| 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 | 32.6 | Very low | 64.7 | Low | 252 Ų | 252 | 76.3 Ų | 76.3 | 100% | 1.241 | 42% | 0.424 | S | S | * | . | 0 | 130.8 | 0 | -73.1 | 146.2 | 158.8 | 0 | 0 | 106.7 | |||||
| 2 | A | 28.3 | Very low | 67.2 | Low | 90 Ų | 90 | 72.1 Ų | 72.1 | 74% | 0.744 | 40% | 0.397 | S | S | * | . | trans | -124.7 | 147.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 3 | N | 35.8 | Very low | 69.3 | Low | 106 Ų | 106 | 66.7 Ų | 66.7 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | trans | -59.2 | 137.4 | -158.9 | -64.1 | 4.4 | 0 | 0 | 0 | 114 | D6 | N3-D6 WeakPolarHBondContact CB-OD1 3.49Å; N3-D6 PolarHBondContact ND2-OD1 2.64Å | ||
| 4 | T | 45.8 | Very low | 70.9 | Confident | 113 Ų | 113 | 62 Ų | 62 | 69% | 0.693 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -116.5 | 7.3 | 168.4 | 51.3 | 0 | 0 | 0 | 0 | 112 | ||
| 5 | D | 57.3 | Low | 72 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | trans | -111.9 | -13.4 | -171.6 | -66.5 | -26.7 | 0 | 0 | 0 | 114 | N7 K8 | D5-N7 PolarHBondContact O-N 3.45Å; D5-N7 VanDerWaalsContact O-N 3.08Å; D5-K8 HydrophobicContact CB-CD 4.32Å; D5-K8 WeakPolarHBondContact O-CB 3.29Å; D5-K8 PolarHBondContact O-N 3.47Å; D5-K8 WeakPolarHBondContact OD1-CE 3.43Å; D5-K8 IonicContact OD1-NZ 3.37Å; D5-K8 PolarHBondContact OD1-NZ 3.04Å | ||
| 6 | D | 63.9 | Low | 72.5 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.6 | 179.3 | -51.5 | -6.9 | 0 | 0 | 0 | 112.5 | N3 K8 | N3-D6 WeakPolarHBondContact CB-OD1 3.49Å; N3-D6 PolarHBondContact ND2-OD1 2.64Å; D6-K8 PolarHBondContact O-N 2.78Å |
| 7 | N | 76 | Confident | 73.1 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 26.5 | 179.1 | -60.6 | -29.6 | 0 | 0 | 0 | 113 | D5 Q746 L747 E749 | D5-N7 PolarHBondContact O-N 3.45Å; D5-N7 VanDerWaalsContact O-N 3.08Å; N7-Q746 PolarHBondContact O-NE2 3.18Å; N7-Q746 VanDerWaalsContact O-NE2 3.07Å; N7-L747 WeakPolarHBondContact O-CB 3.31Å; N7-L747 PolarHBondContact O-N 2.7Å; N7-E749 VanDerWaalsContact ND2-CG 3.32Å; N7-E749 WeakPolarHBondContact ND2-CG 3.47Å; N7-E749 PolarHBondContact ND2-OE1 3.08Å |
| 8 | K | 86.6 | Confident | 73.7 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.217 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 135.2 | -179.4 | -63.8 | 171.9 | -177.6 | 173.1 | 0 | 111.2 | D5 D6 M10 I745 | D5-K8 HydrophobicContact CB-CD 4.32Å; D5-K8 WeakPolarHBondContact O-CB 3.29Å; D5-K8 PolarHBondContact O-N 3.47Å; D5-K8 WeakPolarHBondContact OD1-CE 3.43Å; D5-K8 IonicContact OD1-NZ 3.37Å; D5-K8 PolarHBondContact OD1-NZ 3.04Å; D6-K8 PolarHBondContact O-N 2.78Å; K8-M10 HydrophobicContact CB-CG 4.48Å; K8-I745 WeakPolarHBondContact CA-O 3.4Å |
| 9 | L | 93.2 | Very high | 74.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.1 | 159.4 | -175.9 | 154.4 | 0 | 0 | 0 | 107.4 | L11 L25 V243 V269 C744 I745 L747 | L9-L11 HydrophobicContact CD2-CB 4.15Å; L9-L25 HydrophobicContact CD1-CD1 3.94Å; L9-L25 HydrophobicContact CD2-CD1 3.7Å; L9-L25 HydrophobicContact CG-CD1 3.58Å; L9-V243 HydrophobicContact CD1-CG1 4.25Å; L9-V243 HydrophobicContact CD1-CG2 3.59Å; L9-V269 HydrophobicContact CD1-CB 4.3Å; L9-V269 HydrophobicContact CD1-CG1 4.25Å; L9-V269 HydrophobicContact CD1-CG2 4.23Å; L9-C744 WeakPolarHBondContact O-CA 3.47Å; L9-I745 HydrophobicContact CB-CB 4.42Å; L9-I745 HydrophobicContact CD2-CD1 4.43Å; L9-I745 PolarHBondContact N-O 3.2Å; L9-I745 PolarHBondContact O-N 3.26Å; L9-L747 HydrophobicContact CB-CD1 4.13Å; L9-L747 HydrophobicContact CB-CD2 3.98Å; L9-L747 HydrophobicContact CB-CG 4.18Å |
| 10 | M | 94.8 | Very high | 75.1 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.5 | 172.7 | -61.9 | -165.4 | -63.5 | 0 | 0 | 109.4 | K8 L25 R26 Q742 L743 C744 | K8-M10 HydrophobicContact CB-CG 4.48Å; M10-L25 CarbonylContact O-C 3.58Å; M10-L25 WeakPolarHBondContact O-CA 3.26Å; M10-R26 HydrophobicContact CB-CB 4.48Å; M10-R26 PolarHBondContact N-O 3.49Å; M10-R26 PolarHBondContact O-N 2.93Å; M10-Q742 PolarHBondContact SD-NE2 2.7Å; M10-L743 WeakPolarHBondContact CA-O 3.5Å; M10-C744 HydrophobicContact CG-CB 4.42Å |
| 11 | L | 97 | Very high | 75.9 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 127.3 | 176.5 | -174.7 | 74.6 | 0 | 0 | 0 | 109.2 | L9 Y23 L24 L25 L34 I271 I708 I737 Q742 L743 | L9-L11 HydrophobicContact CD2-CB 4.15Å; L11-Y23 HydrophobicContact CD1-CD1 4.05Å; L11-Y23 HydrophobicContact CD1-CG 4.42Å; L11-Y23 HydrophobicContact CD2-CD1 4.03Å; L11-Y23 HydrophobicContact CD2-CE1 4.36Å; L11-Y23 HydrophobicContact CG-CD1 4.03Å; L11-L24 CarbonylContact C-O 3.59Å; L11-L24 WeakPolarHBondContact CA-O 3.44Å; L11-L25 HydrophobicContact CD1-CB 3.86Å; L11-L25 HydrophobicContact CD1-CD1 4.29Å; L11-L34 HydrophobicContact CD1-CD1 4.47Å; L11-I271 HydrophobicContact CD1-CD1 4.32Å; L11-I271 HydrophobicContact CD2-CD1 4.26Å; L11-I271 HydrophobicContact CD2-CG2 3.79Å; L11-I708 HydrophobicContact CD2-CD1 3.85Å; L11-I708 HydrophobicContact CD2-CG2 4.01Å; L11-I737 HydrophobicContact CB-CD1 4.37Å; L11-I737 HydrophobicContact CD2-CD1 3.93Å; L11-I737 HydrophobicContact CG-CD1 3.97Å; L11-I737 WeakPolarHBondContact O-CD1 3.44Å; L11-Q742 CarbonylContact O-C 3.54Å; L11-Q742 WeakPolarHBondContact O-CA 3.3Å; L11-L743 PolarHBondContact N-O 3.02Å; L11-L743 PolarHBondContact O-N 2.7Å |
| 12 | R | 95.5 | Very high | 78.8 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129 | 173.8 | -177.4 | 178.5 | 164.2 | -157 | -9.2 | 110.2 | L14 Y23 L24 E95 S98 H740 Q741 Q742 | R12-L14 HydrophobicContact CG-CD2 4.1Å; R12-Y23 CarbonylContact O-C 3.58Å; R12-Y23 WeakPolarHBondContact O-CA 3.23Å; R12-L24 PolarHBondContact N-O 2.85Å; R12-L24 PolarHBondContact O-N 3.45Å; R12-E95 IonicContact CZ-OE2 3.08Å; R12-E95 IonicContact NE-OE2 3.08Å; R12-E95 IonicContact NH2-OE2 3.32Å; R12-E95 PolarHBondContact NH2-OE2 3.38Å; R12-S98 PolarHBondContact NH1-OG 3.03Å; R12-S98 PolarHBondContact NH2-OG 3.21Å; R12-H740 PolarHBondContact NH2-CE1 3.18Å; R12-H740 VanDerWaalsContact NH2-CE1 3.34Å; R12-H740 PolarHBondContact NH2-ND1 2.78Å; R12-Q741 WeakPolarHBondContact CA-O 3.41Å; R12-Q742 HydrophobicContact CB-CB 4.17Å; R12-Q742 HydrophobicContact CB-CG 4.3Å; R12-Q742 HydrophobicContact CG-CB 4.3Å |
| 13 | R | 94 | Very high | 82.1 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.6 | 174.9 | -179.3 | 176.1 | 168.4 | -171.2 | -1.9 | 110.3 | N15 T16 D17 Y23 E712 I737 H740 Q741 | R13-N15 PolarHBondContact NE-O 2.89Å; R13-T16 PolarHBondContact NH2-O 3.23Å; R13-D17 PolarHBondContact NH2-O 2.83Å; R13-Y23 HydrophobicContact CB-CD1 3.9Å; R13-Y23 HydrophobicContact CB-CE1 3.63Å; R13-Y23 HydrophobicContact CG-CD1 4.29Å; R13-Y23 HydrophobicContact CG-CE1 3.79Å; R13-E712 IonicContact CZ-OE1 2.68Å; R13-E712 VanDerWaalsContact CZ-OE1 3.29Å; R13-E712 IonicContact CZ-OE2 3.66Å; R13-E712 VanDerWaalsContact NH1-CD 3.27Å; R13-E712 IonicContact NH1-OE1 3.95Å; R13-E712 PolarHBondContact NH1-OE1 3.48Å; R13-E712 IonicContact NH1-OE2 2.72Å; R13-E712 PolarHBondContact NH1-OE2 2.9Å; R13-E712 IonicContact NH2-OE1 2.59Å; R13-E712 PolarHBondContact NH2-OE1 2.99Å; R13-E712 IonicContact NH2-OE2 3.18Å; R13-I737 HydrophobicContact CB-CD1 4.09Å; R13-I737 HydrophobicContact CB-CG1 4.07Å; R13-I737 PolarHBondContact NH1-O 3.11Å; R13-H740 PolarHBondContact O-N 2.96Å; R13-H740 VanDerWaalsContact O-N 3.11Å; R13-Q741 PolarHBondContact N-O 3.09Å |
| 14 | L | 92.1 | Very high | 85 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | trans | -100.6 | -33.1 | -174.1 | -56.1 | -177.9 | 0 | 0 | 0 | 113.4 | R12 C22 L24 L33 L91 I99 Y739 | R12-L14 HydrophobicContact CG-CD2 4.1Å; L14-C22 HydrophobicContact CB-CB 4.35Å; L14-C22 WeakPolarHBondContact CB-O 3.43Å; L14-C22 PolarHBondContact N-O 3.41Å; L14-L24 HydrophobicContact CD1-CB 4.19Å; L14-L24 HydrophobicContact CD2-CB 4.46Å; L14-L24 HydrophobicContact CG-CB 4.46Å; L14-L33 HydrophobicContact CD1-CD1 3.72Å; L14-L91 HydrophobicContact CB-CD1 4.39Å; L14-L91 HydrophobicContact CB-CD2 4.07Å; L14-I99 HydrophobicContact CD1-CD1 3.58Å; L14-I99 HydrophobicContact CD2-CD1 3.9Å; L14-I99 HydrophobicContact CG-CD1 4.34Å; L14-Y739 WeakPolarHBondContact O-CE2 3.43Å | ||
| 15 | N | 86.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 20.3 Ų | 20.3 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | trans | -90.1 | 143 | 177.4 | -154.9 | -15.2 | 0 | 0 | 0 | 112.2 | R13 D17 S20 C22 L91 | R13-N15 PolarHBondContact NE-O 2.89Å; N15-D17 PolarHBondContact OD1-N 2.78Å; N15-S20 VanDerWaalsContact CB-O 3.28Å; N15-S20 WeakPolarHBondContact CB-O 3.25Å; N15-S20 WeakPolarHBondContact ND2-CB 3.43Å; N15-S20 PolarHBondContact ND2-O 3.22Å; N15-C22 HydrophobicContact CB-CB 4.14Å; N15-L91 HydrophobicContact CB-CD2 4.29Å | ||
| 16 | T | 81.2 | Confident | 89.2 | Confident | 26 Ų | 26 | 20.4 Ų | 20.4 | 16% | 0.16 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -71.6 | -30 | 171.4 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | R13 K92 Y739 | R13-T16 PolarHBondContact NH2-O 3.23Å; T16-K92 HydrophobicContact CG2-CD 3.97Å; T16-Y739 HydrophobicContact CG2-CD1 3.8Å; T16-Y739 HydrophobicContact CG2-CD2 3.5Å; T16-Y739 VanDerWaalsContact CG2-CD2 3.5Å; T16-Y739 HydrophobicContact CG2-CE1 3.86Å; T16-Y739 HydrophobicContact CG2-CE2 3.56Å; T16-Y739 HydrophobicContact CG2-CG 3.61Å |
| 17 | D | 82 | Confident | 90.5 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 6% | 0.059 | 9% | 0.085 | C | C | . | . | trans | -75.4 | 150.2 | 176.1 | -178.6 | 26.2 | 0 | 0 | 0 | 111.4 | R13 N15 H19 S20 S628 | R13-D17 PolarHBondContact NH2-O 2.83Å; N15-D17 PolarHBondContact OD1-N 2.78Å; D17-H19 VanDerWaalsContact CG-N 3.27Å; D17-H19 IonicContact OD1-CD2 2.7Å; D17-H19 PolarHBondContact OD1-N 2.73Å; D17-H19 WeakPolarHBondContact OD2-CA 3.34Å; D17-H19 WeakPolarHBondContact OD2-CB 3.25Å; D17-H19 PolarHBondContact OD2-N 2.86Å; D17-S20 WeakPolarHBondContact OD2-CB 3.45Å; D17-S20 PolarHBondContact OD2-N 2.85Å; D17-S20 PolarHBondContact OD2-OG 2.88Å; D17-S628 WeakPolarHBondContact OD1-CB 3.5Å | ||
| 18 | V | 84.8 | Confident | 90.9 | Very high | 12 Ų | 12 | 17.4 Ų | 17.4 | 7% | 0.073 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -96.5 | -18.8 | 172.7 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | T274 M277 P710 V713 | V18-T274 VanDerWaalsContact O-CB 3.26Å; V18-T274 WeakPolarHBondContact O-CB 3.42Å; V18-T274 PolarHBondContact O-OG1 3.14Å; V18-M277 HydrophobicContact CG1-CG 3.98Å; V18-P710 HydrophobicContact CG2-CB 3.62Å; V18-P710 HydrophobicContact CG2-CG 3.79Å; V18-V713 HydrophobicContact CG2-CG2 4.31Å |
| 19 | H | 86.1 | Confident | 91 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 3% | 0.032 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -85.5 | -19.5 | 175.3 | -64.4 | -101.1 | 0 | 0 | 0 | 113 | D17 P21 M277 Y278 R687 | D17-H19 VanDerWaalsContact CG-N 3.27Å; D17-H19 IonicContact OD1-CD2 2.7Å; D17-H19 PolarHBondContact OD1-N 2.73Å; D17-H19 WeakPolarHBondContact OD2-CA 3.34Å; D17-H19 WeakPolarHBondContact OD2-CB 3.25Å; D17-H19 PolarHBondContact OD2-N 2.86Å; H19-P21 VanDerWaalsContact C-CD 3.48Å; H19-P21 WeakPolarHBondContact O-CD 3.42Å; H19-M277 PolarHBondContact CE1-N 3.39Å; H19-M277 VanDerWaalsContact CE1-N 3.33Å; H19-Y278 AromaticContact CD2-CE2 3.83Å; H19-Y278 AromaticContact CE1-CD2 3.29Å; H19-Y278 WeakPolarHBondContact CE1-CD2 3.28Å; H19-Y278 AromaticContact CE1-CE2 3.32Å; H19-Y278 WeakPolarHBondContact CE1-CE2 3.49Å; H19-Y278 AromaticContact NE2-CD2 3.64Å; H19-Y278 AromaticContact NE2-CE2 3.21Å; H19-Y278 WeakPolarHBondContact NE2-CE2 3.25Å; H19-Y278 AromaticContact NE2-CZ 3.74Å; H19-R687 PolarHBondContact O-NH1 3.42Å |
| 20 | S | 88.6 | Confident | 91 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -115.7 | 73 | -178.5 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | N15 D17 | N15-S20 VanDerWaalsContact CB-O 3.28Å; N15-S20 WeakPolarHBondContact CB-O 3.25Å; N15-S20 WeakPolarHBondContact ND2-CB 3.43Å; N15-S20 PolarHBondContact ND2-O 3.22Å; D17-S20 WeakPolarHBondContact OD2-CB 3.45Å; D17-S20 PolarHBondContact OD2-N 2.85Å; D17-S20 PolarHBondContact OD2-OG 2.88Å |
| 21 | P | 91.6 | Very high | 91 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.013 | 9% | 0.088 | C | C | . | . | trans | -58.6 | 142.1 | -176.6 | 24.5 | -35 | 0 | 0 | 0 | 113.4 | H19 Y23 D35 C37 T274 | H19-P21 VanDerWaalsContact C-CD 3.48Å; H19-P21 WeakPolarHBondContact O-CD 3.42Å; P21-Y23 HydrophobicContact CB-CD2 4.28Å; P21-Y23 HydrophobicContact CB-CE2 3.98Å; P21-D35 HydrophobicContact CB-CB 4.35Å; P21-D35 HydrophobicContact CG-CB 4.21Å; P21-D35 WeakPolarHBondContact O-CB 3.33Å; P21-C37 PolarHBondContact O-N 2.68Å; P21-T274 HydrophobicContact CG-CG2 4Å | ||
| 22 | C | 94.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.02 | 9% | 0.088 | C | C | . | . | trans | -160.3 | 115.8 | 168.7 | -177 | 0 | 0 | 0 | 0 | 107.6 | L14 N15 D35 L91 | L14-C22 HydrophobicContact CB-CB 4.35Å; L14-C22 WeakPolarHBondContact CB-O 3.43Å; L14-C22 PolarHBondContact N-O 3.41Å; N15-C22 HydrophobicContact CB-CB 4.14Å; C22-D35 WeakPolarHBondContact CA-O 3.36Å; C22-D35 PolarHBondContact SG-O 2.92Å; C22-L91 HydrophobicContact CB-CD2 4.48Å | ||
| 23 | Y | 96.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138 | -174.1 | -69.5 | -102.2 | 0 | 0 | 0 | 111.6 | L11 R12 R13 P21 L33 L34 Y245 G273 I737 | L11-Y23 HydrophobicContact CD1-CD1 4.05Å; L11-Y23 HydrophobicContact CD1-CG 4.42Å; L11-Y23 HydrophobicContact CD2-CD1 4.03Å; L11-Y23 HydrophobicContact CD2-CE1 4.36Å; L11-Y23 HydrophobicContact CG-CD1 4.03Å; R12-Y23 CarbonylContact O-C 3.58Å; R12-Y23 WeakPolarHBondContact O-CA 3.23Å; R13-Y23 HydrophobicContact CB-CD1 3.9Å; R13-Y23 HydrophobicContact CB-CE1 3.63Å; R13-Y23 HydrophobicContact CG-CD1 4.29Å; R13-Y23 HydrophobicContact CG-CE1 3.79Å; P21-Y23 HydrophobicContact CB-CD2 4.28Å; P21-Y23 HydrophobicContact CB-CE2 3.98Å; Y23-L33 CarbonylContact O-C 3.55Å; Y23-L33 WeakPolarHBondContact O-CA 3.36Å; Y23-L34 PolarHBondContact N-O 2.75Å; Y23-L34 PolarHBondContact O-N 3.03Å; Y23-Y245 HydrophobicContact CD2-CE2 4.37Å; Y23-G273 WeakPolarHBondContact CE2-O 3.29Å; Y23-G273 PolarHBondContact OH-O 3.02Å; Y23-I737 HydrophobicContact CE1-CD1 4.43Å; Y23-I737 HydrophobicContact CE1-CG2 3.86Å |
| 24 | L | 96.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 16.8 Ų | 16.8 | 19% | 0.194 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112 | 168.2 | -175.1 | 64.1 | 0 | 0 | 0 | 109.1 | L11 R12 L14 I104 | L11-L24 CarbonylContact C-O 3.59Å; L11-L24 WeakPolarHBondContact CA-O 3.44Å; R12-L24 PolarHBondContact N-O 2.85Å; R12-L24 PolarHBondContact O-N 3.45Å; L14-L24 HydrophobicContact CD1-CB 4.19Å; L14-L24 HydrophobicContact CD2-CB 4.46Å; L14-L24 HydrophobicContact CG-CB 4.46Å; L24-I104 HydrophobicContact CD1-CD1 4.3Å; L24-I104 HydrophobicContact CD1-CG1 4.24Å |
| 25 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.9 | 174.5 | 169.2 | 61.2 | 0 | 0 | 0 | 109.2 | L9 M10 L11 I27 L32 L34 I236 V243 I271 | L9-L25 HydrophobicContact CD1-CD1 3.94Å; L9-L25 HydrophobicContact CD2-CD1 3.7Å; L9-L25 HydrophobicContact CG-CD1 3.58Å; M10-L25 CarbonylContact O-C 3.58Å; M10-L25 WeakPolarHBondContact O-CA 3.26Å; L11-L25 HydrophobicContact CD1-CB 3.86Å; L11-L25 HydrophobicContact CD1-CD1 4.29Å; L25-I27 HydrophobicContact CG-CG2 4.49Å; L25-L32 HydrophobicContact CB-CB 4.34Å; L25-L32 HydrophobicContact CD2-CD1 4.11Å; L25-L32 PolarHBondContact N-O 3.33Å; L25-L32 PolarHBondContact O-N 2.62Å; L25-L34 HydrophobicContact CB-CD1 3.81Å; L25-L34 HydrophobicContact CB-CG 4.08Å; L25-L34 HydrophobicContact CD2-CD1 3.82Å; L25-L34 HydrophobicContact CD2-CD2 4.46Å; L25-L34 HydrophobicContact CG-CD1 4.45Å; L25-I236 HydrophobicContact CD2-CD1 3.82Å; L25-V243 HydrophobicContact CD2-CG1 4.44Å; L25-I271 HydrophobicContact CD2-CD1 4.43Å |
| 26 | R | 95.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 16.5 Ų | 16.5 | 29% | 0.287 | 8% | 0.081 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.8 | 161.8 | -177.9 | 177.2 | 172.1 | 172 | 0.9 | 109.6 | M10 R28 D29 V30 N31 | M10-R26 HydrophobicContact CB-CB 4.48Å; M10-R26 PolarHBondContact N-O 3.49Å; M10-R26 PolarHBondContact O-N 2.93Å; R26-R28 PolarHBondContact NE-O 3.28Å; R26-D29 IonicContact NH2-OD1 3.64Å; R26-D29 PolarHBondContact NH2-OD1 3.42Å; R26-D29 VanDerWaalsContact NH2-OD1 3.08Å; R26-V30 WeakPolarHBondContact CA-O 3.41Å; R26-N31 WeakPolarHBondContact CD-OD1 3.21Å |
| 27 | I | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.1 | 169.8 | 177 | 168.1 | 0 | 0 | 0 | 108 | L25 D29 V30 L32 L218 E241 V243 L747 | L25-I27 HydrophobicContact CG-CG2 4.49Å; I27-D29 PolarHBondContact O-N 3.02Å; I27-V30 PolarHBondContact N-O 3.21Å; I27-V30 VanDerWaalsContact N-O 3.14Å; I27-V30 PolarHBondContact O-N 2.86Å; I27-L32 HydrophobicContact CG2-CD1 4.34Å; I27-L218 HydrophobicContact CD1-CD2 4.4Å; I27-L218 HydrophobicContact CG1-CD2 4.39Å; I27-L218 HydrophobicContact CG2-CD1 3.78Å; I27-L218 HydrophobicContact CG2-CD2 4.06Å; I27-E241 HydrophobicContact CD1-CB 4.37Å; I27-V243 HydrophobicContact CD1-CG2 3.75Å; I27-L747 HydrophobicContact CD1-CD1 4.49Å; I27-L747 HydrophobicContact CG1-CD1 4.29Å |
| 28 | R | 84.5 | Confident | 92.2 | Very high | 44 Ų | 44 | 15.1 Ų | 15.1 | 17% | 0.166 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | -128.1 | -168.2 | -56.1 | 172.1 | 174.5 | -151.8 | -11.6 | 109.9 | R26 S238 S239 T240 E241 | R26-R28 PolarHBondContact NE-O 3.28Å; R28-S238 VanDerWaalsContact CZ-CB 3.42Å; R28-S238 VanDerWaalsContact CZ-OG 3.28Å; R28-S238 PolarHBondContact NE-OG 3.09Å; R28-S238 PolarHBondContact NH2-OG 2.88Å; R28-S239 PolarHBondContact NH1-OG 2.96Å; R28-S239 PolarHBondContact NH2-OG 2.99Å; R28-T240 PolarHBondContact NH2-OG1 2.92Å; R28-E241 IonicContact CZ-OE2 2.69Å; R28-E241 IonicContact NE-OE2 3.48Å; R28-E241 PolarHBondContact NE-OE2 3.06Å; R28-E241 IonicContact NH2-OE1 2.71Å; R28-E241 IonicContact NH2-OE2 3.51Å; R28-E241 PolarHBondContact NH2-OE2 3.32Å |
| 29 | D | 87.5 | Confident | 91.9 | Very high | 79 Ų | 79 | 15.4 Ų | 15.4 | 42% | 0.422 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 12.3 | 179.2 | -68.9 | -43.5 | 0 | 0 | 0 | 114.4 | R26 I27 | R26-D29 IonicContact NH2-OD1 3.64Å; R26-D29 PolarHBondContact NH2-OD1 3.42Å; R26-D29 VanDerWaalsContact NH2-OD1 3.08Å; I27-D29 PolarHBondContact O-N 3.02Å |
| 30 | V | 93.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.7 | 178.3 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | R26 I27 L32 D105 F215 L217 L218 | R26-V30 WeakPolarHBondContact CA-O 3.41Å; I27-V30 PolarHBondContact N-O 3.21Å; I27-V30 VanDerWaalsContact N-O 3.14Å; I27-V30 PolarHBondContact O-N 2.86Å; V30-L32 HydrophobicContact CG1-CD2 3.65Å; V30-L32 HydrophobicContact CG1-CG 4.34Å; V30-D105 HydrophobicContact CG1-CB 4.05Å; V30-F215 HydrophobicContact CG1-CD2 4.44Å; V30-F215 HydrophobicContact CG1-CE2 4.26Å; V30-F215 HydrophobicContact CG2-CD2 4.38Å; V30-L217 HydrophobicContact CG2-CB 4.02Å; V30-L217 HydrophobicContact CG2-CD1 3.79Å; V30-L218 HydrophobicContact CB-CD1 3.82Å; V30-L218 HydrophobicContact CG1-CD1 4.13Å; V30-L218 HydrophobicContact CG2-CD1 3.95Å; V30-L218 HydrophobicContact CG2-CG 4.29Å |
| 31 | N | 95.7 | Very high | 91 | Very high | 30 Ų | 30 | 15.4 Ų | 15.4 | 16% | 0.16 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 112.4 | 177.2 | -49.8 | -86 | 0 | 0 | 0 | 109.4 | R26 T103 D105 V106 | R26-N31 WeakPolarHBondContact CD-OD1 3.21Å; N31-T103 VanDerWaalsContact CB-O 3.27Å; N31-T103 WeakPolarHBondContact CB-O 3.11Å; N31-T103 PolarHBondContact ND2-O 3.29Å; N31-D105 WeakPolarHBondContact CB-OD2 3.28Å; N31-D105 PolarHBondContact N-OD2 3.25Å; N31-D105 PolarHBondContact ND2-OD2 2.7Å; N31-D105 PolarHBondContact O-N 3.23Å; N31-V106 PolarHBondContact O-N 3.45Å |
| 32 | L | 97.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129 | -178.7 | -51.3 | 177.8 | 0 | 0 | 0 | 109.6 | L25 I27 V30 L34 V106 L214 L218 I236 | L25-L32 HydrophobicContact CB-CB 4.34Å; L25-L32 HydrophobicContact CD2-CD1 4.11Å; L25-L32 PolarHBondContact N-O 3.33Å; L25-L32 PolarHBondContact O-N 2.62Å; I27-L32 HydrophobicContact CG2-CD1 4.34Å; V30-L32 HydrophobicContact CG1-CD2 3.65Å; V30-L32 HydrophobicContact CG1-CG 4.34Å; L32-L34 HydrophobicContact CB-CD2 4.08Å; L32-V106 CarbonylContact C-O 3.49Å; L32-V106 WeakPolarHBondContact CA-O 3.39Å; L32-V106 HydrophobicContact CD2-CB 3.74Å; L32-V106 HydrophobicContact CD2-CG1 4.27Å; L32-V106 HydrophobicContact CD2-CG2 4.3Å; L32-L214 HydrophobicContact CD2-CD1 3.96Å; L32-L218 HydrophobicContact CD1-CD1 4.2Å; L32-I236 HydrophobicContact CD1-CD1 3.81Å; L32-I236 HydrophobicContact CD1-CG1 4.4Å; L32-I236 HydrophobicContact CD1-CG2 4.09Å |
| 33 | L | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.8 | 162.9 | -168.7 | 73.2 | 0 | 0 | 0 | 108.4 | L14 Y23 C36 W101 I104 V106 I107 L108 L121 | L14-L33 HydrophobicContact CD1-CD1 3.72Å; Y23-L33 CarbonylContact O-C 3.55Å; Y23-L33 WeakPolarHBondContact O-CA 3.36Å; L33-C36 HydrophobicContact CD2-CB 4.38Å; L33-W101 HydrophobicContact CD2-CZ3 4.16Å; L33-I104 HydrophobicContact CB-CD1 4.49Å; L33-I104 HydrophobicContact CB-CG2 3.98Å; L33-I104 HydrophobicContact CD1-CD1 4.42Å; L33-V106 PolarHBondContact N-O 3.13Å; L33-I107 HydrophobicContact CB-CB 4.37Å; L33-I107 HydrophobicContact CB-CG1 4.01Å; L33-I107 HydrophobicContact CB-CG2 4.27Å; L33-I107 HydrophobicContact CD2-CD1 4.06Å; L33-I107 HydrophobicContact CD2-CG1 4.01Å; L33-I107 HydrophobicContact CD2-CG2 4.16Å; L33-I107 CarbonylContact O-C 3.5Å; L33-I107 WeakPolarHBondContact O-CA 3.47Å; L33-L108 PolarHBondContact O-N 2.98Å; L33-L121 HydrophobicContact CD2-CD1 4.03Å |
| 34 | L | 97.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.1 | 179.1 | -47.6 | 177.8 | 0 | 0 | 0 | 108.8 | L11 Y23 L25 L32 L108 I236 Y245 | L11-L34 HydrophobicContact CD1-CD1 4.47Å; Y23-L34 PolarHBondContact N-O 2.75Å; Y23-L34 PolarHBondContact O-N 3.03Å; L25-L34 HydrophobicContact CB-CD1 3.81Å; L25-L34 HydrophobicContact CB-CG 4.08Å; L25-L34 HydrophobicContact CD2-CD1 3.82Å; L25-L34 HydrophobicContact CD2-CD2 4.46Å; L25-L34 HydrophobicContact CG-CD1 4.45Å; L32-L34 HydrophobicContact CB-CD2 4.08Å; L34-L108 HydrophobicContact CD2-CB 4.19Å; L34-L108 HydrophobicContact CD2-CD1 3.82Å; L34-L108 HydrophobicContact CD2-CG 4.26Å; L34-I236 HydrophobicContact CD2-CD1 4.26Å; L34-Y245 HydrophobicContact CB-CD1 4.13Å; L34-Y245 HydrophobicContact CB-CD2 4.37Å; L34-Y245 HydrophobicContact CB-CE1 3.81Å; L34-Y245 HydrophobicContact CB-CE2 4.07Å; L34-Y245 HydrophobicContact CB-CG 4.4Å; L34-Y245 HydrophobicContact CD1-CD1 4.34Å; L34-Y245 HydrophobicContact CD1-CD2 3.6Å; L34-Y245 HydrophobicContact CD1-CE2 3.97Å; L34-Y245 HydrophobicContact CD1-CG 3.8Å |
| 35 | D | 96.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | trans | 56.7 | 157.3 | -170.2 | -70.4 | -20.6 | 0 | 0 | 0 | 115.7 | P21 C22 L108 S110 N111 S114 S247 | P21-D35 HydrophobicContact CB-CB 4.35Å; P21-D35 HydrophobicContact CG-CB 4.21Å; P21-D35 WeakPolarHBondContact O-CB 3.33Å; C22-D35 WeakPolarHBondContact CA-O 3.36Å; C22-D35 PolarHBondContact SG-O 2.92Å; D35-L108 PolarHBondContact N-O 2.59Å; D35-S110 VanDerWaalsContact CG-OG 3.26Å; D35-S110 WeakPolarHBondContact OD1-CB 3.35Å; D35-S110 PolarHBondContact OD1-N 2.85Å; D35-S110 PolarHBondContact OD1-OG 2.89Å; D35-S110 WeakPolarHBondContact OD2-CB 3.4Å; D35-S110 PolarHBondContact OD2-OG 3.01Å; D35-N111 PolarHBondContact OD2-ND2 3.26Å; D35-S114 WeakPolarHBondContact CB-OG 3.32Å; D35-S114 PolarHBondContact OD1-OG 3.48Å; D35-S247 VanDerWaalsContact OD2-CB 3.25Å; D35-S247 WeakPolarHBondContact OD2-CB 3.2Å; D35-S247 PolarHBondContact OD2-OG 2.92Å | ||
| 36 | C | 92.8 | Very high | 87.5 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | trans | -144.2 | 54.5 | 173.4 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | L33 S114 G117 L118 L121 | L33-C36 HydrophobicContact CD2-CB 4.38Å; C36-S114 PolarHBondContact SG-O 2.86Å; C36-G117 WeakPolarHBondContact O-CA 3.33Å; C36-G117 PolarHBondContact O-N 3.2Å; C36-L118 VanDerWaalsContact SG-CD2 3.57Å; C36-L121 HydrophobicContact CB-CD1 3.97Å | ||
| 37 | C | 88.1 | Confident | 86.7 | Confident | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | trans | -63.3 | 138.5 | 176.7 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | P21 S114 | P21-C37 PolarHBondContact O-N 2.68Å; C37-S114 PolarHBondContact SG-OG 3.03Å | ||
| 38 | M | 82.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.034 | 7% | 0.067 | C | C | . | . | trans | -90.5 | 129.8 | 169.8 | -82 | 173.8 | 42.4 | 0 | 0 | 111.1 | L40 F88 M90 L116 F190 Y191 | M38-L40 HydrophobicContact CB-CD2 4.25Å; M38-L40 HydrophobicContact CE-CD2 3.85Å; M38-L40 PolarHBondContact O-N 3.2Å; M38-L40 VanDerWaalsContact O-N 3.07Å; M38-F88 HydrophobicContact CE-CD2 3.32Å; M38-F88 HydrophobicContact CE-CE2 3.4Å; M38-F88 VanDerWaalsContact CE-CE2 3.4Å; M38-F88 HydrophobicContact CE-CG 3.97Å; M38-F88 HydrophobicContact CE-CZ 4.13Å; M38-F88 HydrophobicContact CG-CD2 4.37Å; M38-F88 HydrophobicContact CG-CE2 4.15Å; M38-F88 HydrophobicContact SD-CD2 3.99Å; M38-F88 HydrophobicContact SD-CE2 3.5Å; M38-F88 WeakPolarHBondContact SD-CE2 3.29Å; M38-F88 HydrophobicContact SD-CZ 4.24Å; M38-M90 HydrophobicContact CG-CB 4.33Å; M38-M90 HydrophobicContact CG-CG 3.94Å; M38-L116 HydrophobicContact CB-CB 4.3Å; M38-L116 HydrophobicContact CG-CB 4.44Å; M38-L116 VanDerWaalsContact SD-C 3.53Å; M38-L116 HydrophobicContact SD-CB 4.12Å; M38-F190 HydrophobicContact CE-CD1 4.36Å; M38-F190 HydrophobicContact CE-CE1 3.72Å; M38-Y191 HydrophobicContact SD-CE1 4.12Å | ||
| 39 | D | 78.4 | Confident | 85 | Confident | 18 Ų | 18 | 19 Ų | 19 | 10% | 0.096 | 10% | 0.095 | C | C | . | . | trans | -77 | 90.6 | 171.9 | -178 | 0.8 | 0 | 0 | 0 | 110.8 | S41 N42 S628 | D39-S41 VanDerWaalsContact C-N 3.31Å; D39-S41 VanDerWaalsContact OD1-CB 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.85Å; D39-S41 PolarHBondContact OD1-OG 3.5Å; D39-N42 PolarHBondContact O-ND2 2.98Å; D39-N42 PolarHBondContact OD1-ND2 3Å; D39-N42 PolarHBondContact OD2-ND2 3.4Å; D39-S628 PolarHBondContact OD2-OG 3.22Å | ||
| 40 | L | 79.2 | Confident | 83.9 | Confident | 15 Ų | 15 | 16.7 Ų | 16.7 | 8% | 0.079 | 8% | 0.082 | C | C | . | . | trans | -75.9 | -14.3 | 176.9 | -59.7 | -174.8 | 0 | 0 | 0 | 113.6 | M38 N42 L43 L116 | M38-L40 HydrophobicContact CB-CD2 4.25Å; M38-L40 HydrophobicContact CE-CD2 3.85Å; M38-L40 PolarHBondContact O-N 3.2Å; M38-L40 VanDerWaalsContact O-N 3.07Å; L40-N42 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact O-N 3.14Å; L40-L43 HydrophobicContact CB-CD1 4.2Å; L40-L43 HydrophobicContact CD2-CD1 4.02Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 VanDerWaalsContact O-CG 3.25Å; L40-L43 WeakPolarHBondContact O-CG 3.23Å; L40-L43 PolarHBondContact O-N 3.32Å; L40-L116 HydrophobicContact CD1-CD1 4.12Å | ||
| 41 | S | 77.4 | Confident | 82.1 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -60.3 | -31 | -173.5 | 71.6 | 0 | 0 | 0 | 0 | 112.7 | D39 L43 S44 P627 | D39-S41 VanDerWaalsContact C-N 3.31Å; D39-S41 VanDerWaalsContact OD1-CB 3.28Å; D39-S41 WeakPolarHBondContact OD1-CB 3.43Å; D39-S41 PolarHBondContact OD1-N 2.85Å; D39-S41 PolarHBondContact OD1-OG 3.5Å; S41-L43 PolarHBondContact O-N 2.69Å; S41-S44 VanDerWaalsContact O-CB 3.26Å; S41-S44 WeakPolarHBondContact O-CB 3.45Å; S41-S44 PolarHBondContact O-N 2.91Å; S41-S44 VanDerWaalsContact O-N 3.07Å; S41-S44 PolarHBondContact O-OG 3Å; S41-P627 WeakPolarHBondContact OG-CA 3.37Å |
| 42 | N | 79 | Confident | 80.1 | Confident | 11 Ų | 11 | 20.3 Ų | 20.3 | 6% | 0.059 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | -63.2 | -22.6 | 177 | -59 | -71.2 | 0 | 0 | 0 | 113.1 | D39 L40 S44 Y45 L179 W187 | D39-N42 PolarHBondContact O-ND2 2.98Å; D39-N42 PolarHBondContact OD1-ND2 3Å; D39-N42 PolarHBondContact OD2-ND2 3.4Å; L40-N42 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact O-N 3.14Å; N42-S44 PolarHBondContact O-N 3.21Å; N42-Y45 PolarHBondContact O-N 2.88Å; N42-L179 HydrophobicContact CB-CD1 4.5Å; N42-W187 HydrophobicContact CB-CH2 4.25Å |
| 43 | L | 81.2 | Confident | 77.5 | Confident | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -63.2 | -21.5 | 174.3 | -57.9 | 177.2 | 0 | 0 | 0 | 111.9 | L40 S41 Y45 F46 F86 F190 R584 | L40-L43 HydrophobicContact CB-CD1 4.2Å; L40-L43 HydrophobicContact CD2-CD1 4.02Å; L40-L43 WeakPolarHBondContact O-CB 3.36Å; L40-L43 VanDerWaalsContact O-CG 3.25Å; L40-L43 WeakPolarHBondContact O-CG 3.23Å; L40-L43 PolarHBondContact O-N 3.32Å; S41-L43 PolarHBondContact O-N 2.69Å; L43-Y45 PolarHBondContact O-N 2.91Å; L43-Y45 VanDerWaalsContact O-N 3.15Å; L43-F46 PolarHBondContact O-N 3.45Å; L43-F86 HydrophobicContact CB-CD1 4.19Å; L43-F86 HydrophobicContact CB-CE1 4.13Å; L43-F86 HydrophobicContact CD2-CB 4.33Å; L43-F86 HydrophobicContact CD2-CD1 3.73Å; L43-F86 HydrophobicContact CD2-CG 4.38Å; L43-F86 HydrophobicContact CG-CD1 4.45Å; L43-F190 HydrophobicContact CD1-CZ 4.27Å; L43-F190 HydrophobicContact CD2-CE2 4.42Å; L43-F190 HydrophobicContact CD2-CZ 4.22Å; L43-R584 WeakPolarHBondContact O-CG 3.4Å |
| 44 | S | 81 | Confident | 74.9 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -62.9 | -15.7 | 176.2 | 68.8 | 0 | 0 | 0 | 0 | 114.3 | S41 N42 R584 | S41-S44 VanDerWaalsContact O-CB 3.26Å; S41-S44 WeakPolarHBondContact O-CB 3.45Å; S41-S44 PolarHBondContact O-N 2.91Å; S41-S44 VanDerWaalsContact O-N 3.07Å; S41-S44 PolarHBondContact O-OG 3Å; N42-S44 PolarHBondContact O-N 3.21Å; S44-R584 PolarHBondContact O-NE 3.2Å; S44-R584 PolarHBondContact O-NH2 2.86Å |
| 45 | Y | 79.3 | Confident | 72.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -88.4 | -7.5 | 173.8 | -64.9 | -62.4 | 0 | 0 | 0 | 114.5 | N42 L43 M79 Y81 I82 P175 I176 L179 P627 F629 E630 | N42-Y45 PolarHBondContact O-N 2.88Å; L43-Y45 PolarHBondContact O-N 2.91Å; L43-Y45 VanDerWaalsContact O-N 3.15Å; Y45-M79 HydrophobicContact CE1-CE 4.22Å; Y45-Y81 CarbonylContact O-C 3.56Å; Y45-Y81 WeakPolarHBondContact O-CA 3.4Å; Y45-Y81 WeakPolarHBondContact O-CD1 3.44Å; Y45-I82 PolarHBondContact O-N 3.14Å; Y45-P175 HydrophobicContact CE1-CB 4.47Å; Y45-P175 HydrophobicContact CE1-CG 4.01Å; Y45-P175 WeakPolarHBondContact OH-CB 3.34Å; Y45-I176 HydrophobicContact CD1-CD1 3.7Å; Y45-I176 HydrophobicContact CD1-CG1 3.55Å; Y45-I176 HydrophobicContact CD2-CG1 4.37Å; Y45-I176 HydrophobicContact CE1-CG1 4.04Å; Y45-I176 HydrophobicContact CG-CD1 3.93Å; Y45-I176 HydrophobicContact CG-CG1 3.75Å; Y45-L179 HydrophobicContact CD2-CD2 4Å; Y45-P627 HydrophobicContact CD2-CG 4.37Å; Y45-P627 HydrophobicContact CE2-CB 3.92Å; Y45-P627 HydrophobicContact CE2-CG 3.49Å; Y45-P627 VanDerWaalsContact CE2-CG 3.49Å; Y45-F629 AromaticContact CE2-CE1 3.79Å; Y45-F629 HydrophobicContact CE2-CE1 3.79Å; Y45-F629 AromaticContact CE2-CZ 3.66Å; Y45-F629 HydrophobicContact CE2-CZ 3.66Å; Y45-F629 AromaticContact CZ-CZ 3.88Å; Y45-F629 WeakPolarHBondContact OH-CZ 3.37Å; Y45-E630 PolarHBondContact OH-OE1 3.04Å |
| 46 | F | 80.8 | Confident | 69.4 | Low | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 147 | 179.8 | -72.7 | -106.5 | 0 | 0 | 0 | 111.8 | L43 I82 F86 K87 L164 W187 R584 | L43-F46 PolarHBondContact O-N 3.45Å; F46-I82 CarbonylContact C-O 3.44Å; F46-I82 VanDerWaalsContact CA-O 3.31Å; F46-I82 WeakPolarHBondContact CA-O 3.32Å; F46-I82 HydrophobicContact CD1-CB 4.04Å; F46-I82 HydrophobicContact CD1-CG2 3.89Å; F46-I82 HydrophobicContact CD2-CD1 4.37Å; F46-I82 HydrophobicContact CE1-CB 4.25Å; F46-I82 HydrophobicContact CE1-CD1 4.37Å; F46-I82 HydrophobicContact CE1-CG2 3.79Å; F46-I82 HydrophobicContact CE2-CD1 3.98Å; F46-I82 HydrophobicContact CG-CB 4.28Å; F46-I82 HydrophobicContact CZ-CD1 3.99Å; F46-I82 HydrophobicContact CZ-CG2 4.44Å; F46-F86 HydrophobicContact CB-CD1 3.59Å; F46-F86 HydrophobicContact CB-CE1 3.54Å; F46-F86 HydrophobicContact CD1-CD1 4.32Å; F46-F86 HydrophobicContact CD2-CD1 4.34Å; F46-F86 AromaticContact CG-CD1 3.86Å; F46-F86 HydrophobicContact CG-CD1 3.86Å; F46-F86 HydrophobicContact CG-CE1 4.3Å; F46-K87 HydrophobicContact CE1-CB 4.46Å; F46-K87 HydrophobicContact CZ-CB 4.36Å; F46-L164 HydrophobicContact CE1-CD2 4.35Å; F46-L164 HydrophobicContact CZ-CD2 4.05Å; F46-W187 HydrophobicContact CE2-CZ3 4.1Å; F46-W187 HydrophobicContact CZ-CE3 4.17Å; F46-W187 HydrophobicContact CZ-CZ3 4.07Å; F46-R584 VanDerWaalsContact O-CD 3.27Å; F46-R584 WeakPolarHBondContact O-CD 3.37Å; F46-R584 VanDerWaalsContact O-CG 3.27Å; F46-R584 WeakPolarHBondContact O-CG 3.31Å |
| 47 | L | 79.3 | Confident | 67 | Low | 33 Ų | 33 | 29.7 Ų | 29.7 | 17% | 0.173 | 15% | 0.152 | C | C | . | . | trans | -131.9 | 78.1 | 172.7 | -67 | 176.8 | 0 | 0 | 0 | 110 | I76 Y81 I82 P649 | L47-I76 HydrophobicContact CD1-CD1 3.49Å; L47-I76 VanDerWaalsContact CD1-CD1 3.49Å; L47-Y81 HydrophobicContact CD1-CD1 4.18Å; L47-Y81 HydrophobicContact CD1-CD2 4.13Å; L47-Y81 HydrophobicContact CD1-CG 3.63Å; L47-Y81 HydrophobicContact CG-CD1 4.1Å; L47-Y81 HydrophobicContact CG-CG 4.02Å; L47-I82 PolarHBondContact N-O 3.08Å; L47-P649 HydrophobicContact CD1-CB 4.39Å; L47-P649 HydrophobicContact CD2-CB 3.65Å; L47-P649 HydrophobicContact CD2-CG 3.99Å | ||
| 48 | P | 72.9 | Confident | 65 | Low | 20 Ų | 20 | 32.9 Ų | 32.9 | 13% | 0.13 | 17% | 0.174 | C | C | . | . | trans | -73.5 | 155 | 176.2 | 11.6 | -0.1 | 0 | 0 | 0 | 111.2 | H50 F86 L155 | P48-H50 PolarHBondContact O-N 3.14Å; P48-F86 HydrophobicContact CB-CE2 4.29Å; P48-F86 HydrophobicContact CG-CD1 4.49Å; P48-F86 HydrophobicContact CG-CD2 3.68Å; P48-F86 HydrophobicContact CG-CE1 4.05Å; P48-F86 HydrophobicContact CG-CE2 3.11Å; P48-F86 HydrophobicContact CG-CG 4.34Å; P48-F86 HydrophobicContact CG-CZ 3.32Å; P48-L155 HydrophobicContact CB-CD1 4.16Å; P48-L155 HydrophobicContact CB-CD2 4.33Å; P48-L155 HydrophobicContact CG-CD1 4.19Å | ||
| 49 | K | 67.6 | Low | 63.3 | Low | 171 Ų | 171 | 36.4 Ų | 36.4 | 74% | 0.743 | 19% | 0.193 | S | C | * | . | trans | -75.9 | 93.1 | 176.5 | -68.2 | -179.5 | -179.2 | 175 | 0 | 110.3 | ||||
| 50 | H | 64.4 | Low | 62.1 | Low | 31 Ų | 31 | 36.2 Ų | 36.2 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 136 | 174.8 | -152.6 | -48.4 | 0 | 0 | 0 | 111.4 | P48 L52 L155 H590 | P48-H50 PolarHBondContact O-N 3.14Å; H50-L52 PolarHBondContact O-N 3.44Å; H50-L52 VanDerWaalsContact O-N 3.09Å; H50-L155 HydrophobicContact CB-CD2 4.47Å; H50-H590 AromaticContact CD2-CE1 3.73Å; H50-H590 AromaticContact CD2-NE2 3.32Å; H50-H590 PolarHBondContact CD2-NE2 2.84Å; H50-H590 VanDerWaalsContact CD2-NE2 3.32Å; H50-H590 AromaticContact CE1-CE1 3.58Å; H50-H590 AromaticContact CE1-NE2 3.1Å; H50-H590 PolarHBondContact CE1-NE2 3.14Å; H50-H590 AromaticContact CG-CE1 3.5Å; H50-H590 VanDerWaalsContact CG-CE1 3.5Å; H50-H590 AromaticContact CG-NE2 3.56Å; H50-H590 AromaticContact ND1-CE1 3.37Å; H50-H590 PolarHBondContact ND1-CE1 3.23Å; H50-H590 AromaticContact ND1-NE2 3.39Å; H50-H590 PolarHBondContact ND1-NE2 3.16Å; H50-H590 AromaticContact NE2-CE1 3.75Å; H50-H590 AromaticContact NE2-NE2 2.99Å; H50-H590 PolarHBondContact NE2-NE2 3.16Å |
| 51 | Q | 54.7 | Low | 61 | Low | 67 Ų | 67 | 38.6 Ų | 38.6 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | trans | -69.6 | 101.1 | 168.6 | -138.2 | 168.2 | 78.9 | 0 | 0 | 109.4 | M53 F156 | Q51-M53 HydrophobicContact CB-CG 4.03Å; Q51-M53 HydrophobicContact CG-CG 3.61Å; Q51-M53 HydrophobicContact CG-SD 4.24Å; Q51-M53 PolarHBondContact O-N 2.94Å; Q51-M53 PolarHBondContact OE1-SD 3.25Å; Q51-F156 HydrophobicContact CB-CE2 4.26Å; Q51-F156 HydrophobicContact CG-CD2 4.37Å; Q51-F156 HydrophobicContact CG-CE2 3.65Å; Q51-F156 HydrophobicContact CG-CZ 3.82Å | ||
| 52 | L | 53.3 | Low | 60.2 | Low | 40 Ų | 40 | 43.2 Ų | 43.2 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | -77 | 59.4 | 175 | -77.6 | 161.9 | 0 | 0 | 0 | 110.6 | H50 S54 C57 H590 | H50-L52 PolarHBondContact O-N 3.44Å; H50-L52 VanDerWaalsContact O-N 3.09Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.88Å; L52-C57 HydrophobicContact CD2-CB 3.91Å; L52-H590 WeakPolarHBondContact CD2-ND1 3.33Å | ||
| 53 | M | 44.1 | Very low | 59.3 | Low | 123 Ų | 123 | 43.8 Ų | 43.8 | 61% | 0.606 | 24% | 0.236 | S | C | * | . | trans | -72.5 | -15.4 | -173.6 | -66.9 | -142.5 | 79.9 | 0 | 0 | 114.6 | Q51 P55 Y481 | Q51-M53 HydrophobicContact CB-CG 4.03Å; Q51-M53 HydrophobicContact CG-CG 3.61Å; Q51-M53 HydrophobicContact CG-SD 4.24Å; Q51-M53 PolarHBondContact O-N 2.94Å; Q51-M53 PolarHBondContact OE1-SD 3.25Å; M53-P55 WeakPolarHBondContact O-CD 3.47Å; M53-Y481 HydrophobicContact CB-CE1 4.25Å | ||
| 54 | S | 43.6 | Very low | 58.3 | Low | 7 Ų | 7 | 46.6 Ų | 46.6 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -68.6 | 123.1 | 178.1 | 16 | 0 | 0 | 0 | 0 | 111 | L52 G56 C57 S58 Y481 | L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.88Å; S54-G56 PolarHBondContact O-N 3.43Å; S54-C57 VanDerWaalsContact CB-SG 3.52Å; S54-C57 WeakPolarHBondContact O-CA 3.31Å; S54-C57 VanDerWaalsContact O-CB 3.23Å; S54-C57 WeakPolarHBondContact O-CB 3.47Å; S54-C57 PolarHBondContact O-N 2.9Å; S54-C57 VanDerWaalsContact OG-CB 3.25Å; S54-C57 WeakPolarHBondContact OG-CB 3.35Å; S54-C57 PolarHBondContact OG-SG 2.96Å; S54-S58 PolarHBondContact O-N 3.45Å; S54-S58 VanDerWaalsContact O-N 3.08Å; S54-Y481 PolarHBondContact N-OH 2.93Å |
| 55 | P | 37.8 | Very low | 56.9 | Low | 48 Ų | 48 | 50.6 Ų | 50.6 | 31% | 0.312 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 127.6 | 174.5 | -26.2 | 31.2 | 0 | 0 | 0 | 112.1 | M53 C57 T505 L509 | M53-P55 WeakPolarHBondContact O-CD 3.47Å; P55-C57 PolarHBondContact O-N 3.17Å; P55-T505 HydrophobicContact CG-CG2 3.94Å; P55-L509 HydrophobicContact CB-CD1 3.82Å; P55-L509 HydrophobicContact CB-CD2 4.1Å; P55-L509 HydrophobicContact CG-CD1 3.94Å; P55-L509 WeakPolarHBondContact O-CD1 3.48Å |
| 56 | G | 40.8 | Very low | 55.1 | Low | 9 Ų | 9 | 53 Ų | 53 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -14.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | S54 S58 | S54-G56 PolarHBondContact O-N 3.43Å; G56-S58 PolarHBondContact N-OG 2.81Å; G56-S58 VanDerWaalsContact N-OG 3.07Å |
| 57 | C | 41.2 | Very low | 53.1 | Low | 12 Ų | 12 | 61.5 Ų | 61.5 | 8% | 0.081 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -33.9 | 157.4 | -58.9 | 0 | 0 | 0 | 0 | 110.3 | L52 S54 P55 D59 L60 V594 | L52-C57 HydrophobicContact CD2-CB 3.91Å; S54-C57 VanDerWaalsContact CB-SG 3.52Å; S54-C57 WeakPolarHBondContact O-CA 3.31Å; S54-C57 VanDerWaalsContact O-CB 3.23Å; S54-C57 WeakPolarHBondContact O-CB 3.47Å; S54-C57 PolarHBondContact O-N 2.9Å; S54-C57 VanDerWaalsContact OG-CB 3.25Å; S54-C57 WeakPolarHBondContact OG-CB 3.35Å; S54-C57 PolarHBondContact OG-SG 2.96Å; P55-C57 PolarHBondContact O-N 3.17Å; C57-D59 PolarHBondContact O-N 2.85Å; C57-L60 HydrophobicContact CB-CD1 4.26Å; C57-L60 WeakPolarHBondContact O-CB 3.26Å; C57-L60 PolarHBondContact O-N 3.46Å; C57-V594 WeakPolarHBondContact SG-CG2 3.36Å |
| 58 | S | 47 | Very low | 51.4 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -30.7 | 165.1 | 53 | 0 | 0 | 0 | 0 | 114.6 | S54 G56 | S54-S58 PolarHBondContact O-N 3.45Å; S54-S58 VanDerWaalsContact O-N 3.08Å; G56-S58 PolarHBondContact N-OG 2.81Å; G56-S58 VanDerWaalsContact N-OG 3.07Å |
| 59 | D | 47.2 | Very low | 50 | Low | 82 Ų | 82 | 70.1 Ų | 70.1 | 44% | 0.439 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -6.1 | -172.9 | -73.9 | 55.1 | 0 | 0 | 0 | 113.1 | C57 R601 | C57-D59 PolarHBondContact O-N 2.85Å; D59-R601 IonicContact OD2-CZ 3.78Å; D59-R601 IonicContact OD2-NH2 2.71Å; D59-R601 PolarHBondContact OD2-NH2 2.88Å |
| 60 | L | 52.2 | Low | 49.3 | Very low | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -68.3 | 145.2 | 177.3 | -63.8 | 171.2 | 0 | 0 | 0 | 109.3 | C57 D62 R593 V594 | C57-L60 HydrophobicContact CB-CD1 4.26Å; C57-L60 WeakPolarHBondContact O-CB 3.26Å; C57-L60 PolarHBondContact O-N 3.46Å; L60-D62 PolarHBondContact O-N 2.59Å; L60-D62 VanDerWaalsContact O-N 3.16Å; L60-R593 HydrophobicContact CD1-CB 3.8Å; L60-V594 HydrophobicContact CD1-CG2 3.86Å |
| 61 | P | 56.4 | Low | 49.1 | Very low | 65 Ų | 65 | 66.4 Ų | 66.4 | 42% | 0.422 | 42% | 0.424 | S | S | . | . | trans | -52.3 | 126.5 | 174.2 | -25.2 | 33.9 | 0 | 0 | 0 | 110.3 | M63 R593 | P61-M63 WeakPolarHBondContact O-CG 3.46Å; P61-M63 PolarHBondContact O-N 3.32Å; P61-M63 VanDerWaalsContact O-N 3.11Å; P61-R593 PolarHBondContact O-NH2 3.28Å | ||
| 62 | D | 60.5 | Low | 49.9 | Very low | 100 Ų | 100 | 64.7 Ų | 64.7 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | trans | -79 | 97 | 172.6 | -169.8 | 15.8 | 0 | 0 | 0 | 108.5 | L60 W64 S65 | L60-D62 PolarHBondContact O-N 2.59Å; L60-D62 VanDerWaalsContact O-N 3.16Å; D62-W64 PolarHBondContact O-N 3.02Å; D62-S65 WeakPolarHBondContact CB-OG 3.37Å; D62-S65 WeakPolarHBondContact OD2-CB 3.12Å; D62-S65 PolarHBondContact OD2-OG 3.24Å | ||
| 63 | M | 60.2 | Low | 51 | Low | 22 Ų | 22 | 65.6 Ų | 65.6 | 11% | 0.108 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.3 | -153.7 | -56.8 | -178.6 | 60.7 | 0 | 0 | 113.9 | P61 Y597 F650 L651 Q652 | P61-M63 WeakPolarHBondContact O-CG 3.46Å; P61-M63 PolarHBondContact O-N 3.32Å; P61-M63 VanDerWaalsContact O-N 3.11Å; M63-Y597 HydrophobicContact CE-CE2 3.82Å; M63-Y597 HydrophobicContact SD-CD2 4.29Å; M63-Y597 HydrophobicContact SD-CE2 3.92Å; M63-F650 VanDerWaalsContact CE-O 3.27Å; M63-F650 WeakPolarHBondContact CE-O 3.41Å; M63-L651 VanDerWaalsContact CE-O 3.24Å; M63-L651 WeakPolarHBondContact CE-O 3.25Å; M63-Q652 HydrophobicContact CE-CG 3.99Å |
