 111.3 | |||||
| 335 | E | 46.7 | Very low | 48.1 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -79.8 | 145.1 | -170.9 | -65 | 160.1 | 127.9 | 0 | 0 | 112.4 | ||||
| 336 | E | 39.3 | Very low | 45.7 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -121.5 | 119.3 | 159.8 | -69.7 | 171 | 137.3 | 0 | 0 | 105.9 | K328 | K328-E336 IonicContact NZ-OE2 3.24Å; K328-E336 PolarHBondContact NZ-OE2 3.05Å | ||
| 337 | T | 41.2 | Very low | 43.6 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -117.4 | 125.1 | 173.8 | -51.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 338 | E | 41 | Very low | 42.1 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -91.1 | 166.8 | -176.3 | -62.2 | 177.7 | 131.7 | 0 | 0 | 112.5 | ||||
| 339 | E | 37.9 | Very low | 41.1 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 86.5 | 116.5 | 155.3 | -53.2 | -144.1 | 146.1 | 0 | 0 | 121.5 | ||||
| 340 | A | 36.9 | Very low | 40.1 | Very low | 83 Ų | 83 | 146.9 Ų | 146.9 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | 99.8 | 136.2 | 125.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 341 | D | 40.8 | Very low | 39.2 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | 81.9 | 145.4 | 153.7 | -61.2 | -14.1 | 0 | 0 | 0 | 122 | ||||
| 342 | E | 42.6 | Very low | 38.9 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -87.5 | 159.7 | -157.9 | -53.3 | 177.2 | 148.7 | 0 | 0 | 113 | ||||
| 343 | N | 36.7 | Very low | 38.4 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | 135.6 | 141.8 | 122.1 | -155.9 | -0.2 | 0 | 0 | 0 | 115.2 | |||||
| 344 | A | 42.9 | Very low | 38.6 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | 59.7 | 98.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 345 | K | 34.3 | Very low | 38 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | 77.4 | 91.4 | 111.5 | -163.8 | 177.9 | -179.4 | -178.4 | 0 | 120.4 | |||||
| 346 | A | 33.4 | Very low | 37.9 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | 64.4 | 127.1 | 122.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 347 | A | 35.5 | Very low | 37.8 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 73.7 | 145.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 348 | S | 36.4 | Very low | 37.9 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | cis | -177.4 | 155.9 | -19.5 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 349 | V | 38.8 | Very low | 38.2 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 71.4 | 99.5 | 155.3 | 167.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 350 | E | 34.9 | Very low | 38.6 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | 90.5 | 132.8 | 96.2 | -73.4 | -79.9 | 169.1 | 0 | 0 | 113.3 | |||||
| 351 | G | 33.9 | Very low | 39.7 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 154.7 | 134.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 352 | E | 37.1 | Very low | 40.7 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 73.9 | 88.3 | 163.3 | -54.4 | -172.2 | 170.4 | 0 | 0 | 116.6 | ||||
| 353 | A | 34.2 | Very low | 41.6 | Very low | 90 Ų | 90 | 128.7 Ų | 128.7 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | 69.6 | 117.7 | 68.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 354 | N | 38.3 | Very low | 43.3 | Very low | 176 Ų | 176 | 130.4 Ų | 130.4 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | trans | -156.2 | 143.9 | 136.4 | -105.3 | -53.4 | 0 | 0 | 0 | 111.3 | ||||
| 355 | A | 34.6 | Very low | 45.2 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | trans | -87.3 | 159.2 | -170 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 356 | N | 44.7 | Very low | 47.2 | Very low | 167 Ų | 167 | 124.6 Ų | 124.6 | 89% | 0.893 | 75% | 0.752 | S | S | * | * | -158.4 | 122.1 | 129 | -98.5 | -32.1 | 0 | 0 | 0 | 110.9 | |||||
| 357 | E | 38.8 | Very low | 49.5 | Very low | 194 Ų | 194 | 127.3 Ų | 127.3 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -69.4 | 137.1 | 167.8 | -57.5 | 169.8 | 107.9 | 0 | 0 | 109.9 | ||||
| 358 | A | 42.8 | Very low | 51.5 | Low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -168.6 | 118.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | S | 47.1 | Very low | 53.4 | Low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 59 | 89.7 | 161.4 | 65.9 | 0 | 0 | 0 | 0 | 118.1 | K361 | S359-K361 VanDerWaalsContact C-N 3.31Å; S359-K361 PolarHBondContact O-N 2.85Å | ||