| 64 | W | 60.6 | Low | 52.6 | Low | 64 Ų | 64 | 61.3 Ų | 61.3 | 24% | 0.242 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 3.9 | -166.8 | -60.8 | 110.4 | 0 | 0 | 0 | 115 | D62 G66 T74 I76 P649 L651 P653 I656 | D62-W64 PolarHBondContact O-N 3.02Å; W64-G66 VanDerWaalsContact C-N 3.34Å; W64-T74 HydrophobicContact CB-CG2 4.17Å; W64-T74 HydrophobicContact CD2-CG2 4.47Å; W64-T74 HydrophobicContact CE3-CG2 4.23Å; W64-T74 HydrophobicContact CG-CG2 4.43Å; W64-I76 HydrophobicContact CD2-CD1 3.73Å; W64-I76 HydrophobicContact CD2-CG1 3.93Å; W64-I76 HydrophobicContact CE3-CD1 4.18Å; W64-I76 HydrophobicContact CE3-CG1 3.83Å; W64-I76 HydrophobicContact CG-CD1 4.18Å; W64-I76 HydrophobicContact CH2-CB 4.06Å; W64-I76 HydrophobicContact CH2-CD1 4.32Å; W64-I76 HydrophobicContact CH2-CG1 3.86Å; W64-I76 HydrophobicContact CH2-CG2 3.72Å; W64-I76 HydrophobicContact CZ2-CB 4.28Å; W64-I76 HydrophobicContact CZ2-CD1 3.86Å; W64-I76 HydrophobicContact CZ2-CG1 3.92Å; W64-I76 HydrophobicContact CZ2-CG2 3.66Å; W64-I76 HydrophobicContact CZ3-CB 4.34Å; W64-I76 HydrophobicContact CZ3-CD1 4.45Å; W64-I76 HydrophobicContact CZ3-CG1 3.8Å; W64-I76 HydrophobicContact CZ3-CG2 4.47Å; W64-P649 PolarHBondContact NE1-O 3.33Å; W64-L651 WeakPolarHBondContact CZ2-O 3.36Å; W64-P653 HydrophobicContact CH2-CG 4.02Å; W64-P653 HydrophobicContact CZ3-CG 4.24Å; W64-I656 HydrophobicContact CH2-CD1 3.65Å; W64-I656 HydrophobicContact CZ2-CD1 4.06Å |
| 65 | S | 51 | Low | 54.2 | Low | 85 Ų | 85 | 67 Ų | 67 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -85.1 | -2.7 | -179.5 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | D62 | D62-S65 WeakPolarHBondContact CB-OG 3.37Å; D62-S65 WeakPolarHBondContact OD2-CB 3.12Å; D62-S65 PolarHBondContact OD2-OG 3.24Å |
| 66 | G | 42.6 | Very low | 56.1 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 54% | 0.536 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -94.5 | 133.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W64 | W64-G66 VanDerWaalsContact C-N 3.34Š|
| 67 | N | 38.4 | Very low | 57.7 | Low | 178 Ų | 178 | 65.9 Ų | 65.9 | 95% | 0.952 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 86.9 | 3.9 | 167 | -47.5 | -28.7 | 0 | 0 | 0 | 119 | ||
| 68 | G | 42.8 | Very low | 59.3 | Low | 66 Ų | 66 | 71.8 Ų | 71.8 | 68% | 0.68 | 45% | 0.45 | S | S | * | . | trans | -101.2 | 122.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G70 | G68-G70 VanDerWaalsContact C-N 3.32Å; G68-G70 PolarHBondContact O-N 2.95Å | ||
| 69 | D | 42.8 | Very low | 60.6 | Low | 168 Ų | 168 | 70.1 Ų | 70.1 | 90% | 0.898 | 44% | 0.435 | S | S | * | . | trans | -76.8 | 73.3 | -179.9 | -174.1 | 27.9 | 0 | 0 | 0 | 112.3 | G71 | D69-G71 PolarHBondContact O-N 3.47Š| ||
| 70 | G | 52.9 | Low | 62.1 | Low | 78 Ų | 78 | 67 Ų | 67 | 80% | 0.804 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 59.7 | 4.4 | 174 | 0 | 0 | 0 | 0 | 0 | 116.7 | G68 | G68-G70 VanDerWaalsContact C-N 3.32Å; G68-G70 PolarHBondContact O-N 2.95Å |
| 71 | G | 60.4 | Low | 63.4 | Low | 45 Ų | 45 | 66.3 Ų | 66.3 | 46% | 0.464 | 42% | 0.415 | S | S | . | . | trans | -79.8 | 157 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D69 F73 | D69-G71 PolarHBondContact O-N 3.47Å; G71-F73 PolarHBondContact O-N 2.94Å; G71-F73 VanDerWaalsContact O-N 3.13Å | ||
| 72 | M | 73 | Confident | 64.5 | Low | 32 Ų | 32 | 63.2 Ų | 63.2 | 16% | 0.158 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -67 | -9 | 178.3 | -172.9 | 148.5 | 70.8 | 0 | 0 | 114.3 | I82 S83 T84 S162 L164 V167 | M72-I82 HydrophobicContact CG-CG2 4.48Å; M72-S83 PolarHBondContact O-N 3.13Å; M72-T84 HydrophobicContact CG-CG2 3.54Å; M72-T84 HydrophobicContact SD-CG2 3.52Å; M72-T84 VanDerWaalsContact SD-CG2 3.52Å; M72-S162 VanDerWaalsContact SD-CB 3.53Å; M72-S162 PolarHBondContact SD-OG 2.83Å; M72-L164 HydrophobicContact CE-CD1 3.62Å; M72-L164 HydrophobicContact SD-CD1 3.86Å; M72-V167 HydrophobicContact CE-CB 3.57Å; M72-V167 HydrophobicContact CE-CG1 3.68Å; M72-V167 HydrophobicContact CE-CG2 3.38Å |
| 73 | F | 75 | Confident | 65.3 | Low | 58 Ų | 58 | 60 Ų | 60 | 25% | 0.254 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.7 | -177 | -51.1 | -59.6 | 0 | 0 | 0 | 112.3 | G71 Y81 I82 V167 V169 L180 | G71-F73 PolarHBondContact O-N 2.94Å; G71-F73 VanDerWaalsContact O-N 3.13Å; F73-Y81 VanDerWaalsContact CA-O 3.27Å; F73-Y81 WeakPolarHBondContact CA-O 3.27Å; F73-I82 HydrophobicContact CD1-CG1 4.46Å; F73-I82 HydrophobicContact CE1-CG1 4.33Å; F73-V167 HydrophobicContact CE2-CG1 3.92Å; F73-V167 HydrophobicContact CZ-CG1 3.87Å; F73-V169 HydrophobicContact CD2-CG2 4.47Å; F73-V169 HydrophobicContact CE2-CG2 3.52Å; F73-V169 HydrophobicContact CZ-CG2 3.68Å; F73-L180 HydrophobicContact CD1-CD1 4.37Å; F73-L180 HydrophobicContact CE1-CD1 3.36Å; F73-L180 HydrophobicContact CZ-CD1 3.57Å |
| 74 | T | 77.6 | Confident | 66 | Low | 33 Ų | 33 | 59.4 Ų | 59.4 | 20% | 0.202 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128 | 170.2 | -63.9 | 0 | 0 | 0 | 0 | 109.2 | W64 I76 N80 Y81 S83 | W64-T74 HydrophobicContact CB-CG2 4.17Å; W64-T74 HydrophobicContact CD2-CG2 4.47Å; W64-T74 HydrophobicContact CE3-CG2 4.23Å; W64-T74 HydrophobicContact CG-CG2 4.43Å; T74-I76 HydrophobicContact CG2-CD1 4.28Å; T74-I76 HydrophobicContact CG2-CG1 3.99Å; T74-N80 CarbonylContact O-C 3.56Å; T74-N80 WeakPolarHBondContact O-CA 3.48Å; T74-Y81 PolarHBondContact N-O 2.69Å; T74-Y81 PolarHBondContact O-N 3.04Å; T74-S83 WeakPolarHBondContact CB-OG 3.33Å; T74-S83 PolarHBondContact N-OG 2.94Å; T74-S83 PolarHBondContact OG1-OG 2.71Å |
| 75 | K | 78.8 | Confident | 66.7 | Low | 127 Ų | 127 | 57.8 Ų | 57.8 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.7 | 175.7 | -173.9 | 174.5 | 172.9 | 175.4 | 0 | 110.6 | G77 M79 | K75-G77 WeakPolarHBondContact CE-O 3.42Å; K75-M79 WeakPolarHBondContact CG-O 3.4Å |
| 76 | I | 76.4 | Confident | 68.1 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 103.4 | -174.5 | -61.7 | -169.3 | 0 | 0 | 0 | 108.6 | L47 W64 T74 D78 M79 Y81 S648 P649 I656 | L47-I76 HydrophobicContact CD1-CD1 3.49Å; L47-I76 VanDerWaalsContact CD1-CD1 3.49Å; W64-I76 HydrophobicContact CD2-CD1 3.73Å; W64-I76 HydrophobicContact CD2-CG1 3.93Å; W64-I76 HydrophobicContact CE3-CD1 4.18Å; W64-I76 HydrophobicContact CE3-CG1 3.83Å; W64-I76 HydrophobicContact CG-CD1 4.18Å; W64-I76 HydrophobicContact CH2-CB 4.06Å; W64-I76 HydrophobicContact CH2-CD1 4.32Å; W64-I76 HydrophobicContact CH2-CG1 3.86Å; W64-I76 HydrophobicContact CH2-CG2 3.72Å; W64-I76 HydrophobicContact CZ2-CB 4.28Å; W64-I76 HydrophobicContact CZ2-CD1 3.86Å; W64-I76 HydrophobicContact CZ2-CG1 3.92Å; W64-I76 HydrophobicContact CZ2-CG2 3.66Å; W64-I76 HydrophobicContact CZ3-CB 4.34Å; W64-I76 HydrophobicContact CZ3-CD1 4.45Å; W64-I76 HydrophobicContact CZ3-CG1 3.8Å; W64-I76 HydrophobicContact CZ3-CG2 4.47Å; T74-I76 HydrophobicContact CG2-CD1 4.28Å; T74-I76 HydrophobicContact CG2-CG1 3.99Å; I76-D78 PolarHBondContact O-N 2.98Å; I76-M79 PolarHBondContact N-O 3.33Å; I76-M79 PolarHBondContact O-N 2.8Å; I76-M79 VanDerWaalsContact O-N 3.09Å; I76-Y81 HydrophobicContact CB-CD2 3.83Å; I76-Y81 HydrophobicContact CB-CE2 3.75Å; I76-Y81 HydrophobicContact CD1-CD2 3.69Å; I76-Y81 HydrophobicContact CD1-CE2 4.03Å; I76-Y81 HydrophobicContact CD1-CG 4.42Å; I76-Y81 HydrophobicContact CG1-CD2 3.81Å; I76-Y81 HydrophobicContact CG1-CE2 4.19Å; I76-Y81 HydrophobicContact CG2-CE2 4.16Å; I76-S648 WeakPolarHBondContact CG2-O 3.44Å; I76-P649 HydrophobicContact CD1-CB 4.01Å; I76-P649 HydrophobicContact CD1-CG 4.22Å; I76-I656 HydrophobicContact CG2-CD1 3.96Å |
| 77 | G | 75.3 | Confident | 69.8 | Low | 32 Ų | 32 | 52.7 Ų | 52.7 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -128.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K75 | K75-G77 WeakPolarHBondContact CE-O 3.42Š|
| 78 | D | 74.2 | Confident | 71.9 | Confident | 136 Ų | 136 | 44.6 Ų | 44.6 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -21.5 | 173.7 | -65.4 | -53.6 | 0 | 0 | 0 | 113.7 | I76 N174 | I76-D78 PolarHBondContact O-N 2.98Å; D78-N174 PolarHBondContact O-ND2 2.8Å |
| 79 | M | 74.7 | Confident | 73.7 | Confident | 34 Ų | 34 | 42.2 Ų | 42.2 | 17% | 0.167 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 158.1 | -177.9 | -62.2 | -61 | -59.7 | 0 | 0 | 112.2 | Y45 K75 I76 Y81 N174 P175 R645 | Y45-M79 HydrophobicContact CE1-CE 4.22Å; K75-M79 WeakPolarHBondContact CG-O 3.4Å; I76-M79 PolarHBondContact N-O 3.33Å; I76-M79 PolarHBondContact O-N 2.8Å; I76-M79 VanDerWaalsContact O-N 3.09Å; M79-Y81 HydrophobicContact CB-CD2 4.5Å; M79-Y81 HydrophobicContact CB-CE2 3.79Å; M79-N174 PolarHBondContact SD-OD1 3.19Å; M79-N174 VanDerWaalsContact SD-OD1 3.36Å; M79-P175 HydrophobicContact CE-CG 3.73Å; M79-R645 HydrophobicContact CE-CG 4.1Å |
| 80 | N | 78 | Confident | 75.6 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 165.1 | 164.9 | -63.7 | -93 | 0 | 0 | 0 | 109.1 | T74 L172 N174 I176 | T74-N80 CarbonylContact O-C 3.56Å; T74-N80 WeakPolarHBondContact O-CA 3.48Å; N80-L172 HydrophobicContact CB-CD1 4.44Å; N80-L172 HydrophobicContact CB-CD2 4.19Å; N80-N174 PolarHBondContact ND2-ND2 2.57Å; N80-I176 WeakPolarHBondContact O-CD1 3.42Å |
| 81 | Y | 79.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.2 | -179.3 | -71.9 | -86.1 | 0 | 0 | 0 | 110.5 | Y45 L47 F73 T74 I76 M79 R645 S648 P649 | Y45-Y81 CarbonylContact O-C 3.56Å; Y45-Y81 WeakPolarHBondContact O-CA 3.4Å; Y45-Y81 WeakPolarHBondContact O-CD1 3.44Å; L47-Y81 HydrophobicContact CD1-CD1 4.18Å; L47-Y81 HydrophobicContact CD1-CD2 4.13Å; L47-Y81 HydrophobicContact CD1-CG 3.63Å; L47-Y81 HydrophobicContact CG-CD1 4.1Å; L47-Y81 HydrophobicContact CG-CG 4.02Å; F73-Y81 VanDerWaalsContact CA-O 3.27Å; F73-Y81 WeakPolarHBondContact CA-O 3.27Å; T74-Y81 PolarHBondContact N-O 2.69Å; T74-Y81 PolarHBondContact O-N 3.04Å; I76-Y81 HydrophobicContact CB-CD2 3.83Å; I76-Y81 HydrophobicContact CB-CE2 3.75Å; I76-Y81 HydrophobicContact CD1-CD2 3.69Å; I76-Y81 HydrophobicContact CD1-CE2 4.03Å; I76-Y81 HydrophobicContact CD1-CG 4.42Å; I76-Y81 HydrophobicContact CG1-CD2 3.81Å; I76-Y81 HydrophobicContact CG1-CE2 4.19Å; I76-Y81 HydrophobicContact CG2-CE2 4.16Å; M79-Y81 HydrophobicContact CB-CD2 4.5Å; M79-Y81 HydrophobicContact CB-CE2 3.79Å; Y81-R645 PolarHBondContact OH-O 3.32Å; Y81-S648 PolarHBondContact OH-OG 3.24Å; Y81-P649 HydrophobicContact CD1-CG 4.31Å; Y81-P649 HydrophobicContact CE1-CG 3.78Å; Y81-P649 HydrophobicContact CE2-CG 3.96Å |
| 82 | I | 79.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.3 | -177.1 | -55.5 | 166.7 | 0 | 0 | 0 | 109.2 | Y45 F46 L47 M72 F73 T84 L164 I176 L179 L180 | Y45-I82 PolarHBondContact O-N 3.14Å; F46-I82 CarbonylContact C-O 3.44Å; F46-I82 VanDerWaalsContact CA-O 3.31Å; F46-I82 WeakPolarHBondContact CA-O 3.32Å; F46-I82 HydrophobicContact CD1-CB 4.04Å; F46-I82 HydrophobicContact CD1-CG2 3.89Å; F46-I82 HydrophobicContact CD2-CD1 4.37Å; F46-I82 HydrophobicContact CE1-CB 4.25Å; F46-I82 HydrophobicContact CE1-CD1 4.37Å; F46-I82 HydrophobicContact CE1-CG2 3.79Å; F46-I82 HydrophobicContact CE2-CD1 3.98Å; F46-I82 HydrophobicContact CG-CB 4.28Å; F46-I82 HydrophobicContact CZ-CD1 3.99Å; F46-I82 HydrophobicContact CZ-CG2 4.44Å; L47-I82 PolarHBondContact N-O 3.08Å; M72-I82 HydrophobicContact CG-CG2 4.48Å; F73-I82 HydrophobicContact CD1-CG1 4.46Å; F73-I82 HydrophobicContact CE1-CG1 4.33Å; I82-T84 HydrophobicContact CG2-CG2 4.11Å; I82-T84 PolarHBondContact O-N 3.45Å; I82-L164 HydrophobicContact CD1-CD2 4.29Å; I82-L164 HydrophobicContact CG2-CD1 4.14Å; I82-L164 HydrophobicContact CG2-CD2 4.45Å; I82-I176 HydrophobicContact CG1-CD1 4.35Å; I82-I176 HydrophobicContact CG1-CG2 4.48Å; I82-L179 HydrophobicContact CD1-CD2 4.12Å; I82-L180 HydrophobicContact CD1-CD2 4.07Å |
| 83 | S | 78.4 | Confident | 78.7 | Confident | 33 Ų | 33 | 31.7 Ų | 31.7 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | trans | -98.6 | 52.2 | -169.9 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | M72 T74 | M72-S83 PolarHBondContact O-N 3.13Å; T74-S83 WeakPolarHBondContact CB-OG 3.33Å; T74-S83 PolarHBondContact N-OG 2.94Å; T74-S83 PolarHBondContact OG1-OG 2.71Å | ||
| 84 | T | 74.3 | Confident | 79.1 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -126 | 174.5 | 179.8 | 67 | 0 | 0 | 0 | 0 | 111.8 | M72 I82 | M72-T84 HydrophobicContact CG-CG2 3.54Å; M72-T84 HydrophobicContact SD-CG2 3.52Å; M72-T84 VanDerWaalsContact SD-CG2 3.52Å; I82-T84 HydrophobicContact CG2-CG2 4.11Å; I82-T84 PolarHBondContact O-N 3.45Å |
| 85 | D | 74.4 | Confident | 79.6 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 16% | 0.16 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -43.5 | 145.9 | 155.3 | -49.3 | -4 | 0 | 0 | 0 | 110.7 | K87 S158 | D85-K87 PolarHBondContact O-N 3.21Å; D85-S158 WeakPolarHBondContact OD1-CB 3.34Å; D85-S158 PolarHBondContact OD1-N 3.27Å |
| 86 | F | 80 | Confident | 79.9 | Confident | 10 Ų | 10 | 24.6 Ų | 24.6 | 4% | 0.044 | 14% | 0.143 | C | C | . | . | trans | -63.4 | 137 | 172.6 | -69.6 | -77.4 | 0 | 0 | 0 | 111.2 | L43 F46 P48 L152 L155 F190 R584 L585 | L43-F86 HydrophobicContact CB-CD1 4.19Å; L43-F86 HydrophobicContact CB-CE1 4.13Å; L43-F86 HydrophobicContact CD2-CB 4.33Å; L43-F86 HydrophobicContact CD2-CD1 3.73Å; L43-F86 HydrophobicContact CD2-CG 4.38Å; L43-F86 HydrophobicContact CG-CD1 4.45Å; F46-F86 HydrophobicContact CB-CD1 3.59Å; F46-F86 HydrophobicContact CB-CE1 3.54Å; F46-F86 HydrophobicContact CD1-CD1 4.32Å; F46-F86 HydrophobicContact CD2-CD1 4.34Å; F46-F86 AromaticContact CG-CD1 3.86Å; F46-F86 HydrophobicContact CG-CD1 3.86Å; F46-F86 HydrophobicContact CG-CE1 4.3Å; P48-F86 HydrophobicContact CB-CE2 4.29Å; P48-F86 HydrophobicContact CG-CD1 4.49Å; P48-F86 HydrophobicContact CG-CD2 3.68Å; P48-F86 HydrophobicContact CG-CE1 4.05Å; P48-F86 HydrophobicContact CG-CE2 3.11Å; P48-F86 HydrophobicContact CG-CG 4.34Å; P48-F86 HydrophobicContact CG-CZ 3.32Å; F86-L152 HydrophobicContact CB-CD2 4.03Å; F86-L152 HydrophobicContact CD2-CD2 3.57Å; F86-L152 HydrophobicContact CE2-CD2 4.42Å; F86-L152 HydrophobicContact CG-CD2 4.17Å; F86-L155 HydrophobicContact CD2-CD1 3.53Å; F86-L155 HydrophobicContact CE2-CD1 3.62Å; F86-F190 HydrophobicContact CB-CE2 4.04Å; F86-R584 HydrophobicContact CE1-CB 3.9Å; F86-R584 HydrophobicContact CZ-CB 3.63Å; F86-L585 HydrophobicContact CD2-CD1 4.18Å; F86-L585 HydrophobicContact CE1-CD2 4.39Å; F86-L585 HydrophobicContact CE2-CB 3.81Å; F86-L585 HydrophobicContact CE2-CD1 3.73Å; F86-L585 HydrophobicContact CE2-CD2 3.74Å; F86-L585 HydrophobicContact CE2-CG 3.96Å; F86-L585 HydrophobicContact CZ-CB 4.12Å; F86-L585 HydrophobicContact CZ-CD1 4.47Å; F86-L585 HydrophobicContact CZ-CD2 3.64Å; F86-L585 HydrophobicContact CZ-CG 4.28Å | ||
| 87 | K | 79.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | trans | -127.6 | 154.1 | 165.8 | -63.3 | -177.2 | -179.6 | -174.3 | 0 | 108.1 | F46 D85 S162 W187 T188 | F46-K87 HydrophobicContact CE1-CB 4.46Å; F46-K87 HydrophobicContact CZ-CB 4.36Å; D85-K87 PolarHBondContact O-N 3.21Å; K87-S162 PolarHBondContact NZ-O 3.07Å; K87-W187 HydrophobicContact CB-CB 4.09Å; K87-W187 HydrophobicContact CB-CE3 3.95Å; K87-W187 HydrophobicContact CD-CB 4.24Å; K87-W187 WeakPolarHBondContact O-CZ3 3.38Å; K87-T188 VanDerWaalsContact CA-O 3.25Å; K87-T188 WeakPolarHBondContact CA-O 3.44Å; K87-T188 WeakPolarHBondContact CB-O 3.38Å | ||
| 88 | F | 82.4 | Confident | 81.1 | Confident | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.035 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 165.5 | 176.9 | 83.3 | -72.5 | 0 | 0 | 0 | 111.3 | M38 M90 F120 T188 K189 F190 Y191 | M38-F88 HydrophobicContact CE-CD2 3.32Å; M38-F88 HydrophobicContact CE-CE2 3.4Å; M38-F88 VanDerWaalsContact CE-CE2 3.4Å; M38-F88 HydrophobicContact CE-CG 3.97Å; M38-F88 HydrophobicContact CE-CZ 4.13Å; M38-F88 HydrophobicContact CG-CD2 4.37Å; M38-F88 HydrophobicContact CG-CE2 4.15Å; M38-F88 HydrophobicContact SD-CD2 3.99Å; M38-F88 HydrophobicContact SD-CE2 3.5Å; M38-F88 WeakPolarHBondContact SD-CE2 3.29Å; M38-F88 HydrophobicContact SD-CZ 4.24Å; F88-M90 HydrophobicContact CE2-CB 4.01Å; F88-F120 HydrophobicContact CE1-CD2 4.31Å; F88-F120 HydrophobicContact CE2-CD2 4.18Å; F88-F120 HydrophobicContact CE2-CG 4.35Å; F88-F120 HydrophobicContact CZ-CB 4.12Å; F88-F120 AromaticContact CZ-CD2 3.49Å; F88-F120 HydrophobicContact CZ-CD2 3.49Å; F88-F120 VanDerWaalsContact CZ-CD2 3.49Å; F88-F120 HydrophobicContact CZ-CE2 4.1Å; F88-F120 AromaticContact CZ-CG 3.97Å; F88-F120 HydrophobicContact CZ-CG 3.97Å; F88-T188 WeakPolarHBondContact CE1-OG1 3.43Å; F88-T188 PolarHBondContact N-O 3.17Å; F88-T188 PolarHBondContact O-N 3.1Å; F88-T188 PolarHBondContact O-OG1 3.1Å; F88-T188 VanDerWaalsContact O-OG1 3.11Å; F88-K189 WeakPolarHBondContact CE1-O 3.28Å; F88-F190 HydrophobicContact CB-CE1 4.31Å; F88-F190 HydrophobicContact CB-CE2 4.17Å; F88-F190 HydrophobicContact CB-CZ 3.8Å; F88-F190 AromaticContact CD1-CD1 3.97Å; F88-F190 HydrophobicContact CD1-CD1 3.97Å; F88-F190 HydrophobicContact CD1-CD2 4.09Å; F88-F190 AromaticContact CD1-CE1 3.96Å; F88-F190 HydrophobicContact CD1-CE1 3.96Å; F88-F190 HydrophobicContact CD1-CE2 4.07Å; F88-F190 HydrophobicContact CD1-CG 4.04Å; F88-F190 HydrophobicContact CD1-CZ 4.01Å; F88-F190 HydrophobicContact CE1-CD1 4.15Å; F88-F190 HydrophobicContact CE1-CE1 4.49Å; F88-F190 HydrophobicContact CE1-CG 4.27Å; F88-F190 HydrophobicContact CG-CE1 4.08Å; F88-F190 HydrophobicContact CG-CE2 4.44Å; F88-F190 HydrophobicContact CG-CZ 4.04Å; F88-Y191 HydrophobicContact CZ-CD1 4.44Å |
| 89 | C | 80.3 | Confident | 81.8 | Confident | 17 Ų | 17 | 23.7 Ų | 23.7 | 12% | 0.115 | 14% | 0.141 | C | C | . | . | trans | -136.3 | 103.8 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | L91 F185 N186 W187 | C89-L91 PolarHBondContact SG-O 2.93Å; C89-F185 HydrophobicContact CB-CD1 4.32Å; C89-N186 PolarHBondContact SG-N 2.98Å; C89-N186 VanDerWaalsContact SG-N 3.43Å; C89-W187 HydrophobicContact CB-CE3 4.48Å; C89-W187 HydrophobicContact CB-CH2 4.46Å; C89-W187 HydrophobicContact CB-CZ3 4.42Å | ||
| 90 | M | 83.3 | Confident | 82.7 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -66.4 | -45.2 | -179.3 | -174.4 | -164.5 | 74.3 | 0 | 0 | 112 | M38 F88 M96 W101 F120 L121 | M38-M90 HydrophobicContact CG-CB 4.33Å; M38-M90 HydrophobicContact CG-CG 3.94Å; F88-M90 HydrophobicContact CE2-CB 4.01Å; M90-M96 HydrophobicContact CE-CE 4.23Å; M90-M96 HydrophobicContact CE-SD 3.88Å; M90-W101 HydrophobicContact CE-CH2 4.5Å; M90-F120 HydrophobicContact CB-CD1 3.89Å; M90-F120 HydrophobicContact CB-CE1 3.89Å; M90-F120 HydrophobicContact CE-CD1 3.77Å; M90-F120 HydrophobicContact CE-CE1 3.84Å; M90-F120 HydrophobicContact CG-CD1 4.31Å; M90-F120 HydrophobicContact SD-CB 4.5Å; M90-F120 HydrophobicContact SD-CD1 3.48Å; M90-F120 WeakPolarHBondContact SD-CD1 3.27Å; M90-F120 HydrophobicContact SD-CE1 4.09Å; M90-F120 HydrophobicContact SD-CG 4.36Å; M90-L121 HydrophobicContact CE-CD2 3.57Å; M90-L121 HydrophobicContact CE-CG 4.2Å; M90-L121 HydrophobicContact SD-CD2 4.1Å; M90-L121 HydrophobicContact SD-CG 4.07Å |
| 91 | L | 84.2 | Confident | 83.4 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -140.7 | 151.1 | 177 | -71.2 | 177.8 | 0 | 0 | 0 | 108.6 | L14 N15 C22 C89 E95 M96 W101 | L14-L91 HydrophobicContact CB-CD1 4.39Å; L14-L91 HydrophobicContact CB-CD2 4.07Å; N15-L91 HydrophobicContact CB-CD2 4.29Å; C22-L91 HydrophobicContact CB-CD2 4.48Å; C89-L91 PolarHBondContact SG-O 2.93Å; L91-E95 HydrophobicContact CB-CB 4.47Å; L91-M96 HydrophobicContact CB-SD 4.2Å; L91-M96 HydrophobicContact CD1-SD 4.26Å; L91-W101 HydrophobicContact CD1-CH2 4.03Å; L91-W101 HydrophobicContact CD1-CZ2 4.27Å |
| 92 | K | 83.7 | Confident | 84.1 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | trans | -59.9 | 146.2 | 172.3 | -75.3 | 178.2 | 168.5 | -166.5 | 0 | 110.9 | T16 S94 E95 M96 Y178 E184 F185 Y739 | T16-K92 HydrophobicContact CG2-CD 3.97Å; K92-S94 PolarHBondContact O-N 3.09Å; K92-E95 HydrophobicContact CB-CG 4.37Å; K92-E95 PolarHBondContact O-N 3.09Å; K92-M96 WeakPolarHBondContact O-CB 3.22Å; K92-M96 PolarHBondContact O-N 2.93Å; K92-Y178 PolarHBondContact NZ-OH 3.31Å; K92-E184 CarbonylContact C-O 3.48Å; K92-E184 VanDerWaalsContact CA-O 3.29Å; K92-E184 WeakPolarHBondContact CA-O 3.27Å; K92-E184 HydrophobicContact CB-CB 4.28Å; K92-E184 HydrophobicContact CD-CB 3.9Å; K92-E184 HydrophobicContact CD-CG 4.45Å; K92-E184 WeakPolarHBondContact CE-OE2 3.49Å; K92-E184 HydrophobicContact CG-CB 4.03Å; K92-E184 VanDerWaalsContact NZ-CD 3.32Å; K92-E184 IonicContact NZ-OE1 3.15Å; K92-E184 PolarHBondContact NZ-OE1 3.29Å; K92-E184 IonicContact NZ-OE2 3.91Å; K92-E184 PolarHBondContact NZ-OE2 3.26Å; K92-F185 HydrophobicContact CG-CD1 4.41Å; K92-F185 HydrophobicContact CG-CE1 4.34Å; K92-Y739 VanDerWaalsContact CD-OH 3.31Å; K92-Y739 WeakPolarHBondContact CD-OH 3.39Å | ||
| 93 | L | 83.1 | Confident | 84.8 | Confident | 78 Ų | 78 | 37.3 Ų | 37.3 | 41% | 0.408 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.5 | -33.6 | -177.5 | -175.4 | 60.8 | 0 | 0 | 0 | 112.4 | S97 E184 N186 | L93-S97 WeakPolarHBondContact O-CB 3.32Å; L93-S97 PolarHBondContact O-N 2.87Å; L93-S97 PolarHBondContact O-OG 3.14Å; L93-E184 WeakPolarHBondContact CB-O 3.4Å; L93-E184 PolarHBondContact N-O 2.87Å; L93-N186 HydrophobicContact CB-CB 4.36Å; L93-N186 HydrophobicContact CD1-CB 4.35Å |
| 94 | S | 83.9 | Confident | 85.7 | Confident | 45 Ų | 45 | 36 Ų | 36 | 32% | 0.315 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 172.2 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | K92 S97 S98 Y739 | K92-S94 PolarHBondContact O-N 3.09Å; S94-S97 PolarHBondContact O-OG 3.23Å; S94-S98 WeakPolarHBondContact O-CB 3.37Å; S94-S98 PolarHBondContact O-N 3.26Å; S94-S98 PolarHBondContact O-OG 2.83Å; S94-Y739 PolarHBondContact OG-OH 3.08Å |
| 95 | E | 86.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.5 | -50.2 | 179.6 | -49.4 | -46.4 | 108.8 | 0 | 0 | 109.8 | R12 L91 K92 S97 S98 I99 Y739 H740 | R12-E95 IonicContact CZ-OE2 3.08Å; R12-E95 IonicContact NE-OE2 3.08Å; R12-E95 IonicContact NH2-OE2 3.32Å; R12-E95 PolarHBondContact NH2-OE2 3.38Å; L91-E95 HydrophobicContact CB-CB 4.47Å; K92-E95 HydrophobicContact CB-CG 4.37Å; K92-E95 PolarHBondContact O-N 3.09Å; E95-S97 PolarHBondContact O-N 3.11Å; E95-S98 WeakPolarHBondContact CA-OG 3.49Å; E95-S98 PolarHBondContact O-N 3.37Å; E95-S98 PolarHBondContact O-OG 3.08Å; E95-I99 WeakPolarHBondContact O-CD1 3.25Å; E95-I99 WeakPolarHBondContact O-CG1 3.26Å; E95-I99 PolarHBondContact O-N 3.39Å; E95-Y739 HydrophobicContact CG-CE2 3.79Å; E95-Y739 WeakPolarHBondContact CG-OH 3.32Å; E95-Y739 PolarHBondContact OE1-OH 2.83Å; E95-H740 IonicContact OE1-CE1 2.95Å; E95-H740 IonicContact OE1-CG 2.67Å; E95-H740 IonicContact OE1-ND1 2.74Å; E95-H740 PolarHBondContact OE1-ND1 3.13Å; E95-H740 IonicContact OE2-CE1 2.93Å; E95-H740 IonicContact OE2-CG 3.78Å; E95-H740 IonicContact OE2-ND1 3.66Å; E95-H740 PolarHBondContact OE2-ND1 3.46Å |
| 96 | M | 86.7 | Confident | 87.9 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -36 | -174.7 | -159 | 69.9 | -158.7 | 0 | 0 | 113 | M90 L91 K92 W101 F120 L121 T125 | M90-M96 HydrophobicContact CE-CE 4.23Å; M90-M96 HydrophobicContact CE-SD 3.88Å; L91-M96 HydrophobicContact CB-SD 4.2Å; L91-M96 HydrophobicContact CD1-SD 4.26Å; K92-M96 WeakPolarHBondContact O-CB 3.22Å; K92-M96 PolarHBondContact O-N 2.93Å; M96-W101 HydrophobicContact CE-CH2 4.38Å; M96-W101 HydrophobicContact CE-CZ2 3.64Å; M96-W101 PolarHBondContact O-NE1 3.21Å; M96-W101 HydrophobicContact SD-CH2 4.4Å; M96-W101 HydrophobicContact SD-CZ2 3.61Å; M96-F120 HydrophobicContact CE-CD1 4.42Å; M96-F120 HydrophobicContact CE-CE1 3.68Å; M96-F120 HydrophobicContact CE-CZ 4.49Å; M96-F120 HydrophobicContact SD-CE1 4.04Å; M96-L121 HydrophobicContact CE-CD2 4.26Å; M96-T125 HydrophobicContact CE-CG2 3.26Å |
| 97 | S | 86.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 36 Ų | 36 | 63% | 0.629 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -90.7 | -15.4 | 177.4 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | L93 S94 E95 I99 | L93-S97 WeakPolarHBondContact O-CB 3.32Å; L93-S97 PolarHBondContact O-N 2.87Å; L93-S97 PolarHBondContact O-OG 3.14Å; S94-S97 PolarHBondContact O-OG 3.23Å; E95-S97 PolarHBondContact O-N 3.11Å; S97-I99 VanDerWaalsContact C-N 3.32Å |
| 98 | S | 88.8 | Confident | 89.6 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 33% | 0.329 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -84 | -4.8 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 114.5 | R12 S94 E95 | R12-S98 PolarHBondContact NH1-OG 3.03Å; R12-S98 PolarHBondContact NH2-OG 3.21Å; S94-S98 WeakPolarHBondContact O-CB 3.37Å; S94-S98 PolarHBondContact O-N 3.26Å; S94-S98 PolarHBondContact O-OG 2.83Å; E95-S98 WeakPolarHBondContact CA-OG 3.49Å; E95-S98 PolarHBondContact O-N 3.37Å; E95-S98 PolarHBondContact O-OG 3.08Å |
| 99 | I | 90.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.067 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -109.8 | 126.6 | -175.9 | -64.2 | 163.9 | 0 | 0 | 0 | 108.8 | L14 E95 S97 W101 I104 | L14-I99 HydrophobicContact CD1-CD1 3.58Å; L14-I99 HydrophobicContact CD2-CD1 3.9Å; L14-I99 HydrophobicContact CG-CD1 4.34Å; E95-I99 WeakPolarHBondContact O-CD1 3.25Å; E95-I99 WeakPolarHBondContact O-CG1 3.26Å; E95-I99 PolarHBondContact O-N 3.39Å; S97-I99 VanDerWaalsContact C-N 3.32Å; I99-W101 HydrophobicContact CB-CD2 4.45Å; I99-W101 HydrophobicContact CB-CZ2 4.09Å; I99-W101 HydrophobicContact CD1-CH2 4Å; I99-W101 HydrophobicContact CD1-CZ2 3.7Å; I99-W101 HydrophobicContact CG2-CD2 3.77Å; I99-W101 HydrophobicContact CG2-CE3 4.2Å; I99-W101 HydrophobicContact CG2-CG 4.1Å; I99-W101 HydrophobicContact CG2-CH2 4.42Å; I99-W101 HydrophobicContact CG2-CZ2 4.04Å; I99-W101 HydrophobicContact CG2-CZ3 4.49Å; I99-W101 PolarHBondContact O-N 3.19Å; I99-W101 PolarHBondContact O-NE1 2.71Å; I99-I104 HydrophobicContact CG2-CD1 3.88Å; I99-I104 HydrophobicContact CG2-CG1 4.49Å |
| 100 | F | 92.6 | Very high | 91.2 | Very high | 148 Ų | 148 | 34 Ų | 34 | 65% | 0.649 | 19% | 0.186 | S | C | * | . | trans | -83.4 | 93.6 | 167 | -60.6 | -74.7 | 0 | 0 | 0 | 108.1 | E102 T103 | F100-E102 PolarHBondContact O-N 3.48Å; F100-E102 VanDerWaalsContact O-N 3.16Å; F100-T103 HydrophobicContact CB-CG2 3.99Å; F100-T103 PolarHBondContact O-N 3.21Å; F100-T103 PolarHBondContact O-OG1 3.21Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å | ||
| 101 | W | 93.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -62.7 | -21.8 | -175.1 | -63.5 | 90.8 | 0 | 0 | 0 | 112.8 | L33 M90 L91 M96 I99 T103 I104 L121 T125 F127 | L33-W101 HydrophobicContact CD2-CZ3 4.16Å; M90-W101 HydrophobicContact CE-CH2 4.5Å; L91-W101 HydrophobicContact CD1-CH2 4.03Å; L91-W101 HydrophobicContact CD1-CZ2 4.27Å; M96-W101 HydrophobicContact CE-CH2 4.38Å; M96-W101 HydrophobicContact CE-CZ2 3.64Å; M96-W101 PolarHBondContact O-NE1 3.21Å; M96-W101 HydrophobicContact SD-CH2 4.4Å; M96-W101 HydrophobicContact SD-CZ2 3.61Å; I99-W101 HydrophobicContact CB-CD2 4.45Å; I99-W101 HydrophobicContact CB-CZ2 4.09Å; I99-W101 HydrophobicContact CD1-CH2 4Å; I99-W101 HydrophobicContact CD1-CZ2 3.7Å; I99-W101 HydrophobicContact CG2-CD2 3.77Å; I99-W101 HydrophobicContact CG2-CE3 4.2Å; I99-W101 HydrophobicContact CG2-CG 4.1Å; I99-W101 HydrophobicContact CG2-CH2 4.42Å; I99-W101 HydrophobicContact CG2-CZ2 4.04Å; I99-W101 HydrophobicContact CG2-CZ3 4.49Å; I99-W101 PolarHBondContact O-N 3.19Å; I99-W101 PolarHBondContact O-NE1 2.71Å; W101-T103 PolarHBondContact O-N 3.21Å; W101-I104 HydrophobicContact CD2-CD1 4.44Å; W101-I104 HydrophobicContact CE3-CD1 3.63Å; W101-I104 HydrophobicContact CZ3-CD1 3.83Å; W101-I104 PolarHBondContact O-N 3.07Å; W101-L121 HydrophobicContact CE3-CD2 3.81Å; W101-L121 HydrophobicContact CH2-CD2 3.62Å; W101-L121 HydrophobicContact CZ2-CD2 4.32Å; W101-L121 HydrophobicContact CZ3-CD1 4.36Å; W101-L121 HydrophobicContact CZ3-CD2 3.32Å; W101-L121 HydrophobicContact CZ3-CG 4.48Å; W101-T125 HydrophobicContact CB-CG2 4.49Å; W101-T125 HydrophobicContact CD2-CG2 3.83Å; W101-T125 HydrophobicContact CE3-CG2 4.34Å; W101-T125 HydrophobicContact CG-CG2 3.86Å; W101-F127 HydrophobicContact CB-CB 4.48Å; W101-F127 WeakPolarHBondContact O-CA 3.46Å |
| 102 | E | 94.1 | Very high | 92.2 | Very high | 98 Ų | 98 | 34.4 Ų | 34.4 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -65.3 | -21 | 170.7 | -57.6 | 87.4 | 165.7 | 0 | 0 | 113.9 | F100 N126 | F100-E102 PolarHBondContact O-N 3.48Å; F100-E102 VanDerWaalsContact O-N 3.16Å; E102-N126 HydrophobicContact CG-CB 3.67Å; E102-N126 WeakPolarHBondContact OE1-CB 3.47Å; E102-N126 PolarHBondContact OE1-ND2 3.42Å |
| 103 | T | 94 | Very high | 92.6 | Very high | 76 Ų | 76 | 36 Ų | 36 | 47% | 0.466 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -103.9 | 13.4 | -178.4 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | N31 F100 W101 | N31-T103 VanDerWaalsContact CB-O 3.27Å; N31-T103 WeakPolarHBondContact CB-O 3.11Å; N31-T103 PolarHBondContact ND2-O 3.29Å; F100-T103 HydrophobicContact CB-CG2 3.99Å; F100-T103 PolarHBondContact O-N 3.21Å; F100-T103 PolarHBondContact O-OG1 3.21Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å; W101-T103 PolarHBondContact O-N 3.21Å |
| 104 | I | 96.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -91.9 | 112.2 | 168.7 | -59.4 | -179.2 | 0 | 0 | 0 | 107.4 | L24 L33 I99 W101 V106 I107 F127 G129 | L24-I104 HydrophobicContact CD1-CD1 4.3Å; L24-I104 HydrophobicContact CD1-CG1 4.24Å; L33-I104 HydrophobicContact CB-CD1 4.49Å; L33-I104 HydrophobicContact CB-CG2 3.98Å; L33-I104 HydrophobicContact CD1-CD1 4.42Å; I99-I104 HydrophobicContact CG2-CD1 3.88Å; I99-I104 HydrophobicContact CG2-CG1 4.49Å; W101-I104 HydrophobicContact CD2-CD1 4.44Å; W101-I104 HydrophobicContact CE3-CD1 3.63Å; W101-I104 HydrophobicContact CZ3-CD1 3.83Å; W101-I104 PolarHBondContact O-N 3.07Å; I104-V106 WeakPolarHBondContact CG2-O 3.32Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å; I104-F127 HydrophobicContact CB-CD2 4.1Å; I104-F127 HydrophobicContact CB-CE2 4.09Å; I104-F127 HydrophobicContact CG2-CD2 4.34Å; I104-F127 HydrophobicContact CG2-CE2 3.9Å; I104-F127 WeakPolarHBondContact O-CE2 3.01Å; I104-G129 WeakPolarHBondContact O-CA 3.33Å | ||
| 105 | D | 96.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 30.1 Ų | 30.1 | 27% | 0.267 | 16% | 0.16 | S | C | . | . | trans | -77.4 | -34.4 | -174.9 | -53.2 | -75.5 | 0 | 0 | 0 | 111.5 | V30 N31 G129 K130 F215 | V30-D105 HydrophobicContact CG1-CB 4.05Å; N31-D105 WeakPolarHBondContact CB-OD2 3.28Å; N31-D105 PolarHBondContact N-OD2 3.25Å; N31-D105 PolarHBondContact ND2-OD2 2.7Å; N31-D105 PolarHBondContact O-N 3.23Å; D105-G129 CarbonylContact O-C 3.3Å; D105-G129 WeakPolarHBondContact O-CA 3.5Å; D105-K130 PolarHBondContact O-N 2.96Å; D105-F215 HydrophobicContact CB-CE2 3.96Å; D105-F215 HydrophobicContact CB-CZ 4.21Å | ||
| 106 | V | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 141.4 | -175.2 | 177.9 | 0 | 0 | 0 | 0 | 112 | N31 L32 L33 I104 L108 K130 F132 L214 F215 | N31-V106 PolarHBondContact O-N 3.45Å; L32-V106 CarbonylContact C-O 3.49Å; L32-V106 WeakPolarHBondContact CA-O 3.39Å; L32-V106 HydrophobicContact CD2-CB 3.74Å; L32-V106 HydrophobicContact CD2-CG1 4.27Å; L32-V106 HydrophobicContact CD2-CG2 4.3Å; L33-V106 PolarHBondContact N-O 3.13Å; I104-V106 WeakPolarHBondContact CG2-O 3.32Å; V106-L108 HydrophobicContact CG1-CD2 3.62Å; V106-L108 HydrophobicContact CG1-CG 4.18Å; V106-K130 CarbonylContact C-O 3.6Å; V106-K130 VanDerWaalsContact CA-O 3.27Å; V106-K130 WeakPolarHBondContact CA-O 3.37Å; V106-F132 HydrophobicContact CG1-CD2 3.48Å; V106-F132 VanDerWaalsContact CG1-CD2 3.48Å; V106-F132 HydrophobicContact CG1-CE2 3.7Å; V106-F132 HydrophobicContact CG2-CE2 4.14Å; V106-L214 HydrophobicContact CG2-CD1 4.11Å; V106-L214 HydrophobicContact CG2-CD2 4.07Å; V106-F215 HydrophobicContact CG2-CE2 4.14Å; V106-F215 HydrophobicContact CG2-CZ 4.39Å |
| 107 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.9 | 161.9 | -52.4 | 177.4 | 0 | 0 | 0 | 108.7 | L33 I104 V109 L118 L121 F127 K130 V131 F132 | L33-I107 HydrophobicContact CB-CB 4.37Å; L33-I107 HydrophobicContact CB-CG1 4.01Å; L33-I107 HydrophobicContact CB-CG2 4.27Å; L33-I107 HydrophobicContact CD2-CD1 4.06Å; L33-I107 HydrophobicContact CD2-CG1 4.01Å; L33-I107 HydrophobicContact CD2-CG2 4.16Å; L33-I107 CarbonylContact O-C 3.5Å; L33-I107 WeakPolarHBondContact O-CA 3.47Å; I104-I107 HydrophobicContact CG2-CG1 4.43Å; I107-V109 HydrophobicContact CG2-CG2 4.29Å; I107-L118 HydrophobicContact CD1-CD2 4.03Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; I107-L121 HydrophobicContact CD1-CD1 3.93Å; I107-F127 HydrophobicContact CD1-CD1 4.2Å; I107-F127 HydrophobicContact CD1-CD2 4.33Å; I107-F127 HydrophobicContact CD1-CE1 3.75Å; I107-F127 HydrophobicContact CD1-CE2 3.89Å; I107-F127 HydrophobicContact CD1-CG 4.47Å; I107-F127 HydrophobicContact CD1-CZ 3.58Å; I107-F127 HydrophobicContact CG1-CE1 4.24Å; I107-F127 HydrophobicContact CG1-CE2 3.76Å; I107-F127 HydrophobicContact CG1-CZ 3.56Å; I107-K130 PolarHBondContact N-O 3.34Å; I107-V131 HydrophobicContact CB-CG1 4.22Å; I107-V131 HydrophobicContact CB-CG2 4.2Å; I107-V131 HydrophobicContact CD1-CG2 4.17Å; I107-V131 HydrophobicContact CG1-CG2 4.43Å; I107-V131 HydrophobicContact CG2-CG1 4.47Å; I107-V131 WeakPolarHBondContact O-CA 3.4Å; I107-F132 PolarHBondContact O-N 3.36Å |
| 108 | L | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.5 | 172 | -59.7 | -174.2 | 0 | 0 | 0 | 109.5 | L33 L34 D35 V106 F132 I220 W234 I236 | L33-L108 PolarHBondContact O-N 2.98Å; L34-L108 HydrophobicContact CD2-CB 4.19Å; L34-L108 HydrophobicContact CD2-CD1 3.82Å; L34-L108 HydrophobicContact CD2-CG 4.26Å; D35-L108 PolarHBondContact N-O 2.59Å; V106-L108 HydrophobicContact CG1-CD2 3.62Å; V106-L108 HydrophobicContact CG1-CG 4.18Å; L108-F132 HydrophobicContact CD2-CB 4.07Å; L108-F132 HydrophobicContact CD2-CD2 4.02Å; L108-F132 HydrophobicContact CD2-CG 4.49Å; L108-I220 HydrophobicContact CD1-CG2 4.33Å; L108-I220 HydrophobicContact CD2-CD1 3.55Å; L108-W234 HydrophobicContact CB-CD2 4.21Å; L108-W234 HydrophobicContact CB-CG 4.24Å; L108-W234 HydrophobicContact CD1-CB 4.19Å; L108-W234 HydrophobicContact CD1-CD2 4.13Å; L108-W234 HydrophobicContact CD1-CE3 4.41Å; L108-W234 HydrophobicContact CD1-CG 4.05Å; L108-W234 HydrophobicContact CD2-CD2 4.43Å; L108-W234 HydrophobicContact CD2-CE3 4.39Å; L108-W234 HydrophobicContact CD2-CZ3 4.45Å; L108-W234 HydrophobicContact CG-CD2 4.5Å; L108-I236 HydrophobicContact CD1-CD1 4.1Å; L108-I236 HydrophobicContact CD1-CG1 4.23Å |
| 109 | V | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -110 | 116.9 | -176.6 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | I107 I115 L118 V131 F132 A133 V137 W234 | I107-V109 HydrophobicContact CG2-CG2 4.29Å; V109-I115 HydrophobicContact CG1-CD1 3.77Å; V109-I115 HydrophobicContact CG1-CG1 4.02Å; V109-L118 HydrophobicContact CG2-CD1 4.18Å; V109-V131 HydrophobicContact CG2-CG1 3.64Å; V109-F132 WeakPolarHBondContact CB-O 3.45Å; V109-F132 PolarHBondContact N-O 2.91Å; V109-A133 HydrophobicContact CB-CB 3.87Å; V109-A133 HydrophobicContact CG1-CB 4.4Å; V109-A133 HydrophobicContact CG2-CB 4.37Å; V109-V137 HydrophobicContact CG1-CG1 3.97Å; V109-W234 PolarHBondContact O-NE1 2.94Å | ||
| 110 | S | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | trans | -96.4 | -23.1 | -169.9 | -42.3 | 0 | 0 | 0 | 0 | 113.4 | D35 S231 C232 | D35-S110 VanDerWaalsContact CG-OG 3.26Å; D35-S110 WeakPolarHBondContact OD1-CB 3.35Å; D35-S110 PolarHBondContact OD1-N 2.85Å; D35-S110 PolarHBondContact OD1-OG 2.89Å; D35-S110 WeakPolarHBondContact OD2-CB 3.4Å; D35-S110 PolarHBondContact OD2-OG 3.01Å; S110-S231 CarbonylContact O-C 3.56Å; S110-S231 WeakPolarHBondContact O-CA 3.36Å; S110-C232 VanDerWaalsContact CB-O 3.28Å; S110-C232 WeakPolarHBondContact CB-O 3.49Å; S110-C232 PolarHBondContact O-N 3.3Å | ||
| 111 | N | 94.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -157.2 | 166.9 | -170.5 | 71 | 85.3 | 0 | 0 | 0 | 112.2 | D35 R113 S114 V137 S247 H248 | D35-N111 PolarHBondContact OD2-ND2 3.26Å; N111-R113 PolarHBondContact O-N 3.47Å; N111-R113 WeakPolarHBondContact OD1-CA 3.34Å; N111-R113 WeakPolarHBondContact OD1-CB 3.47Å; N111-R113 PolarHBondContact OD1-N 2.91Å; N111-S114 PolarHBondContact ND2-OG 2.89Å; N111-S114 WeakPolarHBondContact O-CB 3.32Å; N111-S114 PolarHBondContact O-N 2.88Å; N111-S114 VanDerWaalsContact O-N 3.13Å; N111-S114 PolarHBondContact OD1-N 3.27Å; N111-V137 WeakPolarHBondContact O-CG1 3.3Å; N111-S247 PolarHBondContact ND2-OG 3.46Å; N111-H248 HydrophobicContact CB-CB 4.26Å; N111-H248 PolarHBondContact ND2-CE1 2.73Å; N111-H248 PolarHBondContact ND2-ND1 2.9Å; N111-H248 VanDerWaalsContact ND2-ND1 3.12Å |
| 112 | T | 94.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 13% | 0.129 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -58.6 | -37.7 | -176.5 | -42.1 | 0 | 0 | 0 | 0 | 114.6 | S114 I115 F140 G141 L144 | T112-S114 VanDerWaalsContact C-N 3.3Å; T112-S114 PolarHBondContact O-N 2.67Å; T112-I115 PolarHBondContact O-N 3.03Å; T112-F140 HydrophobicContact CG2-CB 3.57Å; T112-G141 VanDerWaalsContact CG2-N 3.33Å; T112-L144 HydrophobicContact CG2-CD1 3.77Å; T112-L144 HydrophobicContact CG2-CG 4.29Å |
| 113 | R | 91.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 16.9 Ų | 16.9 | 16% | 0.162 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -70.6 | -26.1 | 178.6 | -73 | -169.4 | 176.9 | 115.1 | -7.1 | 112.1 | N111 I115 L116 Y227 D624 E685 | N111-R113 PolarHBondContact O-N 3.47Å; N111-R113 WeakPolarHBondContact OD1-CA 3.34Å; N111-R113 WeakPolarHBondContact OD1-CB 3.47Å; N111-R113 PolarHBondContact OD1-N 2.91Å; R113-I115 VanDerWaalsContact C-N 3.28Å; R113-I115 PolarHBondContact O-N 3.25Å; R113-L116 HydrophobicContact CB-CD1 4.37Å; R113-L116 WeakPolarHBondContact O-CB 3.2Å; R113-L116 PolarHBondContact O-N 3.18Å; R113-Y227 PolarHBondContact NH1-OH 3.47Å; R113-D624 IonicContact CZ-OD1 2.79Å; R113-D624 IonicContact CZ-OD2 3.64Å; R113-D624 IonicContact NE-OD1 3.12Å; R113-D624 PolarHBondContact NE-OD1 2.98Å; R113-D624 IonicContact NE-OD2 3.56Å; R113-D624 IonicContact NH2-OD1 3.57Å; R113-D624 PolarHBondContact NH2-OD1 2.79Å; R113-D624 IonicContact NH2-OD2 2.89Å; R113-D624 PolarHBondContact NH2-OD2 3.37Å; R113-E685 IonicContact CZ-OE1 3.39Å; R113-E685 IonicContact NH1-OE1 2.72Å; R113-E685 PolarHBondContact NH1-OE1 2.89Å; R113-E685 IonicContact NH2-OE1 3.24Å |
| 114 | S | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -69.3 | -22.8 | 177 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | D35 C36 C37 N111 T112 L116 | D35-S114 WeakPolarHBondContact CB-OG 3.32Å; D35-S114 PolarHBondContact OD1-OG 3.48Å; C36-S114 PolarHBondContact SG-O 2.86Å; C37-S114 PolarHBondContact SG-OG 3.03Å; N111-S114 PolarHBondContact ND2-OG 2.89Å; N111-S114 WeakPolarHBondContact O-CB 3.32Å; N111-S114 PolarHBondContact O-N 2.88Å; N111-S114 VanDerWaalsContact O-N 3.13Å; N111-S114 PolarHBondContact OD1-N 3.27Å; T112-S114 VanDerWaalsContact C-N 3.3Å; T112-S114 PolarHBondContact O-N 2.67Å; S114-L116 PolarHBondContact O-N 3.03Å |
| 115 | I | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -63.8 | -29.6 | 174 | -65.5 | -72.1 | 0 | 0 | 0 | 111.8 | V109 T112 R113 G117 L118 V137 V138 I145 L200 I203 | V109-I115 HydrophobicContact CG1-CD1 3.77Å; V109-I115 HydrophobicContact CG1-CG1 4.02Å; T112-I115 PolarHBondContact O-N 3.03Å; R113-I115 VanDerWaalsContact C-N 3.28Å; R113-I115 PolarHBondContact O-N 3.25Å; I115-G117 VanDerWaalsContact C-N 3.27Å; I115-G117 PolarHBondContact O-N 3.44Å; I115-L118 HydrophobicContact CD1-CD1 3.84Å; I115-L118 PolarHBondContact O-N 3.47Å; I115-V137 HydrophobicContact CD1-CG1 4.12Å; I115-V137 HydrophobicContact CG1-CG1 3.76Å; I115-V138 HydrophobicContact CD1-CG2 4.1Å; I115-I145 HydrophobicContact CG2-CD1 3.84Å; I115-L200 HydrophobicContact CG2-CD2 3.71Å; I115-I203 HydrophobicContact CD1-CD1 3.79Å |
| 116 | L | 92.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 4% | 0.037 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -57.5 | -35.8 | -175.6 | -68.3 | 164.3 | 0 | 0 | 0 | 113.2 | M38 L40 R113 S114 P119 L144 I145 Y191 | M38-L116 HydrophobicContact CB-CB 4.3Å; M38-L116 HydrophobicContact CG-CB 4.44Å; M38-L116 VanDerWaalsContact SD-C 3.53Å; M38-L116 HydrophobicContact SD-CB 4.12Å; L40-L116 HydrophobicContact CD1-CD1 4.12Å; R113-L116 HydrophobicContact CB-CD1 4.37Å; R113-L116 WeakPolarHBondContact O-CB 3.2Å; R113-L116 PolarHBondContact O-N 3.18Å; S114-L116 PolarHBondContact O-N 3.03Å; L116-P119 WeakPolarHBondContact O-CD 3.4Å; L116-L144 HydrophobicContact CD2-CB 4.21Å; L116-I145 HydrophobicContact CD2-CG1 3.81Å; L116-Y191 VanDerWaalsContact O-CE1 3.24Å; L116-Y191 WeakPolarHBondContact O-CE1 3.24Å; L116-Y191 PolarHBondContact O-OH 2.6Å |
| 117 | G | 92.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -80.1 | -19.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C36 I115 F120 L121 | C36-G117 WeakPolarHBondContact O-CA 3.33Å; C36-G117 PolarHBondContact O-N 3.2Å; I115-G117 VanDerWaalsContact C-N 3.27Å; I115-G117 PolarHBondContact O-N 3.44Å; G117-F120 PolarHBondContact O-N 2.84Å; G117-L121 PolarHBondContact O-N 3.01Å; G117-L121 VanDerWaalsContact O-N 3.15Å |
| 118 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | -174.4 | -68.1 | 174 | 0 | 0 | 0 | 113.8 | C36 I107 V109 I115 F120 L121 F122 V131 A199 I203 | C36-L118 VanDerWaalsContact SG-CD2 3.57Å; I107-L118 HydrophobicContact CD1-CD2 4.03Å; I107-L118 HydrophobicContact CG2-CD2 4.24Å; V109-L118 HydrophobicContact CG2-CD1 4.18Å; I115-L118 HydrophobicContact CD1-CD1 3.84Å; I115-L118 PolarHBondContact O-N 3.47Å; L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 2.69Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 2.93Å; L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 3.37Å; L118-V131 HydrophobicContact CD1-CG1 3.97Å; L118-V131 HydrophobicContact CD2-CG1 3.97Å; L118-V131 HydrophobicContact CD2-CG2 4.36Å; L118-A199 HydrophobicContact CB-CB 4.4Å; L118-I203 HydrophobicContact CD1-CD1 3.59Å; L118-I203 HydrophobicContact CD1-CG1 4.25Å |
| 119 | P | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -31 | -177.7 | -20 | 33.6 | 0 | 0 | 0 | 113.1 | L116 F122 E123 I145 Y191 V196 A199 | L116-P119 WeakPolarHBondContact O-CD 3.4Å; P119-F122 PolarHBondContact O-N 3.05Å; P119-E123 VanDerWaalsContact O-CB 3.3Å; P119-E123 WeakPolarHBondContact O-CB 3.36Å; P119-E123 PolarHBondContact O-N 3.2Å; P119-I145 HydrophobicContact CG-CD1 4.09Å; P119-Y191 HydrophobicContact CB-CD1 3.76Å; P119-Y191 HydrophobicContact CB-CD2 3.69Å; P119-Y191 HydrophobicContact CB-CE1 3.95Å; P119-Y191 HydrophobicContact CB-CE2 3.91Å; P119-Y191 HydrophobicContact CB-CG 3.59Å; P119-Y191 HydrophobicContact CG-CD1 4.45Å; P119-Y191 HydrophobicContact CG-CD2 4.21Å; P119-Y191 HydrophobicContact CG-CE1 4.14Å; P119-Y191 HydrophobicContact CG-CE2 3.91Å; P119-Y191 HydrophobicContact CG-CG 4.45Å; P119-V196 HydrophobicContact CB-CG2 4.1Å; P119-V196 HydrophobicContact CG-CB 4.41Å; P119-V196 HydrophobicContact CG-CG2 4Å; P119-A199 HydrophobicContact CB-CB 4.13Å; P119-A199 HydrophobicContact CG-CB 4.06Å |
| 120 | F | 91.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 170.3 | 178.9 | -97.7 | 0 | 0 | 0 | 111.6 | F88 M90 M96 G117 L118 F122 E123 N124 T188 Y191 | F88-F120 HydrophobicContact CE1-CD2 4.31Å; F88-F120 HydrophobicContact CE2-CD2 4.18Å; F88-F120 HydrophobicContact CE2-CG 4.35Å; F88-F120 HydrophobicContact CZ-CB 4.12Å; F88-F120 AromaticContact CZ-CD2 3.49Å; F88-F120 HydrophobicContact CZ-CD2 3.49Å; F88-F120 VanDerWaalsContact CZ-CD2 3.49Å; F88-F120 HydrophobicContact CZ-CE2 4.1Å; F88-F120 AromaticContact CZ-CG 3.97Å; F88-F120 HydrophobicContact CZ-CG 3.97Å; M90-F120 HydrophobicContact CB-CD1 3.89Å; M90-F120 HydrophobicContact CB-CE1 3.89Å; M90-F120 HydrophobicContact CE-CD1 3.77Å; M90-F120 HydrophobicContact CE-CE1 3.84Å; M90-F120 HydrophobicContact CG-CD1 4.31Å; M90-F120 HydrophobicContact SD-CB 4.5Å; M90-F120 HydrophobicContact SD-CD1 3.48Å; M90-F120 WeakPolarHBondContact SD-CD1 3.27Å; M90-F120 HydrophobicContact SD-CE1 4.09Å; M90-F120 HydrophobicContact SD-CG 4.36Å; M96-F120 HydrophobicContact CE-CD1 4.42Å; M96-F120 HydrophobicContact CE-CE1 3.68Å; M96-F120 HydrophobicContact CE-CZ 4.49Å; M96-F120 HydrophobicContact SD-CE1 4.04Å; G117-F120 PolarHBondContact O-N 2.84Å; L118-F120 VanDerWaalsContact C-N 3.27Å; L118-F120 PolarHBondContact O-N 2.69Å; F120-F122 VanDerWaalsContact C-N 3.33Å; F120-F122 PolarHBondContact O-N 3.2Å; F120-E123 PolarHBondContact O-N 3.18Å; F120-N124 HydrophobicContact CD2-CB 4.27Å; F120-N124 WeakPolarHBondContact CD2-OD1 3.36Å; F120-N124 HydrophobicContact CE2-CB 4.1Å; F120-N124 WeakPolarHBondContact CE2-OD1 3.43Å; F120-N124 HydrophobicContact CZ-CB 4.25Å; F120-N124 VanDerWaalsContact O-CB 3.31Å; F120-N124 WeakPolarHBondContact O-CB 3.43Å; F120-N124 PolarHBondContact O-N 3.43Å; F120-N124 PolarHBondContact O-OD1 2.84Å; F120-T188 HydrophobicContact CE2-CG2 4.09Å; F120-Y191 HydrophobicContact CB-CD1 4Å; F120-Y191 HydrophobicContact CB-CE1 4.41Å |
| 121 | L | 92.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 176 | -70 | 177.8 | 0 | 0 | 0 | 112.3 | L33 C36 M90 M96 W101 I107 G117 L118 T125 | L33-L121 HydrophobicContact CD2-CD1 4.03Å; C36-L121 HydrophobicContact CB-CD1 3.97Å; M90-L121 HydrophobicContact CE-CD2 3.57Å; M90-L121 HydrophobicContact CE-CG 4.2Å; M90-L121 HydrophobicContact SD-CD2 4.1Å; M90-L121 HydrophobicContact SD-CG 4.07Å; M96-L121 HydrophobicContact CE-CD2 4.26Å; W101-L121 HydrophobicContact CE3-CD2 3.81Å; W101-L121 HydrophobicContact CH2-CD2 3.62Å; W101-L121 HydrophobicContact CZ2-CD2 4.32Å; W101-L121 HydrophobicContact CZ3-CD1 4.36Å; W101-L121 HydrophobicContact CZ3-CD2 3.32Å; W101-L121 HydrophobicContact CZ3-CG 4.48Å; I107-L121 HydrophobicContact CD1-CD1 3.93Å; G117-L121 PolarHBondContact O-N 3.01Å; G117-L121 VanDerWaalsContact O-N 3.15Å; L118-L121 WeakPolarHBondContact O-CB 3.47Å; L118-L121 PolarHBondContact O-N 2.93Å; L121-T125 HydrophobicContact CD2-CG2 4.03Å; L121-T125 WeakPolarHBondContact O-CB 3.48Å; L121-T125 PolarHBondContact O-N 3.3Å; L121-T125 PolarHBondContact O-OG1 2.75Å |
| 122 | F | 91.7 | Very high | 93.4 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -75.1 | -28.1 | 177.4 | -81.9 | -81.7 | 0 | 0 | 0 | 114.3 | L118 P119 F120 F127 V131 A199 N202 | L118-F122 WeakPolarHBondContact O-CD2 3.26Å; L118-F122 PolarHBondContact O-N 3.37Å; P119-F122 PolarHBondContact O-N 3.05Å; F120-F122 VanDerWaalsContact C-N 3.33Å; F120-F122 PolarHBondContact O-N 3.2Å; F122-F127 HydrophobicContact CE1-CD1 4.14Å; F122-F127 HydrophobicContact CE1-CE1 4.36Å; F122-F127 HydrophobicContact CE2-CD1 4.47Å; F122-F127 HydrophobicContact CE2-CE1 4.42Å; F122-F127 HydrophobicContact CZ-CD1 4.04Å; F122-F127 AromaticContact CZ-CE1 3.91Å; F122-F127 HydrophobicContact CZ-CE1 3.91Å; F122-V131 HydrophobicContact CE2-CG2 4.03Å; F122-V131 HydrophobicContact CZ-CG2 4.03Å; F122-A199 HydrophobicContact CB-CB 4.23Å; F122-A199 HydrophobicContact CD2-CB 3.51Å; F122-A199 HydrophobicContact CE2-CB 4.14Å; F122-A199 HydrophobicContact CG-CB 4.09Å; F122-N202 HydrophobicContact CE1-CB 4.11Å; F122-N202 HydrophobicContact CZ-CB 3.76Å |
| 123 | E | 89.9 | Confident | 93.6 | Very high | 85 Ų | 85 | 34.3 Ų | 34.3 | 40% | 0.397 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -87.1 | -33.9 | 178.9 | -171.7 | 170.4 | 157.9 | 0 | 0 | 112.8 | P119 F120 Y191 T192 S195 | P119-E123 VanDerWaalsContact O-CB 3.3Å; P119-E123 WeakPolarHBondContact O-CB 3.36Å; P119-E123 PolarHBondContact O-N 3.2Å; F120-E123 PolarHBondContact O-N 3.18Å; E123-Y191 WeakPolarHBondContact OE2-CB 3.02Å; E123-T192 PolarHBondContact OE2-N 2.91Å; E123-S195 VanDerWaalsContact CD-OG 3.3Å; E123-S195 WeakPolarHBondContact OE2-CB 3.33Å; E123-S195 PolarHBondContact OE2-OG 2.88Å |
| 124 | N | 88 | Confident | 93.9 | Very high | 84 Ų | 84 | 32.3 Ų | 32.3 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -113.9 | 3.5 | -169 | -56.5 | 105.9 | 0 | 0 | 0 | 114.8 | F120 | F120-N124 HydrophobicContact CD2-CB 4.27Å; F120-N124 WeakPolarHBondContact CD2-OD1 3.36Å; F120-N124 HydrophobicContact CE2-CB 4.1Å; F120-N124 WeakPolarHBondContact CE2-OD1 3.43Å; F120-N124 HydrophobicContact CZ-CB 4.25Å; F120-N124 VanDerWaalsContact O-CB 3.31Å; F120-N124 WeakPolarHBondContact O-CB 3.43Å; F120-N124 PolarHBondContact O-N 3.43Å; F120-N124 PolarHBondContact O-OD1 2.84Å |
| 125 | T | 91.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 14% | 0.135 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -133.3 | 169 | 176 | 85.3 | 0 | 0 | 0 | 0 | 113 | M96 W101 L121 F127 | M96-T125 HydrophobicContact CE-CG2 3.26Å; W101-T125 HydrophobicContact CB-CG2 4.49Å; W101-T125 HydrophobicContact CD2-CG2 3.83Å; W101-T125 HydrophobicContact CE3-CG2 4.34Å; W101-T125 HydrophobicContact CG-CG2 3.86Å; L121-T125 HydrophobicContact CD2-CG2 4.03Å; L121-T125 WeakPolarHBondContact O-CB 3.48Å; L121-T125 PolarHBondContact O-N 3.3Å; L121-T125 PolarHBondContact O-OG1 2.75Å; T125-F127 VanDerWaalsContact C-N 3.31Å; T125-F127 WeakPolarHBondContact OG1-CB 3.11Å; T125-F127 PolarHBondContact OG1-N 3.17Å; T125-F127 VanDerWaalsContact OG1-N 3.15Å |
| 126 | N | 91.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 46% | 0.46 | 17% | 0.169 | S | C | . | . | trans | -90.7 | 18.8 | 174 | -68.5 | -32.4 | 0 | 0 | 0 | 113.5 | E102 R128 | E102-N126 HydrophobicContact CG-CB 3.67Å; E102-N126 WeakPolarHBondContact OE1-CB 3.47Å; E102-N126 PolarHBondContact OE1-ND2 3.42Å; N126-R128 VanDerWaalsContact O-CG 3.25Å; N126-R128 WeakPolarHBondContact O-CG 3.34Å; N126-R128 PolarHBondContact O-N 3.15Å | ||
| 127 | F | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | trans | -52.5 | 134.6 | -179.9 | 173.4 | -105.7 | 0 | 0 | 0 | 112.8 | W101 I104 I107 F122 T125 G129 V131 | W101-F127 HydrophobicContact CB-CB 4.48Å; W101-F127 WeakPolarHBondContact O-CA 3.46Å; I104-F127 HydrophobicContact CB-CD2 4.1Å; I104-F127 HydrophobicContact CB-CE2 4.09Å; I104-F127 HydrophobicContact CG2-CD2 4.34Å; I104-F127 HydrophobicContact CG2-CE2 3.9Å; I104-F127 WeakPolarHBondContact O-CE2 3.01Å; I107-F127 HydrophobicContact CD1-CD1 4.2Å; I107-F127 HydrophobicContact CD1-CD2 4.33Å; I107-F127 HydrophobicContact CD1-CE1 3.75Å; I107-F127 HydrophobicContact CD1-CE2 3.89Å; I107-F127 HydrophobicContact CD1-CG 4.47Å; I107-F127 HydrophobicContact CD1-CZ 3.58Å; I107-F127 HydrophobicContact CG1-CE1 4.24Å; I107-F127 HydrophobicContact CG1-CE2 3.76Å; I107-F127 HydrophobicContact CG1-CZ 3.56Å; F122-F127 HydrophobicContact CE1-CD1 4.14Å; F122-F127 HydrophobicContact CE1-CE1 4.36Å; F122-F127 HydrophobicContact CE2-CD1 4.47Å; F122-F127 HydrophobicContact CE2-CE1 4.42Å; F122-F127 HydrophobicContact CZ-CD1 4.04Å; F122-F127 AromaticContact CZ-CE1 3.91Å; F122-F127 HydrophobicContact CZ-CE1 3.91Å; T125-F127 VanDerWaalsContact C-N 3.31Å; T125-F127 WeakPolarHBondContact OG1-CB 3.11Å; T125-F127 PolarHBondContact OG1-N 3.17Å; T125-F127 VanDerWaalsContact OG1-N 3.15Å; F127-G129 WeakPolarHBondContact CE1-O 2.9Å; F127-G129 VanDerWaalsContact CE2-N 3.34Å; F127-G129 VanDerWaalsContact CZ-CA 3.41Å; F127-G129 WeakPolarHBondContact CZ-O 3.49Å; F127-V131 HydrophobicContact CE1-CG2 3.83Å; F127-V131 HydrophobicContact CZ-CG2 4.16Å | ||
| 128 | R | 91.8 | Very high | 94.7 | Very high | 199 Ų | 199 | 35.8 Ų | 35.8 | 75% | 0.751 | 17% | 0.171 | S | C | * | . | trans | -136.2 | 8.3 | 179 | -47.5 | -162.1 | -175.6 | -69.8 | -8.9 | 114.5 | N126 | N126-R128 VanDerWaalsContact O-CG 3.25Å; N126-R128 WeakPolarHBondContact O-CG 3.34Å; N126-R128 PolarHBondContact O-N 3.15Å | ||
| 129 | G | 95 | Very high | 94.8 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 25% | 0.247 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -72.5 | -176.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I104 D105 F127 | I104-G129 WeakPolarHBondContact O-CA 3.33Å; D105-G129 CarbonylContact O-C 3.3Å; D105-G129 WeakPolarHBondContact O-CA 3.5Å; F127-G129 WeakPolarHBondContact CE1-O 2.9Å; F127-G129 VanDerWaalsContact CE2-N 3.34Å; F127-G129 VanDerWaalsContact CZ-CA 3.41Å; F127-G129 WeakPolarHBondContact CZ-O 3.49Å |
| 130 | K | 96.7 | Very high | 94.9 | Very high | 87 Ų | 87 | 38.9 Ų | 38.9 | 38% | 0.378 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 156.3 | 171.7 | -65 | -175.9 | 176.7 | -174.8 | 0 | 111.1 | D105 V106 I107 F132 | D105-K130 PolarHBondContact O-N 2.96Å; V106-K130 CarbonylContact C-O 3.6Å; V106-K130 VanDerWaalsContact CA-O 3.27Å; V106-K130 WeakPolarHBondContact CA-O 3.37Å; I107-K130 PolarHBondContact N-O 3.34Å; K130-F132 HydrophobicContact CB-CD2 4.47Å; K130-F132 HydrophobicContact CB-CE2 3.78Å; K130-F132 HydrophobicContact CB-CZ 4.04Å; K130-F132 HydrophobicContact CD-CE2 4.2Å; K130-F132 HydrophobicContact CD-CZ 3.73Å |
| 131 | V | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.9 | 169.4 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | I107 V109 L118 F122 F127 I203 H204 | I107-V131 HydrophobicContact CB-CG1 4.22Å; I107-V131 HydrophobicContact CB-CG2 4.2Å; I107-V131 HydrophobicContact CD1-CG2 4.17Å; I107-V131 HydrophobicContact CG1-CG2 4.43Å; I107-V131 HydrophobicContact CG2-CG1 4.47Å; I107-V131 WeakPolarHBondContact O-CA 3.4Å; V109-V131 HydrophobicContact CG2-CG1 3.64Å; L118-V131 HydrophobicContact CD1-CG1 3.97Å; L118-V131 HydrophobicContact CD2-CG1 3.97Å; L118-V131 HydrophobicContact CD2-CG2 4.36Å; F122-V131 HydrophobicContact CE2-CG2 4.03Å; F122-V131 HydrophobicContact CZ-CG2 4.03Å; F127-V131 HydrophobicContact CE1-CG2 3.83Å; F127-V131 HydrophobicContact CZ-CG2 4.16Å; V131-I203 HydrophobicContact CB-CG1 4.22Å; V131-I203 HydrophobicContact CG1-CG1 4.01Å; V131-I203 HydrophobicContact CG1-CG2 4.27Å; V131-H204 WeakPolarHBondContact O-CB 3.46Å; V131-H204 PolarHBondContact O-N 3.28Å |
| 132 | F | 98.5 | Very high | 95.3 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.8 | 175.5 | -62 | -81.7 | 0 | 0 | 0 | 111.4 | V106 I107 L108 V109 K130 H204 V206 V212 L214 I220 W234 | V106-F132 HydrophobicContact CG1-CD2 3.48Å; V106-F132 VanDerWaalsContact CG1-CD2 3.48Å; V106-F132 HydrophobicContact CG1-CE2 3.7Å; V106-F132 HydrophobicContact CG2-CE2 4.14Å; I107-F132 PolarHBondContact O-N 3.36Å; L108-F132 HydrophobicContact CD2-CB 4.07Å; L108-F132 HydrophobicContact CD2-CD2 4.02Å; L108-F132 HydrophobicContact CD2-CG 4.49Å; V109-F132 WeakPolarHBondContact CB-O 3.45Å; V109-F132 PolarHBondContact N-O 2.91Å; K130-F132 HydrophobicContact CB-CD2 4.47Å; K130-F132 HydrophobicContact CB-CE2 3.78Å; K130-F132 HydrophobicContact CB-CZ 4.04Å; K130-F132 HydrophobicContact CD-CE2 4.2Å; K130-F132 HydrophobicContact CD-CZ 3.73Å; F132-H204 WeakPolarHBondContact CA-O 3.43Å; F132-H204 HydrophobicContact CD1-CB 3.49Å; F132-H204 VanDerWaalsContact CD1-CB 3.49Å; F132-H204 HydrophobicContact CE1-CB 3.56Å; F132-H204 AromaticContact CE1-CD2 3.98Å; F132-H204 HydrophobicContact CG-CB 4.43Å; F132-V206 HydrophobicContact CB-CG2 4Å; F132-V206 HydrophobicContact CD1-CG2 3.6Å; F132-V206 HydrophobicContact CG-CG2 4.22Å; F132-V212 HydrophobicContact CD1-CG1 4.43Å; F132-V212 HydrophobicContact CE1-CG1 3.72Å; F132-V212 HydrophobicContact CZ-CG1 3.93Å; F132-L214 HydrophobicContact CE2-CD2 3.58Å; F132-L214 HydrophobicContact CZ-CD2 3.89Å; F132-I220 HydrophobicContact CB-CD1 4.28Å; F132-I220 HydrophobicContact CD2-CD1 3.8Å; F132-I220 HydrophobicContact CE2-CD1 4.23Å; F132-I220 HydrophobicContact CG-CD1 3.96Å; F132-W234 HydrophobicContact CB-CH2 3.95Å; F132-W234 HydrophobicContact CB-CZ2 4.46Å |
| 133 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V109 V137 V138 I203 H204 L205 V206 | V109-A133 HydrophobicContact CB-CB 3.87Å; V109-A133 HydrophobicContact CG1-CB 4.4Å; V109-A133 HydrophobicContact CG2-CB 4.37Å; A133-V137 HydrophobicContact CB-CG1 4.44Å; A133-V138 HydrophobicContact CB-CG2 3.68Å; A133-I203 HydrophobicContact CB-CG2 3.67Å; A133-H204 PolarHBondContact N-O 3.31Å; A133-L205 CarbonylContact O-C 3.57Å; A133-L205 WeakPolarHBondContact O-CA 3.47Å; A133-V206 PolarHBondContact O-N 2.97Å |
| 134 | T | 98.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -78.1 | 152.9 | 166.5 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | V137 V138 V206 Y208 G230 C232 W447 | T134-V137 PolarHBondContact O-N 3.36Å; T134-V137 WeakPolarHBondContact OG1-CB 3.43Å; T134-V137 VanDerWaalsContact OG1-CG2 3.31Å; T134-V137 WeakPolarHBondContact OG1-CG2 3.48Å; T134-V138 PolarHBondContact O-N 3.19Å; T134-V206 WeakPolarHBondContact CA-O 3.48Å; T134-Y208 HydrophobicContact CG2-CE1 4.38Å; T134-G230 WeakPolarHBondContact CB-O 3.37Å; T134-G230 VanDerWaalsContact CG2-O 3.27Å; T134-G230 WeakPolarHBondContact CG2-O 3.43Å; T134-G230 PolarHBondContact OG1-O 2.89Å; T134-C232 HydrophobicContact CG2-CB 4.16Å; T134-W447 HydrophobicContact CG2-CH2 3.95Å; T134-W447 HydrophobicContact CG2-CZ3 3.71Å | ||
| 135 | E | 97.6 | Very high | 96 | Very high | 67 Ų | 67 | 32.3 Ų | 32.3 | 31% | 0.313 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59 | -45.8 | -179.6 | -173.2 | 165.3 | -158 | 0 | 0 | 113.5 | V137 V138 K139 L205 Y444 | E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 2.81Å; E135-V138 PolarHBondContact O-N 3.05Å; E135-K139 HydrophobicContact CG-CD 4.39Å; E135-K139 HydrophobicContact CG-CG 3.97Å; E135-K139 WeakPolarHBondContact O-CG 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å; E135-K139 VanDerWaalsContact O-N 3.1Å; E135-K139 WeakPolarHBondContact OE1-CE 3.45Å; E135-K139 IonicContact OE1-NZ 2.67Å; E135-K139 PolarHBondContact OE1-NZ 2.72Å; E135-L205 HydrophobicContact CB-CD1 4.1Å; E135-L205 HydrophobicContact CB-CD2 4.44Å; E135-L205 HydrophobicContact CG-CD1 3.99Å; E135-Y444 HydrophobicContact CG-CE1 4.12Å |
| 136 | P | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | 179.8 | -19.3 | 30.6 | 0 | 0 | 0 | 112.7 | V138 K139 F140 I229 Y444 W447 | P136-V138 PolarHBondContact O-N 2.96Å; P136-K139 PolarHBondContact O-N 2.78Å; P136-K139 VanDerWaalsContact O-N 3.14Å; P136-F140 HydrophobicContact CB-CD2 4.19Å; P136-F140 HydrophobicContact CB-CE2 4.26Å; P136-F140 VanDerWaalsContact O-CD2 3.24Å; P136-F140 WeakPolarHBondContact O-CD2 3.27Å; P136-F140 PolarHBondContact O-N 3.34Å; P136-I229 HydrophobicContact CB-CG2 3.87Å; P136-I229 HydrophobicContact CG-CG2 4.3Å; P136-Y444 HydrophobicContact CB-CD2 4.16Å; P136-Y444 HydrophobicContact CB-CG 4.13Å; P136-Y444 HydrophobicContact CG-CD1 3.88Å; P136-Y444 HydrophobicContact CG-CD2 4.36Å; P136-Y444 HydrophobicContact CG-CE1 4.46Å; P136-Y444 HydrophobicContact CG-CG 3.85Å; P136-W447 HydrophobicContact CG-CB 4.42Å; P136-W447 HydrophobicContact CG-CD2 3.54Å; P136-W447 HydrophobicContact CG-CE3 4.08Å; P136-W447 HydrophobicContact CG-CG 3.69Å; P136-W447 HydrophobicContact CG-CZ2 4.16Å |
| 137 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 177 | 160.2 | 0 | 0 | 0 | 0 | 111.2 | V109 N111 I115 A133 T134 E135 K139 G141 G230 | V109-V137 HydrophobicContact CG1-CG1 3.97Å; N111-V137 WeakPolarHBondContact O-CG1 3.3Å; I115-V137 HydrophobicContact CD1-CG1 4.12Å; I115-V137 HydrophobicContact CG1-CG1 3.76Å; A133-V137 HydrophobicContact CB-CG1 4.44Å; T134-V137 PolarHBondContact O-N 3.36Å; T134-V137 WeakPolarHBondContact OG1-CB 3.43Å; T134-V137 VanDerWaalsContact OG1-CG2 3.31Å; T134-V137 WeakPolarHBondContact OG1-CG2 3.48Å; E135-V137 VanDerWaalsContact C-N 3.32Å; E135-V137 PolarHBondContact O-N 2.81Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.82Å; V137-G141 WeakPolarHBondContact O-CA 3.35Å; V137-G141 PolarHBondContact O-N 3.31Å; V137-G230 WeakPolarHBondContact CG2-O 3.28Å |
| 138 | V | 98 | Very high | 95.9 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | I115 A133 T134 E135 P136 G141 K142 L200 I203 L205 | I115-V138 HydrophobicContact CD1-CG2 4.1Å; A133-V138 HydrophobicContact CB-CG2 3.68Å; T134-V138 PolarHBondContact O-N 3.19Å; E135-V138 PolarHBondContact O-N 3.05Å; P136-V138 PolarHBondContact O-N 2.96Å; V138-G141 PolarHBondContact O-N 3.31Å; V138-K142 WeakPolarHBondContact O-CB 3.46Å; V138-K142 PolarHBondContact O-N 2.96Å; V138-L200 HydrophobicContact CG1-CD2 4.31Å; V138-I203 HydrophobicContact CG1-CD1 4.27Å; V138-I203 HydrophobicContact CG2-CB 4.35Å; V138-I203 HydrophobicContact CG2-CD1 3.88Å; V138-I203 HydrophobicContact CG2-CG2 3.81Å; V138-L205 HydrophobicContact CB-CD2 4.43Å; V138-L205 HydrophobicContact CG2-CD2 3.85Å |
| 139 | K | 97.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 19.3 Ų | 19.3 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -78.6 | -41.1 | -171 | -58.4 | -93.8 | -178.7 | 157.1 | 0 | 112.3 | E135 P136 V137 I143 Y440 Y444 | E135-K139 HydrophobicContact CG-CD 4.39Å; E135-K139 HydrophobicContact CG-CG 3.97Å; E135-K139 WeakPolarHBondContact O-CG 3.37Å; E135-K139 PolarHBondContact O-N 2.8Å; E135-K139 VanDerWaalsContact O-N 3.1Å; E135-K139 WeakPolarHBondContact OE1-CE 3.45Å; E135-K139 IonicContact OE1-NZ 2.67Å; E135-K139 PolarHBondContact OE1-NZ 2.72Å; P136-K139 PolarHBondContact O-N 2.78Å; P136-K139 VanDerWaalsContact O-N 3.14Å; V137-K139 VanDerWaalsContact C-N 3.31Å; V137-K139 PolarHBondContact O-N 2.82Å; K139-I143 PolarHBondContact O-N 3.33Å; K139-Y440 HydrophobicContact CB-CD2 3.88Å; K139-Y440 HydrophobicContact CB-CE2 3.68Å; K139-Y440 HydrophobicContact CD-CE2 4.34Å; K139-Y444 HydrophobicContact CB-CE2 4.2Å; K139-Y444 WeakPolarHBondContact CD-OH 3.36Å; K139-Y444 WeakPolarHBondContact CE-OH 3.45Å; K139-Y444 HydrophobicContact CG-CE2 4.33Å; K139-Y444 WeakPolarHBondContact CG-OH 3.2Å |
| 140 | F | 97 | Very high | 95.5 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.022 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.9 | -32 | 169.3 | -70.2 | -65.5 | 0 | 0 | 0 | 111.6 | T112 P136 K142 I143 L144 I229 F315 Y444 | T112-F140 HydrophobicContact CG2-CB 3.57Å; P136-F140 HydrophobicContact CB-CD2 4.19Å; P136-F140 HydrophobicContact CB-CE2 4.26Å; P136-F140 VanDerWaalsContact O-CD2 3.24Å; P136-F140 WeakPolarHBondContact O-CD2 3.27Å; P136-F140 PolarHBondContact O-N 3.34Å; F140-K142 VanDerWaalsContact C-N 3.34Å; F140-K142 PolarHBondContact O-N 3.22Å; F140-I143 HydrophobicContact CD1-CD1 3.81Å; F140-I143 HydrophobicContact CE1-CD1 4.24Å; F140-I143 WeakPolarHBondContact O-CB 3.49Å; F140-I143 PolarHBondContact O-N 3.05Å; F140-I143 VanDerWaalsContact O-N 3.12Å; F140-L144 PolarHBondContact O-N 3.02Å; F140-I229 HydrophobicContact CD2-CB 4.37Å; F140-I229 HydrophobicContact CE2-CB 3.86Å; F140-I229 HydrophobicContact CE2-CD1 3.9Å; F140-I229 HydrophobicContact CE2-CG1 4.41Å; F140-I229 HydrophobicContact CE2-CG2 4.04Å; F140-I229 HydrophobicContact CZ-CD1 3.92Å; F140-F315 HydrophobicContact CE1-CE2 4.18Å; F140-F315 AromaticContact CE1-CZ 3.99Å; F140-F315 HydrophobicContact CE1-CZ 3.99Å; F140-F315 HydrophobicContact CZ-CE2 4.3Å; F140-F315 HydrophobicContact CZ-CZ 4.45Å; F140-Y444 HydrophobicContact CE2-CD2 4.26Å |
| 141 | G | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T112 V137 V138 I143 L144 I145 | T112-G141 VanDerWaalsContact CG2-N 3.33Å; V137-G141 WeakPolarHBondContact O-CA 3.35Å; V137-G141 PolarHBondContact O-N 3.31Å; V138-G141 PolarHBondContact O-N 3.31Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.29Å; G141-L144 PolarHBondContact O-N 3.06Å; G141-I145 WeakPolarHBondContact O-CG1 3.35Å; G141-I145 PolarHBondContact O-N 3.3Å |
| 142 | K | 96.5 | Very high | 94.3 | Very high | 78 Ų | 78 | 17 Ų | 17 | 34% | 0.339 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 171.3 | -168.2 | 178.8 | -171.7 | -60.7 | 0 | 112.7 | V138 F140 I145 D146 L200 | V138-K142 WeakPolarHBondContact O-CB 3.46Å; V138-K142 PolarHBondContact O-N 2.96Å; F140-K142 VanDerWaalsContact C-N 3.34Å; F140-K142 PolarHBondContact O-N 3.22Å; K142-I145 PolarHBondContact O-N 3.15Å; K142-D146 IonicContact NZ-OD1 2.65Å; K142-D146 IonicContact NZ-OD2 3.65Å; K142-D146 PolarHBondContact NZ-OD2 2.8Å; K142-D146 WeakPolarHBondContact O-CB 3.46Å; K142-D146 PolarHBondContact O-N 2.9Å; K142-L200 HydrophobicContact CB-CD1 3.74Å; K142-L200 HydrophobicContact CD-CD1 3.85Å; K142-L200 HydrophobicContact CG-CD1 3.67Å |
| 143 | I | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.3 | -78.7 | 164.7 | 0 | 0 | 0 | 111.2 | K139 F140 G141 I145 D146 D147 P310 Q433 V436 Y440 | K139-I143 PolarHBondContact O-N 3.33Å; F140-I143 HydrophobicContact CD1-CD1 3.81Å; F140-I143 HydrophobicContact CE1-CD1 4.24Å; F140-I143 WeakPolarHBondContact O-CB 3.49Å; F140-I143 PolarHBondContact O-N 3.05Å; F140-I143 VanDerWaalsContact O-N 3.12Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.29Å; I143-I145 PolarHBondContact O-N 2.81Å; I143-D146 PolarHBondContact O-N 2.98Å; I143-D147 WeakPolarHBondContact O-CB 3.47Å; I143-D147 PolarHBondContact O-N 2.9Å; I143-P310 HydrophobicContact CG2-CB 4.31Å; I143-P310 HydrophobicContact CG2-CG 3.87Å; I143-Q433 HydrophobicContact CB-CB 4.4Å; I143-Q433 HydrophobicContact CG1-CB 4.29Å; I143-Q433 HydrophobicContact CG2-CB 3.85Å; I143-Q433 HydrophobicContact CG2-CG 4.43Å; I143-V436 HydrophobicContact CD1-CB 4.35Å; I143-V436 HydrophobicContact CD1-CG1 4.1Å; I143-V436 HydrophobicContact CG1-CB 4.45Å; I143-V436 HydrophobicContact CG1-CG1 4.25Å; I143-Y440 HydrophobicContact CD1-CD2 3.53Å; I143-Y440 HydrophobicContact CD1-CE2 3.98Å; I143-Y440 HydrophobicContact CD1-CG 4.47Å |
| 144 | L | 93.3 | Very high | 92.5 | Very high | 17 Ų | 17 | 24 Ų | 24 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 177.8 | -61.9 | -175.7 | 0 | 0 | 0 | 111.8 | T112 L116 F140 G141 L148 N309 P310 | T112-L144 HydrophobicContact CG2-CD1 3.77Å; T112-L144 HydrophobicContact CG2-CG 4.29Å; L116-L144 HydrophobicContact CD2-CB 4.21Å; F140-L144 PolarHBondContact O-N 3.02Å; G141-L144 PolarHBondContact O-N 3.06Å; L144-L148 VanDerWaalsContact O-CB 3.26Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.32Å; L144-L148 VanDerWaalsContact O-N 3.09Å; L144-N309 HydrophobicContact CD2-CB 4.26Å; L144-P310 HydrophobicContact CD2-CG 4.03Å |
| 145 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -50.7 | 177 | -69.8 | 171.3 | 0 | 0 | 0 | 111.5 | I115 L116 P119 G141 K142 I143 D147 L148 L149 Y191 V196 | I115-I145 HydrophobicContact CG2-CD1 3.84Å; L116-I145 HydrophobicContact CD2-CG1 3.81Å; P119-I145 HydrophobicContact CG-CD1 4.09Å; G141-I145 WeakPolarHBondContact O-CG1 3.35Å; G141-I145 PolarHBondContact O-N 3.3Å; K142-I145 PolarHBondContact O-N 3.15Å; I143-I145 PolarHBondContact O-N 2.81Å; I145-D147 PolarHBondContact O-N 3.21Å; I145-L148 PolarHBondContact O-N 3.05Å; I145-L149 HydrophobicContact CG2-CD1 3.78Å; I145-L149 HydrophobicContact CG2-CG 4.33Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 WeakPolarHBondContact O-CG 3.07Å; I145-L149 PolarHBondContact O-N 2.87Å; I145-Y191 HydrophobicContact CG2-CE2 3.99Å; I145-V196 HydrophobicContact CD1-CG1 4.27Å; I145-V196 HydrophobicContact CG2-CB 4.31Å; I145-V196 HydrophobicContact CG2-CG1 3.74Å; I145-V196 HydrophobicContact CG2-CG2 3.55Å |
| 146 | D | 94 | Very high | 89.7 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 13% | 0.134 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -35.1 | -175.8 | -73.3 | -28.8 | 0 | 0 | 0 | 111.8 | K142 I143 C150 Q433 | K142-D146 IonicContact NZ-OD1 2.65Å; K142-D146 IonicContact NZ-OD2 3.65Å; K142-D146 PolarHBondContact NZ-OD2 2.8Å; K142-D146 WeakPolarHBondContact O-CB 3.46Å; K142-D146 PolarHBondContact O-N 2.9Å; I143-D146 PolarHBondContact O-N 2.98Å; D146-C150 WeakPolarHBondContact O-CB 3.45Å; D146-C150 PolarHBondContact O-N 2.78Å; D146-C150 PolarHBondContact O-SG 3.02Å; D146-Q433 HydrophobicContact CB-CG 3.98Å; D146-Q433 VanDerWaalsContact CB-NE2 3.34Å |
| 147 | D | 91.7 | Very high | 87.9 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 174.6 | -152.4 | 77 | 0 | 0 | 0 | 110.3 | I143 I145 L149 C150 E151 P310 S431 N432 Q433 S579 | I143-D147 WeakPolarHBondContact O-CB 3.47Å; I143-D147 PolarHBondContact O-N 2.9Å; I145-D147 PolarHBondContact O-N 3.21Å; D147-L149 PolarHBondContact O-N 3.12Å; D147-C150 PolarHBondContact O-N 2.8Å; D147-C150 VanDerWaalsContact O-N 3.16Å; D147-E151 PolarHBondContact O-N 3.44Å; D147-P310 HydrophobicContact CB-CG 4.25Å; D147-S431 WeakPolarHBondContact OD1-CB 3.42Å; D147-S431 PolarHBondContact OD1-OG 3.42Å; D147-N432 PolarHBondContact OD1-N 2.8Å; D147-Q433 HydrophobicContact CB-CG 4.06Å; D147-Q433 PolarHBondContact OD1-N 3.19Å; D147-S579 WeakPolarHBondContact OD2-CB 3.39Å; D147-S579 PolarHBondContact OD2-OG 2.9Å |
| 148 | L | 89.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.2 | -49.1 | 175.1 | 169.1 | 60.2 | 0 | 0 | 0 | 112.5 | L144 I145 C150 E151 L152 F190 P581 | L144-L148 VanDerWaalsContact O-CB 3.26Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.32Å; L144-L148 VanDerWaalsContact O-N 3.09Å; I145-L148 PolarHBondContact O-N 3.05Å; L148-C150 VanDerWaalsContact C-N 3.35Å; L148-C150 PolarHBondContact O-N 2.92Å; L148-E151 PolarHBondContact O-N 2.8Å; L148-L152 HydrophobicContact CD1-CD1 3.79Å; L148-L152 HydrophobicContact CD1-CG 4.09Å; L148-L152 HydrophobicContact CG-CD1 3.98Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.57Å; L148-F190 HydrophobicContact CD2-CD1 4.2Å; L148-F190 HydrophobicContact CD2-CE1 3.84Å; L148-P581 HydrophobicContact CB-CG 4.39Å; L148-P581 HydrophobicContact CD1-CB 3.78Å; L148-P581 HydrophobicContact CD1-CG 3.61Å |
| 149 | L | 91 | Very high | 83.6 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -34.6 | 179.5 | -68.5 | 176.2 | 0 | 0 | 0 | 112.2 | I145 D147 L152 D153 F190 Y191 R193 V196 | I145-L149 HydrophobicContact CG2-CD1 3.78Å; I145-L149 HydrophobicContact CG2-CG 4.33Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 WeakPolarHBondContact O-CG 3.07Å; I145-L149 PolarHBondContact O-N 2.87Å; D147-L149 PolarHBondContact O-N 3.12Å; L149-L152 HydrophobicContact CD2-CD1 4.22Å; L149-L152 PolarHBondContact O-N 3.01Å; L149-D153 VanDerWaalsContact O-CG 3.28Å; L149-D153 PolarHBondContact O-N 3.48Å; L149-F190 HydrophobicContact CD2-CB 4.38Å; L149-Y191 HydrophobicContact CD1-CE2 4.49Å; L149-R193 HydrophobicContact CD1-CG 3.87Å; L149-V196 HydrophobicContact CD1-CG2 4Å |
| 150 | C | 88.8 | Confident | 81.5 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.9 | -26.3 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | D146 D147 L148 Q154 R193 N432 | D146-C150 WeakPolarHBondContact O-CB 3.45Å; D146-C150 PolarHBondContact O-N 2.78Å; D146-C150 PolarHBondContact O-SG 3.02Å; D147-C150 PolarHBondContact O-N 2.8Å; D147-C150 VanDerWaalsContact O-N 3.16Å; L148-C150 VanDerWaalsContact C-N 3.35Å; L148-C150 PolarHBondContact O-N 2.92Å; C150-Q154 PolarHBondContact O-NE2 2.78Å; C150-R193 PolarHBondContact SG-NH2 2.65Å; C150-R193 VanDerWaalsContact SG-NH2 3.45Å; C150-N432 HydrophobicContact CB-CB 3.96Å |
| 151 | E | 83.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -81.6 | -29 | 170.8 | -58.5 | -49.9 | 139 | 0 | 0 | 112.6 | D147 L148 Q154 N432 L585 G586 | D147-E151 PolarHBondContact O-N 3.44Å; L148-E151 PolarHBondContact O-N 2.8Å; E151-Q154 VanDerWaalsContact CD-NE2 3.28Å; E151-Q154 PolarHBondContact O-N 3.29Å; E151-Q154 PolarHBondContact OE1-NE2 2.82Å; E151-Q154 PolarHBondContact OE2-NE2 2.93Å; E151-N432 PolarHBondContact OE1-ND2 2.93Å; E151-L585 HydrophobicContact CB-CD1 3.77Å; E151-L585 HydrophobicContact CB-CG 4.02Å; E151-G586 WeakPolarHBondContact OE2-CA 3.43Å |
| 152 | L | 84.1 | Confident | 77.4 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 173.3 | -74.7 | 168.4 | 0 | 0 | 0 | 112.3 | F86 L148 L149 Q154 L155 F190 L585 | F86-L152 HydrophobicContact CB-CD2 4.03Å; F86-L152 HydrophobicContact CD2-CD2 3.57Å; F86-L152 HydrophobicContact CE2-CD2 4.42Å; F86-L152 HydrophobicContact CG-CD2 4.17Å; L148-L152 HydrophobicContact CD1-CD1 3.79Å; L148-L152 HydrophobicContact CD1-CG 4.09Å; L148-L152 HydrophobicContact CG-CD1 3.98Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 2.57Å; L149-L152 HydrophobicContact CD2-CD1 4.22Å; L149-L152 PolarHBondContact O-N 3.01Å; L152-Q154 PolarHBondContact O-N 3.21Å; L152-Q154 VanDerWaalsContact O-N 3.16Å; L152-L155 HydrophobicContact CD2-CD1 4.08Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 WeakPolarHBondContact O-CG 3.04Å; L152-L155 PolarHBondContact O-N 3.07Å; L152-F190 HydrophobicContact CD1-CB 4.01Å; L152-F190 HydrophobicContact CD1-CD1 4.15Å; L152-F190 HydrophobicContact CD1-CD2 3.65Å; L152-F190 HydrophobicContact CD1-CE2 4.15Å; L152-F190 HydrophobicContact CD1-CG 3.66Å; L152-F190 HydrophobicContact CD2-CD2 4.39Å; L152-F190 HydrophobicContact CD2-CE2 4.48Å; L152-L585 HydrophobicContact CD2-CD1 3.77Å; L152-L585 HydrophobicContact CG-CD1 3.92Å |
| 153 | D | 83.3 | Confident | 75.8 | Confident | 103 Ų | 103 | 54.1 Ų | 54.1 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.2 | 176.4 | -73.1 | -15.4 | 0 | 0 | 0 | 114 | L149 L155 R193 | L149-D153 VanDerWaalsContact O-CG 3.28Å; L149-D153 PolarHBondContact O-N 3.48Å; D153-L155 VanDerWaalsContact C-N 3.31Å; D153-R193 IonicContact OD1-NH1 2.63Å; D153-R193 PolarHBondContact OD1-NH1 2.93Å; D153-R193 IonicContact OD2-CZ 3.07Å; D153-R193 IonicContact OD2-NH1 3.83Å; D153-R193 PolarHBondContact OD2-NH1 2.62Å; D153-R193 IonicContact OD2-NH2 2.72Å; D153-R193 PolarHBondContact OD2-NH2 2.82Å |
| 154 | Q | 76.7 | Confident | 74.3 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 1.7 | -179.8 | -71.4 | 174.1 | 74.1 | 0 | 0 | 113.7 | C150 E151 L152 | C150-Q154 PolarHBondContact O-NE2 2.78Å; E151-Q154 VanDerWaalsContact CD-NE2 3.28Å; E151-Q154 PolarHBondContact O-N 3.29Å; E151-Q154 PolarHBondContact OE1-NE2 2.82Å; E151-Q154 PolarHBondContact OE2-NE2 2.93Å; L152-Q154 PolarHBondContact O-N 3.21Å; L152-Q154 VanDerWaalsContact O-N 3.16Å |
| 155 | L | 73.8 | Confident | 72.9 | Confident | 28 Ų | 28 | 55.8 Ų | 55.8 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 150.1 | 178.8 | -54.1 | 175.7 | 0 | 0 | 0 | 110.5 | P48 H50 F86 L152 D153 L585 | P48-L155 HydrophobicContact CB-CD1 4.16Å; P48-L155 HydrophobicContact CB-CD2 4.33Å; P48-L155 HydrophobicContact CG-CD1 4.19Å; H50-L155 HydrophobicContact CB-CD2 4.47Å; F86-L155 HydrophobicContact CD2-CD1 3.53Å; F86-L155 HydrophobicContact CE2-CD1 3.62Å; L152-L155 HydrophobicContact CD2-CD1 4.08Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 WeakPolarHBondContact O-CG 3.04Å; L152-L155 PolarHBondContact O-N 3.07Å; D153-L155 VanDerWaalsContact C-N 3.31Å; L155-L585 HydrophobicContact CD1-CD1 4.45Å |
| 156 | F | 63.6 | Low | 71.2 | Confident | 120 Ų | 120 | 63.3 Ų | 63.3 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 132.1 | 165.2 | -76.3 | -74.3 | 0 | 0 | 0 | 109.8 | Q51 S158 | Q51-F156 HydrophobicContact CB-CE2 4.26Å; Q51-F156 HydrophobicContact CG-CD2 4.37Å; Q51-F156 HydrophobicContact CG-CE2 3.65Å; Q51-F156 HydrophobicContact CG-CZ 3.82Å; F156-S158 PolarHBondContact O-N 3.1Å |
| 157 | E | 59.7 | Low | 69.8 | Low | 150 Ų | 150 | 64.4 Ų | 64.4 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 128.3 | 161.6 | -70 | -156.6 | 111.5 | 0 | 0 | 109.6 | E159 K189 | E157-E159 PolarHBondContact O-N 3.38Å; E157-K189 IonicContact OE1-NZ 3.05Å; E157-K189 PolarHBondContact OE1-NZ 3.32Å |
| 158 | S | 54.8 | Low | 68.2 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 119 | 173.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | D85 F156 V160 | D85-S158 WeakPolarHBondContact OD1-CB 3.34Å; D85-S158 PolarHBondContact OD1-N 3.27Å; F156-S158 PolarHBondContact O-N 3.1Å; S158-V160 CarbonylContact O-C 3.59Å; S158-V160 PolarHBondContact O-N 2.72Å; S158-V160 VanDerWaalsContact O-N 3.08Å; S158-V160 PolarHBondContact OG-N 2.96Å; S158-V160 PolarHBondContact OG-O 3.26Å |
| 159 | E | 50.5 | Low | 66.8 | Low | 204 Ų | 204 | 71.1 Ų | 71.1 | 95% | 0.953 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -52.5 | -30 | 168 | -63.1 | -174.4 | 155.6 | 0 | 0 | 111.9 | E157 N161 | E157-E159 PolarHBondContact O-N 3.38Å; E159-N161 PolarHBondContact O-N 3.29Å |
| 160 | V | 53.2 | Low | 64.9 | Low | 94 Ų | 94 | 78 Ų | 78 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -79.1 | 85.8 | 170.8 | -170 | 0 | 0 | 0 | 0 | 108.9 | S158 S162 | S158-V160 CarbonylContact O-C 3.59Å; S158-V160 PolarHBondContact O-N 2.72Å; S158-V160 VanDerWaalsContact O-N 3.08Å; S158-V160 PolarHBondContact OG-N 2.96Å; S158-V160 PolarHBondContact OG-O 3.26Å; V160-S162 PolarHBondContact O-N 2.86Å; V160-S162 PolarHBondContact O-OG 2.95Å; V160-S162 VanDerWaalsContact O-OG 3.13Å |
| 161 | N | 50.9 | Low | 63.2 | Low | 139 Ų | 139 | 85.8 Ų | 85.8 | 74% | 0.743 | 43% | 0.432 | S | S | * | . | trans | -70.9 | 68.2 | 172.1 | -167.5 | 0.7 | 0 | 0 | 0 | 110.7 | E159 | E159-N161 PolarHBondContact O-N 3.29Š| ||
| 162 | S | 56.4 | Low | 61.8 | Low | 22 Ų | 22 | 87.2 Ų | 87.2 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | trans | -81.8 | 118.5 | -171.7 | 37.1 | 0 | 0 | 0 | 0 | 111 | M72 K87 V160 L164 | M72-S162 VanDerWaalsContact SD-CB 3.53Å; M72-S162 PolarHBondContact SD-OG 2.83Å; K87-S162 PolarHBondContact NZ-O 3.07Å; V160-S162 PolarHBondContact O-N 2.86Å; V160-S162 PolarHBondContact O-OG 2.95Å; V160-S162 VanDerWaalsContact O-OG 3.13Å; S162-L164 PolarHBondContact O-N 3.49Å; S162-L164 VanDerWaalsContact O-N 3.13Å | ||
| 163 | D | 62.4 | Low | 60.4 | Low | 60 Ų | 60 | 93.2 Ų | 93.2 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | trans | -78.7 | 97.9 | 173.4 | -170.7 | -8.5 | 0 | 0 | 0 | 110 | S165 K166 | D163-S165 VanDerWaalsContact CG-OG 3.22Å; D163-S165 PolarHBondContact O-N 3.42Å; D163-S165 VanDerWaalsContact O-N 3.17Å; D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.07Å; D163-S165 PolarHBondContact OD1-OG 3.21Å; D163-S165 PolarHBondContact OD2-OG 3.26Å; D163-K166 HydrophobicContact CB-CD 4.28Å; D163-K166 HydrophobicContact CB-CG 4.23Å; D163-K166 PolarHBondContact O-N 3.06Å; D163-K166 IonicContact OD2-NZ 3.54Å; D163-K166 PolarHBondContact OD2-NZ 3.41Å | ||
| 164 | L | 64.9 | Low | 59.5 | Low | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.01 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -58.2 | -29.3 | -175.4 | -166.5 | 61.4 | 0 | 0 | 0 | 112.2 | F46 M72 I82 S162 K166 V167 L180 W187 | F46-L164 HydrophobicContact CE1-CD2 4.35Å; F46-L164 HydrophobicContact CZ-CD2 4.05Å; M72-L164 HydrophobicContact CE-CD1 3.62Å; M72-L164 HydrophobicContact SD-CD1 3.86Å; I82-L164 HydrophobicContact CD1-CD2 4.29Å; I82-L164 HydrophobicContact CG2-CD1 4.14Å; I82-L164 HydrophobicContact CG2-CD2 4.45Å; S162-L164 PolarHBondContact O-N 3.49Å; S162-L164 VanDerWaalsContact O-N 3.13Å; L164-K166 PolarHBondContact O-N 3.2Å; L164-V167 PolarHBondContact O-N 2.95Å; L164-L180 HydrophobicContact CD1-CD2 3.57Å; L164-L180 HydrophobicContact CD2-CD2 3.94Å; L164-L180 HydrophobicContact CG-CD2 3.62Å; L164-W187 HydrophobicContact CB-CB 4.18Å; L164-W187 HydrophobicContact CB-CG 4.26Å; L164-W187 HydrophobicContact CD2-CB 4.27Å; L164-W187 HydrophobicContact CD2-CD2 3.85Å; L164-W187 HydrophobicContact CD2-CE3 4.33Å; L164-W187 HydrophobicContact CD2-CG 3.76Å; L164-W187 HydrophobicContact CG-CG 4.25Å |
| 165 | S | 62.3 | Low | 59 | Low | 53 Ų | 53 | 89 Ų | 89 | 37% | 0.371 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -64.8 | -19.2 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | D163 | D163-S165 VanDerWaalsContact CG-OG 3.22Å; D163-S165 PolarHBondContact O-N 3.42Å; D163-S165 VanDerWaalsContact O-N 3.17Å; D163-S165 WeakPolarHBondContact OD1-CB 3.46Å; D163-S165 PolarHBondContact OD1-N 3.07Å; D163-S165 PolarHBondContact OD1-OG 3.21Å; D163-S165 PolarHBondContact OD2-OG 3.26Å |
| 166 | K | 60.1 | Low | 58.9 | Low | 157 Ų | 157 | 87.7 Ų | 87.7 | 68% | 0.683 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -93.9 | -5.1 | -178.1 | -64.9 | -170.3 | 170.3 | 76.5 | 0 | 113.8 | D163 L164 K168 | D163-K166 HydrophobicContact CB-CD 4.28Å; D163-K166 HydrophobicContact CB-CG 4.23Å; D163-K166 PolarHBondContact O-N 3.06Å; D163-K166 IonicContact OD2-NZ 3.54Å; D163-K166 PolarHBondContact OD2-NZ 3.41Å; L164-K166 PolarHBondContact O-N 3.2Å; K166-K168 PolarHBondContact O-N 3.13Å |
| 167 | V | 63.9 | Low | 59.1 | Low | 49 Ų | 49 | 82.3 Ų | 82.3 | 30% | 0.297 | 42% | 0.424 | S | S | . | . | trans | -103.5 | 89.2 | -168.5 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | M72 F73 L164 V169 | M72-V167 HydrophobicContact CE-CB 3.57Å; M72-V167 HydrophobicContact CE-CG1 3.68Å; M72-V167 HydrophobicContact CE-CG2 3.38Å; F73-V167 HydrophobicContact CE2-CG1 3.92Å; F73-V167 HydrophobicContact CZ-CG1 3.87Å; L164-V167 PolarHBondContact O-N 2.95Å; V167-V169 HydrophobicContact CG1-CG2 4Å | ||
| 168 | K | 58.9 | Low | 59.6 | Low | 127 Ų | 127 | 80.1 Ų | 80.1 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | trans | -80 | 119.7 | 172 | -55.8 | -158 | 173.7 | -152.3 | 0 | 109.8 | K166 N181 D183 | K166-K168 PolarHBondContact O-N 3.13Å; K168-N181 WeakPolarHBondContact CA-OD1 3.3Å; K168-D183 WeakPolarHBondContact CE-OD1 3.27Å; K168-D183 IonicContact NZ-OD1 2.59Å; K168-D183 PolarHBondContact NZ-OD1 2.87Å; K168-D183 IonicContact NZ-OD2 2.75Å; K168-D183 PolarHBondContact NZ-OD2 2.87Å | ||
| 169 | V | 60.1 | Low | 60.5 | Low | 24 Ų | 24 | 78.3 Ų | 78.3 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | trans | -107.8 | 99.9 | -173.6 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | F73 V167 K171 L172 L180 N181 | F73-V169 HydrophobicContact CD2-CG2 4.47Å; F73-V169 HydrophobicContact CE2-CG2 3.52Å; F73-V169 HydrophobicContact CZ-CG2 3.68Å; V167-V169 HydrophobicContact CG1-CG2 4Å; V169-K171 PolarHBondContact O-N 2.8Å; V169-L172 HydrophobicContact CG1-CB 4.02Å; V169-L172 HydrophobicContact CG1-CD1 4.02Å; V169-L172 HydrophobicContact CG1-CD2 4.42Å; V169-L172 HydrophobicContact CG1-CG 4.39Å; V169-L180 HydrophobicContact CG2-CD1 4.23Å; V169-N181 PolarHBondContact N-OD1 2.63Å; V169-N181 PolarHBondContact O-ND2 3.26Å | ||
| 170 | D | 49.6 | Very low | 61.4 | Low | 156 Ų | 156 | 69 Ų | 69 | 83% | 0.834 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.1 | 175.2 | -87.5 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 171 | K | 54.4 | Low | 61.9 | Low | 192 Ų | 192 | 67.3 Ų | 67.3 | 84% | 0.835 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 38.4 | 170.7 | -56.3 | 176.1 | -178.7 | 171.6 | 0 | 116.3 | V169 N173 | V169-K171 PolarHBondContact O-N 2.8Å; K171-N173 PolarHBondContact O-N 2.97Å |
| 172 | L | 54.5 | Low | 62.7 | Low | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | trans | -78.3 | 98.8 | 162.8 | -144.3 | 72.5 | 0 | 0 | 0 | 110.2 | N80 V169 N174 I176 | N80-L172 HydrophobicContact CB-CD1 4.44Å; N80-L172 HydrophobicContact CB-CD2 4.19Å; V169-L172 HydrophobicContact CG1-CB 4.02Å; V169-L172 HydrophobicContact CG1-CD1 4.02Å; V169-L172 HydrophobicContact CG1-CD2 4.42Å; V169-L172 HydrophobicContact CG1-CG 4.39Å; L172-N174 HydrophobicContact CG-CB 4.42Å; L172-N174 PolarHBondContact O-N 2.91Å; L172-I176 HydrophobicContact CD2-CB 4.03Å; L172-I176 HydrophobicContact CD2-CG2 3.74Å | ||