| 360 | A | 46.4 | Very low | 55.2 | Low | 113 Ų | 113 | 129.1 Ų | 129.1 | 93% | 0.934 | 72% | 0.72 | S | S | * | * | trans | -64.9 | 89.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 361 | K | 58.7 | Low | 56.7 | Low | 173 Ų | 173 | 127.2 Ų | 127.2 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | -108.4 | 129 | 155.9 | -69.6 | 176 | -177.8 | 171.1 | 0 | 106.8 | S359 C363 | S359-K361 VanDerWaalsContact C-N 3.31Å; S359-K361 PolarHBondContact O-N 2.85Å; K361-C363 PolarHBondContact O-N 3.48Å | ||
| 362 | P | 63.1 | Low | 58.2 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 71% | 0.707 | S | S | * | * | trans | -62 | 116.9 | 176.8 | 25.6 | -32.6 | 0 | 0 | 0 | 108.8 | F364 | P362-F364 PolarHBondContact O-N 2.91Å; P362-F364 VanDerWaalsContact O-N 3.1Å | ||
| 363 | C | 60.3 | Low | 59.9 | Low | 100 Ų | 100 | 125.3 Ų | 125.3 | 68% | 0.676 | 68% | 0.682 | S | S | * | * | trans | -61.2 | 113 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | K361 D366 | K361-C363 PolarHBondContact O-N 3.48Å; C363-D366 PolarHBondContact SG-OD1 3.15Å | ||
| 364 | F | 72.2 | Confident | 61.5 | Low | 191 Ų | 191 | 126.5 Ų | 126.5 | 84% | 0.838 | 68% | 0.676 | S | S | * | * | trans | -107.3 | 107.5 | 178.8 | 177 | -94.4 | 0 | 0 | 0 | 108.9 | P362 | P362-F364 PolarHBondContact O-N 2.91Å; P362-F364 VanDerWaalsContact O-N 3.1Å | ||
| 365 | Y | 83.1 | Confident | 62.9 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 38% | 0.384 | 65% | 0.652 | S | S | . | * | trans | 43.1 | 75.1 | 170.3 | -158.3 | -104.4 | 0 | 0 | 0 | 116.2 | K367 D373 | Y365-K367 HydrophobicContact CD1-CG 4.26Å; Y365-K367 HydrophobicContact CE1-CG 4.28Å; Y365-K367 PolarHBondContact O-N 3.38Å; Y365-K367 VanDerWaalsContact O-N 3.17Å; Y365-D373 VanDerWaalsContact CE1-CG 3.5Å; Y365-D373 WeakPolarHBondContact CE1-OD1 3.11Å; Y365-D373 VanDerWaalsContact CE1-OD2 3.28Å; Y365-D373 WeakPolarHBondContact CE1-OD2 3.36Å; Y365-D373 PolarHBondContact OH-N 3.09Å; Y365-D373 PolarHBondContact OH-OD1 2.63Å | ||
| 366 | D | 77.4 | Confident | 64.1 | Low | 57 Ų | 57 | 121.9 Ų | 121.9 | 31% | 0.305 | 65% | 0.645 | S | S | . | * | trans | -68.7 | 105.6 | 168.8 | -81.3 | 4.1 | 0 | 0 | 0 | 109.9 | C363 E368 K369 S370 | C363-D366 PolarHBondContact SG-OD1 3.15Å; D366-E368 PolarHBondContact O-N 2.89Å; D366-K369 HydrophobicContact CB-CB 3.97Å; D366-K369 HydrophobicContact CB-CD 4.27Å; D366-K369 HydrophobicContact CB-CG 4.21Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.09Å; D366-K369 WeakPolarHBondContact OD2-CD 3.41Å; D366-K369 WeakPolarHBondContact OD2-CE 3.47Å; D366-K369 IonicContact OD2-NZ 2.64Å; D366-K369 PolarHBondContact OD2-NZ 3.06Å; D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 2.89Å; D366-S370 PolarHBondContact O-OG 2.83Å | ||
| 367 | K | 81.5 | Confident | 64.5 | Low | 147 Ų | 147 | 119.1 Ų | 119.1 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -35.3 | -178.2 | -59.8 | -163.6 | 179.1 | -175.1 | 0 | 114.3 | Y365 K369 D373 | Y365-K367 HydrophobicContact CD1-CG 4.26Å; Y365-K367 HydrophobicContact CE1-CG 4.28Å; Y365-K367 PolarHBondContact O-N 3.38Å; Y365-K367 VanDerWaalsContact O-N 3.17Å; K367-K369 VanDerWaalsContact C-N 3.33Å; K367-D373 VanDerWaalsContact CA-OD2 3.27Å; K367-D373 WeakPolarHBondContact CA-OD2 3.46Å; K367-D373 WeakPolarHBondContact CB-OD2 3.37Å; K367-D373 WeakPolarHBondContact CG-OD2 3.39Å |
| 368 | E | 78.2 | Confident | 65.2 | Low | 176 Ų | 176 | 117.4 Ų | 117.4 | 82% | 0.822 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -18.3 | -177.9 | -62.4 | 173.3 | 175.9 | 0 | 0 | 113 | D366 | D366-E368 PolarHBondContact O-N 2.89Š|
| 369 | K | 75.8 | Confident | 65.7 | Low | 160 Ų | 160 | 116 Ų | 116 | 70% | 0.696 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -15.6 | -175.8 | -53.8 | -179.9 | -160.8 | 144 | 0 | 113.6 | D366 K367 F371 | D366-K369 HydrophobicContact CB-CB 3.97Å; D366-K369 HydrophobicContact CB-CD 4.27Å; D366-K369 HydrophobicContact CB-CG 4.21Å; D366-K369 PolarHBondContact O-N 3Å; D366-K369 VanDerWaalsContact O-N 3.09Å; D366-K369 WeakPolarHBondContact OD2-CD 3.41Å; D366-K369 WeakPolarHBondContact OD2-CE 3.47Å; D366-K369 IonicContact OD2-NZ 2.64Å; D366-K369 PolarHBondContact OD2-NZ 3.06Å; K367-K369 VanDerWaalsContact C-N 3.33Å; K369-F371 PolarHBondContact O-N 3.35Å |