| 173 | N | 54.3 | Low | 63.2 | Low | 157 Ų | 157 | 65.7 Ų | 65.7 | 84% | 0.84 | 33% | 0.334 | S | S | * | . | trans | -71.9 | 37.5 | 178.8 | -69.1 | 1.2 | 0 | 0 | 0 | 113.5 | K171 | K171-N173 PolarHBondContact O-N 2.97Š| ||
| 174 | N | 63.7 | Low | 63.7 | Low | 31 Ų | 31 | 65.7 Ų | 65.7 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -136.1 | 159.1 | -171.3 | -89.9 | -69.6 | 0 | 0 | 0 | 110.8 | D78 M79 N80 L172 I176 G177 | D78-N174 PolarHBondContact O-ND2 2.8Å; M79-N174 PolarHBondContact SD-OD1 3.19Å; M79-N174 VanDerWaalsContact SD-OD1 3.36Å; N80-N174 PolarHBondContact ND2-ND2 2.57Å; L172-N174 HydrophobicContact CG-CB 4.42Å; L172-N174 PolarHBondContact O-N 2.91Å; N174-I176 PolarHBondContact O-N 3.08Å; N174-I176 VanDerWaalsContact O-N 3.14Å; N174-G177 WeakPolarHBondContact O-CA 3.22Å; N174-G177 PolarHBondContact O-N 2.76Å |
| 175 | P | 67.5 | Low | 64.1 | Low | 31 Ų | 31 | 66.6 Ų | 66.6 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53 | -34.8 | 178 | 18.6 | -32.8 | 0 | 0 | 0 | 114.1 | Y45 M79 G177 Y178 L179 F629 E630 | Y45-P175 HydrophobicContact CE1-CB 4.47Å; Y45-P175 HydrophobicContact CE1-CG 4.01Å; Y45-P175 WeakPolarHBondContact OH-CB 3.34Å; M79-P175 HydrophobicContact CE-CG 3.73Å; P175-G177 PolarHBondContact O-N 2.92Å; P175-G177 VanDerWaalsContact O-N 3.17Å; P175-Y178 WeakPolarHBondContact O-CB 3.35Å; P175-Y178 PolarHBondContact O-N 3.24Å; P175-L179 PolarHBondContact O-N 3.08Å; P175-F629 HydrophobicContact CB-CE2 3.49Å; P175-F629 VanDerWaalsContact CB-CE2 3.49Å; P175-F629 HydrophobicContact CB-CZ 3.84Å; P175-F629 WeakPolarHBondContact O-CE2 3.46Å; P175-E630 HydrophobicContact CB-CG 4.04Å; P175-E630 WeakPolarHBondContact CG-OE1 3.35Å |
| 176 | I | 70.5 | Confident | 64.9 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57 | -29 | 173.2 | -69.5 | -176.5 | 0 | 0 | 0 | 113 | Y45 N80 I82 L172 N174 Y178 L179 L180 | Y45-I176 HydrophobicContact CD1-CD1 3.7Å; Y45-I176 HydrophobicContact CD1-CG1 3.55Å; Y45-I176 HydrophobicContact CD2-CG1 4.37Å; Y45-I176 HydrophobicContact CE1-CG1 4.04Å; Y45-I176 HydrophobicContact CG-CD1 3.93Å; Y45-I176 HydrophobicContact CG-CG1 3.75Å; N80-I176 WeakPolarHBondContact O-CD1 3.42Å; I82-I176 HydrophobicContact CG1-CD1 4.35Å; I82-I176 HydrophobicContact CG1-CG2 4.48Å; L172-I176 HydrophobicContact CD2-CB 4.03Å; L172-I176 HydrophobicContact CD2-CG2 3.74Å; N174-I176 PolarHBondContact O-N 3.08Å; N174-I176 VanDerWaalsContact O-N 3.14Å; I176-Y178 PolarHBondContact O-N 3.36Å; I176-L179 WeakPolarHBondContact O-CB 3.25Å; I176-L179 PolarHBondContact O-N 3.22Å; I176-L179 VanDerWaalsContact O-N 3.15Å; I176-L180 HydrophobicContact CG2-CD1 3.39Å; I176-L180 HydrophobicContact CG2-CG 3.78Å; I176-L180 WeakPolarHBondContact O-CG 3.5Å; I176-L180 PolarHBondContact O-N 3.13Å |
| 177 | G | 67.6 | Low | 65.7 | Low | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N174 P175 N181 | N174-G177 WeakPolarHBondContact O-CA 3.22Å; N174-G177 PolarHBondContact O-N 2.76Å; P175-G177 PolarHBondContact O-N 2.92Å; P175-G177 VanDerWaalsContact O-N 3.17Å; G177-N181 WeakPolarHBondContact O-CB 3.45Å; G177-N181 PolarHBondContact O-N 2.91Å; G177-N181 VanDerWaalsContact O-N 3.12Å; G177-N181 PolarHBondContact O-ND2 3.47Å |
| 178 | Y | 71.7 | Confident | 66.5 | Low | 104 Ų | 104 | 59.4 Ų | 59.4 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.7 | -44.3 | 171.9 | 175.2 | -106.2 | 0 | 0 | 0 | 111.6 | K92 P175 I176 L180 S182 E184 F185 F629 | K92-Y178 PolarHBondContact NZ-OH 3.31Å; P175-Y178 WeakPolarHBondContact O-CB 3.35Å; P175-Y178 PolarHBondContact O-N 3.24Å; I176-Y178 PolarHBondContact O-N 3.36Å; Y178-L180 VanDerWaalsContact C-N 3.27Å; Y178-L180 PolarHBondContact O-N 3.25Å; Y178-S182 VanDerWaalsContact O-CB 3.27Å; Y178-S182 WeakPolarHBondContact O-CB 3.46Å; Y178-S182 PolarHBondContact O-N 3.46Å; Y178-E184 PolarHBondContact OH-OE2 2.81Å; Y178-F185 HydrophobicContact CD1-CE2 4.42Å; Y178-F185 HydrophobicContact CE1-CE2 4.02Å; Y178-F185 HydrophobicContact CE1-CZ 4.04Å; Y178-F629 HydrophobicContact CD1-CB 4.22Å; Y178-F629 AromaticContact CD1-CD2 3.64Å; Y178-F629 HydrophobicContact CD1-CD2 3.64Å; Y178-F629 HydrophobicContact CD1-CE2 4.12Å; Y178-F629 AromaticContact CD1-CG 3.97Å; Y178-F629 HydrophobicContact CD1-CG 3.97Å; Y178-F629 HydrophobicContact CE1-CB 4.01Å; Y178-F629 HydrophobicContact CE1-CD2 4.29Å; Y178-F629 HydrophobicContact CE1-CG 4.21Å |
| 179 | L | 72.7 | Confident | 67.7 | Low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -33.7 | -179.2 | -165.6 | 77.2 | 0 | 0 | 0 | 113.7 | N42 Y45 I82 P175 I176 F185 W187 F629 | N42-L179 HydrophobicContact CB-CD1 4.5Å; Y45-L179 HydrophobicContact CD2-CD2 4Å; I82-L179 HydrophobicContact CD1-CD2 4.12Å; P175-L179 PolarHBondContact O-N 3.08Å; I176-L179 WeakPolarHBondContact O-CB 3.25Å; I176-L179 PolarHBondContact O-N 3.22Å; I176-L179 VanDerWaalsContact O-N 3.15Å; L179-F185 HydrophobicContact CD1-CE1 4.43Å; L179-F185 HydrophobicContact CD1-CZ 4.32Å; L179-F185 VanDerWaalsContact O-CD2 3.32Å; L179-F185 WeakPolarHBondContact O-CD2 3.48Å; L179-W187 HydrophobicContact CD1-CH2 4Å; L179-W187 HydrophobicContact CD1-CZ2 3.72Å; L179-W187 HydrophobicContact CD2-CH2 4.18Å; L179-W187 HydrophobicContact CD2-CZ2 4.05Å; L179-W187 HydrophobicContact CG-CH2 4.15Å; L179-W187 HydrophobicContact CG-CZ2 3.63Å; L179-F629 HydrophobicContact CB-CZ 4.49Å; L179-F629 HydrophobicContact CD1-CE1 3.94Å; L179-F629 HydrophobicContact CD1-CZ 4.41Å |
| 180 | L | 70.4 | Confident | 68.9 | Low | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -102.4 | -36.8 | -175.6 | -61.1 | -179.3 | 0 | 0 | 0 | 114.3 | F73 I82 L164 V169 I176 Y178 S182 | F73-L180 HydrophobicContact CD1-CD1 4.37Å; F73-L180 HydrophobicContact CE1-CD1 3.36Å; F73-L180 HydrophobicContact CZ-CD1 3.57Å; I82-L180 HydrophobicContact CD1-CD2 4.07Å; L164-L180 HydrophobicContact CD1-CD2 3.57Å; L164-L180 HydrophobicContact CD2-CD2 3.94Å; L164-L180 HydrophobicContact CG-CD2 3.62Å; V169-L180 HydrophobicContact CG2-CD1 4.23Å; I176-L180 HydrophobicContact CG2-CD1 3.39Å; I176-L180 HydrophobicContact CG2-CG 3.78Å; I176-L180 WeakPolarHBondContact O-CG 3.5Å; I176-L180 PolarHBondContact O-N 3.13Å; Y178-L180 VanDerWaalsContact C-N 3.27Å; Y178-L180 PolarHBondContact O-N 3.25Å; L180-S182 VanDerWaalsContact C-N 3.35Å |
| 181 | N | 63.8 | Low | 70.8 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -84.3 | -11.3 | -178.3 | -63.2 | -32 | 0 | 0 | 0 | 113.2 | K168 V169 G177 D183 | K168-N181 WeakPolarHBondContact CA-OD1 3.3Å; V169-N181 PolarHBondContact N-OD1 2.63Å; V169-N181 PolarHBondContact O-ND2 3.26Å; G177-N181 WeakPolarHBondContact O-CB 3.45Å; G177-N181 PolarHBondContact O-N 2.91Å; G177-N181 VanDerWaalsContact O-N 3.12Å; G177-N181 PolarHBondContact O-ND2 3.47Å; N181-D183 PolarHBondContact O-N 3.06Å |
| 182 | S | 66.8 | Low | 72.5 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | trans | -79.7 | 112.6 | 168.8 | -167 | 0 | 0 | 0 | 0 | 110.2 | Y178 L180 E184 F185 | Y178-S182 VanDerWaalsContact O-CB 3.27Å; Y178-S182 WeakPolarHBondContact O-CB 3.46Å; Y178-S182 PolarHBondContact O-N 3.46Å; L180-S182 VanDerWaalsContact C-N 3.35Å; S182-E184 PolarHBondContact O-N 2.8Å; S182-E184 WeakPolarHBondContact OG-CB 3.39Å; S182-E184 WeakPolarHBondContact OG-CG 3.34Å; S182-E184 PolarHBondContact OG-OE2 2.76Å; S182-F185 PolarHBondContact O-N 3.36Å | ||
| 183 | D | 66 | Low | 74.4 | Confident | 103 Ų | 103 | 48.2 Ų | 48.2 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 3.3 | 173.2 | -62.5 | -45.5 | 0 | 0 | 0 | 113.2 | K168 N181 | K168-D183 WeakPolarHBondContact CE-OD1 3.27Å; K168-D183 IonicContact NZ-OD1 2.59Å; K168-D183 PolarHBondContact NZ-OD1 2.87Å; K168-D183 IonicContact NZ-OD2 2.75Å; K168-D183 PolarHBondContact NZ-OD2 2.87Å; N181-D183 PolarHBondContact O-N 3.06Å |
| 184 | E | 73.7 | Confident | 76.2 | Confident | 59 Ų | 59 | 46.5 Ų | 46.5 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -23.5 | 176.8 | -61.7 | 171.7 | 128.3 | 0 | 0 | 114.1 | K92 L93 Y178 S182 | K92-E184 CarbonylContact C-O 3.48Å; K92-E184 VanDerWaalsContact CA-O 3.29Å; K92-E184 WeakPolarHBondContact CA-O 3.27Å; K92-E184 HydrophobicContact CB-CB 4.28Å; K92-E184 HydrophobicContact CD-CB 3.9Å; K92-E184 HydrophobicContact CD-CG 4.45Å; K92-E184 WeakPolarHBondContact CE-OE2 3.49Å; K92-E184 HydrophobicContact CG-CB 4.03Å; K92-E184 VanDerWaalsContact NZ-CD 3.32Å; K92-E184 IonicContact NZ-OE1 3.15Å; K92-E184 PolarHBondContact NZ-OE1 3.29Å; K92-E184 IonicContact NZ-OE2 3.91Å; K92-E184 PolarHBondContact NZ-OE2 3.26Å; L93-E184 WeakPolarHBondContact CB-O 3.4Å; L93-E184 PolarHBondContact N-O 2.87Å; Y178-E184 PolarHBondContact OH-OE2 2.81Å; S182-E184 PolarHBondContact O-N 2.8Å; S182-E184 WeakPolarHBondContact OG-CB 3.39Å; S182-E184 WeakPolarHBondContact OG-CG 3.34Å; S182-E184 PolarHBondContact OG-OE2 2.76Å |
| 185 | F | 74.2 | Confident | 77.6 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | trans | -93.6 | 114.3 | -171.9 | -67 | -80.8 | 0 | 0 | 0 | 112.8 | C89 K92 Y178 L179 S182 W187 | C89-F185 HydrophobicContact CB-CD1 4.32Å; K92-F185 HydrophobicContact CG-CD1 4.41Å; K92-F185 HydrophobicContact CG-CE1 4.34Å; Y178-F185 HydrophobicContact CD1-CE2 4.42Å; Y178-F185 HydrophobicContact CE1-CE2 4.02Å; Y178-F185 HydrophobicContact CE1-CZ 4.04Å; L179-F185 HydrophobicContact CD1-CE1 4.43Å; L179-F185 HydrophobicContact CD1-CZ 4.32Å; L179-F185 VanDerWaalsContact O-CD2 3.32Å; L179-F185 WeakPolarHBondContact O-CD2 3.48Å; S182-F185 PolarHBondContact O-N 3.36Å; F185-W187 HydrophobicContact CB-CZ2 4.01Å; F185-W187 VanDerWaalsContact CB-NE1 3.32Å; F185-W187 HydrophobicContact CD1-CZ2 4.24Å; F185-W187 HydrophobicContact CG-CZ2 4.19Å; F185-W187 PolarHBondContact O-N 3.36Å | ||
| 186 | N | 77.4 | Confident | 79 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | trans | -90.4 | 93.2 | 176.8 | -172.2 | 20.4 | 0 | 0 | 0 | 111 | C89 L93 T188 | C89-N186 PolarHBondContact SG-N 2.98Å; C89-N186 VanDerWaalsContact SG-N 3.43Å; L93-N186 HydrophobicContact CB-CB 4.36Å; L93-N186 HydrophobicContact CD1-CB 4.35Å; N186-T188 PolarHBondContact O-N 2.83Å | ||
| 187 | W | 78.6 | Confident | 80.2 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | trans | -77.8 | 101.3 | -175.6 | -68.7 | 102.8 | 0 | 0 | 0 | 112.9 | N42 F46 K87 C89 L164 L179 F185 | N42-W187 HydrophobicContact CB-CH2 4.25Å; F46-W187 HydrophobicContact CE2-CZ3 4.1Å; F46-W187 HydrophobicContact CZ-CE3 4.17Å; F46-W187 HydrophobicContact CZ-CZ3 4.07Å; K87-W187 HydrophobicContact CB-CB 4.09Å; K87-W187 HydrophobicContact CB-CE3 3.95Å; K87-W187 HydrophobicContact CD-CB 4.24Å; K87-W187 WeakPolarHBondContact O-CZ3 3.38Å; C89-W187 HydrophobicContact CB-CE3 4.48Å; C89-W187 HydrophobicContact CB-CH2 4.46Å; C89-W187 HydrophobicContact CB-CZ3 4.42Å; L164-W187 HydrophobicContact CB-CB 4.18Å; L164-W187 HydrophobicContact CB-CG 4.26Å; L164-W187 HydrophobicContact CD2-CB 4.27Å; L164-W187 HydrophobicContact CD2-CD2 3.85Å; L164-W187 HydrophobicContact CD2-CE3 4.33Å; L164-W187 HydrophobicContact CD2-CG 3.76Å; L164-W187 HydrophobicContact CG-CG 4.25Å; L179-W187 HydrophobicContact CD1-CH2 4Å; L179-W187 HydrophobicContact CD1-CZ2 3.72Å; L179-W187 HydrophobicContact CD2-CH2 4.18Å; L179-W187 HydrophobicContact CD2-CZ2 4.05Å; L179-W187 HydrophobicContact CG-CH2 4.15Å; L179-W187 HydrophobicContact CG-CZ2 3.63Å; F185-W187 HydrophobicContact CB-CZ2 4.01Å; F185-W187 VanDerWaalsContact CB-NE1 3.32Å; F185-W187 HydrophobicContact CD1-CZ2 4.24Å; F185-W187 HydrophobicContact CG-CZ2 4.19Å; F185-W187 PolarHBondContact O-N 3.36Å | ||
| 188 | T | 80.1 | Confident | 81.4 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 17% | 0.166 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 154.9 | -175.1 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | K87 F88 F120 N186 | K87-T188 VanDerWaalsContact CA-O 3.25Å; K87-T188 WeakPolarHBondContact CA-O 3.44Å; K87-T188 WeakPolarHBondContact CB-O 3.38Å; F88-T188 WeakPolarHBondContact CE1-OG1 3.43Å; F88-T188 PolarHBondContact N-O 3.17Å; F88-T188 PolarHBondContact O-N 3.1Å; F88-T188 PolarHBondContact O-OG1 3.1Å; F88-T188 VanDerWaalsContact O-OG1 3.11Å; F120-T188 HydrophobicContact CE2-CG2 4.09Å; N186-T188 PolarHBondContact O-N 2.83Å |
| 189 | K | 83.6 | Confident | 82.6 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 48% | 0.483 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 151.3 | 165.8 | -80.2 | -160 | 172.1 | -162 | 0 | 109 | F88 E157 | F88-K189 WeakPolarHBondContact CE1-O 3.28Å; E157-K189 IonicContact OE1-NZ 3.05Å; E157-K189 PolarHBondContact OE1-NZ 3.32Å |
| 190 | F | 86.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -60.6 | 149.4 | 170.9 | -73.4 | -92.5 | 0 | 0 | 0 | 111.8 | M38 L43 F86 F88 L148 L149 L152 | M38-F190 HydrophobicContact CE-CD1 4.36Å; M38-F190 HydrophobicContact CE-CE1 3.72Å; L43-F190 HydrophobicContact CD1-CZ 4.27Å; L43-F190 HydrophobicContact CD2-CE2 4.42Å; L43-F190 HydrophobicContact CD2-CZ 4.22Å; F86-F190 HydrophobicContact CB-CE2 4.04Å; F88-F190 HydrophobicContact CB-CE1 4.31Å; F88-F190 HydrophobicContact CB-CE2 4.17Å; F88-F190 HydrophobicContact CB-CZ 3.8Å; F88-F190 AromaticContact CD1-CD1 3.97Å; F88-F190 HydrophobicContact CD1-CD1 3.97Å; F88-F190 HydrophobicContact CD1-CD2 4.09Å; F88-F190 AromaticContact CD1-CE1 3.96Å; F88-F190 HydrophobicContact CD1-CE1 3.96Å; F88-F190 HydrophobicContact CD1-CE2 4.07Å; F88-F190 HydrophobicContact CD1-CG 4.04Å; F88-F190 HydrophobicContact CD1-CZ 4.01Å; F88-F190 HydrophobicContact CE1-CD1 4.15Å; F88-F190 HydrophobicContact CE1-CE1 4.49Å; F88-F190 HydrophobicContact CE1-CG 4.27Å; F88-F190 HydrophobicContact CG-CE1 4.08Å; F88-F190 HydrophobicContact CG-CE2 4.44Å; F88-F190 HydrophobicContact CG-CZ 4.04Å; L148-F190 HydrophobicContact CD2-CD1 4.2Å; L148-F190 HydrophobicContact CD2-CE1 3.84Å; L149-F190 HydrophobicContact CD2-CB 4.38Å; L152-F190 HydrophobicContact CD1-CB 4.01Å; L152-F190 HydrophobicContact CD1-CD1 4.15Å; L152-F190 HydrophobicContact CD1-CD2 3.65Å; L152-F190 HydrophobicContact CD1-CE2 4.15Å; L152-F190 HydrophobicContact CD1-CG 3.66Å; L152-F190 HydrophobicContact CD2-CD2 4.39Å; L152-F190 HydrophobicContact CD2-CE2 4.48Å |
| 191 | Y | 89.6 | Confident | 84.9 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 160 | -177.2 | 39.7 | -110.9 | 0 | 0 | 0 | 113.5 | M38 F88 L116 P119 F120 E123 I145 L149 V196 | M38-Y191 HydrophobicContact SD-CE1 4.12Å; F88-Y191 HydrophobicContact CZ-CD1 4.44Å; L116-Y191 VanDerWaalsContact O-CE1 3.24Å; L116-Y191 WeakPolarHBondContact O-CE1 3.24Å; L116-Y191 PolarHBondContact O-OH 2.6Å; P119-Y191 HydrophobicContact CB-CD1 3.76Å; P119-Y191 HydrophobicContact CB-CD2 3.69Å; P119-Y191 HydrophobicContact CB-CE1 3.95Å; P119-Y191 HydrophobicContact CB-CE2 3.91Å; P119-Y191 HydrophobicContact CB-CG 3.59Å; P119-Y191 HydrophobicContact CG-CD1 4.45Å; P119-Y191 HydrophobicContact CG-CD2 4.21Å; P119-Y191 HydrophobicContact CG-CE1 4.14Å; P119-Y191 HydrophobicContact CG-CE2 3.91Å; P119-Y191 HydrophobicContact CG-CG 4.45Å; F120-Y191 HydrophobicContact CB-CD1 4Å; F120-Y191 HydrophobicContact CB-CE1 4.41Å; E123-Y191 WeakPolarHBondContact OE2-CB 3.02Å; I145-Y191 HydrophobicContact CG2-CE2 3.99Å; L149-Y191 HydrophobicContact CD1-CE2 4.49Å; Y191-V196 HydrophobicContact CD2-CG2 3.56Å; Y191-V196 HydrophobicContact CE2-CG2 3.59Å |
| 192 | T | 90.1 | Very high | 86.4 | Confident | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 156.9 | 179.9 | 70.1 | 0 | 0 | 0 | 0 | 112.9 | E123 E194 S195 V196 | E123-T192 PolarHBondContact OE2-N 2.91Å; T192-E194 PolarHBondContact O-N 2.69Å; T192-S195 WeakPolarHBondContact O-CB 3.45Å; T192-S195 PolarHBondContact O-N 3.12Å; T192-S195 PolarHBondContact OG1-N 3.36Å; T192-S195 PolarHBondContact OG1-OG 2.67Å; T192-V196 WeakPolarHBondContact O-CG2 3.47Å; T192-V196 PolarHBondContact O-N 2.68Å |
| 193 | R | 93.3 | Very high | 87.9 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -32.4 | 173.8 | -73.6 | -175.6 | 172.7 | 93.2 | -5.1 | 111.9 | L149 C150 D153 S195 V196 I197 | L149-R193 HydrophobicContact CD1-CG 3.87Å; C150-R193 PolarHBondContact SG-NH2 2.65Å; C150-R193 VanDerWaalsContact SG-NH2 3.45Å; D153-R193 IonicContact OD1-NH1 2.63Å; D153-R193 PolarHBondContact OD1-NH1 2.93Å; D153-R193 IonicContact OD2-CZ 3.07Å; D153-R193 IonicContact OD2-NH1 3.83Å; D153-R193 PolarHBondContact OD2-NH1 2.62Å; D153-R193 IonicContact OD2-NH2 2.72Å; D153-R193 PolarHBondContact OD2-NH2 2.82Å; R193-S195 VanDerWaalsContact C-N 3.32Å; R193-V196 WeakPolarHBondContact O-CB 3.43Å; R193-V196 PolarHBondContact O-N 2.91Å; R193-I197 WeakPolarHBondContact O-CG1 3.39Å; R193-I197 PolarHBondContact O-N 3.42Å |
| 194 | E | 93.1 | Very high | 89.4 | Confident | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.8 | -36.8 | 173.2 | -66.7 | 73.4 | -168.9 | 0 | 0 | 111.8 | T192 K198 | T192-E194 PolarHBondContact O-N 2.69Å; E194-K198 WeakPolarHBondContact O-CD 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.44Å; E194-K198 PolarHBondContact O-N 2.99Å |
| 195 | S | 93.2 | Very high | 90.6 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 172.7 | -61 | 0 | 0 | 0 | 0 | 112.2 | E123 T192 R193 K198 A199 | E123-S195 VanDerWaalsContact CD-OG 3.3Å; E123-S195 WeakPolarHBondContact OE2-CB 3.33Å; E123-S195 PolarHBondContact OE2-OG 2.88Å; T192-S195 WeakPolarHBondContact O-CB 3.45Å; T192-S195 PolarHBondContact O-N 3.12Å; T192-S195 PolarHBondContact OG1-N 3.36Å; T192-S195 PolarHBondContact OG1-OG 2.67Å; R193-S195 VanDerWaalsContact C-N 3.32Å; S195-K198 PolarHBondContact O-N 2.74Å; S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.3Å; S195-A199 PolarHBondContact O-N 2.71Å |
| 196 | V | 95.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -53 | 173.2 | 177 | 0 | 0 | 0 | 0 | 110.5 | P119 I145 L149 Y191 T192 R193 K198 A199 L200 | P119-V196 HydrophobicContact CB-CG2 4.1Å; P119-V196 HydrophobicContact CG-CB 4.41Å; P119-V196 HydrophobicContact CG-CG2 4Å; I145-V196 HydrophobicContact CD1-CG1 4.27Å; I145-V196 HydrophobicContact CG2-CB 4.31Å; I145-V196 HydrophobicContact CG2-CG1 3.74Å; I145-V196 HydrophobicContact CG2-CG2 3.55Å; L149-V196 HydrophobicContact CD1-CG2 4Å; Y191-V196 HydrophobicContact CD2-CG2 3.56Å; Y191-V196 HydrophobicContact CE2-CG2 3.59Å; T192-V196 WeakPolarHBondContact O-CG2 3.47Å; T192-V196 PolarHBondContact O-N 2.68Å; R193-V196 WeakPolarHBondContact O-CB 3.43Å; R193-V196 PolarHBondContact O-N 2.91Å; V196-K198 PolarHBondContact O-N 3.34Å; V196-A199 PolarHBondContact O-N 2.76Å; V196-A199 VanDerWaalsContact O-N 3.16Å; V196-L200 HydrophobicContact CG1-CD1 3.88Å; V196-L200 HydrophobicContact CG1-CG 4.24Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å |
| 197 | I | 95.7 | Very high | 92.6 | Very high | 91 Ų | 91 | 55 Ų | 55 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.8 | -50.8 | -179.6 | -66.7 | 164.1 | 0 | 0 | 0 | 110.3 | R193 A199 L200 D201 | R193-I197 WeakPolarHBondContact O-CG1 3.39Å; R193-I197 PolarHBondContact O-N 3.42Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.66Å; I197-L200 PolarHBondContact O-N 3.14Å; I197-D201 WeakPolarHBondContact CG2-OD2 3.23Å; I197-D201 WeakPolarHBondContact O-CB 3.38Å; I197-D201 PolarHBondContact O-N 2.94Å |
| 198 | K | 93.7 | Very high | 93.5 | Very high | 126 Ų | 126 | 55.8 Ų | 55.8 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 177.4 | -69.5 | 165.1 | -168.5 | 164.6 | 0 | 113.3 | E194 S195 V196 N202 | E194-K198 WeakPolarHBondContact O-CD 3.31Å; E194-K198 WeakPolarHBondContact O-CG 3.44Å; E194-K198 PolarHBondContact O-N 2.99Å; S195-K198 PolarHBondContact O-N 2.74Å; V196-K198 PolarHBondContact O-N 3.34Å; K198-N202 PolarHBondContact O-ND2 2.83Å |
| 199 | A | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L118 P119 F122 S195 V196 I197 I203 | L118-A199 HydrophobicContact CB-CB 4.4Å; P119-A199 HydrophobicContact CB-CB 4.13Å; P119-A199 HydrophobicContact CG-CB 4.06Å; F122-A199 HydrophobicContact CB-CB 4.23Å; F122-A199 HydrophobicContact CD2-CB 3.51Å; F122-A199 HydrophobicContact CE2-CB 4.14Å; F122-A199 HydrophobicContact CG-CB 4.09Å; S195-A199 VanDerWaalsContact O-CB 3.28Å; S195-A199 WeakPolarHBondContact O-CB 3.3Å; S195-A199 PolarHBondContact O-N 2.71Å; V196-A199 PolarHBondContact O-N 2.76Å; V196-A199 VanDerWaalsContact O-N 3.16Å; I197-A199 VanDerWaalsContact C-N 3.32Å; I197-A199 PolarHBondContact O-N 2.66Å; A199-I203 WeakPolarHBondContact O-CG1 3.39Å |
| 200 | L | 96.7 | Very high | 95 | Very high | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -38.2 | 179.2 | -59.2 | -176.9 | 0 | 0 | 0 | 112.4 | I115 V138 K142 V196 I197 N202 I203 | I115-L200 HydrophobicContact CG2-CD2 3.71Å; V138-L200 HydrophobicContact CG1-CD2 4.31Å; K142-L200 HydrophobicContact CB-CD1 3.74Å; K142-L200 HydrophobicContact CD-CD1 3.85Å; K142-L200 HydrophobicContact CG-CD1 3.67Å; V196-L200 HydrophobicContact CG1-CD1 3.88Å; V196-L200 HydrophobicContact CG1-CG 4.24Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å; I197-L200 PolarHBondContact O-N 3.14Å; L200-N202 PolarHBondContact O-N 3.41Å; L200-I203 HydrophobicContact CD2-CD1 3.8Å; L200-I203 WeakPolarHBondContact O-CB 3.3Å; L200-I203 WeakPolarHBondContact O-CG1 3.47Å; L200-I203 PolarHBondContact O-N 2.9Å |
| 201 | D | 95.8 | Very high | 95.5 | Very high | 128 Ų | 128 | 59.7 Ų | 59.7 | 68% | 0.684 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.3 | -17.8 | 178.3 | -71.5 | -12.8 | 0 | 0 | 0 | 113.5 | I197 | I197-D201 WeakPolarHBondContact CG2-OD2 3.23Å; I197-D201 WeakPolarHBondContact O-CB 3.38Å; I197-D201 PolarHBondContact O-N 2.94Å |
| 202 | N | 95.1 | Very high | 95.9 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -7.1 | 174.6 | -80.5 | -75.2 | 0 | 0 | 0 | 113.8 | F122 K198 L200 H204 | F122-N202 HydrophobicContact CE1-CB 4.11Å; F122-N202 HydrophobicContact CZ-CB 3.76Å; K198-N202 PolarHBondContact O-ND2 2.83Å; L200-N202 PolarHBondContact O-N 3.41Å; N202-H204 PolarHBondContact O-N 3.2Å; N202-H204 PolarHBondContact O-ND1 3.46Å; N202-H204 VanDerWaalsContact O-ND1 3.13Å |
| 203 | I | 97.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.072 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.7 | -178.9 | -54.1 | 177.6 | 0 | 0 | 0 | 110 | I115 L118 V131 A133 V138 A199 L200 L205 | I115-I203 HydrophobicContact CD1-CD1 3.79Å; L118-I203 HydrophobicContact CD1-CD1 3.59Å; L118-I203 HydrophobicContact CD1-CG1 4.25Å; V131-I203 HydrophobicContact CB-CG1 4.22Å; V131-I203 HydrophobicContact CG1-CG1 4.01Å; V131-I203 HydrophobicContact CG1-CG2 4.27Å; A133-I203 HydrophobicContact CB-CG2 3.67Å; V138-I203 HydrophobicContact CG1-CD1 4.27Å; V138-I203 HydrophobicContact CG2-CB 4.35Å; V138-I203 HydrophobicContact CG2-CD1 3.88Å; V138-I203 HydrophobicContact CG2-CG2 3.81Å; A199-I203 WeakPolarHBondContact O-CG1 3.39Å; L200-I203 HydrophobicContact CD2-CD1 3.8Å; L200-I203 WeakPolarHBondContact O-CB 3.3Å; L200-I203 WeakPolarHBondContact O-CG1 3.47Å; L200-I203 PolarHBondContact O-N 2.9Å; I203-L205 HydrophobicContact CG2-CD2 4.43Å |
| 204 | H | 97.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 58.1 Ų | 58.1 | 37% | 0.366 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.9 | 171.2 | -64.4 | 44.5 | 0 | 0 | 0 | 108.1 | V131 F132 A133 N202 | V131-H204 WeakPolarHBondContact O-CB 3.46Å; V131-H204 PolarHBondContact O-N 3.28Å; F132-H204 WeakPolarHBondContact CA-O 3.43Å; F132-H204 HydrophobicContact CD1-CB 3.49Å; F132-H204 VanDerWaalsContact CD1-CB 3.49Å; F132-H204 HydrophobicContact CE1-CB 3.56Å; F132-H204 AromaticContact CE1-CD2 3.98Å; F132-H204 HydrophobicContact CG-CB 4.43Å; A133-H204 PolarHBondContact N-O 3.31Å; N202-H204 PolarHBondContact O-N 3.2Å; N202-H204 PolarHBondContact O-ND1 3.46Å; N202-H204 VanDerWaalsContact O-ND1 3.13Å |
| 205 | L | 98.3 | Very high | 96 | Very high | 84 Ų | 84 | 58 Ų | 58 | 44% | 0.44 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 140 | -179.6 | -54.6 | -178.1 | 0 | 0 | 0 | 110.4 | A133 E135 V138 I203 | A133-L205 CarbonylContact O-C 3.57Å; A133-L205 WeakPolarHBondContact O-CA 3.47Å; E135-L205 HydrophobicContact CB-CD1 4.1Å; E135-L205 HydrophobicContact CB-CD2 4.44Å; E135-L205 HydrophobicContact CG-CD1 3.99Å; V138-L205 HydrophobicContact CB-CD2 4.43Å; V138-L205 HydrophobicContact CG2-CD2 3.85Å; I203-L205 HydrophobicContact CG2-CD2 4.43Å |
| 206 | V | 97.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | trans | -135.1 | 134.7 | -178.3 | -171.7 | 0 | 0 | 0 | 0 | 109.8 | F132 A133 T134 E210 V212 W234 | F132-V206 HydrophobicContact CB-CG2 4Å; F132-V206 HydrophobicContact CD1-CG2 3.6Å; F132-V206 HydrophobicContact CG-CG2 4.22Å; A133-V206 PolarHBondContact O-N 2.97Å; T134-V206 WeakPolarHBondContact CA-O 3.48Å; V206-E210 WeakPolarHBondContact CA-OE2 3.04Å; V206-E210 HydrophobicContact CG1-CB 3.94Å; V206-E210 HydrophobicContact CG1-CG 4.37Å; V206-V212 HydrophobicContact CG1-CG2 3.8Å; V206-V212 HydrophobicContact CG2-CG2 4.02Å; V206-W234 HydrophobicContact CB-CH2 4.46Å; V206-W234 HydrophobicContact CG2-CH2 4.49Å | ||
| 207 | A | 97.5 | Very high | 95.3 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | trans | -84.6 | 163 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E210 | A207-E210 HydrophobicContact CB-CB 4.26Å; A207-E210 PolarHBondContact N-OE2 2.81Å; A207-E210 WeakPolarHBondContact O-CB 3.15Å; A207-E210 PolarHBondContact O-N 3.17Å | ||
| 208 | Y | 97.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 59 Ų | 59 | 14% | 0.137 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -59.2 | 141.9 | 171.3 | -69.1 | -42.5 | 0 | 0 | 0 | 111.3 | T134 E210 G222 G230 S231 C232 L257 W447 | T134-Y208 HydrophobicContact CG2-CE1 4.38Å; Y208-E210 PolarHBondContact O-N 2.92Å; Y208-G222 CarbonylContact C-O 3.57Å; Y208-G222 WeakPolarHBondContact CA-O 3.34Å; Y208-G230 WeakPolarHBondContact OH-CA 3.32Å; Y208-S231 PolarHBondContact OH-O 2.95Å; Y208-C232 HydrophobicContact CD1-CB 4.41Å; Y208-C232 HydrophobicContact CE1-CB 3.84Å; Y208-L257 HydrophobicContact CD2-CD2 3.83Å; Y208-L257 HydrophobicContact CE2-CD2 3.67Å; Y208-W447 AromaticContact CD1-CZ3 4Å; Y208-W447 HydrophobicContact CD1-CZ3 4Å; Y208-W447 AromaticContact CD2-CE3 3.71Å; Y208-W447 HydrophobicContact CD2-CE3 3.71Å; Y208-W447 AromaticContact CD2-CZ3 3.7Å; Y208-W447 HydrophobicContact CD2-CZ3 3.7Å; Y208-W447 HydrophobicContact CE1-CE3 4.26Å; Y208-W447 AromaticContact CE1-CZ3 3.89Å; Y208-W447 HydrophobicContact CE1-CZ3 3.89Å; Y208-W447 HydrophobicContact CE2-CD2 4.32Å; Y208-W447 AromaticContact CE2-CE3 3.25Å; Y208-W447 HydrophobicContact CE2-CE3 3.25Å; Y208-W447 AromaticContact CE2-CZ3 3.59Å; Y208-W447 HydrophobicContact CE2-CZ3 3.59Å; Y208-W447 HydrophobicContact CG-CE3 4.38Å; Y208-W447 AromaticContact CG-CZ3 3.91Å; Y208-W447 HydrophobicContact CG-CZ3 3.91Å; Y208-W447 AromaticContact CZ-CE3 3.57Å; Y208-W447 AromaticContact CZ-CZ3 3.68Å |
| 209 | H | 96.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | -2.4 | -174.3 | -46.2 | -85.9 | 0 | 0 | 0 | 117.3 | P211 K221 G222 D260 | H209-P211 WeakPolarHBondContact O-CD 3.5Å; H209-K221 WeakPolarHBondContact O-CD 3.39Å; H209-K221 WeakPolarHBondContact O-CE 3.42Å; H209-K221 PolarHBondContact O-NZ 3.49Å; H209-K221 VanDerWaalsContact O-NZ 3.07Å; H209-G222 PolarHBondContact N-O 3.16Å; H209-D260 IonicContact CE1-OD2 3.74Å; H209-D260 PolarHBondContact CE1-OD2 3.06Å; H209-D260 IonicContact ND1-OD2 2.98Å; H209-D260 IonicContact NE2-OD2 3.13Å |
| 210 | E | 96.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | trans | -63.5 | 119.6 | -179.2 | -174.9 | 179.6 | 178 | 0 | 0 | 111.2 | V206 A207 Y208 V212 | V206-E210 WeakPolarHBondContact CA-OE2 3.04Å; V206-E210 HydrophobicContact CG1-CB 3.94Å; V206-E210 HydrophobicContact CG1-CG 4.37Å; A207-E210 HydrophobicContact CB-CB 4.26Å; A207-E210 PolarHBondContact N-OE2 2.81Å; A207-E210 WeakPolarHBondContact O-CB 3.15Å; A207-E210 PolarHBondContact O-N 3.17Å; Y208-E210 PolarHBondContact O-N 2.92Å; E210-V212 HydrophobicContact CG-CG2 4.37Å; E210-V212 PolarHBondContact O-N 3.38Å | ||
| 211 | P | 96.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 57.4 Ų | 57.4 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | trans | -79.1 | 106.4 | 176.8 | 29.7 | -29.8 | 0 | 0 | 0 | 110.9 | H209 T219 | H209-P211 WeakPolarHBondContact O-CD 3.5Å; P211-T219 HydrophobicContact CB-CG2 3.72Å | ||
| 212 | V | 97.8 | Very high | 95.6 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.158 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121 | 172 | -178 | 0 | 0 | 0 | 0 | 109.8 | F132 V206 E210 L214 T219 I220 | F132-V212 HydrophobicContact CD1-CG1 4.43Å; F132-V212 HydrophobicContact CE1-CG1 3.72Å; F132-V212 HydrophobicContact CZ-CG1 3.93Å; V206-V212 HydrophobicContact CG1-CG2 3.8Å; V206-V212 HydrophobicContact CG2-CG2 4.02Å; E210-V212 HydrophobicContact CG-CG2 4.37Å; E210-V212 PolarHBondContact O-N 3.38Å; V212-L214 HydrophobicContact CG1-CD2 4.46Å; V212-T219 CarbonylContact O-C 3.58Å; V212-T219 WeakPolarHBondContact O-CA 3.27Å; V212-I220 HydrophobicContact CB-CD1 4.27Å; V212-I220 HydrophobicContact CB-CG1 3.77Å; V212-I220 HydrophobicContact CG1-CG1 4.44Å; V212-I220 PolarHBondContact N-O 2.85Å; V212-I220 PolarHBondContact O-N 2.86Å |
| 213 | D | 96 | Very high | 95.8 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.2 | 174.1 | 179.9 | 83.1 | 0 | 0 | 0 | 111.7 | F215 G216 | D213-F215 PolarHBondContact OD2-N 2.78Å; D213-F215 VanDerWaalsContact OD2-N 3.15Å; D213-G216 WeakPolarHBondContact OD1-CA 3.28Å; D213-G216 PolarHBondContact OD1-N 3.14Å; D213-G216 PolarHBondContact OD2-N 3.1Å |
| 214 | L | 94 | Very high | 95.8 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 92.1 | 171 | -55.8 | -173.6 | 0 | 0 | 0 | 109.1 | L32 V106 F132 V212 G216 L217 L218 I220 | L32-L214 HydrophobicContact CD2-CD1 3.96Å; V106-L214 HydrophobicContact CG2-CD1 4.11Å; V106-L214 HydrophobicContact CG2-CD2 4.07Å; F132-L214 HydrophobicContact CE2-CD2 3.58Å; F132-L214 HydrophobicContact CZ-CD2 3.89Å; V212-L214 HydrophobicContact CG1-CD2 4.46Å; L214-G216 PolarHBondContact O-N 3.43Å; L214-L217 PolarHBondContact O-N 3.38Å; L214-L218 HydrophobicContact CB-CB 4.26Å; L214-L218 PolarHBondContact N-O 3.44Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-I220 HydrophobicContact CD1-CD1 4.36Å; L214-I220 HydrophobicContact CD1-CG2 3.57Å; L214-I220 HydrophobicContact CD2-CD1 4.2Å; L214-I220 HydrophobicContact CG-CD1 4.47Å; L214-I220 HydrophobicContact CG-CG1 4.44Å; L214-I220 HydrophobicContact CG-CG2 4.15Å |
| 215 | F | 89.9 | Confident | 95.8 | Very high | 116 Ų | 116 | 43 Ų | 43 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 21.9 | 169.2 | -38.7 | -76.5 | 0 | 0 | 0 | 115 | V30 D105 V106 D213 L217 | V30-F215 HydrophobicContact CG1-CD2 4.44Å; V30-F215 HydrophobicContact CG1-CE2 4.26Å; V30-F215 HydrophobicContact CG2-CD2 4.38Å; D105-F215 HydrophobicContact CB-CE2 3.96Å; D105-F215 HydrophobicContact CB-CZ 4.21Å; V106-F215 HydrophobicContact CG2-CE2 4.14Å; V106-F215 HydrophobicContact CG2-CZ 4.39Å; D213-F215 PolarHBondContact OD2-N 2.78Å; D213-F215 VanDerWaalsContact OD2-N 3.15Å; F215-L217 PolarHBondContact O-N 2.91Å |
| 216 | G | 86.4 | Confident | 95.6 | Very high | 59 Ų | 59 | 39 Ų | 39 | 61% | 0.608 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 11.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D213 L214 | D213-G216 WeakPolarHBondContact OD1-CA 3.28Å; D213-G216 PolarHBondContact OD1-N 3.14Å; D213-G216 PolarHBondContact OD2-N 3.1Å; L214-G216 PolarHBondContact O-N 3.43Å |
| 217 | L | 88 | Confident | 95.4 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -34.5 | -175.9 | -66.4 | 177.8 | 0 | 0 | 0 | 113 | V30 L214 F215 | V30-L217 HydrophobicContact CG2-CB 4.02Å; V30-L217 HydrophobicContact CG2-CD1 3.79Å; L214-L217 PolarHBondContact O-N 3.38Å; F215-L217 PolarHBondContact O-N 2.91Å |
| 218 | L | 94.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.1 | 178.6 | -51.3 | 168.7 | 0 | 0 | 0 | 109.5 | I27 V30 L32 L214 I236 T237 | I27-L218 HydrophobicContact CD1-CD2 4.4Å; I27-L218 HydrophobicContact CG1-CD2 4.39Å; I27-L218 HydrophobicContact CG2-CD1 3.78Å; I27-L218 HydrophobicContact CG2-CD2 4.06Å; V30-L218 HydrophobicContact CB-CD1 3.82Å; V30-L218 HydrophobicContact CG1-CD1 4.13Å; V30-L218 HydrophobicContact CG2-CD1 3.95Å; V30-L218 HydrophobicContact CG2-CG 4.29Å; L32-L218 HydrophobicContact CD1-CD1 4.2Å; L214-L218 HydrophobicContact CB-CB 4.26Å; L214-L218 PolarHBondContact N-O 3.44Å; L214-L218 PolarHBondContact O-N 3.05Å; L218-I236 HydrophobicContact CB-CG2 4.43Å; L218-I236 HydrophobicContact CD1-CG2 4.06Å; L218-I236 HydrophobicContact CD2-CG2 4.33Å; L218-T237 CarbonylContact C-O 3.6Å; L218-T237 VanDerWaalsContact CA-O 3.32Å; L218-T237 WeakPolarHBondContact CA-O 3.48Å |
| 219 | T | 96.8 | Very high | 95.2 | Very high | 44 Ų | 44 | 38 Ų | 38 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.7 | 163.5 | -50.5 | 0 | 0 | 0 | 0 | 108.2 | P211 V212 T237 | P211-T219 HydrophobicContact CB-CG2 3.72Å; V212-T219 CarbonylContact O-C 3.58Å; V212-T219 WeakPolarHBondContact O-CA 3.27Å; T219-T237 PolarHBondContact N-O 3.42Å; T219-T237 PolarHBondContact O-N 3.23Å; T219-T237 PolarHBondContact O-OG1 3.26Å |
| 220 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.1 | 174.5 | 63.1 | 175.3 | 0 | 0 | 0 | 111.1 | L108 F132 V212 L214 W234 I235 I236 | L108-I220 HydrophobicContact CD1-CG2 4.33Å; L108-I220 HydrophobicContact CD2-CD1 3.55Å; F132-I220 HydrophobicContact CB-CD1 4.28Å; F132-I220 HydrophobicContact CD2-CD1 3.8Å; F132-I220 HydrophobicContact CE2-CD1 4.23Å; F132-I220 HydrophobicContact CG-CD1 3.96Å; V212-I220 HydrophobicContact CB-CD1 4.27Å; V212-I220 HydrophobicContact CB-CG1 3.77Å; V212-I220 HydrophobicContact CG1-CG1 4.44Å; V212-I220 PolarHBondContact N-O 2.85Å; V212-I220 PolarHBondContact O-N 2.86Å; L214-I220 HydrophobicContact CD1-CD1 4.36Å; L214-I220 HydrophobicContact CD1-CG2 3.57Å; L214-I220 HydrophobicContact CD2-CD1 4.2Å; L214-I220 HydrophobicContact CG-CD1 4.47Å; L214-I220 HydrophobicContact CG-CG1 4.44Å; L214-I220 HydrophobicContact CG-CG2 4.15Å; I220-W234 HydrophobicContact CB-CE3 4.29Å; I220-W234 HydrophobicContact CB-CZ3 4.45Å; I220-W234 HydrophobicContact CD1-CE3 4.37Å; I220-W234 HydrophobicContact CD1-CZ3 3.89Å; I220-W234 HydrophobicContact CG1-CZ3 4.29Å; I220-I235 CarbonylContact C-O 3.47Å; I220-I235 VanDerWaalsContact CA-O 3.3Å; I220-I235 WeakPolarHBondContact CA-O 3.16Å; I220-I236 HydrophobicContact CG2-CG1 4.1Å; I220-I236 HydrophobicContact CG2-CG2 4.43Å |
| 221 | K | 97.7 | Very high | 95.2 | Very high | 65 Ų | 65 | 30 Ų | 30 | 28% | 0.283 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 138.9 | 169 | -66.8 | -170.9 | 169.4 | -153.8 | 0 | 110.3 | H209 W234 I235 | H209-K221 WeakPolarHBondContact O-CD 3.39Å; H209-K221 WeakPolarHBondContact O-CE 3.42Å; H209-K221 PolarHBondContact O-NZ 3.49Å; H209-K221 VanDerWaalsContact O-NZ 3.07Å; K221-W234 WeakPolarHBondContact O-CA 3.42Å; K221-I235 PolarHBondContact N-O 3.43Å; K221-I235 PolarHBondContact O-N 2.62Å |
| 222 | G | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y208 H209 N233 | Y208-G222 CarbonylContact C-O 3.57Å; Y208-G222 WeakPolarHBondContact CA-O 3.34Å; H209-G222 PolarHBondContact N-O 3.16Å; G222-N233 WeakPolarHBondContact CA-O 3.19Å |
| 223 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 158.2 | 169.8 | -53.7 | -175.5 | 0 | 0 | 0 | 109.7 | A225 C232 N233 I235 D260 T263 F264 | L223-A225 PolarHBondContact O-N 2.94Å; L223-C232 CarbonylContact O-C 3.49Å; L223-C232 WeakPolarHBondContact O-CA 3.31Å; L223-C232 VanDerWaalsContact O-CB 3.3Å; L223-C232 WeakPolarHBondContact O-CB 3.35Å; L223-N233 PolarHBondContact N-O 3.34Å; L223-N233 PolarHBondContact O-N 3.28Å; L223-I235 HydrophobicContact CD1-CD1 4.01Å; L223-I235 HydrophobicContact CD1-CG1 3.62Å; L223-I235 HydrophobicContact CG-CG1 3.9Å; L223-D260 HydrophobicContact CB-CB 4.41Å; L223-D260 WeakPolarHBondContact CB-OD2 3.45Å; L223-D260 WeakPolarHBondContact CD2-OD2 3.4Å; L223-T263 WeakPolarHBondContact CD1-OG1 3.45Å; L223-F264 HydrophobicContact CD1-CD2 3.86Å; L223-F264 HydrophobicContact CD1-CE2 3.62Å |
| 224 | S | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.6 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | G226 L257 P258 D260 | S224-G226 PolarHBondContact OG-N 3.32Å; S224-L257 PolarHBondContact OG-O 2.86Å; S224-P258 WeakPolarHBondContact CB-O 3.42Å; S224-P258 PolarHBondContact OG-O 3.24Å; S224-D260 PolarHBondContact O-N 2.72Å |
| 225 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -94.8 | -6.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L223 Y227 S231 H248 T249 S250 | L223-A225 PolarHBondContact O-N 2.94Å; A225-Y227 PolarHBondContact O-N 3.29Å; A225-S231 WeakPolarHBondContact CB-O 3.32Å; A225-S231 PolarHBondContact N-O 3.15Å; A225-H248 WeakPolarHBondContact CB-O 3.34Å; A225-T249 CarbonylContact O-C 3.58Å; A225-T249 WeakPolarHBondContact O-CA 3.37Å; A225-S250 PolarHBondContact O-N 3.45Å | ||
| 226 | G | 95.5 | Very high | 96 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 66.5 | 1.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S224 S250 V256 L257 | S224-G226 PolarHBondContact OG-N 3.32Å; G226-S250 WeakPolarHBondContact O-CB 3.48Å; G226-V256 VanDerWaalsContact C-CG2 3.42Å; G226-V256 WeakPolarHBondContact O-CG2 3.46Å; G226-L257 WeakPolarHBondContact CA-O 3.35Å |
| 227 | Y | 94 | Very high | 96.4 | Very high | 49 Ų | 49 | 14.2 Ų | 14.2 | 19% | 0.192 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -94.8 | -32.7 | -173.4 | 172.2 | -107.9 | 0 | 0 | 0 | 115 | R113 A225 H248 E685 R687 | R113-Y227 PolarHBondContact NH1-OH 3.47Å; A225-Y227 PolarHBondContact O-N 3.29Å; Y227-H248 WeakPolarHBondContact CB-O 3.33Å; Y227-H248 HydrophobicContact CD1-CB 3.42Å; Y227-H248 VanDerWaalsContact CD1-CB 3.42Å; Y227-H248 HydrophobicContact CD2-CB 4.41Å; Y227-H248 HydrophobicContact CE1-CB 3.61Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 3.84Å; Y227-H248 AromaticContact CZ-CD2 3.82Å; Y227-E685 HydrophobicContact CE2-CG 4.22Å; Y227-E685 PolarHBondContact OH-OE1 2.83Å; Y227-R687 HydrophobicContact CD2-CB 3.95Å; Y227-R687 HydrophobicContact CD2-CG 4.45Å; Y227-R687 HydrophobicContact CE2-CB 3.63Å; Y227-R687 HydrophobicContact CE2-CG 4.32Å |
| 228 | G | 94.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 12 Ų | 12 | 9% | 0.093 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -165.9 | 152.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G230 S231 | G228-G230 PolarHBondContact O-N 2.82Å; G228-G230 VanDerWaalsContact O-N 3.14Å; G228-S231 VanDerWaalsContact O-CB 3.29Å; G228-S231 WeakPolarHBondContact O-CB 3.4Å; G228-S231 PolarHBondContact O-N 2.67Å; G228-S231 PolarHBondContact O-OG 3.21Å |
| 229 | I | 96.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 4% | 0.036 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 120.8 | -177.8 | -51.6 | 176.1 | 0 | 0 | 0 | 109.6 | P136 F140 S231 V256 F315 W447 L448 | P136-I229 HydrophobicContact CB-CG2 3.87Å; P136-I229 HydrophobicContact CG-CG2 4.3Å; F140-I229 HydrophobicContact CD2-CB 4.37Å; F140-I229 HydrophobicContact CE2-CB 3.86Å; F140-I229 HydrophobicContact CE2-CD1 3.9Å; F140-I229 HydrophobicContact CE2-CG1 4.41Å; F140-I229 HydrophobicContact CE2-CG2 4.04Å; F140-I229 HydrophobicContact CZ-CD1 3.92Å; I229-S231 VanDerWaalsContact C-N 3.26Å; I229-S231 PolarHBondContact O-N 3.14Å; I229-V256 HydrophobicContact CG1-CG1 3.93Å; I229-F315 HydrophobicContact CD1-CD2 4.25Å; I229-F315 HydrophobicContact CD1-CE2 4.02Å; I229-W447 HydrophobicContact CG2-CB 3.72Å; I229-L448 HydrophobicContact CD1-CD2 3.91Å; I229-L448 HydrophobicContact CG1-CD2 4.02Å |
| 230 | G | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -4.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | T134 V137 Y208 G228 C232 | T134-G230 WeakPolarHBondContact CB-O 3.37Å; T134-G230 VanDerWaalsContact CG2-O 3.27Å; T134-G230 WeakPolarHBondContact CG2-O 3.43Å; T134-G230 PolarHBondContact OG1-O 2.89Å; V137-G230 WeakPolarHBondContact CG2-O 3.28Å; Y208-G230 WeakPolarHBondContact OH-CA 3.32Å; G228-G230 PolarHBondContact O-N 2.82Å; G228-G230 VanDerWaalsContact O-N 3.14Å; G230-C232 PolarHBondContact O-N 3.02Å |
| 231 | S | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -66.6 | 134.1 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 110 | S110 Y208 A225 G228 I229 | S110-S231 CarbonylContact O-C 3.56Å; S110-S231 WeakPolarHBondContact O-CA 3.36Å; Y208-S231 PolarHBondContact OH-O 2.95Å; A225-S231 WeakPolarHBondContact CB-O 3.32Å; A225-S231 PolarHBondContact N-O 3.15Å; G228-S231 VanDerWaalsContact O-CB 3.29Å; G228-S231 WeakPolarHBondContact O-CB 3.4Å; G228-S231 PolarHBondContact O-N 2.67Å; G228-S231 PolarHBondContact O-OG 3.21Å; I229-S231 VanDerWaalsContact C-N 3.26Å; I229-S231 PolarHBondContact O-N 3.14Å | ||
| 232 | C | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.3 | -167.6 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | S110 T134 Y208 L223 G230 W234 | S110-C232 VanDerWaalsContact CB-O 3.28Å; S110-C232 WeakPolarHBondContact CB-O 3.49Å; S110-C232 PolarHBondContact O-N 3.3Å; T134-C232 HydrophobicContact CG2-CB 4.16Å; Y208-C232 HydrophobicContact CD1-CB 4.41Å; Y208-C232 HydrophobicContact CE1-CB 3.84Å; L223-C232 CarbonylContact O-C 3.49Å; L223-C232 WeakPolarHBondContact O-CA 3.31Å; L223-C232 VanDerWaalsContact O-CB 3.3Å; L223-C232 WeakPolarHBondContact O-CB 3.35Å; G230-C232 PolarHBondContact O-N 3.02Å; C232-W234 VanDerWaalsContact SG-CE2 3.57Å |