| 370 | S | 75.4 | Confident | 66 | Low | 25 Ų | 25 | 114.1 Ų | 114.1 | 18% | 0.175 | 62% | 0.616 | C | S | . | * | trans | -78.4 | 119.9 | -176.6 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | D366 F372 D373 | D366-S370 WeakPolarHBondContact O-CB 3.43Å; D366-S370 PolarHBondContact O-N 2.89Å; D366-S370 PolarHBondContact O-OG 2.83Å; S370-F372 PolarHBondContact O-N 2.73Å; S370-D373 PolarHBondContact O-N 3.12Å; S370-D373 VanDerWaalsContact O-N 3.12Å | ||
| 371 | F | 67.8 | Low | 66.3 | Low | 146 Ų | 146 | 113.7 Ų | 113.7 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -44.5 | -36.3 | 176 | -179.7 | -112 | 0 | 0 | 0 | 113.6 | K369 I375 | K369-F371 PolarHBondContact O-N 3.35Å; F371-I375 HydrophobicContact CD1-CD1 3.59Å; F371-I375 HydrophobicContact CD2-CD1 4.2Å; F371-I375 HydrophobicContact CE1-CD1 3.37Å; F371-I375 HydrophobicContact CE2-CD1 4Å; F371-I375 HydrophobicContact CG-CD1 4.01Å; F371-I375 HydrophobicContact CZ-CD1 3.6Å; F371-I375 VanDerWaalsContact O-CD1 3.3Å; F371-I375 WeakPolarHBondContact O-CD1 3.42Å; F371-I375 VanDerWaalsContact O-CG1 3.25Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å; F371-I375 PolarHBondContact O-N 2.91Å |
| 372 | F | 64.8 | Low | 66 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -84.7 | -9.8 | -173.8 | -65.4 | -76.8 | 0 | 0 | 0 | 116.4 | S370 I375 | S370-F372 PolarHBondContact O-N 2.73Å; F372-I375 HydrophobicContact CD1-CD1 4.39Å |
| 373 | D | 73.4 | Confident | 65.5 | Low | 70 Ų | 70 | 110.9 Ų | 110.9 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -88.2 | -34 | 171.4 | -100.3 | 5.1 | 0 | 0 | 0 | 111.6 | Y365 K367 S370 I375 | Y365-D373 VanDerWaalsContact CE1-CG 3.5Å; Y365-D373 WeakPolarHBondContact CE1-OD1 3.11Å; Y365-D373 VanDerWaalsContact CE1-OD2 3.28Å; Y365-D373 WeakPolarHBondContact CE1-OD2 3.36Å; Y365-D373 PolarHBondContact OH-N 3.09Å; Y365-D373 PolarHBondContact OH-OD1 2.63Å; K367-D373 VanDerWaalsContact CA-OD2 3.27Å; K367-D373 WeakPolarHBondContact CA-OD2 3.46Å; K367-D373 WeakPolarHBondContact CB-OD2 3.37Å; K367-D373 WeakPolarHBondContact CG-OD2 3.39Å; S370-D373 PolarHBondContact O-N 3.12Å; S370-D373 VanDerWaalsContact O-N 3.12Å; D373-I375 VanDerWaalsContact C-N 3.32Å |
| 374 | N | 67.5 | Low | 65.2 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 61% | 0.61 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.9 | -19.5 | 177.1 | -68.3 | -30.6 | 0 | 0 | 0 | 112.8 | S376 | N374-S376 PolarHBondContact O-N 3.05Å; N374-S376 VanDerWaalsContact O-N 3.12Å |
| 375 | I | 67 | Low | 64.3 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -77.5 | 96.4 | 168 | -65.3 | 163.9 | 0 | 0 | 0 | 107.3 | F371 F372 D373 C377 | F371-I375 HydrophobicContact CD1-CD1 3.59Å; F371-I375 HydrophobicContact CD2-CD1 4.2Å; F371-I375 HydrophobicContact CE1-CD1 3.37Å; F371-I375 HydrophobicContact CE2-CD1 4Å; F371-I375 HydrophobicContact CG-CD1 4.01Å; F371-I375 HydrophobicContact CZ-CD1 3.6Å; F371-I375 VanDerWaalsContact O-CD1 3.3Å; F371-I375 WeakPolarHBondContact O-CD1 3.42Å; F371-I375 VanDerWaalsContact O-CG1 3.25Å; F371-I375 WeakPolarHBondContact O-CG1 3.43Å; F371-I375 PolarHBondContact O-N 2.91Å; F372-I375 HydrophobicContact CD1-CD1 4.39Å; D373-I375 VanDerWaalsContact C-N 3.32Å; I375-C377 PolarHBondContact O-N 3.27Å; I375-C377 VanDerWaalsContact O-N 3.15Å |
| 376 | S | 59.6 | Low | 62.9 | Low | 77 Ų | 77 | 105.1 Ų | 105.1 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | trans | -52.3 | 121.1 | -178.3 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | N374 D378 | N374-S376 PolarHBondContact O-N 3.05Å; N374-S376 VanDerWaalsContact O-N 3.12Å; S376-D378 PolarHBondContact O-N 2.9Å | ||
| 377 | C | 54.5 | Low | 61.9 | Low | 109 Ų | 109 | 109.8 Ų | 109.8 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -53.6 | 130 | 164.9 | -82.8 | 0 | 0 | 0 | 0 | 109.1 | I375 G379 S380 | I375-C377 PolarHBondContact O-N 3.27Å; I375-C377 VanDerWaalsContact O-N 3.15Å; C377-G379 PolarHBondContact O-N 2.95Å; C377-S380 PolarHBondContact O-N 3.14Å | ||
| 378 | D | 51.7 | Low | 60.8 | Low | 157 Ų | 157 | 112.4 Ų | 112.4 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 45.8 | -168.5 | -157.4 | 3 | 0 | 0 | 0 | 114 | S376 | S376-D378 PolarHBondContact O-N 2.9Š|
| 379 | G | 55.1 | Low | 60.3 | Low | 62 Ų | 62 | 109.5 Ų | 109.5 | 64% | 0.639 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.5 | -7.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | C377 | C377-G379 PolarHBondContact O-N 2.95Š|
| 380 | S | 51.6 | Low | 60 | Low | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -101.2 | -10.9 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | C377 T382 T383 | C377-S380 PolarHBondContact O-N 3.14Å; S380-T382 PolarHBondContact O-N 2.73Å; S380-T383 PolarHBondContact O-N 3.14Å; S380-T383 VanDerWaalsContact O-N 3.17Å; S380-T383 PolarHBondContact O-OG1 2.64Å |
| 381 | E | 54.3 | Low | 60 | Low | 104 Ų | 104 | 113 Ų | 113 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -13 | -178.3 | -62.1 | -170.2 | 155.8 | 0 | 0 | 114.8 | T383 | E381-T383 VanDerWaalsContact C-N 3.31Å; E381-T383 PolarHBondContact O-N 3.2Å |
| 382 | T | 52.3 | Low | 60.6 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 74% | 0.736 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18 | 177.2 | 46 | 0 | 0 | 0 | 0 | 114.2 | S380 | S380-T382 PolarHBondContact O-N 2.73Š|
| 383 | T | 51.6 | Low | 61.4 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -20.5 | 179.2 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | S380 E381 | S380-T383 PolarHBondContact O-N 3.14Å; S380-T383 VanDerWaalsContact O-N 3.17Å; S380-T383 PolarHBondContact O-OG1 2.64Å; E381-T383 VanDerWaalsContact C-N 3.31Å; E381-T383 PolarHBondContact O-N 3.2Å |
| 384 | T | 55.1 | Low | 61.8 | Low | 108 Ų | 108 | 109.8 Ų | 109.8 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -111 | 19.4 | -166.4 | -20.8 | 0 | 0 | 0 | 0 | 113.9 | A386 | T384-A386 PolarHBondContact O-N 3.03Š|
| 385 | G | 53.1 | Low | 62.5 | Low | 82 Ų | 82 | 112.4 Ų | 112.4 | 85% | 0.845 | 63% | 0.625 | S | S | * | * | trans | 63.6 | -4.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 386 | A | 53.5 | Low | 63.3 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 65% | 0.645 | 63% | 0.628 | S | S | * | * | trans | -96.8 | 123.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.3 | T384 R388 | T384-A386 PolarHBondContact O-N 3.03Å; A386-R388 PolarHBondContact O-N 2.92Å | ||
| 387 | N | 57.3 | Low | 64.5 | Low | 155 Ų | 155 | 114.3 Ų | 114.3 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | trans | 66 | 23.9 | 151.1 | -141 | 14.9 | 0 | 0 | 0 | 120.6 | M389 | N387-M389 PolarHBondContact O-N 3.42Š| ||
| 388 | R | 57.3 | Low | 65.7 | Low | 202 Ų | 202 | 112.2 Ų | 112.2 | 76% | 0.762 | 61% | 0.607 | S | S | * | * | trans | -73.6 | 101.6 | 145.2 | -71.7 | -163.5 | -177.9 | -164.5 | 0.5 | 108.4 | A386 N390 | A386-R388 PolarHBondContact O-N 2.92Å; R388-N390 PolarHBondContact O-N 3.46Å; R388-N390 VanDerWaalsContact O-N 3.14Å | ||
| 389 | M | 68 | Low | 67.2 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 56% | 0.562 | 59% | 0.589 | S | S | * | * | trans | -51.7 | 123.9 | 176.5 | 60.6 | 174 | 65.3 | 0 | 0 | 109.8 | N387 E394 | N387-M389 PolarHBondContact O-N 3.42Å; M389-E394 HydrophobicContact CG-CB 4.44Å; M389-E394 HydrophobicContact SD-CB 4.06Å; M389-E394 HydrophobicContact SD-CG 3.83Å | ||
| 390 | N | 68.7 | Low | 68.5 | Low | 102 Ų | 102 | 112.7 Ų | 112.7 | 55% | 0.545 | 59% | 0.59 | S | S | . | * | trans | -69.4 | 143.8 | -173.2 | -160.5 | -24.9 | 0 | 0 | 0 | 108.4 | R388 K392 T393 E394 | R388-N390 PolarHBondContact O-N 3.46Å; R388-N390 VanDerWaalsContact O-N 3.14Å; N390-K392 CarbonylContact O-C 3.6Å; N390-K392 PolarHBondContact O-N 3.17Å; N390-T393 HydrophobicContact CB-CG2 4.43Å; N390-T393 PolarHBondContact N-OG1 2.78Å; N390-T393 VanDerWaalsContact N-OG1 3.14Å; N390-T393 PolarHBondContact O-N 3.35Å; N390-T393 PolarHBondContact O-OG1 3.04Å; N390-E394 PolarHBondContact O-N 3.29Å | ||
| 391 | Y | 75.6 | Confident | 69.9 | Low | 158 Ų | 158 | 114.4 Ų | 114.4 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -55 | -25 | -175.5 | 86.9 | -84.8 | 0 | 0 | 0 | 112.9 | R395 | Y391-R395 VanDerWaalsContact O-CB 3.28Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.04Å; Y391-R395 VanDerWaalsContact O-N 3.07Å |
| 392 | K | 80.7 | Confident | 71.1 | Confident | 136 Ų | 136 | 117.2 Ų | 117.2 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.8 | -46.9 | 174.1 | -169.2 | -172.9 | 175 | -163.8 | 0 | 112.1 | N390 R395 E396 | N390-K392 CarbonylContact O-C 3.6Å; N390-K392 PolarHBondContact O-N 3.17Å; K392-R395 PolarHBondContact O-N 2.89Å; K392-E396 WeakPolarHBondContact O-CB 3.46Å; K392-E396 PolarHBondContact O-N 2.94Å |