| 233 | N | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.1 | 164.7 | -65.4 | -44.9 | 0 | 0 | 0 | 109.1 | G222 L223 Y245 I246 S247 T249 F259 F264 | G222-N233 WeakPolarHBondContact CA-O 3.19Å; L223-N233 PolarHBondContact N-O 3.34Å; L223-N233 PolarHBondContact O-N 3.28Å; N233-Y245 WeakPolarHBondContact CA-O 3.46Å; N233-Y245 WeakPolarHBondContact CB-O 3.35Å; N233-I246 WeakPolarHBondContact OD1-CA 3.21Å; N233-S247 PolarHBondContact OD1-N 2.99Å; N233-S247 VanDerWaalsContact OD1-N 3.1Å; N233-T249 PolarHBondContact ND2-OG1 3.49Å; N233-T249 PolarHBondContact OD1-OG1 3.24Å; N233-T249 VanDerWaalsContact OD1-OG1 3.07Å; N233-F259 WeakPolarHBondContact ND2-CE2 3.43Å; N233-F264 HydrophobicContact CB-CZ 4.21Å |
| 234 | W | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 119.8 | -171.5 | -70.6 | 100.3 | 0 | 0 | 0 | 111.6 | L108 V109 F132 V206 I220 K221 C232 Y245 | L108-W234 HydrophobicContact CB-CD2 4.21Å; L108-W234 HydrophobicContact CB-CG 4.24Å; L108-W234 HydrophobicContact CD1-CB 4.19Å; L108-W234 HydrophobicContact CD1-CD2 4.13Å; L108-W234 HydrophobicContact CD1-CE3 4.41Å; L108-W234 HydrophobicContact CD1-CG 4.05Å; L108-W234 HydrophobicContact CD2-CD2 4.43Å; L108-W234 HydrophobicContact CD2-CE3 4.39Å; L108-W234 HydrophobicContact CD2-CZ3 4.45Å; L108-W234 HydrophobicContact CG-CD2 4.5Å; V109-W234 PolarHBondContact O-NE1 2.94Å; F132-W234 HydrophobicContact CB-CH2 3.95Å; F132-W234 HydrophobicContact CB-CZ2 4.46Å; V206-W234 HydrophobicContact CB-CH2 4.46Å; V206-W234 HydrophobicContact CG2-CH2 4.49Å; I220-W234 HydrophobicContact CB-CE3 4.29Å; I220-W234 HydrophobicContact CB-CZ3 4.45Å; I220-W234 HydrophobicContact CD1-CE3 4.37Å; I220-W234 HydrophobicContact CD1-CZ3 3.89Å; I220-W234 HydrophobicContact CG1-CZ3 4.29Å; K221-W234 WeakPolarHBondContact O-CA 3.42Å; C232-W234 VanDerWaalsContact SG-CE2 3.57Å; W234-Y245 PolarHBondContact N-O 2.93Å; W234-Y245 PolarHBondContact O-N 3.34Å |
| 235 | I | 98.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 14 Ų | 14 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.8 | 167.9 | -54 | -58.5 | 0 | 0 | 0 | 108.2 | I220 K221 L223 T237 K242 A244 F264 | I220-I235 CarbonylContact C-O 3.47Å; I220-I235 VanDerWaalsContact CA-O 3.3Å; I220-I235 WeakPolarHBondContact CA-O 3.16Å; K221-I235 PolarHBondContact N-O 3.43Å; K221-I235 PolarHBondContact O-N 2.62Å; L223-I235 HydrophobicContact CD1-CD1 4.01Å; L223-I235 HydrophobicContact CD1-CG1 3.62Å; L223-I235 HydrophobicContact CG-CG1 3.9Å; I235-T237 HydrophobicContact CG2-CG2 4.2Å; I235-K242 HydrophobicContact CG2-CG 4.37Å; I235-A244 HydrophobicContact CD1-CB 3.56Å; I235-F264 HydrophobicContact CD1-CD1 4.4Å; I235-F264 HydrophobicContact CD1-CD2 4.37Å; I235-F264 HydrophobicContact CD1-CE1 4.23Å; I235-F264 HydrophobicContact CD1-CE2 4.25Å; I235-F264 HydrophobicContact CD1-CG 4.48Å; I235-F264 HydrophobicContact CD1-CZ 4.17Å |
| 236 | I | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 101.2 | -177.5 | -55.7 | 157.7 | 0 | 0 | 0 | 107.1 | L25 L32 L34 L108 L218 I220 V243 | L25-I236 HydrophobicContact CD2-CD1 3.82Å; L32-I236 HydrophobicContact CD1-CD1 3.81Å; L32-I236 HydrophobicContact CD1-CG1 4.4Å; L32-I236 HydrophobicContact CD1-CG2 4.09Å; L34-I236 HydrophobicContact CD2-CD1 4.26Å; L108-I236 HydrophobicContact CD1-CD1 4.1Å; L108-I236 HydrophobicContact CD1-CG1 4.23Å; L218-I236 HydrophobicContact CB-CG2 4.43Å; L218-I236 HydrophobicContact CD1-CG2 4.06Å; L218-I236 HydrophobicContact CD2-CG2 4.33Å; I220-I236 HydrophobicContact CG2-CG1 4.1Å; I220-I236 HydrophobicContact CG2-CG2 4.43Å; I236-V243 HydrophobicContact CB-CB 4.33Å; I236-V243 PolarHBondContact N-O 2.94Å; I236-V243 PolarHBondContact O-N 2.93Å |
| 237 | T | 94.3 | Very high | 94.3 | Very high | 46 Ų | 46 | 14 Ų | 14 | 28% | 0.282 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130.9 | 178.4 | 43.9 | 0 | 0 | 0 | 0 | 111.2 | L218 T219 I235 E241 K242 | L218-T237 CarbonylContact C-O 3.6Å; L218-T237 VanDerWaalsContact CA-O 3.32Å; L218-T237 WeakPolarHBondContact CA-O 3.48Å; T219-T237 PolarHBondContact N-O 3.42Å; T219-T237 PolarHBondContact O-N 3.23Å; T219-T237 PolarHBondContact O-OG1 3.26Å; I235-T237 HydrophobicContact CG2-CG2 4.2Å; T237-E241 CarbonylContact C-O 3.54Å; T237-E241 WeakPolarHBondContact CA-O 3.39Å; T237-K242 HydrophobicContact CG2-CB 4.19Å; T237-K242 HydrophobicContact CG2-CD 4.34Å; T237-K242 HydrophobicContact CG2-CG 3.91Å |
| 238 | S | 89 | Confident | 94.3 | Very high | 20 Ų | 20 | 11.7 Ų | 11.7 | 14% | 0.14 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -172.6 | 164.5 | 86.7 | 0 | 0 | 0 | 0 | 110 | R28 T240 E241 | R28-S238 VanDerWaalsContact CZ-CB 3.42Å; R28-S238 VanDerWaalsContact CZ-OG 3.28Å; R28-S238 PolarHBondContact NE-OG 3.09Å; R28-S238 PolarHBondContact NH2-OG 2.88Å; S238-T240 PolarHBondContact O-N 3.07Å; S238-T240 PolarHBondContact OG-N 3.3Å; S238-T240 VanDerWaalsContact OG-N 3.12Å; S238-E241 PolarHBondContact N-O 2.82Å; S238-E241 WeakPolarHBondContact OG-CB 3.46Å; S238-E241 PolarHBondContact OG-N 2.83Å; S238-E241 PolarHBondContact OG-O 3.07Å; S238-E241 PolarHBondContact OG-OE2 3.14Å |
| 239 | S | 81.4 | Confident | 94.4 | Very high | 82 Ų | 82 | 11.3 Ų | 11.3 | 57% | 0.573 | 7% | 0.069 | S | C | * | . | S | Bend | trans | -70.8 | -6.4 | 173.2 | 72.4 | 0 | 0 | 0 | 0 | 115.3 | R28 | R28-S239 PolarHBondContact NH1-OG 2.96Å; R28-S239 PolarHBondContact NH2-OG 2.99Å |
| 240 | T | 81.2 | Confident | 94.3 | Very high | 31 Ų | 31 | 11 Ų | 11 | 19% | 0.19 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -146.5 | -13.1 | 178.7 | 38 | 0 | 0 | 0 | 0 | 114.4 | R28 S238 R751 | R28-T240 PolarHBondContact NH2-OG1 2.92Å; S238-T240 PolarHBondContact O-N 3.07Å; S238-T240 PolarHBondContact OG-N 3.3Å; S238-T240 VanDerWaalsContact OG-N 3.12Å; T240-R751 HydrophobicContact CG2-CB 4.23Å; T240-R751 WeakPolarHBondContact O-CD 3.28Å |
| 241 | E | 88.2 | Confident | 94 | Very high | 11 Ų | 11 | 13 Ų | 13 | 5% | 0.051 | 8% | 0.079 | C | C | . | . | trans | -123 | 146.5 | -177.6 | -58.3 | 82 | -135.1 | 0 | 0 | 112 | I27 R28 T237 S238 D268 L747 | I27-E241 HydrophobicContact CD1-CB 4.37Å; R28-E241 IonicContact CZ-OE2 2.69Å; R28-E241 IonicContact NE-OE2 3.48Å; R28-E241 PolarHBondContact NE-OE2 3.06Å; R28-E241 IonicContact NH2-OE1 2.71Å; R28-E241 IonicContact NH2-OE2 3.51Å; R28-E241 PolarHBondContact NH2-OE2 3.32Å; T237-E241 CarbonylContact C-O 3.54Å; T237-E241 WeakPolarHBondContact CA-O 3.39Å; S238-E241 PolarHBondContact N-O 2.82Å; S238-E241 WeakPolarHBondContact OG-CB 3.46Å; S238-E241 PolarHBondContact OG-N 2.83Å; S238-E241 PolarHBondContact OG-O 3.07Å; S238-E241 PolarHBondContact OG-OE2 3.14Å; E241-D268 WeakPolarHBondContact CA-OD2 3.14Å; E241-L747 HydrophobicContact CG-CB 4.24Å; E241-L747 HydrophobicContact CG-CD1 3.95Å; E241-L747 HydrophobicContact CG-CD2 4Å; E241-L747 HydrophobicContact CG-CG 4.26Å | ||
| 242 | K | 93 | Very high | 93.6 | Very high | 32 Ų | 32 | 16 Ų | 16 | 14% | 0.139 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 112.9 | 171.6 | -179.9 | 173.3 | 177.6 | 179 | 0 | 109.9 | I235 T237 T263 E265 D268 V269 | I235-K242 HydrophobicContact CG2-CG 4.37Å; T237-K242 HydrophobicContact CG2-CB 4.19Å; T237-K242 HydrophobicContact CG2-CD 4.34Å; T237-K242 HydrophobicContact CG2-CG 3.91Å; K242-T263 WeakPolarHBondContact CE-O 3.47Å; K242-T263 PolarHBondContact NZ-O 3.32Å; K242-E265 PolarHBondContact NZ-O 3.1Å; K242-D268 PolarHBondContact N-OD2 2.85Å; K242-D268 WeakPolarHBondContact O-CA 3.4Å; K242-D268 WeakPolarHBondContact O-CB 3.34Å; K242-D268 PolarHBondContact O-N 2.88Å; K242-V269 PolarHBondContact O-N 3.45Å |
| 243 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.3 | 176 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | L9 L25 I27 I236 V269 I271 | L9-V243 HydrophobicContact CD1-CG1 4.25Å; L9-V243 HydrophobicContact CD1-CG2 3.59Å; L25-V243 HydrophobicContact CD2-CG1 4.44Å; I27-V243 HydrophobicContact CD1-CG2 3.75Å; I236-V243 HydrophobicContact CB-CB 4.33Å; I236-V243 PolarHBondContact N-O 2.94Å; I236-V243 PolarHBondContact O-N 2.93Å; V243-V269 WeakPolarHBondContact CA-O 3.29Å; V243-V269 HydrophobicContact CG1-CB 4.34Å; V243-V269 HydrophobicContact CG2-CB 4.36Å; V243-I271 HydrophobicContact CG1-CD1 3.61Å; V243-I271 HydrophobicContact CG1-CG1 4.09Å |
| 244 | A | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I235 F264 T267 V269 L270 I271 | I235-A244 HydrophobicContact CD1-CB 3.56Å; A244-F264 HydrophobicContact CB-CD1 3.87Å; A244-F264 HydrophobicContact CB-CE1 3.66Å; A244-T267 HydrophobicContact CB-CG2 3.89Å; A244-V269 PolarHBondContact N-O 2.81Å; A244-L270 HydrophobicContact CB-CD1 3.81Å; A244-I271 PolarHBondContact O-N 2.82Å |
| 245 | Y | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.8 | 175.3 | 179 | -110.2 | 0 | 0 | 0 | 110.5 | Y23 L34 N233 W234 I271 | Y23-Y245 HydrophobicContact CD2-CE2 4.37Å; L34-Y245 HydrophobicContact CB-CD1 4.13Å; L34-Y245 HydrophobicContact CB-CD2 4.37Å; L34-Y245 HydrophobicContact CB-CE1 3.81Å; L34-Y245 HydrophobicContact CB-CE2 4.07Å; L34-Y245 HydrophobicContact CB-CG 4.4Å; L34-Y245 HydrophobicContact CD1-CD1 4.34Å; L34-Y245 HydrophobicContact CD1-CD2 3.6Å; L34-Y245 HydrophobicContact CD1-CE2 3.97Å; L34-Y245 HydrophobicContact CD1-CG 3.8Å; N233-Y245 WeakPolarHBondContact CA-O 3.46Å; N233-Y245 WeakPolarHBondContact CB-O 3.35Å; W234-Y245 PolarHBondContact N-O 2.93Å; W234-Y245 PolarHBondContact O-N 3.34Å; Y245-I271 HydrophobicContact CD2-CB 4.01Å; Y245-I271 HydrophobicContact CD2-CG2 3.82Å; Y245-I271 HydrophobicContact CE2-CG2 4.2Å |
| 246 | I | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.5 | 174 | -64.3 | -175.3 | 0 | 0 | 0 | 108.8 | N233 T249 F264 L270 I271 I272 G273 L696 | N233-I246 WeakPolarHBondContact OD1-CA 3.21Å; I246-T249 WeakPolarHBondContact CG2-OG1 3.45Å; I246-F264 HydrophobicContact CD1-CE1 3.72Å; I246-F264 HydrophobicContact CD1-CZ 4.03Å; I246-F264 HydrophobicContact CG1-CE1 3.79Å; I246-F264 HydrophobicContact CG1-CZ 3.92Å; I246-L270 HydrophobicContact CD1-CD1 3.84Å; I246-L270 HydrophobicContact CG1-CD1 4.07Å; I246-I271 PolarHBondContact N-O 3.13Å; I246-I272 HydrophobicContact CB-CG1 4.36Å; I246-G273 PolarHBondContact O-N 2.8Å; I246-L696 HydrophobicContact CD1-CD1 4.15Å; I246-L696 HydrophobicContact CD1-CD2 4.04Å; I246-L696 HydrophobicContact CD1-CG 4.23Å; I246-L696 HydrophobicContact CG2-CD2 4.31Å |
| 247 | S | 95.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.007 | 13% | 0.128 | C | C | . | . | trans | -106.2 | -130.1 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | D35 N111 N233 T249 T274 | D35-S247 VanDerWaalsContact OD2-CB 3.25Å; D35-S247 WeakPolarHBondContact OD2-CB 3.2Å; D35-S247 PolarHBondContact OD2-OG 2.92Å; N111-S247 PolarHBondContact ND2-OG 3.46Å; N233-S247 PolarHBondContact OD1-N 2.99Å; N233-S247 VanDerWaalsContact OD1-N 3.1Å; S247-T249 PolarHBondContact O-N 2.79Å; S247-T274 VanDerWaalsContact C-CG2 3.41Å | ||
| 248 | H | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -69.5 | 97.2 | 177.2 | -61.7 | 61 | 0 | 0 | 0 | 109.3 | N111 A225 Y227 R687 | N111-H248 HydrophobicContact CB-CB 4.26Å; N111-H248 PolarHBondContact ND2-CE1 2.73Å; N111-H248 PolarHBondContact ND2-ND1 2.9Å; N111-H248 VanDerWaalsContact ND2-ND1 3.12Å; A225-H248 WeakPolarHBondContact CB-O 3.34Å; Y227-H248 WeakPolarHBondContact CB-O 3.33Å; Y227-H248 HydrophobicContact CD1-CB 3.42Å; Y227-H248 VanDerWaalsContact CD1-CB 3.42Å; Y227-H248 HydrophobicContact CD2-CB 4.41Å; Y227-H248 HydrophobicContact CE1-CB 3.61Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 3.84Å; Y227-H248 AromaticContact CZ-CD2 3.82Å; H248-R687 HydrophobicContact CB-CG 4.42Å; H248-R687 PolarHBondContact CD2-NH1 3.01Å; H248-R687 VanDerWaalsContact CD2-NH1 3.32Å; H248-R687 PolarHBondContact NE2-NH1 3.33Å |
| 249 | T | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -112.1 | 149.5 | 177.6 | -73.3 | 0 | 0 | 0 | 0 | 111.2 | A225 N233 I246 S247 F259 R687 I688 L696 | A225-T249 CarbonylContact O-C 3.58Å; A225-T249 WeakPolarHBondContact O-CA 3.37Å; N233-T249 PolarHBondContact ND2-OG1 3.49Å; N233-T249 PolarHBondContact OD1-OG1 3.24Å; N233-T249 VanDerWaalsContact OD1-OG1 3.07Å; I246-T249 WeakPolarHBondContact CG2-OG1 3.45Å; S247-T249 PolarHBondContact O-N 2.79Å; T249-F259 HydrophobicContact CG2-CB 4.42Å; T249-F259 HydrophobicContact CG2-CD2 3.79Å; T249-F259 HydrophobicContact CG2-CE2 4.28Å; T249-F259 HydrophobicContact CG2-CG 4.08Å; T249-R687 WeakPolarHBondContact O-CA 3.35Å; T249-I688 PolarHBondContact O-N 3.44Å; T249-L696 HydrophobicContact CG2-CD1 4.14Å | ||
| 250 | S | 93.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | trans | -126 | 148.5 | 163.2 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | A225 G226 L252 F259 A686 | A225-S250 PolarHBondContact O-N 3.45Å; G226-S250 WeakPolarHBondContact O-CB 3.48Å; S250-L252 WeakPolarHBondContact OG-CB 3.4Å; S250-L252 PolarHBondContact OG-N 3.05Å; S250-L252 VanDerWaalsContact OG-N 3.13Å; S250-F259 WeakPolarHBondContact O-CB 3.48Å; S250-A686 WeakPolarHBondContact CB-O 3.33Å; S250-A686 PolarHBondContact OG-O 3.37Å | ||
| 251 | L | 92.1 | Very high | 94 | Very high | 42 Ų | 42 | 20.2 Ų | 20.2 | 22% | 0.22 | 11% | 0.106 | C | C | . | . | trans | -100.3 | -0.2 | 167.4 | -60.5 | -178.8 | 0 | 0 | 0 | 112.1 | F259 I688 Q695 L696 | L251-F259 HydrophobicContact CD2-CB 4.22Å; L251-F259 HydrophobicContact CD2-CD1 3.43Å; L251-F259 VanDerWaalsContact CD2-CD1 3.43Å; L251-F259 HydrophobicContact CD2-CE1 4.09Å; L251-F259 HydrophobicContact CD2-CG 4.03Å; L251-I688 HydrophobicContact CD1-CD1 3.84Å; L251-I688 HydrophobicContact CG-CD1 4.02Å; L251-Q695 HydrophobicContact CD1-CB 3.97Å; L251-L696 HydrophobicContact CD1-CB 4.23Å; L251-L696 HydrophobicContact CD2-CD1 4.09Å | ||
| 252 | L | 87.8 | Confident | 94.3 | Very high | 62 Ų | 62 | 23 Ų | 23 | 33% | 0.325 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -82.7 | 138.5 | 179.6 | -56.5 | 178.2 | 0 | 0 | 0 | 110.4 | S250 L283 A686 | S250-L252 WeakPolarHBondContact OG-CB 3.4Å; S250-L252 PolarHBondContact OG-N 3.05Å; S250-L252 VanDerWaalsContact OG-N 3.13Å; L252-L283 HydrophobicContact CD1-CB 4.47Å; L252-L283 HydrophobicContact CD1-CD2 3.45Å; L252-L283 VanDerWaalsContact CD1-CD2 3.45Å; L252-A686 HydrophobicContact CD1-CB 4.39Å |
| 253 | Y | 86.4 | Confident | 94.4 | Very high | 51 Ų | 51 | 23.5 Ų | 23.5 | 20% | 0.2 | 13% | 0.133 | C | C | . | . | trans | -74.3 | 129.5 | 171 | -163.1 | -75.5 | 0 | 0 | 0 | 109.2 | P258 L390 N449 | Y253-P258 HydrophobicContact CD2-CG 4.21Å; Y253-P258 HydrophobicContact CE2-CG 4.19Å; Y253-L390 HydrophobicContact CD1-CB 3.97Å; Y253-L390 HydrophobicContact CD1-CD1 4.46Å; Y253-N449 HydrophobicContact CE1-CB 4.04Å; Y253-N449 VanDerWaalsContact CE1-ND2 3.32Å; Y253-N449 WeakPolarHBondContact CE1-ND2 3.28Å | ||
| 254 | S | 89.8 | Confident | 94.2 | Very high | 29 Ų | 29 | 23.6 Ų | 23.6 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | trans | -149 | -168.5 | 179.2 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | V256 N449 | S254-V256 PolarHBondContact O-N 2.77Å; S254-V256 VanDerWaalsContact O-N 3.15Å; S254-N449 PolarHBondContact O-ND2 3.24Å | ||
| 255 | H | 93.2 | Very high | 93.8 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -59.1 | -22.5 | 178.2 | 67.8 | -88.9 | 0 | 0 | 0 | 115.5 | F315 D316 L448 N449 F463 | H255-F315 AromaticContact NE2-CD2 3.71Å; H255-D316 IonicContact CE1-OD1 3.25Å; H255-D316 IonicContact CE1-OD2 2.72Å; H255-D316 PolarHBondContact CE1-OD2 2.81Å; H255-D316 IonicContact CG-OD1 2.83Å; H255-D316 PolarHBondContact N-OD1 2.84Å; H255-D316 VanDerWaalsContact N-OD1 3.16Å; H255-D316 IonicContact ND1-OD1 3.89Å; H255-D316 PolarHBondContact ND1-OD1 3.16Å; H255-D316 IonicContact ND1-OD2 3.07Å; H255-D316 PolarHBondContact ND1-OD2 2.83Å; H255-L448 CarbonylContact O-C 3.53Å; H255-L448 VanDerWaalsContact O-CA 3.28Å; H255-L448 WeakPolarHBondContact O-CA 3.4Å; H255-L448 VanDerWaalsContact O-CB 3.27Å; H255-L448 WeakPolarHBondContact O-CB 3.43Å; H255-L448 WeakPolarHBondContact O-CD2 3.36Å; H255-N449 PolarHBondContact O-N 2.97Å; H255-F463 HydrophobicContact CB-CE1 3.88Å; H255-F463 HydrophobicContact CB-CZ 3.59Å; H255-F463 AromaticContact CD2-CZ 3.65Å; H255-F463 AromaticContact CG-CZ 3.7Å |
| 256 | V | 95.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 159.7 | -174.2 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | G226 I229 S254 N449 | G226-V256 VanDerWaalsContact C-CG2 3.42Å; G226-V256 WeakPolarHBondContact O-CG2 3.46Å; I229-V256 HydrophobicContact CG1-CG1 3.93Å; S254-V256 PolarHBondContact O-N 2.77Å; S254-V256 VanDerWaalsContact O-N 3.15Å; V256-N449 WeakPolarHBondContact O-CB 3.47Å; V256-N449 PolarHBondContact O-N 3.19Å |
| 257 | L | 96.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 37 Ų | 37 | 28% | 0.277 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 126.1 | 171.9 | -172.1 | 67.5 | 0 | 0 | 0 | 110 | Y208 S224 G226 W447 L448 | Y208-L257 HydrophobicContact CD2-CD2 3.83Å; Y208-L257 HydrophobicContact CE2-CD2 3.67Å; S224-L257 PolarHBondContact OG-O 2.86Å; G226-L257 WeakPolarHBondContact CA-O 3.35Å; L257-W447 PolarHBondContact N-O 3.41Å; L257-W447 VanDerWaalsContact N-O 3.07Å; L257-L448 WeakPolarHBondContact CA-O 3.07Å; L257-L448 WeakPolarHBondContact CD1-O 3.09Å; L257-L448 VanDerWaalsContact N-C 3.29Å |
| 258 | P | 96.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 37 Ų | 37 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -57.2 | 165.6 | -175.6 | -28.7 | 36.6 | 0 | 0 | 0 | 114.8 | S224 Y253 D260 | S224-P258 WeakPolarHBondContact CB-O 3.42Å; S224-P258 PolarHBondContact OG-O 3.24Å; Y253-P258 HydrophobicContact CD2-CG 4.21Å; Y253-P258 HydrophobicContact CE2-CG 4.19Å; P258-D260 PolarHBondContact O-N 3.45Å |
| 259 | F | 96.6 | Very high | 93 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 126.1 | 172.7 | 167.3 | -111 | 0 | 0 | 0 | 111.3 | N233 T249 S250 L251 D261 F264 L696 R699 | N233-F259 WeakPolarHBondContact ND2-CE2 3.43Å; T249-F259 HydrophobicContact CG2-CB 4.42Å; T249-F259 HydrophobicContact CG2-CD2 3.79Å; T249-F259 HydrophobicContact CG2-CE2 4.28Å; T249-F259 HydrophobicContact CG2-CG 4.08Å; S250-F259 WeakPolarHBondContact O-CB 3.48Å; L251-F259 HydrophobicContact CD2-CB 4.22Å; L251-F259 HydrophobicContact CD2-CD1 3.43Å; L251-F259 VanDerWaalsContact CD2-CD1 3.43Å; L251-F259 HydrophobicContact CD2-CE1 4.09Å; L251-F259 HydrophobicContact CD2-CG 4.03Å; F259-D261 HydrophobicContact CE1-CB 3.9Å; F259-D261 HydrophobicContact CZ-CB 4.17Å; F259-F264 AromaticContact CE2-CE2 3.89Å; F259-F264 HydrophobicContact CE2-CE2 3.89Å; F259-F264 HydrophobicContact CE2-CZ 4.07Å; F259-F264 HydrophobicContact CZ-CD2 4.47Å; F259-F264 AromaticContact CZ-CE2 3.97Å; F259-F264 HydrophobicContact CZ-CE2 3.97Å; F259-F264 HydrophobicContact CZ-CZ 4.22Å; F259-L696 HydrophobicContact CD1-CD1 4.39Å; F259-L696 HydrophobicContact CE1-CD1 3.79Å; F259-L696 HydrophobicContact CE2-CD1 4.35Å; F259-L696 HydrophobicContact CZ-CD1 3.77Å; F259-R699 HydrophobicContact CE1-CB 4.11Å; F259-R699 PolarHBondContact O-NH1 3.25Å; F259-R699 PolarHBondContact O-NH2 3.22Å |
| 260 | D | 96 | Very high | 93.1 | Very high | 28 Ų | 28 | 37 Ų | 37 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | trans | -102 | 115.3 | -179 | 167.3 | 39 | 0 | 0 | 0 | 110.9 | H209 L223 S224 P258 S262 F264 | H209-D260 IonicContact CE1-OD2 3.74Å; H209-D260 PolarHBondContact CE1-OD2 3.06Å; H209-D260 IonicContact ND1-OD2 2.98Å; H209-D260 IonicContact NE2-OD2 3.13Å; L223-D260 HydrophobicContact CB-CB 4.41Å; L223-D260 WeakPolarHBondContact CB-OD2 3.45Å; L223-D260 WeakPolarHBondContact CD2-OD2 3.4Å; S224-D260 PolarHBondContact O-N 2.72Å; P258-D260 PolarHBondContact O-N 3.45Å; D260-S262 WeakPolarHBondContact OD1-CB 3.47Å; D260-S262 PolarHBondContact OD1-N 3.14Å; D260-S262 PolarHBondContact OD1-OG 3.25Å; D260-S262 PolarHBondContact OD2-OG 3.5Å; D260-F264 WeakPolarHBondContact O-CE2 3.35Å | ||
| 261 | D | 94.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | trans | -99.6 | -1.3 | 175.5 | 50 | -10.2 | 0 | 0 | 0 | 113.7 | F259 T263 F264 R699 | F259-D261 HydrophobicContact CE1-CB 3.9Å; F259-D261 HydrophobicContact CZ-CB 4.17Å; D261-T263 PolarHBondContact O-N 2.81Å; D261-F264 HydrophobicContact CB-CD2 4.42Å; D261-F264 PolarHBondContact O-N 2.81Å; D261-R699 HydrophobicContact CB-CB 4.29Å; D261-R699 IonicContact OD1-CZ 2.71Å; D261-R699 IonicContact OD1-NE 3.01Å; D261-R699 IonicContact OD1-NH2 3.68Å; D261-R699 PolarHBondContact OD1-NH2 2.9Å; D261-R699 VanDerWaalsContact OD2-CB 3.31Å; D261-R699 WeakPolarHBondContact OD2-CB 3.26Å; D261-R699 IonicContact OD2-CZ 2.92Å; D261-R699 IonicContact OD2-NE 3.02Å; D261-R699 PolarHBondContact OD2-NE 3.09Å; D261-R699 IonicContact OD2-NH2 3.69Å; D261-R699 PolarHBondContact OD2-NH2 2.96Å | ||
| 262 | S | 94.9 | Very high | 93.5 | Very high | 71 Ų | 71 | 35 Ų | 35 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.6 | -167.6 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | D260 | D260-S262 WeakPolarHBondContact OD1-CB 3.47Å; D260-S262 PolarHBondContact OD1-N 3.14Å; D260-S262 PolarHBondContact OD1-OG 3.25Å; D260-S262 PolarHBondContact OD2-OG 3.5Å |
| 263 | T | 93.5 | Very high | 93.8 | Very high | 42 Ų | 42 | 32 Ų | 32 | 26% | 0.258 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 27.4 | 174.3 | 81.3 | 0 | 0 | 0 | 0 | 114.1 | L223 K242 D261 | L223-T263 WeakPolarHBondContact CD1-OG1 3.45Å; K242-T263 WeakPolarHBondContact CE-O 3.47Å; K242-T263 PolarHBondContact NZ-O 3.32Å; D261-T263 PolarHBondContact O-N 2.81Å |
| 264 | F | 93.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | trans | -86 | -20.1 | 171.2 | -82 | -100 | 0 | 0 | 0 | 114.2 | L223 N233 I235 A244 I246 F259 D260 D261 T267 L270 C700 | L223-F264 HydrophobicContact CD1-CD2 3.86Å; L223-F264 HydrophobicContact CD1-CE2 3.62Å; N233-F264 HydrophobicContact CB-CZ 4.21Å; I235-F264 HydrophobicContact CD1-CD1 4.4Å; I235-F264 HydrophobicContact CD1-CD2 4.37Å; I235-F264 HydrophobicContact CD1-CE1 4.23Å; I235-F264 HydrophobicContact CD1-CE2 4.25Å; I235-F264 HydrophobicContact CD1-CG 4.48Å; I235-F264 HydrophobicContact CD1-CZ 4.17Å; A244-F264 HydrophobicContact CB-CD1 3.87Å; A244-F264 HydrophobicContact CB-CE1 3.66Å; I246-F264 HydrophobicContact CD1-CE1 3.72Å; I246-F264 HydrophobicContact CD1-CZ 4.03Å; I246-F264 HydrophobicContact CG1-CE1 3.79Å; I246-F264 HydrophobicContact CG1-CZ 3.92Å; F259-F264 AromaticContact CE2-CE2 3.89Å; F259-F264 HydrophobicContact CE2-CE2 3.89Å; F259-F264 HydrophobicContact CE2-CZ 4.07Å; F259-F264 HydrophobicContact CZ-CD2 4.47Å; F259-F264 AromaticContact CZ-CE2 3.97Å; F259-F264 HydrophobicContact CZ-CE2 3.97Å; F259-F264 HydrophobicContact CZ-CZ 4.22Å; D260-F264 WeakPolarHBondContact O-CE2 3.35Å; D261-F264 HydrophobicContact CB-CD2 4.42Å; D261-F264 PolarHBondContact O-N 2.81Å; F264-T267 VanDerWaalsContact O-CB 3.27Å; F264-T267 WeakPolarHBondContact O-CB 3.45Å; F264-T267 PolarHBondContact O-N 2.68Å; F264-T267 PolarHBondContact O-OG1 3.01Å; F264-L270 HydrophobicContact CD1-CD1 4.14Å; F264-L270 HydrophobicContact CE1-CD1 3.89Å; F264-C700 HydrophobicContact CB-CB 4.2Å; F264-C700 HydrophobicContact CD1-CB 3.85Å; F264-C700 HydrophobicContact CG-CB 4.24Å | ||
| 265 | E | 88.2 | Confident | 94.1 | Very high | 155 Ų | 155 | 28.2 Ų | 28.2 | 72% | 0.724 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 145.8 | 177.4 | -62.9 | -167.5 | 147 | 0 | 0 | 112.7 | K242 T267 | K242-E265 PolarHBondContact NZ-O 3.1Å; E265-T267 PolarHBondContact O-N 2.67Å; E265-T267 VanDerWaalsContact O-N 3.12Å |
| 266 | D | 87.2 | Confident | 93.7 | Very high | 120 Ų | 120 | 28 Ų | 28 | 64% | 0.642 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 23.7 | 175.2 | -109 | 23.1 | 0 | 0 | 0 | 114.8 | R751 | D266-R751 PolarHBondContact O-NH1 3.27Å; D266-R751 PolarHBondContact O-NH2 2.8Å; D266-R751 IonicContact OD2-NH2 2.94Å; D266-R751 PolarHBondContact OD2-NH2 3.2Å |
| 267 | T | 93.4 | Very high | 93 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | trans | -67.3 | 133.6 | 172.4 | -70.7 | 0 | 0 | 0 | 0 | 111.4 | A244 F264 E265 V269 L270 P703 R704 | A244-T267 HydrophobicContact CB-CG2 3.89Å; F264-T267 VanDerWaalsContact O-CB 3.27Å; F264-T267 WeakPolarHBondContact O-CB 3.45Å; F264-T267 PolarHBondContact O-N 2.68Å; F264-T267 PolarHBondContact O-OG1 3.01Å; E265-T267 PolarHBondContact O-N 2.67Å; E265-T267 VanDerWaalsContact O-N 3.12Å; T267-V269 WeakPolarHBondContact CG2-O 3.25Å; T267-L270 HydrophobicContact CG2-CB 4.31Å; T267-P703 CarbonylContact O-C 3.56Å; T267-P703 WeakPolarHBondContact O-CA 3.43Å; T267-R704 PolarHBondContact O-N 2.76Å | ||
| 268 | D | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -83.4 | -46.4 | 179.3 | -65.9 | -67.6 | 0 | 0 | 0 | 111.8 | E241 K242 R704 L705 A706 R751 | E241-D268 WeakPolarHBondContact CA-OD2 3.14Å; K242-D268 PolarHBondContact N-OD2 2.85Å; K242-D268 WeakPolarHBondContact O-CA 3.4Å; K242-D268 WeakPolarHBondContact O-CB 3.34Å; K242-D268 PolarHBondContact O-N 2.88Å; D268-R704 IonicContact OD1-CZ 3.93Å; D268-R704 IonicContact OD1-NE 2.75Å; D268-R704 PolarHBondContact OD1-NE 3.49Å; D268-R704 IonicContact OD1-NH2 3.43Å; D268-R704 PolarHBondContact OD1-NH2 2.75Å; D268-L705 HydrophobicContact CB-CD1 4.08Å; D268-L705 HydrophobicContact CB-CG 4.25Å; D268-L705 WeakPolarHBondContact O-CA 3.24Å; D268-L705 VanDerWaalsContact O-CB 3.28Å; D268-L705 WeakPolarHBondContact O-CB 3.26Å; D268-L705 PolarHBondContact O-N 3.27Å; D268-A706 PolarHBondContact O-N 3.26Å; D268-A706 VanDerWaalsContact O-N 3.16Å; D268-R751 IonicContact OD1-NH1 3.65Å; D268-R751 IonicContact OD2-NH1 3.74Å; D268-R751 PolarHBondContact OD2-NH1 2.84Å |
| 269 | V | 95.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 117.1 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | L9 K242 V243 A244 T267 I271 L705 A706 I708 I745 | L9-V269 HydrophobicContact CD1-CB 4.3Å; L9-V269 HydrophobicContact CD1-CG1 4.25Å; L9-V269 HydrophobicContact CD1-CG2 4.23Å; K242-V269 PolarHBondContact O-N 3.45Å; V243-V269 WeakPolarHBondContact CA-O 3.29Å; V243-V269 HydrophobicContact CG1-CB 4.34Å; V243-V269 HydrophobicContact CG2-CB 4.36Å; A244-V269 PolarHBondContact N-O 2.81Å; T267-V269 WeakPolarHBondContact CG2-O 3.25Å; V269-I271 HydrophobicContact CG1-CD1 4.43Å; V269-I271 HydrophobicContact CG1-CG1 3.94Å; V269-L705 HydrophobicContact CG2-CB 4.3Å; V269-A706 WeakPolarHBondContact CA-O 3.35Å; V269-A706 HydrophobicContact CG1-CB 4.2Å; V269-A706 HydrophobicContact CG2-CB 4.26Å; V269-I708 HydrophobicContact CG1-CD1 3.87Å; V269-I708 HydrophobicContact CG1-CG1 4.42Å; V269-I745 HydrophobicContact CG1-CD1 4.21Å |
| 270 | L | 97.1 | Very high | 89 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.8 | 173.1 | -179.7 | 57.5 | 0 | 0 | 0 | 109.1 | A244 I246 F264 T267 C700 P703 A706 L707 I708 | A244-L270 HydrophobicContact CB-CD1 3.81Å; I246-L270 HydrophobicContact CD1-CD1 3.84Å; I246-L270 HydrophobicContact CG1-CD1 4.07Å; F264-L270 HydrophobicContact CD1-CD1 4.14Å; F264-L270 HydrophobicContact CE1-CD1 3.89Å; T267-L270 HydrophobicContact CG2-CB 4.31Å; L270-C700 HydrophobicContact CD2-CB 3.8Å; L270-P703 HydrophobicContact CB-CB 3.98Å; L270-P703 HydrophobicContact CB-CG 4.04Å; L270-A706 PolarHBondContact N-O 3.34Å; L270-L707 HydrophobicContact CB-CD1 4.06Å; L270-L707 HydrophobicContact CD2-CD1 3.99Å; L270-L707 HydrophobicContact CG-CD1 3.9Å; L270-L707 WeakPolarHBondContact O-CA 3.44Å; L270-I708 PolarHBondContact O-N 3.08Å |
| 271 | I | 97.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.1 | -177.7 | -48.8 | -180 | 0 | 0 | 0 | 108 | L11 L25 V243 A244 Y245 I246 V269 I708 | L11-I271 HydrophobicContact CD1-CD1 4.32Å; L11-I271 HydrophobicContact CD2-CD1 4.26Å; L11-I271 HydrophobicContact CD2-CG2 3.79Å; L25-I271 HydrophobicContact CD2-CD1 4.43Å; V243-I271 HydrophobicContact CG1-CD1 3.61Å; V243-I271 HydrophobicContact CG1-CG1 4.09Å; A244-I271 PolarHBondContact O-N 2.82Å; Y245-I271 HydrophobicContact CD2-CB 4.01Å; Y245-I271 HydrophobicContact CD2-CG2 3.82Å; Y245-I271 HydrophobicContact CE2-CG2 4.2Å; I246-I271 PolarHBondContact N-O 3.13Å; V269-I271 HydrophobicContact CG1-CD1 4.43Å; V269-I271 HydrophobicContact CG1-CG1 3.94Å; I271-I708 HydrophobicContact CD1-CD1 4.44Å; I271-I708 HydrophobicContact CG1-CD1 4.05Å; I271-I708 HydrophobicContact CG2-CB 4.43Å |
| 272 | I | 96.7 | Very high | 86.6 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.3 | 170.3 | -57.8 | -177.1 | 0 | 0 | 0 | 107.1 | I246 V275 L696 I697 L707 I708 L709 P710 | I246-I272 HydrophobicContact CB-CG1 4.36Å; I272-V275 HydrophobicContact CG2-CG2 3.75Å; I272-L696 HydrophobicContact CD1-CD2 3.97Å; I272-I697 HydrophobicContact CD1-CG1 4.44Å; I272-L707 HydrophobicContact CD1-CD1 4.34Å; I272-L707 HydrophobicContact CG1-CD1 4.42Å; I272-I708 PolarHBondContact N-O 3.28Å; I272-L709 HydrophobicContact CB-CD2 3.92Å; I272-L709 HydrophobicContact CD1-CD2 3.77Å; I272-L709 HydrophobicContact CG1-CD2 4.08Å; I272-P710 WeakPolarHBondContact O-CD 3.46Å |
| 273 | G | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -84.4 | -22.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y23 I246 | Y23-G273 WeakPolarHBondContact CE2-O 3.29Å; Y23-G273 PolarHBondContact OH-O 3.02Å; I246-G273 PolarHBondContact O-N 2.8Å | ||
| 274 | T | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -154.2 | 150.6 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | V18 P21 S247 R687 | V18-T274 VanDerWaalsContact O-CB 3.26Å; V18-T274 WeakPolarHBondContact O-CB 3.42Å; V18-T274 PolarHBondContact O-OG1 3.14Å; P21-T274 HydrophobicContact CG-CG2 4Å; S247-T274 VanDerWaalsContact C-CG2 3.41Å; T274-R687 PolarHBondContact OG1-NH1 2.89Å | ||
| 275 | V | 89.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -144.2 | 141.7 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | I272 M277 A690 I693 V713 | I272-V275 HydrophobicContact CG2-CG2 3.75Å; V275-M277 PolarHBondContact O-N 2.9Å; V275-M277 VanDerWaalsContact O-N 3.1Å; V275-A690 HydrophobicContact CG1-CB 4.09Å; V275-I693 HydrophobicContact CG1-CD1 4.09Å; V275-I693 HydrophobicContact CG1-CG1 4.47Å; V275-I693 HydrophobicContact CG2-CD1 4.01Å; V275-I693 HydrophobicContact CG2-CG1 4.44Å; V275-V713 HydrophobicContact CB-CG2 3.79Å; V275-V713 HydrophobicContact CG1-CG2 4.4Å; V275-V713 HydrophobicContact CG2-CG1 4.16Å; V275-V713 HydrophobicContact CG2-CG2 3.88Å | ||
| 276 | N | 85.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 100.6 | 174.5 | -175.2 | 3.9 | 0 | 0 | 0 | 110.2 | Y278 A279 E685 R687 I688 | N276-Y278 PolarHBondContact O-N 3.07Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.36Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.12Å; N276-Y278 PolarHBondContact OD1-N 3.35Å; N276-A279 HydrophobicContact CB-CB 4.04Å; N276-A279 WeakPolarHBondContact ND2-CA 3.34Å; N276-A279 PolarHBondContact O-N 3.07Å; N276-A279 PolarHBondContact OD1-N 3.15Å; N276-E685 PolarHBondContact ND2-O 3.35Å; N276-R687 HydrophobicContact CB-CB 4.06Å; N276-R687 HydrophobicContact CB-CG 4.38Å; N276-R687 VanDerWaalsContact CB-O 3.23Å; N276-R687 WeakPolarHBondContact CB-O 3.32Å; N276-R687 PolarHBondContact ND2-O 3.41Å; N276-I688 WeakPolarHBondContact CB-O 3.42Å; N276-I688 PolarHBondContact N-O 3.18Å |
| 277 | M | 80.4 | Confident | 85.4 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.6 | 176.7 | -67.6 | -67.6 | -87.1 | 0 | 0 | 113.7 | V18 H19 V275 A690 E712 V713 K716 | V18-M277 HydrophobicContact CG1-CG 3.98Å; H19-M277 PolarHBondContact CE1-N 3.39Å; H19-M277 VanDerWaalsContact CE1-N 3.33Å; V275-M277 PolarHBondContact O-N 2.9Å; V275-M277 VanDerWaalsContact O-N 3.1Å; M277-A690 HydrophobicContact SD-CB 4.3Å; M277-E712 HydrophobicContact CE-CB 3.98Å; M277-E712 WeakPolarHBondContact CE-O 3.07Å; M277-V713 HydrophobicContact SD-CG2 4.01Å; M277-K716 HydrophobicContact CE-CD 4.14Å; M277-K716 HydrophobicContact SD-CD 4.29Å; M277-K716 PolarHBondContact SD-NZ 3.03Å |
| 278 | Y | 72.3 | Confident | 85.3 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 14% | 0.137 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 7.5 | 178.5 | -43.7 | -59.2 | 0 | 0 | 0 | 113.7 | H19 N276 S280 V626 W631 | H19-Y278 AromaticContact CD2-CE2 3.83Å; H19-Y278 AromaticContact CE1-CD2 3.29Å; H19-Y278 WeakPolarHBondContact CE1-CD2 3.28Å; H19-Y278 AromaticContact CE1-CE2 3.32Å; H19-Y278 WeakPolarHBondContact CE1-CE2 3.49Å; H19-Y278 AromaticContact NE2-CD2 3.64Å; H19-Y278 AromaticContact NE2-CE2 3.21Å; H19-Y278 WeakPolarHBondContact NE2-CE2 3.25Å; H19-Y278 AromaticContact NE2-CZ 3.74Å; N276-Y278 PolarHBondContact O-N 3.07Å; N276-Y278 WeakPolarHBondContact OD1-CA 3.36Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.12Å; N276-Y278 PolarHBondContact OD1-N 3.35Å; Y278-S280 PolarHBondContact O-N 2.96Å; Y278-V626 HydrophobicContact CE1-CG1 4.22Å; Y278-V626 HydrophobicContact CE2-CB 4.48Å; Y278-V626 HydrophobicContact CE2-CG1 4.47Å; Y278-V626 WeakPolarHBondContact OH-CG1 3.22Å; Y278-W631 AromaticContact CD1-CH2 3.98Å; Y278-W631 HydrophobicContact CD1-CH2 3.98Å; Y278-W631 AromaticContact CD1-CZ2 3.95Å; Y278-W631 HydrophobicContact CD1-CZ2 3.95Å; Y278-W631 HydrophobicContact CD1-CZ3 4.37Å; Y278-W631 AromaticContact CE1-CD2 3.73Å; Y278-W631 HydrophobicContact CE1-CD2 3.73Å; Y278-W631 AromaticContact CE1-CE2 3.73Å; Y278-W631 AromaticContact CE1-CE3 3.78Å; Y278-W631 HydrophobicContact CE1-CE3 3.78Å; Y278-W631 HydrophobicContact CE1-CG 4.39Å; Y278-W631 AromaticContact CE1-CH2 3.83Å; Y278-W631 HydrophobicContact CE1-CH2 3.83Å; Y278-W631 AromaticContact CE1-CZ2 3.78Å; Y278-W631 HydrophobicContact CE1-CZ2 3.78Å; Y278-W631 AromaticContact CE1-CZ3 3.83Å; Y278-W631 HydrophobicContact CE1-CZ3 3.83Å |
| 279 | A | 69.7 | Low | 85.3 | Confident | 25 Ų | 25 | 39.1 Ų | 39.1 | 21% | 0.207 | 20% | 0.197 | C | C | . | . | trans | -59.4 | 130.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N276 | N276-A279 HydrophobicContact CB-CB 4.04Å; N276-A279 WeakPolarHBondContact ND2-CA 3.34Å; N276-A279 PolarHBondContact O-N 3.07Å; N276-A279 PolarHBondContact OD1-N 3.15Å | ||
| 280 | S | 65 | Low | 85.2 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | trans | -78.2 | 129.7 | 163.6 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | Y278 E282 | Y278-S280 PolarHBondContact O-N 2.96Å; S280-E282 PolarHBondContact O-N 2.64Å; S280-E282 VanDerWaalsContact O-N 3.15Å; S280-E282 PolarHBondContact OG-N 3.21Å; S280-E282 VanDerWaalsContact OG-N 3.12Å | ||
| 281 | D | 64.8 | Low | 85.2 | Confident | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8.5 | 169.1 | -42.5 | -60.5 | 0 | 0 | 0 | 111.6 | Q691 | D281-Q691 PolarHBondContact OD1-NE2 3.16Å; D281-Q691 PolarHBondContact OD2-NE2 3.22Å |
| 282 | E | 73.5 | Confident | 85 | Confident | 98 Ų | 98 | 43 Ų | 43 | 46% | 0.458 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 43.3 | -173.1 | -45.3 | -161.4 | 144.1 | 0 | 0 | 111.1 | S280 E284 K285 T286 | S280-E282 PolarHBondContact O-N 2.64Å; S280-E282 VanDerWaalsContact O-N 3.15Å; S280-E282 PolarHBondContact OG-N 3.21Å; S280-E282 VanDerWaalsContact OG-N 3.12Å; E282-E284 PolarHBondContact O-N 3.27Å; E282-K285 HydrophobicContact CB-CB 4.22Å; E282-K285 HydrophobicContact CB-CD 4.16Å; E282-K285 HydrophobicContact CB-CG 4.17Å; E282-K285 VanDerWaalsContact CD-CE 3.49Å; E282-K285 PolarHBondContact O-N 3.44Å; E282-K285 VanDerWaalsContact O-N 3.15Å; E282-K285 IonicContact OE1-NZ 2.83Å; E282-K285 PolarHBondContact OE1-NZ 3.12Å; E282-K285 WeakPolarHBondContact OE2-CD 3.46Å; E282-K285 WeakPolarHBondContact OE2-CE 3.44Å; E282-K285 IonicContact OE2-NZ 3.83Å; E282-K285 PolarHBondContact OE2-NZ 2.59Å; E282-T286 PolarHBondContact O-N 2.85Å; E282-T286 PolarHBondContact O-OG1 2.92Å |
| 283 | L | 82.4 | Confident | 84.9 | Confident | 28 Ų | 28 | 43 Ų | 43 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.5 | -38.4 | 178.9 | -175.7 | 65.8 | 0 | 0 | 0 | 111.9 | L252 K285 T286 V287 M684 A686 | L252-L283 HydrophobicContact CD1-CB 4.47Å; L252-L283 HydrophobicContact CD1-CD2 3.45Å; L252-L283 VanDerWaalsContact CD1-CD2 3.45Å; L283-K285 PolarHBondContact O-N 3Å; L283-T286 CarbonylContact O-C 3.59Å; L283-T286 WeakPolarHBondContact O-CA 3.5Å; L283-T286 VanDerWaalsContact O-CB 3.24Å; L283-T286 WeakPolarHBondContact O-CB 3.35Å; L283-T286 PolarHBondContact O-N 3.05Å; L283-V287 WeakPolarHBondContact O-CG2 3.1Å; L283-V287 PolarHBondContact O-N 3.3Å; L283-M684 HydrophobicContact CD1-CB 3.94Å; L283-M684 HydrophobicContact CD1-CG 3.9Å; L283-A686 HydrophobicContact CD2-CB 4.21Å |
| 284 | E | 84.3 | Confident | 85 | Confident | 145 Ų | 145 | 43 Ų | 43 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -55.6 | -50.7 | 175.3 | -63.4 | 178.8 | 165.4 | 0 | 0 | 111.3 | E282 T286 V287 E288 | E282-E284 PolarHBondContact O-N 3.27Å; E284-T286 VanDerWaalsContact C-N 3.25Å; E284-T286 PolarHBondContact O-N 3.4Å; E284-V287 CarbonylContact O-C 3.5Å; E284-V287 WeakPolarHBondContact O-CB 3.29Å; E284-V287 PolarHBondContact O-N 3.48Å; E284-V287 VanDerWaalsContact O-N 3.09Å; E284-E288 WeakPolarHBondContact O-CG 3.22Å; E284-E288 PolarHBondContact O-N 3.2Å |
| 285 | K | 87 | Confident | 85.2 | Confident | 107 Ų | 107 | 43.6 Ų | 43.6 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.2 | -29.5 | 175.8 | -52.8 | -169.1 | -151.8 | 164.3 | 0 | 112.9 | E282 L283 V287 E288 E289 | E282-K285 HydrophobicContact CB-CB 4.22Å; E282-K285 HydrophobicContact CB-CD 4.16Å; E282-K285 HydrophobicContact CB-CG 4.17Å; E282-K285 VanDerWaalsContact CD-CE 3.49Å; E282-K285 PolarHBondContact O-N 3.44Å; E282-K285 VanDerWaalsContact O-N 3.15Å; E282-K285 IonicContact OE1-NZ 2.83Å; E282-K285 PolarHBondContact OE1-NZ 3.12Å; E282-K285 WeakPolarHBondContact OE2-CD 3.46Å; E282-K285 WeakPolarHBondContact OE2-CE 3.44Å; E282-K285 IonicContact OE2-NZ 3.83Å; E282-K285 PolarHBondContact OE2-NZ 2.59Å; L283-K285 PolarHBondContact O-N 3Å; K285-V287 VanDerWaalsContact C-N 3.32Å; K285-E288 PolarHBondContact O-N 3.47Å; K285-E289 WeakPolarHBondContact O-CB 3.32Å; K285-E289 PolarHBondContact O-N 3.17Å |
| 286 | T | 88.4 | Confident | 85.4 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67 | -36.5 | 175 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | E282 L283 E284 F290 L682 M684 | E282-T286 PolarHBondContact O-N 2.85Å; E282-T286 PolarHBondContact O-OG1 2.92Å; L283-T286 CarbonylContact O-C 3.59Å; L283-T286 WeakPolarHBondContact O-CA 3.5Å; L283-T286 VanDerWaalsContact O-CB 3.24Å; L283-T286 WeakPolarHBondContact O-CB 3.35Å; L283-T286 PolarHBondContact O-N 3.05Å; E284-T286 VanDerWaalsContact C-N 3.25Å; E284-T286 PolarHBondContact O-N 3.4Å; T286-F290 WeakPolarHBondContact O-CB 3.39Å; T286-F290 PolarHBondContact O-N 3.1Å; T286-F290 VanDerWaalsContact O-N 3.09Å; T286-L682 HydrophobicContact CG2-CB 3.85Å; T286-L682 HydrophobicContact CG2-CD2 3.9Å; T286-L682 HydrophobicContact CG2-CG 4.43Å; T286-M684 HydrophobicContact CG2-CE 4.3Å; T286-M684 HydrophobicContact CG2-CG 3.75Å |
| 287 | V | 91.4 | Very high | 85.8 | Confident | 33 Ų | 33 | 43.7 Ų | 43.7 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.8 | -36.1 | 172.3 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | L283 E284 K285 F290 C291 L317 T320 M684 | L283-V287 WeakPolarHBondContact O-CG2 3.1Å; L283-V287 PolarHBondContact O-N 3.3Å; E284-V287 CarbonylContact O-C 3.5Å; E284-V287 WeakPolarHBondContact O-CB 3.29Å; E284-V287 PolarHBondContact O-N 3.48Å; E284-V287 VanDerWaalsContact O-N 3.09Å; K285-V287 VanDerWaalsContact C-N 3.32Å; V287-F290 WeakPolarHBondContact O-CB 3.43Å; V287-F290 PolarHBondContact O-N 3.24Å; V287-C291 PolarHBondContact O-N 2.88Å; V287-C291 PolarHBondContact O-SG 3.02Å; V287-L317 HydrophobicContact CG2-CD2 4.48Å; V287-T320 HydrophobicContact CG1-CG2 3.96Å; V287-M684 HydrophobicContact CG2-SD 4.12Å |
| 288 | E | 91.3 | Very high | 86.4 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 63% | 0.631 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.8 | -46.6 | 171.6 | -69.1 | -175.9 | 144.4 | 0 | 0 | 112 | E284 K285 F290 C291 H292 | E284-E288 WeakPolarHBondContact O-CG 3.22Å; E284-E288 PolarHBondContact O-N 3.2Å; K285-E288 PolarHBondContact O-N 3.47Å; E288-F290 VanDerWaalsContact C-N 3.34Å; E288-F290 PolarHBondContact O-N 3.39Å; E288-C291 WeakPolarHBondContact O-CB 3.22Å; E288-C291 PolarHBondContact O-N 3.42Å; E288-H292 WeakPolarHBondContact O-CB 3.43Å; E288-H292 PolarHBondContact O-N 3.39Å |
| 289 | E | 92.1 | Very high | 87.4 | Confident | 27 Ų | 27 | 41.3 Ų | 41.3 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.8 | -177.4 | 68.9 | -163.7 | 0 | 0 | 111.2 | K285 C291 H292 I293 S666 L682 | K285-E289 WeakPolarHBondContact O-CB 3.32Å; K285-E289 PolarHBondContact O-N 3.17Å; E289-C291 PolarHBondContact O-N 2.92Å; E289-H292 WeakPolarHBondContact O-CB 3.39Å; E289-H292 PolarHBondContact O-N 3.4Å; E289-I293 HydrophobicContact CG-CD1 3.98Å; E289-I293 HydrophobicContact CG-CG1 4.37Å; E289-I293 VanDerWaalsContact O-CG1 3.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 3.13Å; E289-S666 PolarHBondContact OE1-OG 3.21Å; E289-S666 WeakPolarHBondContact OE2-CB 3.2Å; E289-S666 PolarHBondContact OE2-OG 3.39Å; E289-L682 HydrophobicContact CB-CD1 4.34Å; E289-L682 HydrophobicContact CB-CD2 4.18Å; E289-L682 HydrophobicContact CG-CD1 4.12Å; E289-L682 HydrophobicContact CG-CD2 3.93Å |