| 393 | T | 82.5 | Confident | 72.2 | Confident | 66 Ų | 66 | 113.1 Ų | 113.1 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.9 | -39.3 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 110.8 | N390 R395 E396 L397 | N390-T393 HydrophobicContact CB-CG2 4.43Å; N390-T393 PolarHBondContact N-OG1 2.78Å; N390-T393 VanDerWaalsContact N-OG1 3.14Å; N390-T393 PolarHBondContact O-N 3.35Å; N390-T393 PolarHBondContact O-OG1 3.04Å; T393-R395 PolarHBondContact O-N 2.72Å; T393-E396 PolarHBondContact O-N 3.12Å; T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å |
| 394 | E | 81.6 | Confident | 73.1 | Confident | 94 Ų | 94 | 113.5 Ų | 113.5 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 172.7 | -164.4 | -154.1 | 145.9 | 0 | 0 | 111.5 | M389 N390 E396 N398 | M389-E394 HydrophobicContact CG-CB 4.44Å; M389-E394 HydrophobicContact SD-CB 4.06Å; M389-E394 HydrophobicContact SD-CG 3.83Å; N390-E394 PolarHBondContact O-N 3.29Å; E394-E396 VanDerWaalsContact C-N 3.32Å; E394-E396 PolarHBondContact O-N 3.41Å; E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.3Å; E394-N398 VanDerWaalsContact O-CG 3.29Å; E394-N398 PolarHBondContact O-N 3.03Å; E394-N398 PolarHBondContact O-ND2 3.29Å; E394-N398 PolarHBondContact OE1-ND2 3.15Å |
| 395 | R | 82.7 | Confident | 73.6 | Confident | 170 Ų | 170 | 112.5 Ų | 112.5 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.9 | -37.6 | 174.7 | -178.9 | -178.8 | -65.7 | -165 | 1 | 112.4 | Y391 K392 T393 N398 H399 | Y391-R395 VanDerWaalsContact O-CB 3.28Å; Y391-R395 WeakPolarHBondContact O-CB 3.4Å; Y391-R395 PolarHBondContact O-N 3.04Å; Y391-R395 VanDerWaalsContact O-N 3.07Å; K392-R395 PolarHBondContact O-N 2.89Å; T393-R395 PolarHBondContact O-N 2.72Å; R395-N398 PolarHBondContact O-N 3.39Å; R395-H399 WeakPolarHBondContact O-CB 3.16Å; R395-H399 PolarHBondContact O-N 3.36Å |
| 396 | E | 83.3 | Confident | 73.9 | Confident | 108 Ų | 108 | 113.5 Ų | 113.5 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.6 | -45.4 | -179.6 | -169.6 | 144.4 | -152.1 | 0 | 0 | 111.3 | K392 T393 E394 N398 H399 I400 | K392-E396 WeakPolarHBondContact O-CB 3.46Å; K392-E396 PolarHBondContact O-N 2.94Å; T393-E396 PolarHBondContact O-N 3.12Å; E394-E396 VanDerWaalsContact C-N 3.32Å; E394-E396 PolarHBondContact O-N 3.41Å; E396-N398 PolarHBondContact O-N 3.41Å; E396-H399 WeakPolarHBondContact O-CB 3.42Å; E396-H399 PolarHBondContact O-N 3.12Å; E396-I400 HydrophobicContact CG-CD1 4.27Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.43Å |
| 397 | L | 84.4 | Confident | 73.9 | Confident | 94 Ų | 94 | 113.4 Ų | 113.4 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -57.4 | -47.5 | 168.6 | -68.9 | 173.3 | 0 | 0 | 0 | 111.3 | T393 H399 I400 T401 | T393-L397 WeakPolarHBondContact O-CG 3.34Å; T393-L397 PolarHBondContact O-N 3.17Å; L397-H399 VanDerWaalsContact C-N 3.28Å; L397-H399 PolarHBondContact O-N 2.99Å; L397-I400 PolarHBondContact O-N 2.79Å; L397-I400 VanDerWaalsContact O-N 3.14Å; L397-T401 WeakPolarHBondContact O-CB 2.91Å; L397-T401 PolarHBondContact O-N 2.7Å; L397-T401 PolarHBondContact O-OG1 3.45Å |
| 398 | N | 80.4 | Confident | 73.7 | Confident | 65 Ų | 65 | 114.1 Ų | 114.1 | 35% | 0.348 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.2 | -35.5 | 176.7 | -81.7 | -56 | 0 | 0 | 0 | 113.2 | E394 R395 E396 F402 | E394-N398 VanDerWaalsContact O-CB 3.28Å; E394-N398 WeakPolarHBondContact O-CB 3.3Å; E394-N398 VanDerWaalsContact O-CG 3.29Å; E394-N398 PolarHBondContact O-N 3.03Å; E394-N398 PolarHBondContact O-ND2 3.29Å; E394-N398 PolarHBondContact OE1-ND2 3.15Å; R395-N398 PolarHBondContact O-N 3.39Å; E396-N398 PolarHBondContact O-N 3.41Å; N398-F402 HydrophobicContact CB-CD2 4.45Å; N398-F402 WeakPolarHBondContact O-CB 3.25Å; N398-F402 PolarHBondContact O-N 2.71Å; N398-F402 WeakPolarHBondContact OD1-CE2 3.4Å |
| 399 | H | 81.5 | Confident | 73.1 | Confident | 99 Ų | 99 | 111.6 Ų | 111.6 | 46% | 0.458 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.6 | -44.7 | 174.3 | 179 | -172 | 0 | 0 | 0 | 110.8 | R395 E396 L397 G403 I404 | R395-H399 WeakPolarHBondContact O-CB 3.16Å; R395-H399 PolarHBondContact O-N 3.36Å; E396-H399 WeakPolarHBondContact O-CB 3.42Å; E396-H399 PolarHBondContact O-N 3.12Å; L397-H399 VanDerWaalsContact C-N 3.28Å; L397-H399 PolarHBondContact O-N 2.99Å; H399-G403 CarbonylContact O-C 3.58Å; H399-G403 WeakPolarHBondContact O-CA 3.19Å; H399-G403 PolarHBondContact O-N 3.09Å; H399-I404 VanDerWaalsContact CD2-CG1 3.44Å; H399-I404 WeakPolarHBondContact CD2-CG1 3.12Å; H399-I404 WeakPolarHBondContact NE2-CG1 3.27Å |
| 400 | I | 84.2 | Confident | 71.9 | Confident | 130 Ų | 130 | 115.4 Ų | 115.4 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66 | -42.8 | 178.1 | -65.7 | 163.1 | 0 | 0 | 0 | 111.2 | E396 L397 | E396-I400 HydrophobicContact CG-CD1 4.27Å; E396-I400 WeakPolarHBondContact O-CG1 3.38Å; E396-I400 PolarHBondContact O-N 3.43Å; L397-I400 PolarHBondContact O-N 2.79Å; L397-I400 VanDerWaalsContact O-N 3.14Å |
| 401 | T | 79.1 | Confident | 70.7 | Confident | 95 Ų | 95 | 113.9 Ų | 113.9 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -79.3 | -40.8 | -175.4 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | L397 | L397-T401 WeakPolarHBondContact O-CB 2.91Å; L397-T401 PolarHBondContact O-N 2.7Å; L397-T401 PolarHBondContact O-OG1 3.45Å |
| 402 | F | 80.4 | Confident | 69 | Low | 164 Ų | 164 | 109.2 Ų | 109.2 | 72% | 0.719 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -112.7 | 0.5 | -173.2 | -57.7 | -70.6 | 0 | 0 | 0 | 114.1 | N398 | N398-F402 HydrophobicContact CB-CD2 4.45Å; N398-F402 WeakPolarHBondContact O-CB 3.25Å; N398-F402 PolarHBondContact O-N 2.71Å; N398-F402 WeakPolarHBondContact OD1-CE2 3.4Å |
| 403 | G | 75 | Confident | 67.3 | Low | 34 Ų | 34 | 115 Ų | 115 | 35% | 0.351 | 62% | 0.618 | S | S | . | * | trans | 72.3 | 175 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H399 P405 | H399-G403 CarbonylContact O-C 3.58Å; H399-G403 WeakPolarHBondContact O-CA 3.19Å; H399-G403 PolarHBondContact O-N 3.09Å; G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.28Å | ||
| 404 | I | 71.2 | Confident | 65.6 | Low | 130 Ų | 130 | 122.3 Ų | 122.3 | 67% | 0.667 | 64% | 0.638 | S | S | * | * | trans | -67.1 | 120.6 | 172 | -56.6 | 176.2 | 0 | 0 | 0 | 108.4 | H399 A406 | H399-I404 VanDerWaalsContact CD2-CG1 3.44Å; H399-I404 WeakPolarHBondContact CD2-CG1 3.12Å; H399-I404 WeakPolarHBondContact NE2-CG1 3.27Å; I404-A406 PolarHBondContact O-N 3.21Å | ||
| 405 | P | 66.3 | Low | 63.8 | Low | 86 Ų | 86 | 124.4 Ų | 124.4 | 56% | 0.558 | 65% | 0.65 | S | S | * | * | trans | -69.4 | 96.2 | 174.7 | 28.3 | -34.1 | 0 | 0 | 0 | 109.9 | G403 G407 R408 | G403-P405 VanDerWaalsContact O-CD 3.28Å; G403-P405 WeakPolarHBondContact O-CD 3.28Å; P405-G407 PolarHBondContact O-N 2.73Å; P405-G407 VanDerWaalsContact O-N 3.12Å; P405-R408 PolarHBondContact O-N 2.59Å | ||
| 406 | A | 58.1 | Low | 62.1 | Low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.9 | 119.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I404 | I404-A406 PolarHBondContact O-N 3.21Š|
| 407 | G | 54.8 | Low | 60 | Low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.5 | -4.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | P405 N409 | P405-G407 PolarHBondContact O-N 2.73Å; P405-G407 VanDerWaalsContact O-N 3.12Å; G407-N409 PolarHBondContact O-N 3.17Å |
| 408 | R | 52.8 | Low | 58.1 | Low | 170 Ų | 170 | 131.7 Ų | 131.7 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | trans | -91.3 | 69.1 | 170.6 | -64 | -158.9 | -158.7 | -177.4 | 15.2 | 113 | P405 Y410 | P405-R408 PolarHBondContact O-N 2.59Å; R408-Y410 HydrophobicContact CB-CD2 3.89Å; R408-Y410 HydrophobicContact CB-CE2 3.8Å; R408-Y410 HydrophobicContact CG-CE2 4.28Å; R408-Y410 PolarHBondContact NH1-OH 3.1Å; R408-Y410 PolarHBondContact O-N 3.46Å | ||
| 409 | N | 43.4 | Very low | 56.2 | Low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | -65 | 83.4 | 161 | -78.5 | -8 | 0 | 0 | 0 | 109.9 | G407 G411 | G407-N409 PolarHBondContact O-N 3.17Å; N409-G411 PolarHBondContact O-N 3.07Å | ||
| 410 | Y | 44.1 | Very low | 54.6 | Low | 195 Ų | 195 | 136.9 Ų | 136.9 | 77% | 0.765 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -69.8 | 65.2 | 165.9 | -80.7 | -82.3 | 0 | 0 | 0 | 110 | R408 | R408-Y410 HydrophobicContact CB-CD2 3.89Å; R408-Y410 HydrophobicContact CB-CE2 3.8Å; R408-Y410 HydrophobicContact CG-CE2 4.28Å; R408-Y410 PolarHBondContact NH1-OH 3.1Å; R408-Y410 PolarHBondContact O-N 3.46Å |
| 411 | G | 42.8 | Very low | 52.7 | Low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 164.7 | 64.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.7 | N409 | N409-G411 PolarHBondContact O-N 3.07Š|
| 412 | G | 40.5 | Very low | 50.9 | Low | 60 Ų | 60 | 136.2 Ų | 136.2 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | -162 | -19.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | R414 | G412-R414 PolarHBondContact O-N 2.9Š| ||
| 413 | R | 45 | Very low | 49.1 | Very low | 258 Ų | 258 | 136.2 Ų | 136.2 | 97% | 0.974 | 72% | 0.722 | S | S | * | * | trans | -80.9 | 58.4 | -179.6 | -73.1 | -101.6 | -94.3 | -111 | -6 | 112.7 | ||||