| 290 | F | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 171.7 | 164.2 | -101.8 | 0 | 0 | 0 | 111.9 | T286 V287 E288 H292 I293 V294 V306 L317 A321 F577 I618 L682 M684 | T286-F290 WeakPolarHBondContact O-CB 3.39Å; T286-F290 PolarHBondContact O-N 3.1Å; T286-F290 VanDerWaalsContact O-N 3.09Å; V287-F290 WeakPolarHBondContact O-CB 3.43Å; V287-F290 PolarHBondContact O-N 3.24Å; E288-F290 VanDerWaalsContact C-N 3.34Å; E288-F290 PolarHBondContact O-N 3.39Å; F290-H292 VanDerWaalsContact C-N 3.28Å; F290-H292 PolarHBondContact O-N 3.34Å; F290-I293 PolarHBondContact O-N 3.04Å; F290-V294 HydrophobicContact CD2-CG2 4.11Å; F290-V294 HydrophobicContact CE1-CG2 4.38Å; F290-V294 HydrophobicContact CE2-CG2 3.83Å; F290-V294 HydrophobicContact CZ-CG2 3.97Å; F290-V294 WeakPolarHBondContact O-CB 3.5Å; F290-V294 WeakPolarHBondContact O-CG2 3.47Å; F290-V294 PolarHBondContact O-N 3.29Å; F290-V306 HydrophobicContact CE2-CG2 3.91Å; F290-L317 HydrophobicContact CD1-CD2 4.09Å; F290-L317 HydrophobicContact CE1-CB 4.31Å; F290-L317 HydrophobicContact CE1-CD2 3.92Å; F290-L317 HydrophobicContact CZ-CB 4.35Å; F290-L317 HydrophobicContact CZ-CD2 4.43Å; F290-A321 HydrophobicContact CE1-CB 4.08Å; F290-A321 HydrophobicContact CZ-CB 4.27Å; F290-F577 HydrophobicContact CZ-CE1 4.25Å; F290-F577 HydrophobicContact CZ-CZ 4.12Å; F290-I618 HydrophobicContact CD2-CD1 3.73Å; F290-I618 HydrophobicContact CD2-CG2 4.24Å; F290-I618 HydrophobicContact CE2-CD1 4.09Å; F290-L682 HydrophobicContact CB-CD1 3.89Å; F290-M684 HydrophobicContact CB-CE 3.5Å; F290-M684 VanDerWaalsContact CB-CE 3.5Å; F290-M684 HydrophobicContact CD2-CE 3.98Å; F290-M684 HydrophobicContact CG-CE 3.85Å |
| 291 | C | 95.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 14% | 0.142 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -40.6 | 176.3 | -67.4 | 0 | 0 | 0 | 0 | 111.5 | V287 E288 E289 V294 V295 A324 | V287-C291 PolarHBondContact O-N 2.88Å; V287-C291 PolarHBondContact O-SG 3.02Å; E288-C291 WeakPolarHBondContact O-CB 3.22Å; E288-C291 PolarHBondContact O-N 3.42Å; E289-C291 PolarHBondContact O-N 2.92Å; C291-V294 PolarHBondContact O-N 2.84Å; C291-V295 WeakPolarHBondContact O-CG2 3.44Å; C291-V295 PolarHBondContact O-N 2.85Å; C291-A324 HydrophobicContact CB-CB 3.8Å |
| 292 | H | 94 | Very high | 90.6 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 30% | 0.296 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -54 | 175.2 | -178.5 | 91.3 | 0 | 0 | 0 | 112 | E288 E289 F290 V294 V295 Q296 | E288-H292 WeakPolarHBondContact O-CB 3.43Å; E288-H292 PolarHBondContact O-N 3.39Å; E289-H292 WeakPolarHBondContact O-CB 3.39Å; E289-H292 PolarHBondContact O-N 3.4Å; F290-H292 VanDerWaalsContact C-N 3.28Å; F290-H292 PolarHBondContact O-N 3.34Å; H292-V294 VanDerWaalsContact C-N 3.29Å; H292-V294 PolarHBondContact O-N 3.07Å; H292-V295 PolarHBondContact O-N 3.14Å; H292-Q296 VanDerWaalsContact O-CB 3.26Å; H292-Q296 WeakPolarHBondContact O-CB 3.34Å; H292-Q296 VanDerWaalsContact O-CG 3.23Å; H292-Q296 WeakPolarHBondContact O-CG 3.31Å; H292-Q296 PolarHBondContact O-N 2.95Å |
| 293 | I | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 178.6 | -63.5 | 167.5 | 0 | 0 | 0 | 110.2 | E289 F290 T297 L335 I618 Y680 L682 | E289-I293 HydrophobicContact CG-CD1 3.98Å; E289-I293 HydrophobicContact CG-CG1 4.37Å; E289-I293 VanDerWaalsContact O-CG1 3.3Å; E289-I293 WeakPolarHBondContact O-CG1 3.31Å; E289-I293 PolarHBondContact O-N 3.13Å; F290-I293 PolarHBondContact O-N 3.04Å; I293-T297 VanDerWaalsContact O-CB 3.24Å; I293-T297 WeakPolarHBondContact O-CB 3.34Å; I293-T297 PolarHBondContact O-N 2.8Å; I293-T297 PolarHBondContact O-OG1 3.26Å; I293-L335 HydrophobicContact CG1-CD1 4.08Å; I293-L335 HydrophobicContact CG2-CD2 4.27Å; I293-I618 HydrophobicContact CB-CD1 3.99Å; I293-I618 HydrophobicContact CG2-CD1 3.64Å; I293-I618 HydrophobicContact CG2-CG1 4.01Å; I293-Y680 HydrophobicContact CD1-CD1 3.66Å; I293-Y680 HydrophobicContact CD1-CD2 4.31Å; I293-Y680 HydrophobicContact CD1-CE1 4.17Å; I293-Y680 HydrophobicContact CD1-CG 3.76Å; I293-Y680 HydrophobicContact CG1-CD1 4.48Å; I293-Y680 HydrophobicContact CG2-CD2 4.14Å; I293-Y680 HydrophobicContact CG2-CE2 4.12Å; I293-L682 HydrophobicContact CD1-CD1 3.83Å |
| 294 | V | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -58.9 | 177.9 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | F290 C291 H292 Q296 T297 L298 V304 K325 L575 I618 | F290-V294 HydrophobicContact CD2-CG2 4.11Å; F290-V294 HydrophobicContact CE1-CG2 4.38Å; F290-V294 HydrophobicContact CE2-CG2 3.83Å; F290-V294 HydrophobicContact CZ-CG2 3.97Å; F290-V294 WeakPolarHBondContact O-CB 3.5Å; F290-V294 WeakPolarHBondContact O-CG2 3.47Å; F290-V294 PolarHBondContact O-N 3.29Å; C291-V294 PolarHBondContact O-N 2.84Å; H292-V294 VanDerWaalsContact C-N 3.29Å; H292-V294 PolarHBondContact O-N 3.07Å; V294-Q296 PolarHBondContact O-N 2.98Å; V294-T297 PolarHBondContact O-N 2.82Å; V294-L298 HydrophobicContact CG1-CD1 4Å; V294-L298 VanDerWaalsContact O-CG 3.26Å; V294-L298 WeakPolarHBondContact O-CG 3.44Å; V294-L298 PolarHBondContact O-N 3.28Å; V294-V304 HydrophobicContact CG2-CG1 4.21Å; V294-K325 HydrophobicContact CG1-CG 4.42Å; V294-L575 HydrophobicContact CG1-CD2 4.15Å; V294-L575 HydrophobicContact CG2-CD1 4.36Å; V294-I618 HydrophobicContact CG2-CD1 4.04Å |
| 295 | V | 95.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | -174.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | C291 H292 A299 A324 F328 V422 | C291-V295 WeakPolarHBondContact O-CG2 3.44Å; C291-V295 PolarHBondContact O-N 2.85Å; H292-V295 PolarHBondContact O-N 3.14Å; V295-A299 VanDerWaalsContact O-CB 3.24Å; V295-A299 WeakPolarHBondContact O-CB 3.41Å; V295-A299 PolarHBondContact O-N 2.51Å; V295-A324 HydrophobicContact CG1-CB 3.94Å; V295-A324 WeakPolarHBondContact CG1-O 3.48Å; V295-F328 HydrophobicContact CB-CB 4.29Å; V295-F328 HydrophobicContact CB-CD2 3.72Å; V295-F328 HydrophobicContact CB-CE2 4.21Å; V295-F328 HydrophobicContact CB-CG 3.98Å; V295-F328 HydrophobicContact CG1-CB 4.26Å; V295-F328 HydrophobicContact CG1-CD2 4.43Å; V295-F328 HydrophobicContact CG1-CG 4.49Å; V295-F328 HydrophobicContact CG2-CD2 3.53Å; V295-F328 HydrophobicContact CG2-CE2 3.81Å; V295-F328 HydrophobicContact CG2-CG 4.31Å; V295-V422 HydrophobicContact CB-CG1 4.12Å; V295-V422 HydrophobicContact CG1-CG1 4.13Å |
| 296 | Q | 94.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 2% | 0.023 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.8 | -69.3 | -59.9 | -25.2 | 0 | 0 | 111.8 | H292 V294 L298 A299 H300 T331 L335 | H292-Q296 VanDerWaalsContact O-CB 3.26Å; H292-Q296 WeakPolarHBondContact O-CB 3.34Å; H292-Q296 VanDerWaalsContact O-CG 3.23Å; H292-Q296 WeakPolarHBondContact O-CG 3.31Å; H292-Q296 PolarHBondContact O-N 2.95Å; V294-Q296 PolarHBondContact O-N 2.98Å; Q296-L298 PolarHBondContact O-N 3.49Å; Q296-A299 PolarHBondContact O-N 3.44Å; Q296-H300 PolarHBondContact O-N 3.12Å; Q296-H300 PolarHBondContact O-ND1 2.8Å; Q296-T331 PolarHBondContact NE2-O 2.87Å; Q296-L335 HydrophobicContact CB-CB 4.3Å; Q296-L335 HydrophobicContact CB-CD2 3.97Å |
| 297 | T | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | I293 V294 A299 H300 G301 G302 N303 V304 L335 F336 S616 | I293-T297 VanDerWaalsContact O-CB 3.24Å; I293-T297 WeakPolarHBondContact O-CB 3.34Å; I293-T297 PolarHBondContact O-N 2.8Å; I293-T297 PolarHBondContact O-OG1 3.26Å; V294-T297 PolarHBondContact O-N 2.82Å; T297-A299 VanDerWaalsContact C-N 3.3Å; T297-A299 PolarHBondContact O-N 2.87Å; T297-H300 PolarHBondContact O-N 2.87Å; T297-G301 PolarHBondContact O-N 3.26Å; T297-G302 PolarHBondContact O-N 2.85Å; T297-N303 WeakPolarHBondContact CG2-O 3.36Å; T297-V304 HydrophobicContact CG2-CG2 3.66Å; T297-L335 WeakPolarHBondContact OG1-CD2 3.2Å; T297-F336 HydrophobicContact CG2-CZ 4.29Å; T297-S616 WeakPolarHBondContact OG1-CB 3.47Å; T297-S616 PolarHBondContact OG1-OG 3.29Å |
| 298 | L | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | 176.2 | -64 | 173.4 | 0 | 0 | 0 | 111.8 | V294 Q296 H300 G301 V304 K325 V422 P573 | V294-L298 HydrophobicContact CG1-CD1 4Å; V294-L298 VanDerWaalsContact O-CG 3.26Å; V294-L298 WeakPolarHBondContact O-CG 3.44Å; V294-L298 PolarHBondContact O-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.49Å; L298-H300 VanDerWaalsContact C-N 3.34Å; L298-H300 PolarHBondContact O-N 3.29Å; L298-G301 PolarHBondContact O-N 3.36Å; L298-V304 HydrophobicContact CD2-CG2 4.35Å; L298-V304 HydrophobicContact CG-CG2 4.27Å; L298-K325 HydrophobicContact CD1-CD 3.98Å; L298-K325 HydrophobicContact CD1-CG 3.97Å; L298-V422 HydrophobicContact CB-CB 4.5Å; L298-V422 HydrophobicContact CB-CG1 4.37Å; L298-V422 HydrophobicContact CB-CG2 3.9Å; L298-V422 HydrophobicContact CD1-CG1 4.35Å; L298-P573 HydrophobicContact CD2-CB 3.93Å |
| 299 | A | 92.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 12.4 Ų | 12.4 | 7% | 0.066 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -69 | -28.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V295 Q296 T297 G301 F328 I332 V422 | V295-A299 VanDerWaalsContact O-CB 3.24Å; V295-A299 WeakPolarHBondContact O-CB 3.41Å; V295-A299 PolarHBondContact O-N 2.51Å; Q296-A299 PolarHBondContact O-N 3.44Å; T297-A299 VanDerWaalsContact C-N 3.3Å; T297-A299 PolarHBondContact O-N 2.87Å; A299-G301 PolarHBondContact O-N 2.94Å; A299-F328 HydrophobicContact CB-CE1 3.68Å; A299-F328 HydrophobicContact CB-CZ 3.87Å; A299-I332 HydrophobicContact CB-CD1 4.38Å; A299-I332 HydrophobicContact CB-CG1 4.04Å; A299-V422 HydrophobicContact CB-CG2 3.74Å |
| 300 | H | 89.7 | Confident | 93.2 | Very high | 58 Ų | 58 | 11.2 Ų | 11.2 | 27% | 0.269 | 6% | 0.064 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.6 | 169.6 | -69.9 | 82.8 | 0 | 0 | 0 | 113 | Q296 T297 L298 G302 I332 L333 N339 | Q296-H300 PolarHBondContact O-N 3.12Å; Q296-H300 PolarHBondContact O-ND1 2.8Å; T297-H300 PolarHBondContact O-N 2.87Å; L298-H300 VanDerWaalsContact C-N 3.34Å; L298-H300 PolarHBondContact O-N 3.29Å; H300-G302 VanDerWaalsContact C-N 3.29Å; H300-G302 PolarHBondContact O-N 2.91Å; H300-I332 VanDerWaalsContact CE1-CG2 3.44Å; H300-I332 WeakPolarHBondContact CE1-CG2 3.03Å; H300-L333 PolarHBondContact CE1-O 2.77Å; H300-L333 VanDerWaalsContact CE1-O 3.29Å; H300-N339 PolarHBondContact CD2-ND2 3.35Å; H300-N339 PolarHBondContact NE2-ND2 2.69Å |
| 301 | G | 87.8 | Confident | 93 | Very high | 22 Ų | 22 | 12 Ų | 12 | 23% | 0.227 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T297 L298 A299 S613 | T297-G301 PolarHBondContact O-N 3.26Å; L298-G301 PolarHBondContact O-N 3.36Å; A299-G301 PolarHBondContact O-N 2.94Å; G301-S613 WeakPolarHBondContact O-CB 3.37Å; G301-S613 PolarHBondContact O-OG 3Å |
| 302 | G | 89.2 | Confident | 92.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -84.3 | 160.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T297 H300 P573 H614 | T297-G302 PolarHBondContact O-N 2.85Å; H300-G302 VanDerWaalsContact C-N 3.29Å; H300-G302 PolarHBondContact O-N 2.91Å; G302-P573 WeakPolarHBondContact O-CB 3.26Å; G302-H614 WeakPolarHBondContact CA-O 3.3Å | ||
| 303 | N | 92.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 11.4 Ų | 11.4 | 8% | 0.075 | 7% | 0.073 | C | C | . | . | trans | -92.9 | 155.4 | 172.8 | -54.6 | -77.7 | 0 | 0 | 0 | 110.8 | T297 C574 L595 N615 S616 | T297-N303 WeakPolarHBondContact CG2-O 3.36Å; N303-C574 WeakPolarHBondContact CA-O 3.42Å; N303-C574 PolarHBondContact OD1-N 2.81Å; N303-C574 PolarHBondContact OD1-SG 2.95Å; N303-L595 HydrophobicContact CB-CD2 3.88Å; N303-N615 WeakPolarHBondContact CB-OD1 3.31Å; N303-N615 PolarHBondContact N-OD1 2.98Å; N303-N615 PolarHBondContact ND2-OD1 3.01Å; N303-N615 VanDerWaalsContact O-CA 3.31Å; N303-N615 WeakPolarHBondContact O-CA 3.24Å; N303-N615 WeakPolarHBondContact O-CB 3.47Å; N303-S616 PolarHBondContact O-N 3.38Å | ||
| 304 | V | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126 | 175.7 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | V294 T297 L298 V306 C574 L575 I576 S616 I618 | V294-V304 HydrophobicContact CG2-CG1 4.21Å; T297-V304 HydrophobicContact CG2-CG2 3.66Å; L298-V304 HydrophobicContact CD2-CG2 4.35Å; L298-V304 HydrophobicContact CG-CG2 4.27Å; V304-V306 HydrophobicContact CG1-CG2 4.18Å; V304-C574 PolarHBondContact N-O 2.93Å; V304-L575 HydrophobicContact CB-CD1 3.7Å; V304-L575 HydrophobicContact CG1-CD1 3.63Å; V304-L575 CarbonylContact O-C 3.53Å; V304-L575 WeakPolarHBondContact O-CA 3.25Å; V304-I576 PolarHBondContact O-N 2.89Å; V304-S616 CarbonylContact C-O 3.26Å; V304-S616 VanDerWaalsContact CA-O 3.32Å; V304-S616 WeakPolarHBondContact CA-O 3.48Å; V304-I618 HydrophobicContact CG1-CD1 3.86Å; V304-I618 HydrophobicContact CG1-CG1 4.2Å |
| 305 | L | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.7 | 170 | 176.9 | 64.4 | 0 | 0 | 0 | 109.6 | P307 I576 A578 L591 T592 L595 S616 I617 I618 | L305-P307 HydrophobicContact CG-CG 4.31Å; L305-I576 CarbonylContact C-O 3.57Å; L305-I576 WeakPolarHBondContact CA-O 3.31Å; L305-I576 HydrophobicContact CD1-CB 4.21Å; L305-I576 HydrophobicContact CD1-CG2 4.15Å; L305-A578 HydrophobicContact CD1-CB 3.96Å; L305-L591 HydrophobicContact CD1-CB 3.94Å; L305-L591 HydrophobicContact CD1-CD1 3.79Å; L305-L591 HydrophobicContact CD1-CG 4.5Å; L305-L591 HydrophobicContact CD2-CB 3.73Å; L305-L591 HydrophobicContact CG-CB 4.48Å; L305-T592 WeakPolarHBondContact CD2-OG1 3.42Å; L305-L595 HydrophobicContact CB-CD1 3.62Å; L305-L595 HydrophobicContact CD2-CD1 4.19Å; L305-S616 PolarHBondContact N-O 3.43Å; L305-I617 HydrophobicContact CB-CG1 4.28Å; L305-I617 HydrophobicContact CB-CG2 4.44Å; L305-I617 HydrophobicContact CD2-CG1 4.47Å; L305-I617 HydrophobicContact CD2-CG2 4.24Å; L305-I617 HydrophobicContact CG-CG2 4.43Å; L305-I617 CarbonylContact O-C 3.44Å; L305-I617 WeakPolarHBondContact O-CA 3.45Å; L305-I618 PolarHBondContact O-N 3.3Å |
| 306 | V | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 99.3 | 173.8 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | F290 V304 S308 L575 I576 F577 A578 I620 | F290-V306 HydrophobicContact CE2-CG2 3.91Å; V304-V306 HydrophobicContact CG1-CG2 4.18Å; V306-S308 PolarHBondContact O-N 3.41Å; V306-L575 HydrophobicContact CG2-CD1 3.82Å; V306-I576 PolarHBondContact N-O 2.86Å; V306-F577 HydrophobicContact CB-CD1 3.54Å; V306-F577 HydrophobicContact CB-CE1 3.81Å; V306-F577 HydrophobicContact CB-CG 4.36Å; V306-F577 HydrophobicContact CG1-CD1 3.7Å; V306-F577 HydrophobicContact CG1-CE1 3.77Å; V306-F577 HydrophobicContact CG2-CD1 4.13Å; V306-F577 HydrophobicContact CG2-CE1 3.94Å; V306-F577 WeakPolarHBondContact O-CA 3.4Å; V306-A578 PolarHBondContact O-N 3.1Å; V306-A578 VanDerWaalsContact O-N 3.08Å; V306-I620 HydrophobicContact CG1-CD1 3.91Å; V306-I620 HydrophobicContact CG1-CG1 4.01Å; V306-I620 HydrophobicContact CG1-CG2 3.78Å |
| 307 | P | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.6 | 169 | -18 | 34.2 | 0 | 0 | 0 | 109 | L305 A578 H580 L583 I617 I618 L619 I620 | L305-P307 HydrophobicContact CG-CG 4.31Å; P307-A578 WeakPolarHBondContact CA-O 3.48Å; P307-H580 VanDerWaalsContact C-CD2 3.46Å; P307-H580 VanDerWaalsContact C-NE2 3.27Å; P307-H580 WeakPolarHBondContact CB-CD2 3.41Å; P307-L583 HydrophobicContact CB-CD2 3.68Å; P307-L583 HydrophobicContact CB-CG 4.48Å; P307-L583 HydrophobicContact CG-CD2 3.85Å; P307-I617 HydrophobicContact CG-CG2 4.27Å; P307-I618 VanDerWaalsContact CD-O 3.25Å; P307-I618 WeakPolarHBondContact CD-O 3.41Å; P307-L619 HydrophobicContact CG-CD2 3.95Å; P307-I620 WeakPolarHBondContact O-CG1 3.31Å |
| 308 | S | 91.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | trans | -155.2 | 141.5 | -172.2 | 60.9 | 0 | 0 | 0 | 0 | 112.6 | V306 A578 S579 H580 | V306-S308 PolarHBondContact O-N 3.41Å; S308-A578 PolarHBondContact N-O 3.21Å; S308-S579 WeakPolarHBondContact O-CA 3.29Å; S308-H580 PolarHBondContact N-CD2 3.46Å; S308-H580 PolarHBondContact N-NE2 2.79Å | ||
| 309 | N | 89.1 | Confident | 92.1 | Very high | 27 Ų | 27 | 14.8 Ų | 14.8 | 14% | 0.144 | 9% | 0.089 | C | C | . | . | trans | -55.5 | 148.4 | 166.1 | -82.7 | -81.5 | 0 | 0 | 0 | 112.1 | L144 S311 E621 D624 | L144-N309 HydrophobicContact CD2-CB 4.26Å; N309-S311 PolarHBondContact O-N 3.05Å; N309-S311 VanDerWaalsContact O-N 3.1Å; N309-E621 WeakPolarHBondContact CB-OE1 3.31Å; N309-E621 PolarHBondContact N-OE1 2.9Å; N309-E621 PolarHBondContact ND2-OE1 3.46Å; N309-E621 PolarHBondContact ND2-OE2 3.32Å; N309-D624 PolarHBondContact ND2-OD2 2.98Å | ||
| 310 | P | 91.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.013 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -73.4 | 0.2 | -172.4 | 29.6 | -36.9 | 0 | 0 | 0 | 115.5 | I143 L144 D147 S431 S437 | I143-P310 HydrophobicContact CG2-CB 4.31Å; I143-P310 HydrophobicContact CG2-CG 3.87Å; L144-P310 HydrophobicContact CD2-CG 4.03Å; D147-P310 HydrophobicContact CB-CG 4.25Å; P310-S431 WeakPolarHBondContact CB-OG 3.36Å; P310-S437 VanDerWaalsContact O-CB 3.29Å; P310-S437 WeakPolarHBondContact O-CB 3.5Å; P310-S437 PolarHBondContact O-OG 3.45Å |
| 311 | S | 90.9 | Very high | 92.5 | Very high | 17 Ų | 17 | 13.8 Ų | 13.8 | 12% | 0.119 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -153.2 | 147.9 | -179.2 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | N309 | N309-S311 PolarHBondContact O-N 3.05Å; N309-S311 VanDerWaalsContact O-N 3.1Å |
| 312 | G | 89.6 | Confident | 92.7 | Very high | 25 Ų | 25 | 13.4 Ų | 13.4 | 26% | 0.258 | 8% | 0.078 | S | C | . | . | S | Bend | trans | 117 | -137.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I314 F315 | G312-I314 PolarHBondContact O-N 3.18Å; G312-F315 WeakPolarHBondContact O-CD2 3.42Å; G312-F315 WeakPolarHBondContact O-CG 3.34Å; G312-F315 PolarHBondContact O-N 2.97Å |
| 313 | I | 88.4 | Confident | 92.9 | Very high | 48 Ų | 48 | 19.2 Ų | 19.2 | 25% | 0.246 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -18.8 | -178.5 | -161.5 | 170.9 | 0 | 0 | 0 | 114.3 | F315 D316 L317 M684 A686 | I313-F315 PolarHBondContact O-N 3.07Å; I313-F315 VanDerWaalsContact O-N 3.12Å; I313-D316 PolarHBondContact O-N 3.1Å; I313-D316 VanDerWaalsContact O-N 3.09Å; I313-L317 HydrophobicContact CG1-CG 4.38Å; I313-L317 HydrophobicContact CG2-CD1 4.33Å; I313-L317 WeakPolarHBondContact O-CG 3.26Å; I313-L317 PolarHBondContact O-N 2.92Å; I313-M684 HydrophobicContact CD1-CB 4.22Å; I313-M684 WeakPolarHBondContact CD1-O 3.49Å; I313-A686 HydrophobicContact CD1-CB 4.47Å |
| 314 | I | 92.1 | Very high | 93 | Very high | 4 Ų | 4 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -50 | -31.8 | 168.9 | -177.4 | 56.2 | 0 | 0 | 0 | 113 | G312 L318 F429 F577 | G312-I314 PolarHBondContact O-N 3.18Å; I314-L318 HydrophobicContact CD1-CD1 4.31Å; I314-L318 HydrophobicContact CD1-CG 4.14Å; I314-L318 HydrophobicContact CG1-CD1 4.09Å; I314-L318 HydrophobicContact CG1-CG 4.43Å; I314-L318 WeakPolarHBondContact O-CB 3.4Å; I314-L318 WeakPolarHBondContact O-CD1 3.35Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.36Å; I314-L318 PolarHBondContact O-N 3.18Å; I314-F429 HydrophobicContact CD1-CZ 4.46Å; I314-F429 HydrophobicContact CG1-CE1 4.03Å; I314-F429 HydrophobicContact CG1-CE2 4.13Å; I314-F429 HydrophobicContact CG1-CZ 3.63Å; I314-F577 HydrophobicContact CD1-CB 3.88Å; I314-F577 HydrophobicContact CD1-CD1 3.14Å; I314-F577 HydrophobicContact CD1-CD2 4.33Å; I314-F577 HydrophobicContact CD1-CE1 3.62Å; I314-F577 HydrophobicContact CD1-CG 3.54Å; I314-F577 HydrophobicContact CD1-CZ 4.38Å |
| 315 | F | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 0% | 0.004 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 177.7 | -55.8 | -42.4 | 0 | 0 | 0 | 112.2 | F140 I229 H255 G312 I313 E319 S437 L438 F463 F465 | F140-F315 HydrophobicContact CE1-CE2 4.18Å; F140-F315 AromaticContact CE1-CZ 3.99Å; F140-F315 HydrophobicContact CE1-CZ 3.99Å; F140-F315 HydrophobicContact CZ-CE2 4.3Å; F140-F315 HydrophobicContact CZ-CZ 4.45Å; I229-F315 HydrophobicContact CD1-CD2 4.25Å; I229-F315 HydrophobicContact CD1-CE2 4.02Å; H255-F315 AromaticContact NE2-CD2 3.71Å; G312-F315 WeakPolarHBondContact O-CD2 3.42Å; G312-F315 WeakPolarHBondContact O-CG 3.34Å; G312-F315 PolarHBondContact O-N 2.97Å; I313-F315 PolarHBondContact O-N 3.07Å; I313-F315 VanDerWaalsContact O-N 3.12Å; F315-E319 PolarHBondContact O-N 2.78Å; F315-S437 WeakPolarHBondContact CZ-OG 3.45Å; F315-L438 HydrophobicContact CE1-CD2 4.38Å; F315-F463 HydrophobicContact CB-CD1 4.37Å; F315-F463 HydrophobicContact CB-CE1 3.73Å; F315-F463 HydrophobicContact CB-CZ 4.17Å; F315-F465 HydrophobicContact CB-CE2 4.33Å; F315-F465 HydrophobicContact CB-CZ 3.99Å; F315-F465 AromaticContact CD1-CE2 3.75Å; F315-F465 HydrophobicContact CD1-CE2 3.75Å; F315-F465 AromaticContact CD1-CZ 3.99Å; F315-F465 HydrophobicContact CD1-CZ 3.99Å; F315-F465 HydrophobicContact CE1-CE2 4.46Å; F315-F465 HydrophobicContact CG-CE2 4.28Å; F315-F465 HydrophobicContact CG-CZ 4.37Å |
| 316 | D | 92.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 23.4 Ų | 23.4 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.7 | -45.7 | -82.1 | 0 | 0 | 0 | 111 | H255 I313 L318 E319 T320 | H255-D316 IonicContact CE1-OD1 3.25Å; H255-D316 IonicContact CE1-OD2 2.72Å; H255-D316 PolarHBondContact CE1-OD2 2.81Å; H255-D316 IonicContact CG-OD1 2.83Å; H255-D316 PolarHBondContact N-OD1 2.84Å; H255-D316 VanDerWaalsContact N-OD1 3.16Å; H255-D316 IonicContact ND1-OD1 3.89Å; H255-D316 PolarHBondContact ND1-OD1 3.16Å; H255-D316 IonicContact ND1-OD2 3.07Å; H255-D316 PolarHBondContact ND1-OD2 2.83Å; I313-D316 PolarHBondContact O-N 3.1Å; I313-D316 VanDerWaalsContact O-N 3.09Å; D316-L318 VanDerWaalsContact C-N 3.34Å; D316-L318 PolarHBondContact O-N 2.72Å; D316-E319 PolarHBondContact O-N 2.83Å; D316-T320 WeakPolarHBondContact O-CB 3.23Å; D316-T320 PolarHBondContact O-N 2.8Å; D316-T320 PolarHBondContact O-OG1 2.82Å |
| 317 | L | 93.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.1 | -33.1 | 179.9 | -65.3 | 177.7 | 0 | 0 | 0 | 112.6 | V287 F290 I313 A321 F577 I620 M684 | V287-L317 HydrophobicContact CG2-CD2 4.48Å; F290-L317 HydrophobicContact CD1-CD2 4.09Å; F290-L317 HydrophobicContact CE1-CB 4.31Å; F290-L317 HydrophobicContact CE1-CD2 3.92Å; F290-L317 HydrophobicContact CZ-CB 4.35Å; F290-L317 HydrophobicContact CZ-CD2 4.43Å; I313-L317 HydrophobicContact CG1-CG 4.38Å; I313-L317 HydrophobicContact CG2-CD1 4.33Å; I313-L317 WeakPolarHBondContact O-CG 3.26Å; I313-L317 PolarHBondContact O-N 2.92Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.16Å; L317-F577 HydrophobicContact CB-CE1 4.3Å; L317-I620 HydrophobicContact CD1-CD1 3.5Å; L317-I620 VanDerWaalsContact CD1-CD1 3.5Å; L317-I620 HydrophobicContact CD1-CG2 4.49Å; L317-M684 HydrophobicContact CD1-SD 4.11Å; L317-M684 HydrophobicContact CD2-SD 3.66Å |
| 318 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.1 | -51.9 | 171.7 | -82.5 | 164.6 | 0 | 0 | 0 | 111.3 | I314 D316 I322 I427 F429 L438 F465 L474 F577 | I314-L318 HydrophobicContact CD1-CD1 4.31Å; I314-L318 HydrophobicContact CD1-CG 4.14Å; I314-L318 HydrophobicContact CG1-CD1 4.09Å; I314-L318 HydrophobicContact CG1-CG 4.43Å; I314-L318 WeakPolarHBondContact O-CB 3.4Å; I314-L318 WeakPolarHBondContact O-CD1 3.35Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.36Å; I314-L318 PolarHBondContact O-N 3.18Å; D316-L318 VanDerWaalsContact C-N 3.34Å; D316-L318 PolarHBondContact O-N 2.72Å; L318-I322 WeakPolarHBondContact O-CD1 3.4Å; L318-I322 WeakPolarHBondContact O-CG1 3.39Å; L318-I322 PolarHBondContact O-N 3.05Å; L318-I322 VanDerWaalsContact O-N 3.11Å; L318-I427 HydrophobicContact CD2-CG2 4.05Å; L318-F429 HydrophobicContact CD1-CD1 3.93Å; L318-F429 HydrophobicContact CD1-CE1 3.98Å; L318-L438 HydrophobicContact CD1-CD2 4.34Å; L318-F465 HydrophobicContact CB-CE1 3.93Å; L318-F465 HydrophobicContact CB-CZ 4.47Å; L318-F465 HydrophobicContact CD1-CE1 4.12Å; L318-F465 HydrophobicContact CD1-CZ 4.31Å; L318-L474 HydrophobicContact CD2-CD1 4.1Å; L318-F577 HydrophobicContact CD2-CD2 3.62Å; L318-F577 HydrophobicContact CD2-CE2 3.54Å; L318-F577 HydrophobicContact CD2-CG 4.48Å; L318-F577 HydrophobicContact CD2-CZ 4.36Å; L318-F577 HydrophobicContact CG-CD2 4.37Å; L318-F577 HydrophobicContact CG-CE2 4.18Å |
| 319 | E | 92.8 | Very high | 92.4 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 23% | 0.229 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 179.9 | -68.4 | -171.2 | 152.2 | 0 | 0 | 111.5 | F315 D316 I322 Q323 K452 F463 F465 | F315-E319 PolarHBondContact O-N 2.78Å; D316-E319 PolarHBondContact O-N 2.83Å; E319-I322 PolarHBondContact O-N 3.15Å; E319-Q323 WeakPolarHBondContact O-CB 3.4Å; E319-Q323 PolarHBondContact O-N 2.94Å; E319-K452 VanDerWaalsContact CD-NZ 3.27Å; E319-K452 IonicContact OE1-NZ 3.82Å; E319-K452 PolarHBondContact OE1-NZ 3.26Å; E319-K452 IonicContact OE2-NZ 2.86Å; E319-K452 PolarHBondContact OE2-NZ 3.48Å; E319-F463 WeakPolarHBondContact OE1-CD1 3.29Å; E319-F465 HydrophobicContact CG-CE1 4.06Å |
| 320 | T | 94.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 34 Ų | 34 | 27% | 0.27 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 179.9 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | V287 D316 I322 Q323 A324 | V287-T320 HydrophobicContact CG1-CG2 3.96Å; D316-T320 WeakPolarHBondContact O-CB 3.23Å; D316-T320 PolarHBondContact O-N 2.8Å; D316-T320 PolarHBondContact O-OG1 2.82Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.02Å; T320-Q323 PolarHBondContact O-N 2.84Å; T320-A324 WeakPolarHBondContact O-CB 3.43Å; T320-A324 PolarHBondContact O-N 2.89Å |
| 321 | A | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F290 L317 K325 L575 F577 | F290-A321 HydrophobicContact CE1-CB 4.08Å; F290-A321 HydrophobicContact CZ-CB 4.27Å; L317-A321 WeakPolarHBondContact O-CB 3.44Å; L317-A321 PolarHBondContact O-N 3.16Å; A321-K325 WeakPolarHBondContact O-CB 3.4Å; A321-K325 WeakPolarHBondContact O-CD 3.2Å; A321-K325 VanDerWaalsContact O-CG 3.23Å; A321-K325 WeakPolarHBondContact O-CG 3.48Å; A321-K325 PolarHBondContact O-N 3.43Å; A321-L575 HydrophobicContact CB-CD2 3.71Å; A321-F577 HydrophobicContact CB-CZ 4.46Å |
| 322 | I | 93.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -48.9 | 173.3 | -70.7 | 165.4 | 0 | 0 | 0 | 110.3 | L318 E319 T320 A324 K325 D326 I427 L468 | L318-I322 WeakPolarHBondContact O-CD1 3.4Å; L318-I322 WeakPolarHBondContact O-CG1 3.39Å; L318-I322 PolarHBondContact O-N 3.05Å; L318-I322 VanDerWaalsContact O-N 3.11Å; E319-I322 PolarHBondContact O-N 3.15Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.02Å; I322-A324 VanDerWaalsContact C-N 3.31Å; I322-A324 PolarHBondContact O-N 2.97Å; I322-K325 PolarHBondContact O-N 3.14Å; I322-D326 PolarHBondContact O-N 3.43Å; I322-I427 HydrophobicContact CD1-CD1 4.02Å; I322-I427 HydrophobicContact CG1-CD1 3.29Å; I322-L468 HydrophobicContact CD1-CD1 3.37Å; I322-L468 HydrophobicContact CD1-CD2 3.98Å; I322-L468 HydrophobicContact CD1-CG 4.29Å |
| 323 | Q | 93 | Very high | 91.6 | Very high | 123 Ų | 123 | 42 Ų | 42 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60 | -40 | 177.5 | -175.8 | 175.4 | -5.2 | 0 | 0 | 111.8 | E319 T320 N327 | E319-Q323 WeakPolarHBondContact O-CB 3.4Å; E319-Q323 PolarHBondContact O-N 2.94Å; T320-Q323 PolarHBondContact O-N 2.84Å; Q323-N327 VanDerWaalsContact CG-ND2 3.35Å; Q323-N327 WeakPolarHBondContact CG-ND2 3.45Å; Q323-N327 VanDerWaalsContact O-CB 3.27Å; Q323-N327 WeakPolarHBondContact O-CB 3.36Å; Q323-N327 PolarHBondContact O-N 2.93Å; Q323-N327 VanDerWaalsContact O-N 3.08Å; Q323-N327 PolarHBondContact O-ND2 3.12Å |
| 324 | A | 94.6 | Very high | 91.1 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C291 V295 T320 I322 N327 F328 | C291-A324 HydrophobicContact CB-CB 3.8Å; V295-A324 HydrophobicContact CG1-CB 3.94Å; V295-A324 WeakPolarHBondContact CG1-O 3.48Å; T320-A324 WeakPolarHBondContact O-CB 3.43Å; T320-A324 PolarHBondContact O-N 2.89Å; I322-A324 VanDerWaalsContact C-N 3.31Å; I322-A324 PolarHBondContact O-N 2.97Å; A324-N327 PolarHBondContact O-N 3.17Å; A324-F328 PolarHBondContact O-N 3.28Å |
| 325 | K | 94.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.1 | -74.8 | 161.9 | 81.2 | -61.5 | 0 | 112.8 | V294 L298 A321 I322 F328 V422 A423 S425 I427 | V294-K325 HydrophobicContact CG1-CG 4.42Å; L298-K325 HydrophobicContact CD1-CD 3.98Å; L298-K325 HydrophobicContact CD1-CG 3.97Å; A321-K325 WeakPolarHBondContact O-CB 3.4Å; A321-K325 WeakPolarHBondContact O-CD 3.2Å; A321-K325 VanDerWaalsContact O-CG 3.23Å; A321-K325 WeakPolarHBondContact O-CG 3.48Å; A321-K325 PolarHBondContact O-N 3.43Å; I322-K325 PolarHBondContact O-N 3.14Å; K325-F328 PolarHBondContact O-N 3.43Å; K325-V422 HydrophobicContact CB-CG1 4.06Å; K325-V422 WeakPolarHBondContact CE-O 3.41Å; K325-V422 HydrophobicContact CG-CG1 3.92Å; K325-V422 PolarHBondContact NZ-O 3.1Å; K325-A423 PolarHBondContact NZ-O 3.23Å; K325-S425 WeakPolarHBondContact CE-O 3.27Å; K325-S425 PolarHBondContact NZ-O 3.4Å; K325-I427 HydrophobicContact CD-CD1 4.12Å; K325-I427 HydrophobicContact CD-CG1 4.38Å |
| 326 | D | 91 | Very high | 89.6 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -73.1 | -28.1 | -178.6 | -74.8 | -11.1 | 0 | 0 | 0 | 112.2 | I322 K473 | I322-D326 PolarHBondContact O-N 3.43Å; D326-K473 IonicContact OD1-NZ 2.68Å; D326-K473 PolarHBondContact OD1-NZ 2.76Å; D326-K473 IonicContact OD2-NZ 2.67Å; D326-K473 PolarHBondContact OD2-NZ 2.85Å |
| 327 | N | 92.8 | Very high | 88.1 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.5 | 176.1 | -69.9 | -47.8 | 0 | 0 | 0 | 114.7 | Q323 A324 N329 | Q323-N327 VanDerWaalsContact CG-ND2 3.35Å; Q323-N327 WeakPolarHBondContact CG-ND2 3.45Å; Q323-N327 VanDerWaalsContact O-CB 3.27Å; Q323-N327 WeakPolarHBondContact O-CB 3.36Å; Q323-N327 PolarHBondContact O-N 2.93Å; Q323-N327 VanDerWaalsContact O-N 3.08Å; Q323-N327 PolarHBondContact O-ND2 3.12Å; A324-N327 PolarHBondContact O-N 3.17Å; N327-N329 PolarHBondContact O-N 2.99Å; N327-N329 VanDerWaalsContact O-N 3.13Å |
| 328 | F | 92.9 | Very high | 86.4 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | trans | -68.2 | 112.8 | -172.8 | 179.3 | -117 | 0 | 0 | 0 | 112.9 | V295 A299 A324 K325 G330 T331 S419 V422 | V295-F328 HydrophobicContact CB-CB 4.29Å; V295-F328 HydrophobicContact CB-CD2 3.72Å; V295-F328 HydrophobicContact CB-CE2 4.21Å; V295-F328 HydrophobicContact CB-CG 3.98Å; V295-F328 HydrophobicContact CG1-CB 4.26Å; V295-F328 HydrophobicContact CG1-CD2 4.43Å; V295-F328 HydrophobicContact CG1-CG 4.49Å; V295-F328 HydrophobicContact CG2-CD2 3.53Å; V295-F328 HydrophobicContact CG2-CE2 3.81Å; V295-F328 HydrophobicContact CG2-CG 4.31Å; A299-F328 HydrophobicContact CB-CE1 3.68Å; A299-F328 HydrophobicContact CB-CZ 3.87Å; A324-F328 PolarHBondContact O-N 3.28Å; K325-F328 PolarHBondContact O-N 3.43Å; F328-G330 VanDerWaalsContact CE1-CA 3.46Å; F328-G330 PolarHBondContact O-N 3.22Å; F328-G330 VanDerWaalsContact O-N 3.08Å; F328-T331 WeakPolarHBondContact CZ-O 3.24Å; F328-S419 WeakPolarHBondContact O-CB 3.47Å; F328-S419 PolarHBondContact O-OG 3.27Å; F328-V422 HydrophobicContact CB-CB 4.48Å; F328-V422 HydrophobicContact CB-CG1 4.01Å; F328-V422 HydrophobicContact CD1-CB 3.79Å; F328-V422 HydrophobicContact CD1-CG1 4.05Å; F328-V422 HydrophobicContact CD1-CG2 3.61Å; F328-V422 HydrophobicContact CE1-CB 4.49Å; F328-V422 HydrophobicContact CE1-CG2 3.83Å; F328-V422 HydrophobicContact CG-CB 4.44Å; F328-V422 HydrophobicContact CG-CG1 4.22Å; F328-V422 HydrophobicContact CG-CG2 4.48Å | ||
| 329 | N | 88.8 | Confident | 84.4 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | trans | -72.6 | 2.1 | -174.3 | 73.9 | 8 | 0 | 0 | 0 | 115.8 | N327 T331 S419 | N327-N329 PolarHBondContact O-N 2.99Å; N327-N329 VanDerWaalsContact O-N 3.13Å; N329-T331 PolarHBondContact ND2-OG1 3.44Å; N329-T331 WeakPolarHBondContact OD1-CB 3.34Å; N329-T331 PolarHBondContact OD1-N 2.86Å; N329-T331 PolarHBondContact OD1-OG1 3.15Å; N329-S419 VanDerWaalsContact C-OG 3.29Å | ||
| 330 | G | 86 | Confident | 82.3 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | trans | 85.7 | 1.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F328 I332 S419 | F328-G330 VanDerWaalsContact CE1-CA 3.46Å; F328-G330 PolarHBondContact O-N 3.22Å; F328-G330 VanDerWaalsContact O-N 3.08Å; G330-I332 PolarHBondContact O-N 3.11Å; G330-S419 VanDerWaalsContact CA-OG 3.25Å; G330-S419 WeakPolarHBondContact CA-OG 3.15Å; G330-S419 PolarHBondContact N-OG 3.27Å | ||
| 331 | T | 88 | Confident | 79.4 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | trans | -75.7 | 104.2 | 178.4 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | Q296 F328 N329 L333 | Q296-T331 PolarHBondContact NE2-O 2.87Å; F328-T331 WeakPolarHBondContact CZ-O 3.24Å; N329-T331 PolarHBondContact ND2-OG1 3.44Å; N329-T331 WeakPolarHBondContact OD1-CB 3.34Å; N329-T331 PolarHBondContact OD1-N 2.86Å; N329-T331 PolarHBondContact OD1-OG1 3.15Å; T331-L333 HydrophobicContact CG2-CD2 4.31Å; T331-L333 HydrophobicContact CG2-CG 4.33Å | ||
| 332 | I | 85.6 | Confident | 76.5 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | trans | -78.6 | 132.3 | 173.8 | -60.8 | -179.2 | 0 | 0 | 0 | 109.7 | A299 H300 G330 | A299-I332 HydrophobicContact CB-CD1 4.38Å; A299-I332 HydrophobicContact CB-CG1 4.04Å; H300-I332 VanDerWaalsContact CE1-CG2 3.44Å; H300-I332 WeakPolarHBondContact CE1-CG2 3.03Å; G330-I332 PolarHBondContact O-N 3.11Å | ||
| 333 | L | 84.6 | Confident | 73.4 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.414 | 39% | 0.389 | S | S | . | . | trans | -126.7 | 148.1 | 179.7 | -67.2 | 171.5 | 0 | 0 | 0 | 110.6 | H300 T331 L335 | H300-L333 PolarHBondContact CE1-O 2.77Å; H300-L333 VanDerWaalsContact CE1-O 3.29Å; T331-L333 HydrophobicContact CG2-CD2 4.31Å; T331-L333 HydrophobicContact CG2-CG 4.33Å; L333-L335 PolarHBondContact O-N 3.42Å | ||
| 334 | P | 78.8 | Confident | 70.3 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | trans | -73.4 | 84.7 | -173.5 | 30 | -35.9 | 0 | 0 | 0 | 112.6 | N339 | P334-N339 HydrophobicContact CB-CB 4Å; P334-N339 WeakPolarHBondContact CB-O 3.32Å | ||
| 335 | L | 79.3 | Confident | 67.1 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | trans | -69 | -47.6 | -179.3 | 175.6 | 61.7 | 0 | 0 | 0 | 113.1 | I293 Q296 T297 L333 Y680 | I293-L335 HydrophobicContact CG1-CD1 4.08Å; I293-L335 HydrophobicContact CG2-CD2 4.27Å; Q296-L335 HydrophobicContact CB-CB 4.3Å; Q296-L335 HydrophobicContact CB-CD2 3.97Å; T297-L335 WeakPolarHBondContact OG1-CD2 3.2Å; L333-L335 PolarHBondContact O-N 3.42Å; L335-Y680 HydrophobicContact CD1-CE1 4.32Å; L335-Y680 WeakPolarHBondContact CG-OH 3.25Å | ||
| 336 | F | 76.1 | Confident | 63.9 | Low | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.009 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -91.1 | 151.7 | -173.7 | -51.9 | -62.8 | 0 | 0 | 0 | 112.6 | T297 H338 N339 H614 S616 Y680 | T297-F336 HydrophobicContact CG2-CZ 4.29Å; F336-H338 VanDerWaalsContact C-N 3.29Å; F336-H338 WeakPolarHBondContact CB-CE1 3.42Å; F336-H338 AromaticContact CD2-NE2 3.97Å; F336-H338 AromaticContact CG-CE1 3.78Å; F336-H338 PolarHBondContact O-N 3.34Å; F336-N339 WeakPolarHBondContact O-CB 3.36Å; F336-N339 PolarHBondContact O-N 3.24Å; F336-H614 AromaticContact CD1-CD2 3.54Å; F336-H614 HydrophobicContact CD2-CB 4.02Å; F336-H614 AromaticContact CE1-CD2 3.54Å; F336-H614 HydrophobicContact CE2-CB 3.87Å; F336-H614 AromaticContact CG-CD2 3.86Å; F336-H614 HydrophobicContact CZ-CB 4.26Å; F336-H614 AromaticContact CZ-CD2 3.84Å; F336-H614 WeakPolarHBondContact CZ-O 3.41Å; F336-S616 WeakPolarHBondContact CE1-OG 3.29Å; F336-Y680 WeakPolarHBondContact CD1-OH 3.4Å; F336-Y680 HydrophobicContact CE1-CE2 4.41Å |
| 337 | M | 60.7 | Low | 60.9 | Low | 97 Ų | 97 | 82 Ų | 82 | 48% | 0.478 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -58.6 | -36 | -177.1 | -84.1 | -65.3 | -177.9 | 0 | 0 | 113.9 | N339 R340 S662 | M337-N339 PolarHBondContact O-N 2.71Å; M337-R340 PolarHBondContact O-N 3.42Å; M337-S662 VanDerWaalsContact CE-CB 3.43Å |
| 338 | H | 58.5 | Low | 57.9 | Low | 109 Ų | 109 | 84.2 Ų | 84.2 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -69.8 | -13.8 | 176.8 | 57.8 | -98.3 | 0 | 0 | 0 | 113.9 | F336 H614 | F336-H338 VanDerWaalsContact C-N 3.29Å; F336-H338 WeakPolarHBondContact CB-CE1 3.42Å; F336-H338 AromaticContact CD2-NE2 3.97Å; F336-H338 AromaticContact CG-CE1 3.78Å; F336-H338 PolarHBondContact O-N 3.34Å; H338-H614 AromaticContact CE1-CE1 3.56Å; H338-H614 AromaticContact CE1-CG 3.59Å; H338-H614 AromaticContact CE1-ND1 3.44Å; H338-H614 PolarHBondContact CE1-ND1 3.24Å |
| 339 | N | 52.4 | Low | 54.8 | Low | 61 Ų | 61 | 90.7 Ų | 90.7 | 33% | 0.326 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -94.1 | -4.4 | 174.7 | -69.7 | -14.8 | 0 | 0 | 0 | 113.1 | H300 P334 F336 M337 | H300-N339 PolarHBondContact CD2-ND2 3.35Å; H300-N339 PolarHBondContact NE2-ND2 2.69Å; P334-N339 HydrophobicContact CB-CB 4Å; P334-N339 WeakPolarHBondContact CB-O 3.32Å; F336-N339 WeakPolarHBondContact O-CB 3.36Å; F336-N339 PolarHBondContact O-N 3.24Å; M337-N339 PolarHBondContact O-N 2.71Å |
| 340 | R | 48.7 | Very low | 52.1 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 38% | 0.377 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -78.9 | 123 | 170.6 | -64.5 | -172.6 | -178.8 | 178.3 | 4 | 108.4 | M337 S342 | M337-R340 PolarHBondContact O-N 3.42Å; R340-S342 PolarHBondContact O-N 3.5Å; R340-S342 VanDerWaalsContact O-N 3.13Å |
| 341 | P | 32.7 | Very low | 49.3 | Very low | 112 Ų | 112 | 100.3 Ų | 100.3 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | trans | -62.8 | 119.6 | -176.7 | 24.7 | -33.4 | 0 | 0 | 0 | 110.2 | S343 | P341-S343 PolarHBondContact O-N 2.53Š| ||
| 342 | S | 33.7 | Very low | 46.3 | Very low | 115 Ų | 115 | 103.5 Ų | 103.5 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | trans | -63.1 | 108.2 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 110 | R340 G344 | R340-S342 PolarHBondContact O-N 3.5Å; R340-S342 VanDerWaalsContact O-N 3.13Å; S342-G344 PolarHBondContact O-N 2.93Å | ||
| 343 | S | 30 | Very low | 43.7 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 79% | 0.79 | 60% | 0.595 | S | S | * | * | trans | -56.3 | 126.3 | 173.5 | -167.7 | 0 | 0 | 0 | 0 | 109.4 | P341 N345 | P341-S343 PolarHBondContact O-N 2.53Å; S343-N345 PolarHBondContact O-N 3.29Å | ||
| 344 | G | 26.2 | Very low | 40.9 | Very low | 71 Ų | 71 | 108 Ų | 108 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | trans | -71 | 95.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S342 N346 | S342-G344 PolarHBondContact O-N 2.93Å; G344-N346 PolarHBondContact O-N 3.21Å | ||
| 345 | N | 28.4 | Very low | 38.5 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 75% | 0.749 | 62% | 0.624 | S | S | * | * | trans | -78.4 | 110.3 | 163.9 | -76.6 | -13 | 0 | 0 | 0 | 109.3 | S343 V347 | S343-N345 PolarHBondContact O-N 3.29Å; N345-V347 HydrophobicContact CB-CG2 4.38Å; N345-V347 PolarHBondContact O-N 2.85Å | ||
| 346 | N | 26.1 | Very low | 36 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 86% | 0.861 | 65% | 0.654 | S | S | * | * | trans | -64.9 | 116.1 | 161.2 | -72.3 | -19.9 | 0 | 0 | 0 | 108.2 | G344 | G344-N346 PolarHBondContact O-N 3.21Š| ||
| 347 | V | 29.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 122 Ų | 122 | 61% | 0.606 | 69% | 0.69 | S | S | * | * | trans | -107.1 | 88.9 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | N345 H349 | N345-V347 HydrophobicContact CB-CG2 4.38Å; N345-V347 PolarHBondContact O-N 2.85Å; V347-H349 VanDerWaalsContact CG1-CD2 3.41Å; V347-H349 WeakPolarHBondContact CG1-CD2 3.21Å; V347-H349 PolarHBondContact O-N 3.43Å | ||
| 348 | D | 28.5 | Very low | 31.9 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 87% | 0.872 | 70% | 0.703 | S | S | * | * | trans | -78.5 | 98.9 | 162.4 | -79 | -43.9 | 0 | 0 | 0 | 108.8 | ||||
| 349 | H | 28.3 | Very low | 30.4 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | -76.9 | 124.5 | 170.5 | -90.2 | -80.3 | 0 | 0 | 0 | 110.8 | V347 | V347-H349 VanDerWaalsContact CG1-CD2 3.41Å; V347-H349 WeakPolarHBondContact CG1-CD2 3.21Å; V347-H349 PolarHBondContact O-N 3.43Å | ||
| 350 | I | 30.9 | Very low | 29.1 | Very low | 170 Ų | 170 | 125.5 Ų | 125.5 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | trans | -129.3 | 128.6 | 150 | -61.2 | -176.7 | 0 | 0 | 0 | 107.6 | ||||
| 351 | E | 28 | Very low | 28.1 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | trans | -95 | 155.4 | -172.5 | -70.3 | -165.4 | 113.8 | 0 | 0 | 114.1 | ||||
| 352 | N | 24.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 51.9 | 131.6 | 143.3 | -63.8 | -35.3 | 0 | 0 | 0 | 121 | ||||
| 353 | T | 30.7 | Very low | 27.4 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | 179.8 | 104.9 | 114 | -73 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 354 | T | 27.1 | Very low | 27.4 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 33.9 | 138.3 | 146.1 | 70.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 355 | N | 26.9 | Very low | 27.3 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 92.5 | 118.1 | 132.3 | -74 | -5.6 | 0 | 0 | 0 | 123.8 | ||||
| 356 | T | 26.8 | Very low | 27.3 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | 67 | 146.4 | 136.3 | 61.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 357 | T | 25.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -169.5 | 172.9 | -13.1 | 26.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 358 | V | 27 | Very low | 27.1 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | 85.4 | 108.7 | 157.8 | -170.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 359 | S | 25.5 | Very low | 26.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 40 | 152.7 | 127.8 | -47.6 | 0 | 0 | 0 | 0 | 123 | |||||
| 360 | S | 25.2 | Very low | 26.8 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | 175.7 | 144.1 | -11.6 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 361 | S | 28.9 | Very low | 26.5 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -174.2 | 98.6 | 151 | 42 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 362 | T | 27.6 | Very low | 26.4 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 30.5 | 117.3 | 133.5 | 48.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 363 | T | 24.7 | Very low | 26.6 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | 61.8 | 153.3 | 127.8 | 66.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 364 | T | 29 | Very low | 26.4 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | cis | -143.1 | 173.4 | 26.8 | 40.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 365 | T | 24 | Very low | 26.2 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -53 | 152.3 | 176.6 | 51.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 366 | S | 29.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | -164.6 | 171.8 | 129.2 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 367 | V | 23.9 | Very low | 25.9 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -101.5 | 143.2 | -170.9 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 368 | G | 27.2 | Very low | 26 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -150.5 | 109.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 369 | T | 23.6 | Very low | 25.8 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -91.2 | 131.6 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 370 | M | 27.4 | Very low | 26 | Very low | 185 Ų | 185 | 138 Ų | 138 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 143.4 | 155.7 | -87.6 | -58.6 | 161.3 | 0 | 0 | 110.4 | ||||
| 371 | N | 25 | Very low | 25.9 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -121.3 | 167.4 | -176.8 | -118.8 | -8.2 | 0 | 0 | 0 | 109.9 | ||||
| 372 | S | 24.7 | Very low | 25.9 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | 59.1 | 121.5 | 162.7 | 58.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 373 | H | 29.1 | Very low | 25.6 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 93% | 0.931 | 82% | 0.819 | S | S | * | * | -113 | 151.8 | 124.9 | -99.9 | -85.7 | 0 | 0 | 0 | 108.7 | |||||
| 374 | S | 27.3 | Very low | 25.7 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -102.4 | 149.4 | -149.4 | -48.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 375 | L | 22.7 | Very low | 25.4 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -56.4 | 135.8 | 150.4 | -74.1 | 160.6 | 0 | 0 | 0 | 109.8 | ||||
| 376 | Q | 26.2 | Very low | 25.4 | Very low | 188 Ų | 188 | 140.2 Ų | 140.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -121.1 | 122 | 156.5 | -110.1 | -176.8 | -13.1 | 0 | 0 | 108.6 | ||||
| 377 | R | 20.6 | Very low | 25.2 | Very low | 236 Ų | 236 | 143.2 Ų | 143.2 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -77.1 | 140.3 | 172.1 | -53.6 | 179.5 | -168.7 | -169.2 | 1 | 108.3 | ||||
| 378 | I | 27.3 | Very low | 25.3 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 127.8 | 155.3 | -64.4 | 179.3 | 0 | 0 | 0 | 106 | ||||
| 379 | S | 22.4 | Very low | 25.3 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -91.9 | 138.2 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 380 | S | 30.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -153.6 | 103.5 | 163 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 381 | D | 22 | Very low | 25.3 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -69.8 | 133.4 | 172.7 | -53.2 | -82.1 | 0 | 0 | 0 | 110.8 | ||||
| 382 | S | 28.5 | Very low | 25.4 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -157.9 | 114 | 151.5 | -37.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 383 | T | 23.3 | Very low | 25.3 | Very low | 144 Ų | 144 | 138.4 Ų | 138.4 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -87.1 | 106.9 | 171.2 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 384 | T | 25.3 | Very low | 25.1 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 68% | 0.681 | 76% | 0.76 | S | S | * | * | trans | -141.7 | 114.7 | 155.5 | 44.7 | 0 | 0 | 0 | 0 | 109 | I386 | T384-I386 PolarHBondContact O-N 3.5Š| ||
| 385 | S | 22.8 | Very low | 25.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | -64.3 | 122.2 | 160.9 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 386 | I | 25.2 | Very low | 25.2 | Very low | 126 Ų | 126 | 138 Ų | 138 | 65% | 0.646 | 76% | 0.756 | S | S | * | * | trans | -122.7 | 114.8 | 172.4 | -61.4 | 178.7 | 0 | 0 | 0 | 106.4 | T384 I388 | T384-I386 PolarHBondContact O-N 3.5Å; I386-I388 HydrophobicContact CG2-CG1 4.03Å | ||
| 387 | E | 23.7 | Very low | 25.1 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -70.6 | 128.2 | 164.7 | -63.9 | 171 | 131.9 | 0 | 0 | 107.4 | ||||
| 388 | I | 27.2 | Very low | 25.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | trans | -110.7 | 100.6 | -178.4 | -60.6 | 179.8 | 0 | 0 | 0 | 108.2 | I386 L390 | I386-I388 HydrophobicContact CG2-CG1 4.03Å; I388-L390 PolarHBondContact O-N 3.45Å | ||
| 389 | D | 25.8 | Very low | 25.2 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | -61.9 | 117.3 | 171.7 | -82.5 | -48 | 0 | 0 | 0 | 110.8 | T391 | D389-T391 PolarHBondContact O-N 3.05Å; D389-T391 VanDerWaalsContact O-N 3.12Å | ||
| 390 | L | 25.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 56% | 0.56 | 74% | 0.742 | S | S | * | * | trans | -83.8 | 59.3 | 161.4 | -79.4 | 106.8 | 0 | 0 | 0 | 111.4 | Y253 I388 | Y253-L390 HydrophobicContact CD1-CB 3.97Å; Y253-L390 HydrophobicContact CD1-CD1 4.46Å; I388-L390 PolarHBondContact O-N 3.45Å | ||
| 391 | T | 26.4 | Very low | 25.1 | Very low | 49 Ų | 49 | 130.3 Ų | 130.3 | 30% | 0.301 | 74% | 0.741 | S | S | . | * | trans | -141 | 114.8 | 159.1 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | D389 V451 | D389-T391 PolarHBondContact O-N 3.05Å; D389-T391 VanDerWaalsContact O-N 3.12Å; T391-V451 HydrophobicContact CG2-CB 3.71Å; T391-V451 HydrophobicContact CG2-CG1 3.62Å; T391-V451 HydrophobicContact CG2-CG2 4.1Å | ||
| 392 | C | 26 | Very low | 25.4 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | 53.8 | 131.7 | 153.3 | 70.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 393 | N | 24.4 | Very low | 25.2 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 84% | 0.84 | 73% | 0.733 | S | S | * | * | trans | 65.4 | 81.6 | 147 | -64.3 | -25.2 | 0 | 0 | 0 | 119.5 | ||||
| 394 | R | 24.7 | Very low | 25.4 | Very low | 247 Ų | 247 | 128.1 Ų | 128.1 | 93% | 0.932 | 73% | 0.729 | S | S | * | * | -146.1 | 127.8 | 126.1 | -122.1 | 172.7 | -172.8 | -171.5 | 2.3 | 114.3 | |||||
| 395 | S | 25.8 | Very low | 25.3 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | trans | -80.9 | 114.7 | 174.6 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 396 | S | 25.7 | Very low | 25.4 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | trans | -139 | 95.9 | 168.9 | 57 | 0 | 0 | 0 | 0 | 111.2 | I398 | S396-I398 PolarHBondContact O-N 3.04Š| ||
| 397 | S | 23.7 | Very low | 25.3 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -70.7 | 112.8 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 398 | I | 26.8 | Very low | 25.5 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -117.7 | 120.1 | 172.4 | -59.6 | 179.2 | 0 | 0 | 0 | 108.6 | S396 I400 | S396-I398 PolarHBondContact O-N 3.04Å; I398-I400 PolarHBondContact O-N 2.72Å | ||
| 399 | P | 24.4 | Very low | 25.4 | Very low | 110 Ų | 110 | 123 Ų | 123 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | trans | -84.1 | 105.6 | -177.9 | 31.8 | -32.5 | 0 | 0 | 0 | 111.6 | T401 | P399-T401 PolarHBondContact O-N 3.15Å; P399-T401 VanDerWaalsContact O-N 3.14Å; P399-T401 PolarHBondContact O-OG1 3.31Å | ||
| 400 | I | 27.4 | Very low | 25.6 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -69 | 112.2 | 169.7 | -63.1 | -179.6 | 0 | 0 | 0 | 108.7 | I398 T402 | I398-I400 PolarHBondContact O-N 2.72Å; I400-T402 HydrophobicContact CG2-CG2 4.31Å | ||
| 401 | T | 22.6 | Very low | 25.8 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -98.8 | 87.3 | -177.4 | -50 | 0 | 0 | 0 | 0 | 109.8 | P399 | P399-T401 PolarHBondContact O-N 3.15Å; P399-T401 VanDerWaalsContact O-N 3.14Å; P399-T401 PolarHBondContact O-OG1 3.31Å | ||
| 402 | T | 28.8 | Very low | 26 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -116.1 | 110.5 | 172.8 | 37.1 | 0 | 0 | 0 | 0 | 110.7 | I400 T404 | I400-T402 HydrophobicContact CG2-CG2 4.31Å; T402-T404 PolarHBondContact O-N 3Å | ||
| 403 | T | 23.2 | Very low | 26.5 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -79 | 108.6 | -171 | -44.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 404 | T | 26.9 | Very low | 27.3 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -143.6 | 95.1 | 163.4 | -44.9 | 0 | 0 | 0 | 0 | 109.8 | T402 A406 | T402-T404 PolarHBondContact O-N 3Å; T404-A406 PolarHBondContact O-N 3.48Å | ||
| 405 | T | 23.5 | Very low | 28.6 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -75.4 | 87.3 | -175.3 | 45 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 406 | A | 25.6 | Very low | 30.2 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | trans | -100.3 | 105.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109 | T404 I408 | T404-A406 PolarHBondContact O-N 3.48Å; A406-I408 VanDerWaalsContact C-N 3.33Å; A406-I408 PolarHBondContact O-N 3.44Å | ||
| 407 | T | 23.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 91% | 0.908 | 71% | 0.708 | S | S | * | * | trans | -73.8 | 80.9 | -179.3 | 25.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 408 | I | 27.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 109.3 Ų | 109.3 | 61% | 0.605 | 67% | 0.671 | S | S | * | * | trans | -80.7 | 125 | 165.3 | -59.1 | 177.8 | 0 | 0 | 0 | 108.3 | A406 Q410 | A406-I408 VanDerWaalsContact C-N 3.33Å; A406-I408 PolarHBondContact O-N 3.44Å; I408-Q410 PolarHBondContact O-N 3.34Å; I408-Q410 VanDerWaalsContact O-N 3.12Å | ||
| 409 | A | 25.9 | Very low | 37.4 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | trans | -70.2 | 106.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T411 | A409-T411 PolarHBondContact O-N 2.69Š| ||
| 410 | Q | 29.8 | Very low | 40.2 | Very low | 168 Ų | 168 | 100.3 Ų | 100.3 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -70.4 | 107 | 175.5 | -69 | 177.7 | -19.2 | 0 | 0 | 110.4 | I408 T412 | I408-Q410 PolarHBondContact O-N 3.34Å; I408-Q410 VanDerWaalsContact O-N 3.12Å; Q410-T412 PolarHBondContact O-N 3.28Å | ||
| 411 | T | 30.9 | Very low | 42.9 | Very low | 126 Ų | 126 | 96.1 Ų | 96.1 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | -73.5 | 90.5 | 168.3 | 24.5 | 0 | 0 | 0 | 0 | 109.9 | A409 V413 | A409-T411 PolarHBondContact O-N 2.69Å; T411-V413 PolarHBondContact O-N 3.08Å | ||
| 412 | T | 29 | Very low | 46.1 | Very low | 129 Ų | 129 | 90.3 Ų | 90.3 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | trans | -73.2 | 63.6 | 176.9 | 43.7 | 0 | 0 | 0 | 0 | 112.5 | Q410 | Q410-T412 PolarHBondContact O-N 3.28Š| ||
| 413 | V | 37.6 | Very low | 48.9 | Very low | 99 Ų | 99 | 86.3 Ų | 86.3 | 60% | 0.6 | 55% | 0.549 | S | S | * | . | trans | -62.4 | 141.8 | 166.3 | -163.3 | 0 | 0 | 0 | 0 | 108.5 | T411 S415 | T411-V413 PolarHBondContact O-N 3.08Å; V413-S415 PolarHBondContact O-N 3.03Å | ||
| 414 | S | 41.4 | Very low | 51.9 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | trans | -48 | 101.9 | -170 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | S416 S417 | S414-S416 VanDerWaalsContact C-N 3.32Å; S414-S416 PolarHBondContact O-N 3.1Å; S414-S417 WeakPolarHBondContact O-CB 3.33Å; S414-S417 PolarHBondContact O-N 3.47Å; S414-S417 VanDerWaalsContact O-N 3.15Å; S414-S417 PolarHBondContact OG-OG 3.5Å | ||
| 415 | S | 50.7 | Low | 54.9 | Low | 68 Ų | 68 | 83.3 Ų | 83.3 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -34.5 | -167.5 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | V413 S417 S418 S419 | V413-S415 PolarHBondContact O-N 3.03Å; S415-S417 VanDerWaalsContact C-N 3.26Å; S415-S417 PolarHBondContact O-N 3.49Å; S415-S418 PolarHBondContact O-N 3.4Å; S415-S418 VanDerWaalsContact O-N 3.17Å; S415-S419 PolarHBondContact O-N 3Å |
| 416 | S | 59 | Low | 58.1 | Low | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.2 | -34.6 | 178.1 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | S414 G420 | S414-S416 VanDerWaalsContact C-N 3.32Å; S414-S416 PolarHBondContact O-N 3.1Å; S416-G420 PolarHBondContact O-N 3.35Å |
| 417 | S | 71.2 | Confident | 61.3 | Low | 72 Ų | 72 | 74.4 Ų | 74.4 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | S414 S415 G420 L421 | S414-S417 WeakPolarHBondContact O-CB 3.33Å; S414-S417 PolarHBondContact O-N 3.47Å; S414-S417 VanDerWaalsContact O-N 3.15Å; S414-S417 PolarHBondContact OG-OG 3.5Å; S415-S417 VanDerWaalsContact C-N 3.26Å; S415-S417 PolarHBondContact O-N 3.49Å; S417-G420 PolarHBondContact O-N 3.46Å; S417-L421 PolarHBondContact O-N 2.93Å |
| 418 | S | 76.5 | Confident | 64.7 | Low | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.6 | -42 | -177 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | S415 G420 L421 V422 | S415-S418 PolarHBondContact O-N 3.4Å; S415-S418 VanDerWaalsContact O-N 3.17Å; S418-G420 VanDerWaalsContact C-N 3.34Å; S418-G420 PolarHBondContact O-N 3.47Å; S418-L421 WeakPolarHBondContact O-CB 3.49Å; S418-L421 PolarHBondContact O-N 3.13Å; S418-V422 WeakPolarHBondContact O-CG2 3.42Å; S418-V422 PolarHBondContact O-N 2.92Å |
| 419 | S | 80.5 | Confident | 67.9 | Low | 30 Ų | 30 | 63 Ų | 63 | 21% | 0.21 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 169.5 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | F328 N329 G330 S415 L421 V422 A423 | F328-S419 WeakPolarHBondContact O-CB 3.47Å; F328-S419 PolarHBondContact O-OG 3.27Å; N329-S419 VanDerWaalsContact C-OG 3.29Å; G330-S419 VanDerWaalsContact CA-OG 3.25Å; G330-S419 WeakPolarHBondContact CA-OG 3.15Å; G330-S419 PolarHBondContact N-OG 3.27Å; S415-S419 PolarHBondContact O-N 3Å; S419-L421 VanDerWaalsContact C-N 3.26Å; S419-L421 PolarHBondContact O-N 3.05Å; S419-V422 PolarHBondContact O-N 3.45Å; S419-A423 WeakPolarHBondContact O-CB 3.47Å; S419-A423 PolarHBondContact O-N 3.09Å |
| 420 | G | 82.4 | Confident | 71.1 | Confident | 30 Ų | 30 | 58.9 Ų | 58.9 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -30.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S416 S417 S418 R424 | S416-G420 PolarHBondContact O-N 3.35Å; S417-G420 PolarHBondContact O-N 3.46Å; S418-G420 VanDerWaalsContact C-N 3.34Å; S418-G420 PolarHBondContact O-N 3.47Å; G420-R424 VanDerWaalsContact O-CB 3.31Å; G420-R424 WeakPolarHBondContact O-CB 3.36Å; G420-R424 WeakPolarHBondContact O-CD 3.44Å; G420-R424 VanDerWaalsContact O-CG 3.26Å; G420-R424 WeakPolarHBondContact O-CG 3.46Å; G420-R424 PolarHBondContact O-N 3.27Å |
| 421 | L | 85 | Confident | 74.1 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 33% | 0.33 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.3 | -55 | 173.9 | -173 | 64.4 | 0 | 0 | 0 | 111.1 | S417 S418 S419 A423 R424 S425 P573 | S417-L421 PolarHBondContact O-N 2.93Å; S418-L421 WeakPolarHBondContact O-CB 3.49Å; S418-L421 PolarHBondContact O-N 3.13Å; S419-L421 VanDerWaalsContact C-N 3.26Å; S419-L421 PolarHBondContact O-N 3.05Å; L421-A423 PolarHBondContact O-N 3.36Å; L421-R424 CarbonylContact O-C 3.59Å; L421-R424 PolarHBondContact O-N 2.91Å; L421-R424 VanDerWaalsContact O-N 3.17Å; L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 PolarHBondContact O-OG 3.09Å; L421-S425 VanDerWaalsContact O-OG 3.13Å; L421-P573 HydrophobicContact CD1-CG 3.77Å; L421-P573 HydrophobicContact CD2-CG 4.02Å; L421-P573 HydrophobicContact CG-CG 3.76Å |
| 422 | V | 90.1 | Very high | 76.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | -177 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | V295 L298 A299 K325 F328 S418 S419 R424 S425 | V295-V422 HydrophobicContact CB-CG1 4.12Å; V295-V422 HydrophobicContact CG1-CG1 4.13Å; L298-V422 HydrophobicContact CB-CB 4.5Å; L298-V422 HydrophobicContact CB-CG1 4.37Å; L298-V422 HydrophobicContact CB-CG2 3.9Å; L298-V422 HydrophobicContact CD1-CG1 4.35Å; A299-V422 HydrophobicContact CB-CG2 3.74Å; K325-V422 HydrophobicContact CB-CG1 4.06Å; K325-V422 WeakPolarHBondContact CE-O 3.41Å; K325-V422 HydrophobicContact CG-CG1 3.92Å; K325-V422 PolarHBondContact NZ-O 3.1Å; F328-V422 HydrophobicContact CB-CB 4.48Å; F328-V422 HydrophobicContact CB-CG1 4.01Å; F328-V422 HydrophobicContact CD1-CB 3.79Å; F328-V422 HydrophobicContact CD1-CG1 4.05Å; F328-V422 HydrophobicContact CD1-CG2 3.61Å; F328-V422 HydrophobicContact CE1-CB 4.49Å; F328-V422 HydrophobicContact CE1-CG2 3.83Å; F328-V422 HydrophobicContact CG-CB 4.44Å; F328-V422 HydrophobicContact CG-CG1 4.22Å; F328-V422 HydrophobicContact CG-CG2 4.48Å; S418-V422 WeakPolarHBondContact O-CG2 3.42Å; S418-V422 PolarHBondContact O-N 2.92Å; S419-V422 PolarHBondContact O-N 3.45Å; V422-R424 VanDerWaalsContact C-N 3.32Å; V422-R424 PolarHBondContact O-N 3.42Å; V422-S425 WeakPolarHBondContact O-CB 3.47Å; V422-S425 PolarHBondContact O-N 3.36Å |
| 423 | A | 87.3 | Confident | 80 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K325 S419 L421 | K325-A423 PolarHBondContact NZ-O 3.23Å; S419-A423 WeakPolarHBondContact O-CB 3.47Å; S419-A423 PolarHBondContact O-N 3.09Å; L421-A423 PolarHBondContact O-N 3.36Å |
| 424 | R | 86.9 | Confident | 82.8 | Confident | 186 Ų | 186 | 37.1 Ų | 37.1 | 70% | 0.702 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -83.7 | -14.9 | -179.8 | -72 | 178 | 170.6 | 164.1 | -2.6 | 114.9 | G420 L421 V422 P426 | G420-R424 VanDerWaalsContact O-CB 3.31Å; G420-R424 WeakPolarHBondContact O-CB 3.36Å; G420-R424 WeakPolarHBondContact O-CD 3.44Å; G420-R424 VanDerWaalsContact O-CG 3.26Å; G420-R424 WeakPolarHBondContact O-CG 3.46Å; G420-R424 PolarHBondContact O-N 3.27Å; L421-R424 CarbonylContact O-C 3.59Å; L421-R424 PolarHBondContact O-N 2.91Å; L421-R424 VanDerWaalsContact O-N 3.17Å; V422-R424 VanDerWaalsContact C-N 3.32Å; V422-R424 PolarHBondContact O-N 3.42Å; R424-P426 WeakPolarHBondContact O-CD 3.43Å |
| 425 | S | 89.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | trans | -52.3 | 119.3 | 175.1 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | K325 L421 V422 P573 | K325-S425 WeakPolarHBondContact CE-O 3.27Å; K325-S425 PolarHBondContact NZ-O 3.4Å; L421-S425 PolarHBondContact O-N 3.42Å; L421-S425 PolarHBondContact O-OG 3.09Å; L421-S425 VanDerWaalsContact O-OG 3.13Å; V422-S425 WeakPolarHBondContact O-CB 3.47Å; V422-S425 PolarHBondContact O-N 3.36Å; S425-P573 WeakPolarHBondContact CA-O 3.27Å; S425-P573 WeakPolarHBondContact CB-O 3.49Å; S425-P573 PolarHBondContact OG-O 2.92Å | ||
| 426 | P | 90 | Very high | 87.4 | Confident | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | trans | -69.8 | 152.7 | 178.8 | 28.6 | -34.2 | 0 | 0 | 0 | 111 | R424 F428 C574 L575 | R424-P426 WeakPolarHBondContact O-CD 3.43Å; P426-F428 HydrophobicContact CB-CE2 4.08Å; P426-F428 HydrophobicContact CG-CE2 3.84Å; P426-F428 HydrophobicContact CG-CZ 4.4Å; P426-C574 HydrophobicContact CG-CB 3.91Å; P426-C574 WeakPolarHBondContact O-CA 3.46Å; P426-C574 WeakPolarHBondContact O-CB 3.46Å; P426-L575 PolarHBondContact O-N 2.6Å | ||
| 427 | I | 93.7 | Very high | 89.2 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 124.6 | 172.9 | -53.9 | -179.3 | 0 | 0 | 0 | 108.2 | L318 I322 K325 K473 L474 V475 L575 F577 | L318-I427 HydrophobicContact CD2-CG2 4.05Å; I322-I427 HydrophobicContact CD1-CD1 4.02Å; I322-I427 HydrophobicContact CG1-CD1 3.29Å; K325-I427 HydrophobicContact CD-CD1 4.12Å; K325-I427 HydrophobicContact CD-CG1 4.38Å; I427-K473 PolarHBondContact N-O 3.15Å; I427-L474 HydrophobicContact CB-CD1 4.17Å; I427-L474 HydrophobicContact CG2-CD1 3.88Å; I427-L474 CarbonylContact O-C 3.57Å; I427-L474 WeakPolarHBondContact O-CA 3.49Å; I427-V475 PolarHBondContact O-N 2.97Å; I427-L575 CarbonylContact C-O 3.51Å; I427-L575 VanDerWaalsContact CA-O 3.29Å; I427-L575 WeakPolarHBondContact CA-O 3.35Å; I427-L575 HydrophobicContact CD1-CD2 4.22Å; I427-L575 HydrophobicContact CG1-CB 4.31Å; I427-L575 HydrophobicContact CG1-CD2 4.25Å; I427-L575 HydrophobicContact CG2-CD2 4.29Å; I427-L575 HydrophobicContact CG2-CG 4.28Å; I427-F577 HydrophobicContact CG2-CD2 3.91Å; I427-F577 HydrophobicContact CG2-CE2 3.95Å |
| 428 | F | 93.1 | Very high | 90.4 | Very high | 27 Ų | 27 | 29.7 Ų | 29.7 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 143.5 | 171.8 | -65.3 | -91.2 | 0 | 0 | 0 | 109.9 | P426 I430 V475 L477 P570 C574 L575 I576 F577 | P426-F428 HydrophobicContact CB-CE2 4.08Å; P426-F428 HydrophobicContact CG-CE2 3.84Å; P426-F428 HydrophobicContact CG-CZ 4.4Å; F428-I430 HydrophobicContact CB-CD1 4.45Å; F428-I430 HydrophobicContact CB-CG1 4.3Å; F428-V475 WeakPolarHBondContact CA-O 3.42Å; F428-V475 HydrophobicContact CD1-CB 3.7Å; F428-V475 HydrophobicContact CD1-CG1 3.83Å; F428-V475 HydrophobicContact CD1-CG2 4.47Å; F428-V475 HydrophobicContact CE1-CB 3.87Å; F428-V475 HydrophobicContact CE1-CG1 3.81Å; F428-V475 HydrophobicContact CE1-CG2 4.23Å; F428-V475 HydrophobicContact CG-CB 4.45Å; F428-L477 HydrophobicContact CD1-CD1 3.89Å; F428-L477 HydrophobicContact CE1-CD1 4.39Å; F428-P570 HydrophobicContact CE2-CB 4.47Å; F428-P570 HydrophobicContact CE2-CG 3.57Å; F428-P570 HydrophobicContact CZ-CG 3.77Å; F428-C574 HydrophobicContact CD2-CB 4.01Å; F428-C574 HydrophobicContact CE2-CB 3.85Å; F428-L575 PolarHBondContact N-O 3.1Å; F428-I576 HydrophobicContact CB-CB 4.47Å; F428-I576 HydrophobicContact CB-CG1 4.26Å; F428-I576 HydrophobicContact CB-CG2 4.15Å; F428-I576 HydrophobicContact CD2-CG1 4.25Å; F428-I576 WeakPolarHBondContact O-CA 3.19Å; F428-F577 PolarHBondContact O-N 3.09Å |
| 429 | F | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 115.6 | 168.8 | -169.9 | -174.5 | 0 | 0 | 0 | 108.4 | I314 L318 V434 L438 L474 V475 A476 L477 F577 | I314-F429 HydrophobicContact CD1-CZ 4.46Å; I314-F429 HydrophobicContact CG1-CE1 4.03Å; I314-F429 HydrophobicContact CG1-CE2 4.13Å; I314-F429 HydrophobicContact CG1-CZ 3.63Å; L318-F429 HydrophobicContact CD1-CD1 3.93Å; L318-F429 HydrophobicContact CD1-CE1 3.98Å; F429-V434 HydrophobicContact CB-CG2 3.93Å; F429-V434 HydrophobicContact CD1-CG2 3.53Å; F429-V434 HydrophobicContact CD2-CG2 4.17Å; F429-V434 HydrophobicContact CE1-CG2 4.03Å; F429-V434 HydrophobicContact CG-CG2 3.6Å; F429-L438 HydrophobicContact CD1-CD1 4.19Å; F429-L438 HydrophobicContact CD1-CD2 4.13Å; F429-L438 HydrophobicContact CD1-CG 4.34Å; F429-L438 HydrophobicContact CE1-CD2 4.01Å; F429-L438 HydrophobicContact CE1-CG 4.33Å; F429-L474 HydrophobicContact CB-CD1 4.24Å; F429-V475 PolarHBondContact N-O 2.76Å; F429-A476 WeakPolarHBondContact O-CA 3.23Å; F429-L477 PolarHBondContact O-N 3.38Å; F429-F577 CarbonylContact C-O 3.5Å; F429-F577 WeakPolarHBondContact CA-O 3.46Å; F429-F577 HydrophobicContact CD2-CB 3.84Å; F429-F577 HydrophobicContact CE2-CB 4.38Å; F429-F577 HydrophobicContact CG-CB 4.35Å |
| 430 | I | 93 | Very high | 92 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 108.4 | -167.7 | -47.5 | -173.3 | 0 | 0 | 0 | 110 | F428 L477 L480 I576 F577 A578 S579 P587 L591 | F428-I430 HydrophobicContact CB-CD1 4.45Å; F428-I430 HydrophobicContact CB-CG1 4.3Å; I430-L477 WeakPolarHBondContact CA-O 3.48Å; I430-L477 HydrophobicContact CD1-CD1 4.23Å; I430-L477 HydrophobicContact CG1-CB 4.34Å; I430-L477 HydrophobicContact CG1-CD1 4.35Å; I430-L477 HydrophobicContact CG2-CB 4.48Å; I430-L480 HydrophobicContact CD1-CD2 4Å; I430-L480 HydrophobicContact CG2-CD2 4.28Å; I430-I576 HydrophobicContact CD1-CG2 3.84Å; I430-I576 HydrophobicContact CG1-CG2 4.2Å; I430-F577 PolarHBondContact N-O 3.32Å; I430-A578 HydrophobicContact CB-CB 4.46Å; I430-A578 WeakPolarHBondContact O-CA 3.36Å; I430-S579 PolarHBondContact O-N 3.15Å; I430-P587 HydrophobicContact CG2-CB 3.88Å; I430-P587 HydrophobicContact CG2-CG 4.06Å; I430-L591 HydrophobicContact CD1-CD1 4.29Å |
| 431 | S | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | trans | -163.9 | 143.3 | 177.8 | 149 | 0 | 0 | 0 | 0 | 108.7 | D147 P310 Q433 V434 L477 K478 | D147-S431 WeakPolarHBondContact OD1-CB 3.42Å; D147-S431 PolarHBondContact OD1-OG 3.42Å; P310-S431 WeakPolarHBondContact CB-OG 3.36Å; S431-Q433 PolarHBondContact O-N 3.35Å; S431-Q433 VanDerWaalsContact O-N 3.1Å; S431-Q433 PolarHBondContact OG-N 3.07Å; S431-Q433 VanDerWaalsContact OG-N 3.08Å; S431-V434 WeakPolarHBondContact O-CB 3.33Å; S431-V434 VanDerWaalsContact O-CG1 3.23Å; S431-V434 WeakPolarHBondContact O-CG1 3.5Å; S431-V434 PolarHBondContact O-N 3.19Å; S431-V434 VanDerWaalsContact O-N 3.09Å; S431-V434 PolarHBondContact OG-N 3.03Å; S431-L477 PolarHBondContact N-O 2.69Å; S431-L477 VanDerWaalsContact N-O 3.16Å; S431-K478 CarbonylContact C-O 3.57Å; S431-K478 VanDerWaalsContact C-O 3.3Å; S431-K478 WeakPolarHBondContact O-CA 3.41Å | ||
| 432 | N | 91.5 | Very high | 93 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 19% | 0.193 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.5 | 176.4 | -90.3 | -72.5 | 0 | 0 | 0 | 112.5 | D147 C150 E151 K478 | D147-N432 PolarHBondContact OD1-N 2.8Å; C150-N432 HydrophobicContact CB-CB 3.96Å; E151-N432 PolarHBondContact OE1-ND2 2.93Å; N432-K478 WeakPolarHBondContact CA-O 3.24Å; N432-K478 PolarHBondContact N-O 2.94Å; N432-K478 VanDerWaalsContact N-O 3.15Å; N432-K478 PolarHBondContact OD1-O 3.34Å |
| 433 | Q | 94.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 5.5 | 179.9 | -57.7 | -51.8 | -37.3 | 0 | 0 | 115.4 | I143 D146 D147 S431 H435 V436 S437 | I143-Q433 HydrophobicContact CB-CB 4.4Å; I143-Q433 HydrophobicContact CG1-CB 4.29Å; I143-Q433 HydrophobicContact CG2-CB 3.85Å; I143-Q433 HydrophobicContact CG2-CG 4.43Å; D146-Q433 HydrophobicContact CB-CG 3.98Å; D146-Q433 VanDerWaalsContact CB-NE2 3.34Å; D147-Q433 HydrophobicContact CB-CG 4.06Å; D147-Q433 PolarHBondContact OD1-N 3.19Å; S431-Q433 PolarHBondContact O-N 3.35Å; S431-Q433 VanDerWaalsContact O-N 3.1Å; S431-Q433 PolarHBondContact OG-N 3.07Å; S431-Q433 VanDerWaalsContact OG-N 3.08Å; Q433-H435 VanDerWaalsContact C-N 3.33Å; Q433-H435 PolarHBondContact O-N 2.98Å; Q433-H435 VanDerWaalsContact O-N 3.13Å; Q433-V436 PolarHBondContact O-N 2.96Å; Q433-S437 PolarHBondContact O-N 3.11Å |
| 434 | V | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -48.6 | -46.8 | -171.7 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | F429 S431 V436 S437 L438 A476 | F429-V434 HydrophobicContact CB-CG2 3.93Å; F429-V434 HydrophobicContact CD1-CG2 3.53Å; F429-V434 HydrophobicContact CD2-CG2 4.17Å; F429-V434 HydrophobicContact CE1-CG2 4.03Å; F429-V434 HydrophobicContact CG-CG2 3.6Å; S431-V434 WeakPolarHBondContact O-CB 3.33Å; S431-V434 VanDerWaalsContact O-CG1 3.23Å; S431-V434 WeakPolarHBondContact O-CG1 3.5Å; S431-V434 PolarHBondContact O-N 3.19Å; S431-V434 VanDerWaalsContact O-N 3.09Å; S431-V434 PolarHBondContact OG-N 3.03Å; V434-V436 VanDerWaalsContact C-N 3.33Å; V434-V436 PolarHBondContact O-N 2.86Å; V434-S437 PolarHBondContact O-N 3.34Å; V434-L438 HydrophobicContact CG2-CD1 3.93Å; V434-L438 HydrophobicContact CG2-CG 4.44Å; V434-L438 WeakPolarHBondContact O-CG 3.36Å; V434-L438 PolarHBondContact O-N 2.93Å; V434-A476 HydrophobicContact CG1-CB 3.9Å; V434-A476 HydrophobicContact CG2-CB 3.76Å |
| 435 | H | 94.5 | Very high | 93.8 | Very high | 85 Ų | 85 | 24 Ų | 24 | 39% | 0.394 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -69.5 | -29.1 | -178.7 | -64.1 | -75.6 | 0 | 0 | 0 | 113.3 | Q433 A439 | Q433-H435 VanDerWaalsContact C-N 3.33Å; Q433-H435 PolarHBondContact O-N 2.98Å; Q433-H435 VanDerWaalsContact O-N 3.13Å; H435-A439 VanDerWaalsContact O-CB 3.28Å; H435-A439 WeakPolarHBondContact O-CB 3.5Å; H435-A439 PolarHBondContact O-N 3.12Å |
| 436 | V | 95.7 | Very high | 93.9 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 30% | 0.303 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -75.8 | -41.3 | 177.9 | -170 | 0 | 0 | 0 | 0 | 109.2 | I143 Q433 V434 A439 Y440 | I143-V436 HydrophobicContact CD1-CB 4.35Å; I143-V436 HydrophobicContact CD1-CG1 4.1Å; I143-V436 HydrophobicContact CG1-CB 4.45Å; I143-V436 HydrophobicContact CG1-CG1 4.25Å; Q433-V436 PolarHBondContact O-N 2.96Å; V434-V436 VanDerWaalsContact C-N 3.33Å; V434-V436 PolarHBondContact O-N 2.86Å; V436-A439 PolarHBondContact O-N 2.91Å; V436-Y440 HydrophobicContact CG1-CD1 4.44Å; V436-Y440 HydrophobicContact CG1-CD2 4Å; V436-Y440 HydrophobicContact CG1-CE1 4.06Å; V436-Y440 HydrophobicContact CG1-CE2 3.54Å; V436-Y440 HydrophobicContact CG1-CG 4.41Å; V436-Y440 WeakPolarHBondContact O-CB 3.45Å; V436-Y440 PolarHBondContact O-N 2.89Å |
| 437 | S | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 176.3 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | P310 F315 Q433 V434 A439 Y440 S441 | P310-S437 VanDerWaalsContact O-CB 3.29Å; P310-S437 WeakPolarHBondContact O-CB 3.5Å; P310-S437 PolarHBondContact O-OG 3.45Å; F315-S437 WeakPolarHBondContact CZ-OG 3.45Å; Q433-S437 PolarHBondContact O-N 3.11Å; V434-S437 PolarHBondContact O-N 3.34Å; S437-A439 PolarHBondContact O-N 2.85Å; S437-Y440 PolarHBondContact O-N 2.98Å; S437-S441 PolarHBondContact O-N 3.09Å; S437-S441 PolarHBondContact O-OG 3.32Å |
| 438 | L | 95.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 29 Ų | 29 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.1 | -19.3 | 177.5 | -63.1 | 174.2 | 0 | 0 | 0 | 113.7 | F315 L318 F429 V434 S441 F465 L469 L474 A476 | F315-L438 HydrophobicContact CE1-CD2 4.38Å; L318-L438 HydrophobicContact CD1-CD2 4.34Å; F429-L438 HydrophobicContact CD1-CD1 4.19Å; F429-L438 HydrophobicContact CD1-CD2 4.13Å; F429-L438 HydrophobicContact CD1-CG 4.34Å; F429-L438 HydrophobicContact CE1-CD2 4.01Å; F429-L438 HydrophobicContact CE1-CG 4.33Å; V434-L438 HydrophobicContact CG2-CD1 3.93Å; V434-L438 HydrophobicContact CG2-CG 4.44Å; V434-L438 WeakPolarHBondContact O-CG 3.36Å; V434-L438 PolarHBondContact O-N 2.93Å; L438-S441 PolarHBondContact O-OG 2.68Å; L438-F465 HydrophobicContact CB-CD2 4.46Å; L438-F465 HydrophobicContact CD2-CB 4.25Å; L438-F465 HydrophobicContact CD2-CD1 4.39Å; L438-F465 HydrophobicContact CD2-CD2 3.5Å; L438-F465 VanDerWaalsContact CD2-CD2 3.5Å; L438-F465 HydrophobicContact CD2-CE2 3.86Å; L438-F465 HydrophobicContact CD2-CG 3.81Å; L438-F465 HydrophobicContact CD2-CZ 4.46Å; L438-L469 HydrophobicContact CD1-CD1 4.36Å; L438-L474 HydrophobicContact CD1-CD2 4.29Å; L438-A476 HydrophobicContact CD1-CB 4.33Å |
| 439 | A | 94.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 44% | 0.438 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -81.4 | -45 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | H435 V436 S437 S441 N442 A443 | H435-A439 VanDerWaalsContact O-CB 3.28Å; H435-A439 WeakPolarHBondContact O-CB 3.5Å; H435-A439 PolarHBondContact O-N 3.12Å; V436-A439 PolarHBondContact O-N 2.91Å; S437-A439 PolarHBondContact O-N 2.85Å; A439-S441 PolarHBondContact O-N 3.05Å; A439-N442 PolarHBondContact O-N 2.62Å; A439-A443 WeakPolarHBondContact O-CB 3.2Å; A439-A443 PolarHBondContact O-N 2.87Å |
| 440 | Y | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 31.1 Ų | 31.1 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -33.1 | -179.8 | -73 | -7.7 | 0 | 0 | 0 | 113.3 | K139 I143 V436 S437 N442 A443 Y444 | K139-Y440 HydrophobicContact CB-CD2 3.88Å; K139-Y440 HydrophobicContact CB-CE2 3.68Å; K139-Y440 HydrophobicContact CD-CE2 4.34Å; I143-Y440 HydrophobicContact CD1-CD2 3.53Å; I143-Y440 HydrophobicContact CD1-CE2 3.98Å; I143-Y440 HydrophobicContact CD1-CG 4.47Å; V436-Y440 HydrophobicContact CG1-CD1 4.44Å; V436-Y440 HydrophobicContact CG1-CD2 4Å; V436-Y440 HydrophobicContact CG1-CE1 4.06Å; V436-Y440 HydrophobicContact CG1-CE2 3.54Å; V436-Y440 HydrophobicContact CG1-CG 4.41Å; V436-Y440 WeakPolarHBondContact O-CB 3.45Å; V436-Y440 PolarHBondContact O-N 2.89Å; S437-Y440 PolarHBondContact O-N 2.98Å; Y440-N442 PolarHBondContact O-N 3.13Å; Y440-A443 PolarHBondContact O-N 3.49Å; Y440-A443 VanDerWaalsContact O-N 3.15Å; Y440-Y444 HydrophobicContact CD1-CE2 4.15Å; Y440-Y444 HydrophobicContact CD2-CE2 4.32Å; Y440-Y444 AromaticContact CG-CE2 3.89Å; Y440-Y444 HydrophobicContact CG-CE2 3.89Å; Y440-Y444 VanDerWaalsContact O-CD2 3.3Å; Y440-Y444 WeakPolarHBondContact O-CD2 3.04Å; Y440-Y444 PolarHBondContact O-N 2.66Å; Y440-Y444 VanDerWaalsContact O-N 3.13Å |
| 441 | S | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -28.7 | 173.4 | 62.1 | 0 | 0 | 0 | 0 | 113.2 | S437 L438 A439 F463 | S437-S441 PolarHBondContact O-N 3.09Å; S437-S441 PolarHBondContact O-OG 3.32Å; L438-S441 PolarHBondContact O-OG 2.68Å; A439-S441 PolarHBondContact O-N 3.05Å; S441-F463 WeakPolarHBondContact O-CD2 3.35Å; S441-F463 VanDerWaalsContact O-CE2 3.23Å; S441-F463 WeakPolarHBondContact O-CE2 3.49Å |
| 442 | N | 93.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 17% | 0.171 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -92.1 | -20.1 | 173.7 | -82.2 | -47 | 0 | 0 | 0 | 113.8 | A439 Y440 P462 F463 | A439-N442 PolarHBondContact O-N 2.62Å; Y440-N442 PolarHBondContact O-N 3.13Å; N442-P462 WeakPolarHBondContact OD1-CD 3.45Å; N442-F463 PolarHBondContact ND2-O 2.94Å; N442-F463 VanDerWaalsContact ND2-O 3.09Å; N442-F463 PolarHBondContact OD1-N 2.83Å; N442-F463 PolarHBondContact OD1-O 3.06Å |
| 443 | A | 94.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 34 Ų | 34 | 50% | 0.504 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -80 | -38.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | A439 Y440 G445 | A439-A443 WeakPolarHBondContact O-CB 3.2Å; A439-A443 PolarHBondContact O-N 2.87Å; Y440-A443 PolarHBondContact O-N 3.49Å; Y440-A443 VanDerWaalsContact O-N 3.15Å; A443-G445 PolarHBondContact O-N 3.35Å |
| 444 | Y | 95.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 35 Ų | 35 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | trans | -91.9 | 46.4 | 179.8 | -61.4 | -64.4 | 0 | 0 | 0 | 111.8 | E135 P136 K139 F140 Y440 E446 W447 | E135-Y444 HydrophobicContact CG-CE1 4.12Å; P136-Y444 HydrophobicContact CB-CD2 4.16Å; P136-Y444 HydrophobicContact CB-CG 4.13Å; P136-Y444 HydrophobicContact CG-CD1 3.88Å; P136-Y444 HydrophobicContact CG-CD2 4.36Å; P136-Y444 HydrophobicContact CG-CE1 4.46Å; P136-Y444 HydrophobicContact CG-CG 3.85Å; K139-Y444 HydrophobicContact CB-CE2 4.2Å; K139-Y444 WeakPolarHBondContact CD-OH 3.36Å; K139-Y444 WeakPolarHBondContact CE-OH 3.45Å; K139-Y444 HydrophobicContact CG-CE2 4.33Å; K139-Y444 WeakPolarHBondContact CG-OH 3.2Å; F140-Y444 HydrophobicContact CE2-CD2 4.26Å; Y440-Y444 HydrophobicContact CD1-CE2 4.15Å; Y440-Y444 HydrophobicContact CD2-CE2 4.32Å; Y440-Y444 AromaticContact CG-CE2 3.89Å; Y440-Y444 HydrophobicContact CG-CE2 3.89Å; Y440-Y444 VanDerWaalsContact O-CD2 3.3Å; Y440-Y444 WeakPolarHBondContact O-CD2 3.04Å; Y440-Y444 PolarHBondContact O-N 2.66Å; Y440-Y444 VanDerWaalsContact O-N 3.13Å; Y444-E446 WeakPolarHBondContact CA-OE2 3.5Å; Y444-E446 PolarHBondContact O-N 3.28Å; Y444-W447 PolarHBondContact O-N 2.71Å | ||
| 445 | G | 92.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -65.8 | -21.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A443 W447 L448 | A443-G445 PolarHBondContact O-N 3.35Å; G445-W447 VanDerWaalsContact C-N 3.25Å; G445-W447 PolarHBondContact O-N 2.93Å; G445-L448 WeakPolarHBondContact O-CB 3.43Å; G445-L448 PolarHBondContact O-N 3.31Å |
| 446 | E | 91.2 | Very high | 94 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 52% | 0.519 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -77 | -5.8 | 173.4 | 78.6 | -72.8 | -173.9 | 0 | 0 | 114 | Y444 | Y444-E446 WeakPolarHBondContact CA-OE2 3.5Å; Y444-E446 PolarHBondContact O-N 3.28Å |
| 447 | W | 96.2 | Very high | 93.7 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -106.1 | 10.6 | 174.7 | -55.4 | 78 | 0 | 0 | 0 | 112.5 | T134 P136 Y208 I229 L257 Y444 G445 | T134-W447 HydrophobicContact CG2-CH2 3.95Å; T134-W447 HydrophobicContact CG2-CZ3 3.71Å; P136-W447 HydrophobicContact CG-CB 4.42Å; P136-W447 HydrophobicContact CG-CD2 3.54Å; P136-W447 HydrophobicContact CG-CE3 4.08Å; P136-W447 HydrophobicContact CG-CG 3.69Å; P136-W447 HydrophobicContact CG-CZ2 4.16Å; Y208-W447 AromaticContact CD1-CZ3 4Å; Y208-W447 HydrophobicContact CD1-CZ3 4Å; Y208-W447 AromaticContact CD2-CE3 3.71Å; Y208-W447 HydrophobicContact CD2-CE3 3.71Å; Y208-W447 AromaticContact CD2-CZ3 3.7Å; Y208-W447 HydrophobicContact CD2-CZ3 3.7Å; Y208-W447 HydrophobicContact CE1-CE3 4.26Å; Y208-W447 AromaticContact CE1-CZ3 3.89Å; Y208-W447 HydrophobicContact CE1-CZ3 3.89Å; Y208-W447 HydrophobicContact CE2-CD2 4.32Å; Y208-W447 AromaticContact CE2-CE3 3.25Å; Y208-W447 HydrophobicContact CE2-CE3 3.25Å; Y208-W447 AromaticContact CE2-CZ3 3.59Å; Y208-W447 HydrophobicContact CE2-CZ3 3.59Å; Y208-W447 HydrophobicContact CG-CE3 4.38Å; Y208-W447 AromaticContact CG-CZ3 3.91Å; Y208-W447 HydrophobicContact CG-CZ3 3.91Å; Y208-W447 AromaticContact CZ-CE3 3.57Å; Y208-W447 AromaticContact CZ-CZ3 3.68Å; I229-W447 HydrophobicContact CG2-CB 3.72Å; L257-W447 PolarHBondContact N-O 3.41Å; L257-W447 VanDerWaalsContact N-O 3.07Å; Y444-W447 PolarHBondContact O-N 2.71Å; G445-W447 VanDerWaalsContact C-N 3.25Å; G445-W447 PolarHBondContact O-N 2.93Å |
| 448 | L | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 174.9 | 179.6 | -57.4 | -177.7 | 0 | 0 | 0 | 111.4 | I229 H255 L257 G445 K452 P462 F463 | I229-L448 HydrophobicContact CD1-CD2 3.91Å; I229-L448 HydrophobicContact CG1-CD2 4.02Å; H255-L448 CarbonylContact O-C 3.53Å; H255-L448 VanDerWaalsContact O-CA 3.28Å; H255-L448 WeakPolarHBondContact O-CA 3.4Å; H255-L448 VanDerWaalsContact O-CB 3.27Å; H255-L448 WeakPolarHBondContact O-CB 3.43Å; H255-L448 WeakPolarHBondContact O-CD2 3.36Å; L257-L448 WeakPolarHBondContact CA-O 3.07Å; L257-L448 WeakPolarHBondContact CD1-O 3.09Å; L257-L448 VanDerWaalsContact N-C 3.29Å; G445-L448 WeakPolarHBondContact O-CB 3.43Å; G445-L448 PolarHBondContact O-N 3.31Å; L448-K452 HydrophobicContact CB-CB 3.62Å; L448-K452 HydrophobicContact CD1-CB 3.9Å; L448-K452 HydrophobicContact CG-CB 4.4Å; L448-P462 HydrophobicContact CD1-CB 3.45Å; L448-P462 VanDerWaalsContact CD1-CB 3.45Å; L448-P462 HydrophobicContact CD1-CG 3.88Å; L448-F463 HydrophobicContact CD1-CD2 4.44Å; L448-F463 HydrophobicContact CD1-CE2 3.74Å; L448-F463 HydrophobicContact CD2-CE2 4.11Å; L448-F463 HydrophobicContact CD2-CZ 4.38Å |
| 449 | N | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | trans | -63.9 | 160.8 | 172.8 | 76 | 43.6 | 0 | 0 | 0 | 111.7 | Y253 S254 H255 V256 V451 K452 E453 | Y253-N449 HydrophobicContact CE1-CB 4.04Å; Y253-N449 VanDerWaalsContact CE1-ND2 3.32Å; Y253-N449 WeakPolarHBondContact CE1-ND2 3.28Å; S254-N449 PolarHBondContact O-ND2 3.24Å; H255-N449 PolarHBondContact O-N 2.97Å; V256-N449 WeakPolarHBondContact O-CB 3.47Å; V256-N449 PolarHBondContact O-N 3.19Å; N449-V451 PolarHBondContact O-N 2.9Å; N449-V451 VanDerWaalsContact O-N 3.1Å; N449-V451 PolarHBondContact OD1-N 3.31Å; N449-K452 PolarHBondContact O-N 2.87Å; N449-K452 PolarHBondContact OD1-N 3.33Å; N449-E453 WeakPolarHBondContact O-CB 3.4Å; N449-E453 PolarHBondContact O-N 3.47Å | ||
| 450 | S | 94.1 | Very high | 92.7 | Very high | 68 Ų | 68 | 53 Ų | 53 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.4 | -29.4 | -176 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | S454 | S450-S454 VanDerWaalsContact O-CB 3.3Å; S450-S454 WeakPolarHBondContact O-CB 3.34Å; S450-S454 PolarHBondContact O-N 3.31Å |
| 451 | V | 93.5 | Very high | 92.5 | Very high | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.255 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -82.7 | -40.6 | -179.8 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | T391 N449 E453 S454 V455 | T391-V451 HydrophobicContact CG2-CB 3.71Å; T391-V451 HydrophobicContact CG2-CG1 3.62Å; T391-V451 HydrophobicContact CG2-CG2 4.1Å; N449-V451 PolarHBondContact O-N 2.9Å; N449-V451 VanDerWaalsContact O-N 3.1Å; N449-V451 PolarHBondContact OD1-N 3.31Å; V451-E453 VanDerWaalsContact C-N 3.35Å; V451-S454 WeakPolarHBondContact O-CB 3.33Å; V451-S454 PolarHBondContact O-N 3.37Å; V451-S454 VanDerWaalsContact O-N 3.14Å; V451-S454 PolarHBondContact O-OG 2.68Å; V451-V455 PolarHBondContact O-N 3.48Å |
| 452 | K | 93.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -41.9 | 169.8 | -75.9 | -80.5 | -179.5 | 172.9 | 0 | 111.4 | E319 L448 N449 P462 F463 | E319-K452 VanDerWaalsContact CD-NZ 3.27Å; E319-K452 IonicContact OE1-NZ 3.82Å; E319-K452 PolarHBondContact OE1-NZ 3.26Å; E319-K452 IonicContact OE2-NZ 2.86Å; E319-K452 PolarHBondContact OE2-NZ 3.48Å; L448-K452 HydrophobicContact CB-CB 3.62Å; L448-K452 HydrophobicContact CD1-CB 3.9Å; L448-K452 HydrophobicContact CG-CB 4.4Å; N449-K452 PolarHBondContact O-N 2.87Å; N449-K452 PolarHBondContact OD1-N 3.33Å; K452-P462 HydrophobicContact CB-CB 4.32Å; K452-P462 HydrophobicContact CD-CB 4.06Å; K452-P462 WeakPolarHBondContact CD-O 3.26Å; K452-P462 WeakPolarHBondContact CE-O 3.3Å; K452-P462 PolarHBondContact NZ-O 3.23Å; K452-F463 HydrophobicContact CD-CZ 4.5Å |