| 414 | R | 46.5 | Very low | 47.7 | Very low | 218 Ų | 218 | 146.7 Ų | 146.7 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | trans | -141.3 | 126.3 | 165.9 | -71.1 | -173.5 | 178 | 167.8 | 0.7 | 110 | G412 | G412-R414 PolarHBondContact O-N 2.9Š| ||
| 415 | M | 44.1 | Very low | 46.3 | Very low | 139 Ų | 139 | 144 Ų | 144 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 75.7 | 147.5 | 166.3 | -46.6 | -47 | 171.5 | 0 | 0 | 116.9 | ||||
| 416 | R | 46.1 | Very low | 45.1 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | cis | -172.4 | 147.6 | -33 | -120.3 | 173.6 | -178.2 | 141.5 | -5 | 108.2 | ||||
| 417 | A | 40.2 | Very low | 44.4 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 65% | 0.653 | 77% | 0.769 | S | S | * | * | trans | 64 | 111.9 | 144 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 418 | R | 42.7 | Very low | 43.8 | Very low | 244 Ų | 244 | 155.4 Ų | 155.4 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | 55.3 | 103.4 | 108.5 | -163.7 | -175.6 | -160.3 | 168.5 | 5.9 | 118.6 | |||||
| 419 | S | 41.9 | Very low | 43.3 | Very low | 108 Ų | 108 | 151.4 Ų | 151.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -148.9 | 106.3 | 146 | -167.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 420 | Q | 47.6 | Very low | 43 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | 78.9 | 128.2 | 82.3 | -109.4 | -178.5 | 6.8 | 0 | 0 | 113.7 | |||||
| 421 | T | 44.9 | Very low | 42.9 | Very low | 115 Ų | 115 | 148 Ų | 148 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 129.1 | 143.6 | -49.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 422 | T | 41.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 60% | 0.595 | 80% | 0.795 | S | S | * | * | cis | -168.8 | 173.3 | -3.7 | 23.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 423 | H | 42.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | 86.7 | 146.4 | 151.3 | -53.1 | -52.9 | 0 | 0 | 0 | 121.9 | ||||
| 424 | R | 44.4 | Very low | 42.5 | Very low | 253 Ų | 253 | 146.2 Ų | 146.2 | 96% | 0.955 | 80% | 0.795 | S | S | * | * | trans | 75.5 | 128 | 171.1 | -59.3 | 178.7 | 176.3 | 161.8 | -1.8 | 115.9 | ||||
| 425 | G | 43.1 | Very low | 42.4 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | cis | -166.2 | 166.1 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 426 | N | 40.4 | Very low | 42.2 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -66.2 | 155.1 | -175.3 | -58.9 | -20.1 | 0 | 0 | 0 | 113.1 | ||||
| 427 | N | 44.5 | Very low | 42.2 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -149.4 | 146.8 | 126.7 | -125.7 | -12.9 | 0 | 0 | 0 | 112.1 | |||||
| 428 | Q | 42.3 | Very low | 42.3 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -93.6 | 156.7 | -168.3 | -64.1 | 171.3 | -5.2 | 0 | 0 | 112.5 | ||||
| 429 | G | 41 | Very low | 42.3 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -164.9 | 96.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 430 | G | 38 | Very low | 42.4 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -134 | 149 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 431 | Q | 41 | Very low | 42.2 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 148.4 | 168.6 | -72.6 | -170.7 | -12.1 | 0 | 0 | 109.5 | ||||
| 432 | T | 37.1 | Very low | 42.5 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -139.4 | 124.9 | -164 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 433 | T | 42.8 | Very low | 42.8 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -168.6 | 165.9 | 161.2 | 45.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 434 | G | 39.4 | Very low | 42.8 | Very low | 64 Ų | 64 | 137.8 Ų | 137.8 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | cis | -103.5 | -151.4 | -24.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 435 | V | 45.4 | Very low | 42.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | cis | 73.5 | 116 | 7.2 | -166.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 436 | E | 40.5 | Very low | 43 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | cis | -161.1 | 156.1 | 21 | -147.4 | 148.1 | -159 | 0 | 0 | 115.6 | ||||
| 437 | Q | 46.2 | Very low | 43.5 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | 17.1 | 141.6 | 149.2 | -58.3 | 174.5 | 55.4 | 0 | 0 | 125.7 | ||||
| 438 | N | 41 | Very low | 43.8 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 77.3 | 114.6 | 132.5 | -80.5 | -31.5 | 0 | 0 | 0 | 124.9 | ||||
| 439 | A | 42.3 | Very low | 43.8 | Very low | 75 Ų | 75 | 130 Ų | 130 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | 82.6 | 108.4 | 115.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 440 | T | 45 | Very low | 44.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 80.9 | 149 | 133.8 | 65.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 441 | R | 43.8 | Very low | 45 | Very low | 227 Ų | 227 | 140.2 Ų | 140.2 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | 77.9 | 137.4 | 167.4 | -52.2 | -175.4 | -179.6 | -169.3 | -2.1 | 115.7 | ||||
| 442 | T | 50.2 | Low | 45.6 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -168.6 | 152.4 | -13.4 | 19.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 443 | N | 47.4 | Very low | 46.3 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 152.1 | 157.1 | -53.5 | -15.3 | 0 | 0 | 0 | 117.8 | ||||
| 444 | T | 44.1 | Very low | 46.9 | Very low | 106 Ų | 106 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -166 | 118.2 | -18.9 | -93.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 445 | F | 42.9 | Very low | 47.2 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 66.4 | 160.3 | 148.3 | -74.6 | -100.8 | 0 | 0 | 0 | 122.6 | ||||
| 446 | P | 48.1 | Very low | 47.5 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -120.5 | -167.1 | -146.4 | 49.8 | -38.7 | 0 | 0 | 0 | 114.2 | ||||
| 447 | P | 51.4 | Low | 48.1 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | -94.9 | 158.8 | -158.4 | 38.4 | -36.6 | 0 | 0 | 0 | 116.1 | ||||
| 448 | I | 49.1 | Very low | 48.5 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 92% | 0.923 | 78% | 0.778 | S | S | * | * | trans | -168.5 | 144.8 | 155.2 | -93.8 | 139.6 | 0 | 0 | 0 | 109.4 | ||||
| 449 | G | 43.9 | Very low | 49 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | 106.5 | 105.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 450 | R | 48.5 | Very low | 49.8 | Very low | 252 Ų | 252 | 139.4 Ų | 139.4 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | 43.6 | 148.8 | 141 | -65.1 | -174.5 | 177.7 | -132.9 | 0 | 122.7 | ||||
| 451 | P | 54 | Low | 50.8 | Low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -99 | 146.5 | -177.2 | 38.2 | -33.3 | 0 | 0 | 0 | 114.6 | ||||
| 452 | V | 53.7 | Low | 51.9 | Low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | -145.7 | 141.5 | 158 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 453 | V | 53.4 | Low | 51.9 | Low | 134 Ų | 134 | 137.1 Ų | 137.1 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -18.4 | 134.2 | 164.7 | -176.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 454 | S | 54 | Low | 52.2 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -90.9 | 123.9 | 161.8 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 455 | G | 46 | Very low | 52.6 | Low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | -146 | 133.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 456 | A | 52.5 | Low | 53.2 | Low | 109 Ų | 109 | 135.1 Ų | 135.1 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | trans | -173.6 | 147.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 457 | G | 53.4 | Low | 53.5 | Low | 60 Ų | 60 | 136.6 Ų | 136.6 | 62% | 0.619 | 84% | 0.841 | S | S | * | * | cis | -143.2 | 149.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 458 | D | 53 | Low | 53.7 | Low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | 91.3 | 111.2 | 95 | -73.6 | -31.8 | 0 | 0 | 0 | 114.5 | |||||
| 459 | L | 51.3 | Low | 54 | Low | 152 Ų | 152 | 134.9 Ų | 134.9 | 80% | 0.796 | 84% | 0.841 | S | S | * | * | trans | 63.7 | 108.9 | 141 | -54 | 170.1 | 0 | 0 | 0 | 119.7 | ||||
| 460 | Y | 59.9 | Low | 54.8 | Low | 235 Ų | 235 | 140.2 Ų | 140.2 | 92% | 0.922 | 85% | 0.853 | S | S | * | * | 178.8 | 139.7 | 111 | -108.1 | -91.1 | 0 | 0 | 0 | 109.4 | |||||
| 461 | G | 65.4 | Low | 55.3 | Low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 85% | 0.845 | S | S | * | * | trans | -93.8 | -155.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 462 | P | 67.1 | Low | 55.4 | Low | 209 Ų | 209 | 132 Ų | 132 | 100% | 1.357 | 85% | 0.851 | S | S | * | * | cis | -93 | 0 | -0.5 | 38.2 | -35.7 | 0 | 0 | 0 | 115 |
Retrieved 462 of 462 residues in 192.8 ms
(Link to these results)