| 453 | E | 93.1 | Very high | 92.5 | Very high | 32 Ų | 32 | 51 Ų | 51 | 15% | 0.15 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 170.1 | -174.4 | -145 | 126.5 | 0 | 0 | 110.8 | N449 V451 V455 L456 Y457 R866 | N449-E453 WeakPolarHBondContact O-CB 3.4Å; N449-E453 PolarHBondContact O-N 3.47Å; V451-E453 VanDerWaalsContact C-N 3.35Å; E453-V455 PolarHBondContact O-N 2.6Å; E453-V455 VanDerWaalsContact O-N 3.1Å; E453-L456 VanDerWaalsContact O-CB 3.27Å; E453-L456 WeakPolarHBondContact O-CB 3.5Å; E453-L456 WeakPolarHBondContact O-CG 3.43Å; E453-L456 PolarHBondContact O-N 2.67Å; E453-Y457 HydrophobicContact CG-CE2 4.35Å; E453-Y457 VanDerWaalsContact OE1-CE2 3.26Å; E453-Y457 WeakPolarHBondContact OE1-CE2 3.41Å; E453-Y457 PolarHBondContact OE1-OH 3.48Å; E453-R866 IonicContact OE1-CZ 2.79Å; E453-R866 VanDerWaalsContact OE1-CZ 3.25Å; E453-R866 IonicContact OE1-NH1 3.45Å; E453-R866 PolarHBondContact OE1-NH1 3.06Å; E453-R866 IonicContact OE1-NH2 3.29Å; E453-R866 PolarHBondContact OE1-NH2 3Å; E453-R866 IonicContact OE2-NH1 3.89Å |
| 454 | S | 92.4 | Very high | 92.3 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.8 | -29.7 | -174.4 | 79.2 | 0 | 0 | 0 | 0 | 114 | S450 V451 L456 Y457 | S450-S454 VanDerWaalsContact O-CB 3.3Å; S450-S454 WeakPolarHBondContact O-CB 3.34Å; S450-S454 PolarHBondContact O-N 3.31Å; V451-S454 WeakPolarHBondContact O-CB 3.33Å; V451-S454 PolarHBondContact O-N 3.37Å; V451-S454 VanDerWaalsContact O-N 3.14Å; V451-S454 PolarHBondContact O-OG 2.68Å; S454-L456 VanDerWaalsContact C-N 3.25Å; S454-L456 PolarHBondContact O-N 2.91Å; S454-Y457 PolarHBondContact O-N 3.31Å |
| 455 | V | 91.3 | Very high | 92.1 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -31 | 178.1 | 176 | 0 | 0 | 0 | 0 | 111.6 | V451 E453 Y457 N458 D460 | V451-V455 PolarHBondContact O-N 3.48Å; E453-V455 PolarHBondContact O-N 2.6Å; E453-V455 VanDerWaalsContact O-N 3.1Å; V455-Y457 VanDerWaalsContact C-N 3.27Å; V455-Y457 PolarHBondContact O-N 3.01Å; V455-N458 PolarHBondContact O-N 3.06Å; V455-N458 VanDerWaalsContact O-N 3.1Å; V455-D460 HydrophobicContact CG1-CB 3.36Å; V455-D460 PolarHBondContact O-N 2.98Å |
| 456 | L | 88.7 | Confident | 91.9 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -31.4 | 177.8 | -61.8 | 172.5 | 0 | 0 | 0 | 113 | E453 S454 N458 A459 P462 | E453-L456 VanDerWaalsContact O-CB 3.27Å; E453-L456 WeakPolarHBondContact O-CB 3.5Å; E453-L456 WeakPolarHBondContact O-CG 3.43Å; E453-L456 PolarHBondContact O-N 2.67Å; S454-L456 VanDerWaalsContact C-N 3.25Å; S454-L456 PolarHBondContact O-N 2.91Å; L456-N458 PolarHBondContact O-N 3.38Å; L456-A459 WeakPolarHBondContact O-CA 3.48Å; L456-A459 PolarHBondContact O-N 2.93Å; L456-P462 HydrophobicContact CD2-CG 3.67Å; L456-P462 HydrophobicContact CG-CG 4.07Å |
| 457 | Y | 88.9 | Confident | 91.8 | Very high | 148 Ų | 148 | 54.6 Ų | 54.6 | 58% | 0.58 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.9 | 178.7 | -62.3 | -69.4 | 0 | 0 | 0 | 113 | E453 S454 V455 A459 R866 | E453-Y457 HydrophobicContact CG-CE2 4.35Å; E453-Y457 VanDerWaalsContact OE1-CE2 3.26Å; E453-Y457 WeakPolarHBondContact OE1-CE2 3.41Å; E453-Y457 PolarHBondContact OE1-OH 3.48Å; S454-Y457 PolarHBondContact O-N 3.31Å; V455-Y457 VanDerWaalsContact C-N 3.27Å; V455-Y457 PolarHBondContact O-N 3.01Å; Y457-A459 VanDerWaalsContact C-N 3.32Å; Y457-R866 VanDerWaalsContact CE2-NH2 3.31Å; Y457-R866 VanDerWaalsContact CZ-NH2 3.27Å; Y457-R866 VanDerWaalsContact OH-CZ 3.26Å; Y457-R866 PolarHBondContact OH-NH2 3.16Å |
| 458 | N | 89.7 | Confident | 91.5 | Very high | 120 Ų | 120 | 54 Ų | 54 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 1.5 | 170.9 | -57.8 | -38 | 0 | 0 | 0 | 112.6 | V455 L456 D460 | V455-N458 PolarHBondContact O-N 3.06Å; V455-N458 VanDerWaalsContact O-N 3.1Å; L456-N458 PolarHBondContact O-N 3.38Å; N458-D460 PolarHBondContact O-N 3.39Å |
| 459 | A | 87.8 | Confident | 91.2 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 79% | 0.785 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 18.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115 | L456 Y457 | L456-A459 WeakPolarHBondContact O-CA 3.48Å; L456-A459 PolarHBondContact O-N 2.93Å; Y457-A459 VanDerWaalsContact C-N 3.32Å |
| 460 | D | 90 | Very high | 90.8 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | trans | -87.2 | 159.5 | 173.2 | -81.5 | -47.2 | 0 | 0 | 0 | 111.5 | V455 N458 | V455-D460 HydrophobicContact CG1-CB 3.36Å; V455-D460 PolarHBondContact O-N 2.98Å; N458-D460 PolarHBondContact O-N 3.39Å | ||
| 461 | A | 91.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -85.1 | 132.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F463 | A461-F463 PolarHBondContact O-N 3.11Å; A461-F463 VanDerWaalsContact O-N 3.13Å | ||
| 462 | P | 93.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -57.6 | -28.8 | -179.4 | -27.6 | 35.3 | 0 | 0 | 0 | 114.9 | N442 L448 K452 L456 | N442-P462 WeakPolarHBondContact OD1-CD 3.45Å; L448-P462 HydrophobicContact CD1-CB 3.45Å; L448-P462 VanDerWaalsContact CD1-CB 3.45Å; L448-P462 HydrophobicContact CD1-CG 3.88Å; K452-P462 HydrophobicContact CB-CB 4.32Å; K452-P462 HydrophobicContact CD-CB 4.06Å; K452-P462 WeakPolarHBondContact CD-O 3.26Å; K452-P462 WeakPolarHBondContact CE-O 3.3Å; K452-P462 PolarHBondContact NZ-O 3.23Å; L456-P462 HydrophobicContact CD2-CG 3.67Å; L456-P462 HydrophobicContact CG-CG 4.07Å |
| 463 | F | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -120.2 | 126.7 | 172.5 | -59.4 | -93.3 | 0 | 0 | 0 | 110.9 | H255 F315 E319 S441 N442 L448 K452 A461 F465 | H255-F463 HydrophobicContact CB-CE1 3.88Å; H255-F463 HydrophobicContact CB-CZ 3.59Å; H255-F463 AromaticContact CD2-CZ 3.65Å; H255-F463 AromaticContact CG-CZ 3.7Å; F315-F463 HydrophobicContact CB-CD1 4.37Å; F315-F463 HydrophobicContact CB-CE1 3.73Å; F315-F463 HydrophobicContact CB-CZ 4.17Å; E319-F463 WeakPolarHBondContact OE1-CD1 3.29Å; S441-F463 WeakPolarHBondContact O-CD2 3.35Å; S441-F463 VanDerWaalsContact O-CE2 3.23Å; S441-F463 WeakPolarHBondContact O-CE2 3.49Å; N442-F463 PolarHBondContact ND2-O 2.94Å; N442-F463 VanDerWaalsContact ND2-O 3.09Å; N442-F463 PolarHBondContact OD1-N 2.83Å; N442-F463 PolarHBondContact OD1-O 3.06Å; L448-F463 HydrophobicContact CD1-CD2 4.44Å; L448-F463 HydrophobicContact CD1-CE2 3.74Å; L448-F463 HydrophobicContact CD2-CE2 4.11Å; L448-F463 HydrophobicContact CD2-CZ 4.38Å; K452-F463 HydrophobicContact CD-CZ 4.5Å; A461-F463 PolarHBondContact O-N 3.11Å; A461-F463 VanDerWaalsContact O-N 3.13Å; F463-F465 HydrophobicContact CB-CD1 4.3Å; F463-F465 HydrophobicContact CB-CD2 3.38Å; F463-F465 HydrophobicContact CB-CE1 4.28Å; F463-F465 HydrophobicContact CB-CE2 3.37Å; F463-F465 HydrophobicContact CB-CG 3.87Å; F463-F465 HydrophobicContact CB-CZ 3.83Å; F463-F465 HydrophobicContact CD1-CD2 4.42Å; F463-F465 HydrophobicContact CD1-CE1 4.29Å; F463-F465 AromaticContact CD1-CE2 3.52Å; F463-F465 HydrophobicContact CD1-CE2 3.52Å; F463-F465 AromaticContact CD1-CZ 3.43Å; F463-F465 HydrophobicContact CD1-CZ 3.43Å; F463-F465 VanDerWaalsContact CD1-CZ 3.43Å; F463-F465 HydrophobicContact CD2-CE2 4.26Å; F463-F465 HydrophobicContact CE1-CE2 4.33Å; F463-F465 HydrophobicContact CE1-CZ 4.21Å; F463-F465 HydrophobicContact CG-CD2 4Å; F463-F465 AromaticContact CG-CE2 3.47Å; F463-F465 HydrophobicContact CG-CE2 3.47Å; F463-F465 VanDerWaalsContact CG-CE2 3.47Å; F463-F465 AromaticContact CG-CZ 3.86Å; F463-F465 HydrophobicContact CG-CZ 3.86Å; F463-F465 PolarHBondContact O-N 3.18Å |
| 464 | I | 90.8 | Very high | 89.6 | Confident | 90 Ų | 90 | 64.7 Ų | 64.7 | 46% | 0.462 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 11.3 | -178.6 | 56.8 | 161.8 | 0 | 0 | 0 | 114.5 | Q466 S467 L468 | I464-Q466 PolarHBondContact O-N 2.96Å; I464-S467 WeakPolarHBondContact O-CB 3.38Å; I464-S467 PolarHBondContact O-N 2.76Å; I464-L468 HydrophobicContact CD1-CD1 3.93Å; I464-L468 HydrophobicContact CD1-CD2 4.41Å; I464-L468 HydrophobicContact CD1-CG 4.19Å; I464-L468 HydrophobicContact CG1-CD1 3.76Å; I464-L468 HydrophobicContact CG1-CG 4.26Å; I464-L468 WeakPolarHBondContact O-CG 3.47Å; I464-L468 PolarHBondContact O-N 2.8Å |
| 465 | F | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 0% | 0.004 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -51.5 | -39.6 | -178.9 | -58 | -34.4 | 0 | 0 | 0 | 113.2 | F315 L318 E319 L438 F463 L468 L469 L474 | F315-F465 HydrophobicContact CB-CE2 4.33Å; F315-F465 HydrophobicContact CB-CZ 3.99Å; F315-F465 AromaticContact CD1-CE2 3.75Å; F315-F465 HydrophobicContact CD1-CE2 3.75Å; F315-F465 AromaticContact CD1-CZ 3.99Å; F315-F465 HydrophobicContact CD1-CZ 3.99Å; F315-F465 HydrophobicContact CE1-CE2 4.46Å; F315-F465 HydrophobicContact CG-CE2 4.28Å; F315-F465 HydrophobicContact CG-CZ 4.37Å; L318-F465 HydrophobicContact CB-CE1 3.93Å; L318-F465 HydrophobicContact CB-CZ 4.47Å; L318-F465 HydrophobicContact CD1-CE1 4.12Å; L318-F465 HydrophobicContact CD1-CZ 4.31Å; E319-F465 HydrophobicContact CG-CE1 4.06Å; L438-F465 HydrophobicContact CB-CD2 4.46Å; L438-F465 HydrophobicContact CD2-CB 4.25Å; L438-F465 HydrophobicContact CD2-CD1 4.39Å; L438-F465 HydrophobicContact CD2-CD2 3.5Å; L438-F465 VanDerWaalsContact CD2-CD2 3.5Å; L438-F465 HydrophobicContact CD2-CE2 3.86Å; L438-F465 HydrophobicContact CD2-CG 3.81Å; L438-F465 HydrophobicContact CD2-CZ 4.46Å; F463-F465 HydrophobicContact CB-CD1 4.3Å; F463-F465 HydrophobicContact CB-CD2 3.38Å; F463-F465 HydrophobicContact CB-CE1 4.28Å; F463-F465 HydrophobicContact CB-CE2 3.37Å; F463-F465 HydrophobicContact CB-CG 3.87Å; F463-F465 HydrophobicContact CB-CZ 3.83Å; F463-F465 HydrophobicContact CD1-CD2 4.42Å; F463-F465 HydrophobicContact CD1-CE1 4.29Å; F463-F465 AromaticContact CD1-CE2 3.52Å; F463-F465 HydrophobicContact CD1-CE2 3.52Å; F463-F465 AromaticContact CD1-CZ 3.43Å; F463-F465 HydrophobicContact CD1-CZ 3.43Å; F463-F465 VanDerWaalsContact CD1-CZ 3.43Å; F463-F465 HydrophobicContact CD2-CE2 4.26Å; F463-F465 HydrophobicContact CE1-CE2 4.33Å; F463-F465 HydrophobicContact CE1-CZ 4.21Å; F463-F465 HydrophobicContact CG-CD2 4Å; F463-F465 AromaticContact CG-CE2 3.47Å; F463-F465 HydrophobicContact CG-CE2 3.47Å; F463-F465 VanDerWaalsContact CG-CE2 3.47Å; F463-F465 AromaticContact CG-CZ 3.86Å; F463-F465 HydrophobicContact CG-CZ 3.86Å; F463-F465 PolarHBondContact O-N 3.18Å; F465-L468 HydrophobicContact CD1-CD1 4.31Å; F465-L468 PolarHBondContact O-N 3.18Å; F465-L469 WeakPolarHBondContact O-CB 3.26Å; F465-L469 VanDerWaalsContact O-CG 3.25Å; F465-L469 WeakPolarHBondContact O-CG 3.37Å; F465-L469 PolarHBondContact O-N 2.98Å; F465-L474 HydrophobicContact CB-CD2 4.42Å; F465-L474 HydrophobicContact CD1-CD2 4.4Å |
| 466 | Q | 87.5 | Confident | 89.6 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 178.8 | -178 | 65.3 | -12 | 0 | 0 | 112.1 | I464 L468 L469 Q470 | I464-Q466 PolarHBondContact O-N 2.96Å; Q466-L468 VanDerWaalsContact C-N 3.34Å; Q466-L469 PolarHBondContact O-N 3.18Å; Q466-Q470 VanDerWaalsContact O-CG 3.29Å; Q466-Q470 WeakPolarHBondContact O-CG 3.11Å; Q466-Q470 PolarHBondContact O-N 3.44Å |
| 467 | S | 88.6 | Confident | 89.7 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 175.3 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | I464 Q470 C471 | I464-S467 WeakPolarHBondContact O-CB 3.38Å; I464-S467 PolarHBondContact O-N 2.76Å; S467-Q470 PolarHBondContact O-N 3.44Å; S467-C471 PolarHBondContact O-N 3.41Å; S467-C471 PolarHBondContact O-SG 3.26Å |
| 468 | L | 90 | Very high | 89.6 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.4 | -36 | 176.3 | -68 | 163.7 | 0 | 0 | 0 | 112.9 | I322 I464 F465 Q466 G472 K473 L474 | I322-L468 HydrophobicContact CD1-CD1 3.37Å; I322-L468 HydrophobicContact CD1-CD2 3.98Å; I322-L468 HydrophobicContact CD1-CG 4.29Å; I464-L468 HydrophobicContact CD1-CD1 3.93Å; I464-L468 HydrophobicContact CD1-CD2 4.41Å; I464-L468 HydrophobicContact CD1-CG 4.19Å; I464-L468 HydrophobicContact CG1-CD1 3.76Å; I464-L468 HydrophobicContact CG1-CG 4.26Å; I464-L468 WeakPolarHBondContact O-CG 3.47Å; I464-L468 PolarHBondContact O-N 2.8Å; F465-L468 HydrophobicContact CD1-CD1 4.31Å; F465-L468 PolarHBondContact O-N 3.18Å; Q466-L468 VanDerWaalsContact C-N 3.34Å; L468-G472 PolarHBondContact O-N 3.09Å; L468-K473 HydrophobicContact CD2-CB 3.91Å; L468-K473 HydrophobicContact CD2-CD 4.04Å; L468-K473 PolarHBondContact O-N 3.47Å; L468-L474 HydrophobicContact CB-CB 3.75Å; L468-L474 HydrophobicContact CB-CD2 4.46Å; L468-L474 PolarHBondContact O-N 2.59Å |
| 469 | L | 89.9 | Confident | 89.2 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 171.8 | -73.3 | 164.2 | 0 | 0 | 0 | 111.3 | L438 F465 Q466 G472 L474 A476 | L438-L469 HydrophobicContact CD1-CD1 4.36Å; F465-L469 WeakPolarHBondContact O-CB 3.26Å; F465-L469 VanDerWaalsContact O-CG 3.25Å; F465-L469 WeakPolarHBondContact O-CG 3.37Å; F465-L469 PolarHBondContact O-N 2.98Å; Q466-L469 PolarHBondContact O-N 3.18Å; L469-G472 PolarHBondContact O-N 3.18Å; L469-L474 HydrophobicContact CD2-CB 4.46Å; L469-L474 HydrophobicContact CD2-CD2 4.38Å; L469-L474 HydrophobicContact CD2-CG 4.1Å; L469-L474 HydrophobicContact CG-CD2 4.25Å; L469-L474 HydrophobicContact CG-CG 4.39Å; L469-A476 HydrophobicContact CD2-CB 3.72Å |
| 470 | Q | 87.9 | Confident | 88.6 | Confident | 146 Ų | 146 | 50 Ų | 50 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.1 | -39.1 | 178.7 | -73.5 | 173.9 | 14.9 | 0 | 0 | 113.1 | Q466 S467 G472 | Q466-Q470 VanDerWaalsContact O-CG 3.29Å; Q466-Q470 WeakPolarHBondContact O-CG 3.11Å; Q466-Q470 PolarHBondContact O-N 3.44Å; S467-Q470 PolarHBondContact O-N 3.44Å; Q470-G472 VanDerWaalsContact C-N 3.32Å |
| 471 | C | 85.7 | Confident | 87.5 | Confident | 86 Ų | 86 | 48.2 Ų | 48.2 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.1 | 177.2 | 75.8 | 0 | 0 | 0 | 0 | 114.1 | S467 K473 | S467-C471 PolarHBondContact O-N 3.41Å; S467-C471 PolarHBondContact O-SG 3.26Å; C471-K473 VanDerWaalsContact C-N 3.28Å; C471-K473 PolarHBondContact O-N 3.45Å |
| 472 | G | 82.7 | Confident | 86 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 42% | 0.423 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 10.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L468 L469 Q470 L474 | L468-G472 PolarHBondContact O-N 3.09Å; L469-G472 PolarHBondContact O-N 3.18Å; Q470-G472 VanDerWaalsContact C-N 3.32Å; G472-L474 VanDerWaalsContact C-N 3.31Å |
| 473 | K | 87.5 | Confident | 83.6 | Confident | 72 Ų | 72 | 49.7 Ų | 49.7 | 31% | 0.313 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -66.2 | -36.7 | 169.1 | -83.3 | -160.3 | -179.4 | -167.1 | 0 | 111.3 | D326 I427 L468 C471 | D326-K473 IonicContact OD1-NZ 2.68Å; D326-K473 PolarHBondContact OD1-NZ 2.76Å; D326-K473 IonicContact OD2-NZ 2.67Å; D326-K473 PolarHBondContact OD2-NZ 2.85Å; I427-K473 PolarHBondContact N-O 3.15Å; L468-K473 HydrophobicContact CD2-CB 3.91Å; L468-K473 HydrophobicContact CD2-CD 4.04Å; L468-K473 PolarHBondContact O-N 3.47Å; C471-K473 VanDerWaalsContact C-N 3.28Å; C471-K473 PolarHBondContact O-N 3.45Å |
| 474 | L | 91.9 | Very high | 80.8 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.6 | 174.8 | -178.9 | 61.4 | 0 | 0 | 0 | 109.5 | L318 I427 F429 L438 F465 L468 L469 G472 | L318-L474 HydrophobicContact CD2-CD1 4.1Å; I427-L474 HydrophobicContact CB-CD1 4.17Å; I427-L474 HydrophobicContact CG2-CD1 3.88Å; I427-L474 CarbonylContact O-C 3.57Å; I427-L474 WeakPolarHBondContact O-CA 3.49Å; F429-L474 HydrophobicContact CB-CD1 4.24Å; L438-L474 HydrophobicContact CD1-CD2 4.29Å; F465-L474 HydrophobicContact CB-CD2 4.42Å; F465-L474 HydrophobicContact CD1-CD2 4.4Å; L468-L474 HydrophobicContact CB-CB 3.75Å; L468-L474 HydrophobicContact CB-CD2 4.46Å; L468-L474 PolarHBondContact O-N 2.59Å; L469-L474 HydrophobicContact CD2-CB 4.46Å; L469-L474 HydrophobicContact CD2-CD2 4.38Å; L469-L474 HydrophobicContact CD2-CG 4.1Å; L469-L474 HydrophobicContact CG-CD2 4.25Å; L469-L474 HydrophobicContact CG-CG 4.39Å; G472-L474 VanDerWaalsContact C-N 3.31Å |
| 475 | V | 91.5 | Very high | 78.1 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 101.5 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | I427 F428 F429 L477 | I427-V475 PolarHBondContact O-N 2.97Å; F428-V475 WeakPolarHBondContact CA-O 3.42Å; F428-V475 HydrophobicContact CD1-CB 3.7Å; F428-V475 HydrophobicContact CD1-CG1 3.83Å; F428-V475 HydrophobicContact CD1-CG2 4.47Å; F428-V475 HydrophobicContact CE1-CB 3.87Å; F428-V475 HydrophobicContact CE1-CG1 3.81Å; F428-V475 HydrophobicContact CE1-CG2 4.23Å; F428-V475 HydrophobicContact CG-CB 4.45Å; F429-V475 PolarHBondContact N-O 2.76Å; V475-L477 HydrophobicContact CG1-CD2 4.11Å; V475-L477 HydrophobicContact CG1-CG 4.21Å |
| 476 | A | 92.2 | Very high | 75.3 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 129.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F429 V434 L438 L469 | F429-A476 WeakPolarHBondContact O-CA 3.23Å; V434-A476 HydrophobicContact CG1-CB 3.9Å; V434-A476 HydrophobicContact CG2-CB 3.76Å; L438-A476 HydrophobicContact CD1-CB 4.33Å; L469-A476 HydrophobicContact CD2-CB 3.72Å |
| 477 | L | 90.2 | Very high | 72.4 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.6 | 177.6 | -61.8 | 174.9 | 0 | 0 | 0 | 109.8 | F428 F429 I430 S431 V475 S479 | F428-L477 HydrophobicContact CD1-CD1 3.89Å; F428-L477 HydrophobicContact CE1-CD1 4.39Å; F429-L477 PolarHBondContact O-N 3.38Å; I430-L477 WeakPolarHBondContact CA-O 3.48Å; I430-L477 HydrophobicContact CD1-CD1 4.23Å; I430-L477 HydrophobicContact CG1-CB 4.34Å; I430-L477 HydrophobicContact CG1-CD1 4.35Å; I430-L477 HydrophobicContact CG2-CB 4.48Å; S431-L477 PolarHBondContact N-O 2.69Å; S431-L477 VanDerWaalsContact N-O 3.16Å; V475-L477 HydrophobicContact CG1-CD2 4.11Å; V475-L477 HydrophobicContact CG1-CG 4.21Å; L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 3.16Å |
| 478 | K | 88 | Confident | 69.6 | Low | 104 Ų | 104 | 69.1 Ų | 69.1 | 45% | 0.452 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -70.8 | -28.4 | 177.5 | -68.1 | -170.2 | 175.3 | -168.5 | 0 | 113.5 | S431 N432 D482 | S431-K478 CarbonylContact C-O 3.57Å; S431-K478 VanDerWaalsContact C-O 3.3Å; S431-K478 WeakPolarHBondContact O-CA 3.41Å; N432-K478 WeakPolarHBondContact CA-O 3.24Å; N432-K478 PolarHBondContact N-O 2.94Å; N432-K478 VanDerWaalsContact N-O 3.15Å; N432-K478 PolarHBondContact OD1-O 3.34Å; K478-D482 PolarHBondContact N-OD2 2.64Å |
| 479 | S | 82 | Confident | 66.7 | Low | 25 Ų | 25 | 75.4 Ų | 75.4 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -155.9 | 161.6 | -176.7 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | L477 Y481 D482 | L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 3.16Å; S479-Y481 PolarHBondContact O-N 2.93Å; S479-Y481 VanDerWaalsContact OG-CD2 3.31Å; S479-Y481 WeakPolarHBondContact OG-CD2 3.46Å; S479-Y481 PolarHBondContact OG-N 2.68Å; S479-D482 PolarHBondContact O-N 3.07Å; S479-D482 VanDerWaalsContact O-N 3.09Å |
| 480 | L | 75.2 | Confident | 63.6 | Low | 21 Ų | 21 | 80.4 Ų | 80.4 | 11% | 0.11 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -18.8 | 169.2 | -63.7 | 174.8 | 0 | 0 | 0 | 112.8 | I430 S506 P587 H590 L591 | I430-L480 HydrophobicContact CD1-CD2 4Å; I430-L480 HydrophobicContact CG2-CD2 4.28Å; L480-S506 WeakPolarHBondContact O-CB 3.23Å; L480-S506 PolarHBondContact O-OG 2.71Å; L480-P587 HydrophobicContact CD1-CB 4.08Å; L480-P587 HydrophobicContact CD2-CB 4.04Å; L480-P587 HydrophobicContact CG-CB 3.88Å; L480-H590 HydrophobicContact CD1-CB 3.67Å; L480-L591 HydrophobicContact CD2-CD1 4.11Å; L480-L591 HydrophobicContact CD2-CD2 3.98Å; L480-L591 HydrophobicContact CD2-CG 4.01Å |
| 481 | Y | 65.3 | Low | 60.7 | Low | 64 Ų | 64 | 78 Ų | 78 | 25% | 0.251 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -6.9 | 179.7 | -50.4 | -68 | 0 | 0 | 0 | 114.5 | M53 S54 S479 C483 | M53-Y481 HydrophobicContact CB-CE1 4.25Å; S54-Y481 PolarHBondContact N-OH 2.93Å; S479-Y481 PolarHBondContact O-N 2.93Å; S479-Y481 VanDerWaalsContact OG-CD2 3.31Å; S479-Y481 WeakPolarHBondContact OG-CD2 3.46Å; S479-Y481 PolarHBondContact OG-N 2.68Å; Y481-C483 PolarHBondContact O-N 2.85Å |
| 482 | D | 61.1 | Low | 57.7 | Low | 36 Ų | 36 | 82.2 Ų | 82.2 | 19% | 0.193 | 45% | 0.45 | C | S | . | . | trans | -70.4 | 127.7 | -174.7 | -164.4 | -15.6 | 0 | 0 | 0 | 111.6 | K478 S479 S484 P507 | K478-D482 PolarHBondContact N-OD2 2.64Å; S479-D482 PolarHBondContact O-N 3.07Å; S479-D482 VanDerWaalsContact O-N 3.09Å; D482-S484 VanDerWaalsContact OD1-CB 3.31Å; D482-S484 WeakPolarHBondContact OD1-CB 3.45Å; D482-S484 PolarHBondContact OD1-N 3.31Å; D482-S484 PolarHBondContact OD1-OG 3.05Å; D482-P507 WeakPolarHBondContact O-CD 3.35Å | ||
| 483 | C | 42.1 | Very low | 55.1 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | trans | -117.9 | 45.4 | -170.9 | -151.4 | 0 | 0 | 0 | 0 | 112.4 | Y481 T505 | Y481-C483 PolarHBondContact O-N 2.85Å; C483-T505 PolarHBondContact SG-O 2.87Å | ||
| 484 | S | 35.5 | Very low | 52.1 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 43% | 0.434 | 49% | 0.49 | S | S | . | . | trans | -125.4 | 115.2 | -174.4 | -46 | 0 | 0 | 0 | 0 | 108.8 | D482 | D482-S484 VanDerWaalsContact OD1-CB 3.31Å; D482-S484 WeakPolarHBondContact OD1-CB 3.45Å; D482-S484 PolarHBondContact OD1-N 3.31Å; D482-S484 PolarHBondContact OD1-OG 3.05Å | ||
| 485 | S | 34.6 | Very low | 49.1 | Very low | 101 Ų | 101 | 94.1 Ų | 94.1 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | S | Bend | -162.4 | 17.4 | 66.2 | -69 | 0 | 0 | 0 | 0 | 116 | R487 | S485-R487 PolarHBondContact O-N 3.11Š| |
| 486 | S | 31.5 | Very low | 46 | Very low | 129 Ų | 129 | 98.7 Ų | 98.7 | 90% | 0.902 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 7.1 | -178.2 | -51.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 487 | R | 27.5 | Very low | 42.9 | Very low | 184 Ų | 184 | 105.9 Ų | 105.9 | 69% | 0.694 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -7.8 | -175.4 | -110.6 | -177.3 | -70 | -153.9 | -0.5 | 115.7 | S485 L489 | S485-R487 PolarHBondContact O-N 3.11Å; R487-L489 VanDerWaalsContact C-N 3.32Å; R487-L489 PolarHBondContact O-N 2.93Å |
| 488 | K | 29.1 | Very low | 39.7 | Very low | 203 Ų | 203 | 114.8 Ų | 114.8 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 3.6 | -173.7 | -103.4 | -173 | 176.6 | -176.2 | 0 | 116.4 | ||
| 489 | L | 29 | Very low | 36.7 | Very low | 142 Ų | 142 | 120.3 Ų | 120.3 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 3.4 | 176.3 | -77.3 | 166.9 | 0 | 0 | 0 | 113.9 | R487 I546 | R487-L489 VanDerWaalsContact C-N 3.32Å; R487-L489 PolarHBondContact O-N 2.93Å; L489-I546 HydrophobicContact CD1-CD1 4.43Å |
| 490 | L | 25 | Very low | 34 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -143.6 | 60.6 | -172.2 | -71.6 | 172.1 | 0 | 0 | 0 | 112.9 | ||
| 491 | S | 27.3 | Very low | 31.6 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -161.4 | 48.8 | 167.7 | 49.8 | 0 | 0 | 0 | 0 | 116.5 | S493 | S491-S493 VanDerWaalsContact C-N 3.28Å; S491-S493 PolarHBondContact O-N 3.25Å | ||
| 492 | D | 23.3 | Very low | 29.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | trans | -84.3 | 74.8 | 155.8 | -101 | -26.5 | 0 | 0 | 0 | 110 | ||||
| 493 | S | 26.8 | Very low | 28.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -168.6 | 141.7 | 161.5 | -86.5 | 0 | 0 | 0 | 0 | 111.9 | S491 | S491-S493 VanDerWaalsContact C-N 3.28Å; S491-S493 PolarHBondContact O-N 3.25Å |
| 494 | S | 25.9 | Very low | 27.3 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 136.6 | -172 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 495 | T | 28.1 | Very low | 27 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | -175.1 | 151.9 | 108.4 | 24.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 496 | V | 27.2 | Very low | 26.8 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | trans | -108 | 127 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 497 | N | 25.7 | Very low | 26.9 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 72% | 0.715 | S | S | * | * | trans | -150.4 | 162.8 | 155.2 | -143.8 | -15.7 | 0 | 0 | 0 | 112 | ||||
| 498 | R | 24 | Very low | 27.3 | Very low | 197 Ų | 197 | 127.6 Ų | 127.6 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | trans | -108.7 | 162.4 | -166.4 | -57.7 | 179 | 178.8 | 153.5 | -3.2 | 113.7 | ||||
| 499 | Y | 24.8 | Very low | 27.6 | Very low | 219 Ų | 219 | 118.7 Ų | 118.7 | 86% | 0.859 | 65% | 0.653 | S | S | * | * | trans | 57 | 98 | 159.9 | -58.6 | -64.4 | 0 | 0 | 0 | 118.2 | ||||
| 500 | S | 25.4 | Very low | 27.7 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | trans | -143.3 | 138.5 | 134.1 | -170.3 | 0 | 0 | 0 | 0 | 110 | H502 | S500-H502 PolarHBondContact O-N 2.96Å; S500-H502 PolarHBondContact OG-CD2 2.77Å; S500-H502 PolarHBondContact OG-NE2 2.87Å | ||
| 501 | S | 23.9 | Very low | 27.9 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | trans | -90.9 | 85.8 | 179.5 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 502 | H | 26.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 114 Ų | 114 | 70% | 0.699 | 64% | 0.636 | S | S | * | * | trans | -110.9 | 140.9 | 169.5 | -67.7 | -67.6 | 0 | 0 | 0 | 110.9 | S500 L504 | S500-H502 PolarHBondContact O-N 2.96Å; S500-H502 PolarHBondContact OG-CD2 2.77Å; S500-H502 PolarHBondContact OG-NE2 2.87Å; H502-L504 PolarHBondContact O-N 2.86Å | ||
| 503 | I | 26.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 109 Ų | 109 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | trans | -62.5 | 121.9 | -175.7 | -61.1 | 165.3 | 0 | 0 | 0 | 109 | T505 | I503-T505 HydrophobicContact CG2-CG2 4.25Š| ||
| 504 | L | 25.2 | Very low | 28.1 | Very low | 145 Ų | 145 | 109.9 Ų | 109.9 | 76% | 0.759 | 62% | 0.622 | S | S | * | * | trans | -83.8 | 121.8 | 176.4 | -68.3 | 168.7 | 0 | 0 | 0 | 109.2 | H502 | H502-L504 PolarHBondContact O-N 2.86Š| ||
| 505 | T | 29.8 | Very low | 28.1 | Very low | 54 Ų | 54 | 110.2 Ų | 110.2 | 33% | 0.331 | 62% | 0.624 | S | S | . | * | trans | -113.6 | 154 | 176.1 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | P55 C483 I503 L509 | P55-T505 HydrophobicContact CG-CG2 3.94Å; C483-T505 PolarHBondContact SG-O 2.87Å; I503-T505 HydrophobicContact CG2-CG2 4.25Å; T505-L509 VanDerWaalsContact CB-O 3.29Å; T505-L509 WeakPolarHBondContact CB-O 3.37Å; T505-L509 PolarHBondContact OG1-O 2.88Å | ||
| 506 | S | 30.2 | Very low | 28 | Very low | 6 Ų | 6 | 109 Ų | 109 | 4% | 0.042 | 62% | 0.617 | C | S | . | * | trans | -70.3 | 166.9 | -164.3 | -28.8 | 0 | 0 | 0 | 0 | 114.3 | L480 L508 L509 | L480-S506 WeakPolarHBondContact O-CB 3.23Å; L480-S506 PolarHBondContact O-OG 2.71Å; S506-L508 PolarHBondContact O-N 2.92Å; S506-L508 VanDerWaalsContact O-N 3.09Å; S506-L509 CarbonylContact O-C 3.57Å; S506-L509 WeakPolarHBondContact O-CA 3.48Å; S506-L509 PolarHBondContact O-N 3.32Å | ||
| 507 | P | 34.2 | Very low | 28 | Very low | 64 Ų | 64 | 107.9 Ų | 107.9 | 42% | 0.416 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -16.5 | 169 | -22.2 | 34.9 | 0 | 0 | 0 | 113.3 | D482 L509 | D482-P507 WeakPolarHBondContact O-CD 3.35Å; P507-L509 VanDerWaalsContact C-N 3.26Å |
| 508 | L | 34.9 | Very low | 28.1 | Very low | 35 Ų | 35 | 105.5 Ų | 105.5 | 18% | 0.183 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 1.4 | 169.5 | -57.4 | 168.2 | 0 | 0 | 0 | 112.9 | S506 I568 P570 | S506-L508 PolarHBondContact O-N 2.92Å; S506-L508 VanDerWaalsContact O-N 3.09Å; L508-I568 VanDerWaalsContact C-CD1 3.41Å; L508-I568 WeakPolarHBondContact O-CB 3.43Å; L508-I568 WeakPolarHBondContact O-CD1 3.37Å; L508-I568 WeakPolarHBondContact O-CG1 3.26Å; L508-I568 PolarHBondContact O-N 3.4Å; L508-P570 HydrophobicContact CD2-CG 4.05Å |
| 509 | L | 35.8 | Very low | 28.3 | Very low | 17 Ų | 17 | 102 Ų | 102 | 9% | 0.089 | 62% | 0.618 | C | S | . | * | trans | -168.1 | 96 | -170.2 | -81.6 | 166.9 | 0 | 0 | 0 | 115.1 | P55 T505 S506 P507 | P55-L509 HydrophobicContact CB-CD1 3.82Å; P55-L509 HydrophobicContact CB-CD2 4.1Å; P55-L509 HydrophobicContact CG-CD1 3.94Å; P55-L509 WeakPolarHBondContact O-CD1 3.48Å; T505-L509 VanDerWaalsContact CB-O 3.29Å; T505-L509 WeakPolarHBondContact CB-O 3.37Å; T505-L509 PolarHBondContact OG1-O 2.88Å; S506-L509 CarbonylContact O-C 3.57Å; S506-L509 WeakPolarHBondContact O-CA 3.48Å; S506-L509 PolarHBondContact O-N 3.32Å; P507-L509 VanDerWaalsContact C-N 3.26Å | ||
| 510 | L | 32.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 95.5 Ų | 95.5 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | cis | 79.6 | 20.4 | -25.3 | -102.8 | 165.4 | 0 | 0 | 0 | 123.4 | I568 | L510-I568 HydrophobicContact CB-CD1 3.45Å; L510-I568 VanDerWaalsContact CB-CD1 3.45Å; L510-I568 WeakPolarHBondContact O-CD1 3.24Å | ||
| 511 | G | 28.9 | Very low | 28.4 | Very low | 46 Ų | 46 | 94.2 Ų | 94.2 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | trans | -60.1 | 134.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G513 | G511-G513 PolarHBondContact O-N 3.45Å; G511-G513 VanDerWaalsContact O-N 3.15Å | ||
| 512 | T | 27.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 99 Ų | 99 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | trans | -69.6 | 112.8 | -173.8 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | N514 | T512-N514 PolarHBondContact O-N 2.79Š| ||
| 513 | G | 27 | Very low | 28.5 | Very low | 71 Ų | 71 | 101 Ų | 101 | 73% | 0.732 | 63% | 0.626 | S | S | * | * | trans | -71.3 | 84.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G511 S515 | G511-G513 PolarHBondContact O-N 3.45Å; G511-G513 VanDerWaalsContact O-N 3.15Å; G513-S515 PolarHBondContact O-N 2.97Å | ||
| 514 | N | 26.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 102.1 Ų | 102.1 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | trans | -70.8 | 94 | 165.8 | -111.6 | 6.3 | 0 | 0 | 0 | 109.7 | T512 T516 | T512-N514 PolarHBondContact O-N 2.79Å; N514-T516 PolarHBondContact O-N 2.75Å | ||
| 515 | S | 25.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 99.6 Ų | 99.6 | 79% | 0.79 | 63% | 0.628 | S | S | * | * | trans | -76.1 | 60.4 | 175.9 | 40.8 | 0 | 0 | 0 | 0 | 111.8 | G513 S517 | G513-S515 PolarHBondContact O-N 2.97Å; S515-S517 VanDerWaalsContact C-N 3.25Å; S515-S517 PolarHBondContact O-N 2.77Å | ||
| 516 | T | 25.7 | Very low | 28.5 | Very low | 115 Ų | 115 | 103.6 Ų | 103.6 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -81.6 | 68.7 | 174.2 | 56 | 0 | 0 | 0 | 0 | 111.3 | N514 S518 | N514-T516 PolarHBondContact O-N 2.75Å; T516-S518 PolarHBondContact O-N 3.33Å; T516-S518 VanDerWaalsContact O-N 3.11Å | ||
| 517 | S | 27.1 | Very low | 28.4 | Very low | 117 Ų | 117 | 108.6 Ų | 108.6 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -74.5 | 90.9 | 169.4 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | S515 | S515-S517 VanDerWaalsContact C-N 3.25Å; S515-S517 PolarHBondContact O-N 2.77Å | ||
| 518 | S | 28.9 | Very low | 28.2 | Very low | 111 Ų | 111 | 109 Ų | 109 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -81.9 | 128 | 178.1 | 43.5 | 0 | 0 | 0 | 0 | 112.4 | T516 | T516-S518 PolarHBondContact O-N 3.33Å; T516-S518 VanDerWaalsContact O-N 3.11Å | ||
| 519 | S | 27.7 | Very low | 28 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | 60.2 | 77.6 | 160.3 | -174.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 520 | G | 28.3 | Very low | 27.4 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -115.7 | -15.4 | 176 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 521 | G | 24.9 | Very low | 27.3 | Very low | 63 Ų | 63 | 120.6 Ų | 120.6 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | 85 | 151.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 522 | Y | 27.2 | Very low | 27.2 | Very low | 220 Ų | 220 | 123.6 Ų | 123.6 | 86% | 0.863 | 80% | 0.8 | S | S | * | * | trans | 76.3 | 138.8 | 168.3 | -51 | -75.7 | 0 | 0 | 0 | 119.7 | ||||
| 523 | F | 24.6 | Very low | 27.2 | Very low | 192 Ų | 192 | 125.3 Ų | 125.3 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -21.5 | 153.7 | 172.2 | -64 | -100.4 | 0 | 0 | 0 | 118.2 | ||||
| 524 | E | 27.5 | Very low | 27.7 | Very low | 186 Ų | 186 | 126.9 Ų | 126.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | cis | -151.2 | 168.1 | 27.7 | -159.5 | 161.7 | -145.7 | 0 | 0 | 112.2 | ||||
| 525 | A | 23.6 | Very low | 27.6 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 124.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 526 | T | 30.6 | Very low | 27.7 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | trans | -154.4 | 146.4 | 165.3 | 46.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 527 | S | 27.8 | Very low | 27.7 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | cis | 170.8 | 125.3 | -24.6 | 46.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 528 | G | 29 | Very low | 27.6 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 96.6 | 154.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 529 | T | 31.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 128 Ų | 128 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | cis | -158 | 160.9 | -7.6 | 23.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 530 | N | 23.8 | Very low | 27.4 | Very low | 170 Ų | 170 | 129.3 Ų | 129.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -80 | 153.3 | -176.8 | -57.1 | -27.5 | 0 | 0 | 0 | 114.9 | ||||
| 531 | A | 30.2 | Very low | 27.5 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -157.8 | 161.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 532 | S | 27.4 | Very low | 27.5 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | -158.3 | 128.2 | -169.9 | 58.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 533 | N | 26.7 | Very low | 27.3 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | 58.4 | 173.4 | 152.1 | -76.3 | 2 | 0 | 0 | 0 | 119.2 | ||||
| 534 | P | 36.2 | Very low | 27.4 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | cis | -132.9 | 169 | -26.4 | 29.3 | -8.5 | 0 | 0 | 0 | 116 | ||||
| 535 | I | 25.3 | Very low | 27.2 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 33.5 | 123.2 | 140.8 | -54.2 | 164.8 | 0 | 0 | 0 | 120.9 | ||||
| 536 | S | 28.6 | Very low | 27.3 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -157.7 | 171.3 | 137.6 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 537 | T | 24.4 | Very low | 26.9 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -133 | 140.8 | -160.2 | 52.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 538 | S | 26.1 | Very low | 26.7 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -170.1 | 142 | 149.3 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 539 | S | 26.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | trans | 54.6 | 112.7 | 148.3 | 62.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 540 | D | 24.8 | Very low | 26 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | 57 | 100.2 | 120.9 | -46.1 | -25.6 | 0 | 0 | 0 | 120.5 | |||||
| 541 | N | 29.9 | Very low | 26.2 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -150.1 | 143.2 | 131.9 | -96.1 | -51.4 | 0 | 0 | 0 | 109.6 | ||||
| 542 | L | 24.6 | Very low | 25.9 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 115.8 | 164.3 | -100.7 | 69.2 | 0 | 0 | 0 | 108 | ||||
| 543 | D | 23.9 | Very low | 25.8 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -176.2 | 168.1 | 143 | -102.1 | -30.2 | 0 | 0 | 0 | 111.5 | ||||
| 544 | S | 26.8 | Very low | 25.8 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 67.5 | 64.4 | 171.7 | -57 | 0 | 0 | 0 | 0 | 117.5 | I546 | S544-I546 PolarHBondContact O-N 2.92Š| ||
| 545 | A | 22.7 | Very low | 25.4 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -74 | 60.3 | 164 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 546 | I | 25.3 | Very low | 25.5 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | trans | -82.7 | 117.4 | 174 | -65.4 | -178.8 | 0 | 0 | 0 | 109.7 | L489 S544 V548 | L489-I546 HydrophobicContact CD1-CD1 4.43Å; S544-I546 PolarHBondContact O-N 2.92Å; I546-V548 HydrophobicContact CG2-CG2 4.39Å; I546-V548 PolarHBondContact O-N 2.88Å | ||
| 547 | F | 23.3 | Very low | 25.3 | Very low | 186 Ų | 186 | 130.6 Ų | 130.6 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -76.6 | 79.9 | -178 | -130.1 | -80.3 | 0 | 0 | 0 | 111.4 | L549 | F547-L549 PolarHBondContact O-N 2.64Š| ||
| 548 | V | 23.8 | Very low | 25.4 | Very low | 100 Ų | 100 | 129 Ų | 129 | 61% | 0.606 | 77% | 0.772 | S | S | * | * | trans | -63.5 | 116.8 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | I546 N550 | I546-V548 HydrophobicContact CG2-CG2 4.39Å; I546-V548 PolarHBondContact O-N 2.88Å; V548-N550 HydrophobicContact CG1-CB 4.16Å; V548-N550 PolarHBondContact O-N 2.71Å | ||
| 549 | L | 23.1 | Very low | 25.3 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 58 | 174.9 | -80.7 | 167.9 | 0 | 0 | 0 | 112.6 | F547 S551 | F547-L549 PolarHBondContact O-N 2.64Å; L549-S551 PolarHBondContact O-N 3.25Å | ||
| 550 | N | 23.2 | Very low | 25.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -89.7 | 86.9 | 167.9 | -94.4 | -20.6 | 0 | 0 | 0 | 110 | V548 S552 | V548-N550 HydrophobicContact CG1-CB 4.16Å; V548-N550 PolarHBondContact O-N 2.71Å; N550-S552 VanDerWaalsContact C-N 3.32Å; N550-S552 PolarHBondContact O-N 2.72Å | ||
| 551 | S | 27.1 | Very low | 25.5 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -71.9 | 85.2 | 166.1 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | L549 S553 | L549-S551 PolarHBondContact O-N 3.25Å; S551-S553 PolarHBondContact O-N 3.01Å; S551-S553 VanDerWaalsContact O-N 3.11Å | ||
| 552 | S | 22.9 | Very low | 25.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 102.2 | 176.8 | 58 | 0 | 0 | 0 | 0 | 111 | N550 | N550-S552 VanDerWaalsContact C-N 3.32Å; N550-S552 PolarHBondContact O-N 2.72Å | ||
| 553 | S | 26.4 | Very low | 25.5 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -122.7 | 149.9 | 167.6 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | S551 | S551-S553 PolarHBondContact O-N 3.01Å; S551-S553 VanDerWaalsContact O-N 3.11Å | ||
| 554 | T | 26.1 | Very low | 25.5 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 76% | 0.759 | S | S | * | * | trans | -77 | 135.2 | -166.1 | 44.6 | 0 | 0 | 0 | 0 | 113 | N556 | T554-N556 PolarHBondContact O-N 3.35Š| ||
| 555 | P | 28.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -80.7 | 105.3 | 174.8 | 31.7 | -32.7 | 0 | 0 | 0 | 110.9 | ||||
| 556 | N | 26.9 | Very low | 26.1 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | -124 | 111.9 | 165.7 | -101 | -12.5 | 0 | 0 | 0 | 110 | T554 | T554-N556 PolarHBondContact O-N 3.35Š| ||
| 557 | T | 25.5 | Very low | 26.8 | Very low | 127 Ų | 127 | 119.9 Ų | 119.9 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | trans | 10.4 | 124.3 | 150.4 | 58.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 558 | S | 25.9 | Very low | 27.8 | Very low | 100 Ų | 100 | 113.8 Ų | 113.8 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | 177.6 | 150.6 | 54.2 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 559 | N | 24.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 111.3 Ų | 111.3 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | trans | 63.7 | 137.8 | 148 | -64 | 2.1 | 0 | 0 | 0 | 122.4 | ||||
| 560 | N | 25.7 | Very low | 31 | Very low | 147 Ų | 147 | 105.6 Ų | 105.6 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | trans | 65 | 98.1 | 152 | -59.3 | -0.1 | 0 | 0 | 0 | 119.5 | ||||
| 561 | N | 28.8 | Very low | 32.8 | Very low | 153 Ų | 153 | 106.5 Ų | 106.5 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | -158.5 | 139.1 | 125.8 | -103.3 | -18.9 | 0 | 0 | 0 | 111 | |||||
| 562 | P | 27.8 | Very low | 35.1 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 66% | 0.662 | 62% | 0.623 | S | S | * | * | trans | -97.7 | 167.2 | 177.3 | 38.5 | -34.9 | 0 | 0 | 0 | 113.5 | ||||
| 563 | N | 26.1 | Very low | 38.2 | Very low | 148 Ų | 148 | 98.1 Ų | 98.1 | 79% | 0.791 | 59% | 0.585 | S | S | * | * | trans | 74.7 | 84.7 | 158.8 | -54.2 | -20.4 | 0 | 0 | 0 | 119.5 | ||||
| 564 | I | 25.7 | Very low | 41.3 | Very low | 142 Ų | 142 | 93 Ų | 93 | 73% | 0.728 | 55% | 0.549 | S | S | * | . | -3.8 | 136.7 | 117.6 | -61.2 | 168.6 | 0 | 0 | 0 | 114.7 | |||||
| 565 | S | 31.8 | Very low | 44.6 | Very low | 71 Ų | 71 | 87 Ų | 87 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | cis | -167.6 | 136 | -18 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 566 | G | 30.3 | Very low | 47.8 | Very low | 40 Ų | 40 | 81.2 Ų | 81.2 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -117.6 | -177.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | I568 | G566-I568 PolarHBondContact O-N 3.07Š|
| 567 | G | 38.4 | Very low | 51 | Low | 27 Ų | 27 | 74.4 Ų | 74.4 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | trans | -49.2 | 124 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | W569 | G567-W569 VanDerWaalsContact C-N 3.27Å; G567-W569 PolarHBondContact O-N 2.69Å | ||
| 568 | I | 44.2 | Very low | 54.2 | Low | 59 Ų | 59 | 68.3 Ų | 68.3 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | trans | -62.7 | -38.2 | -171.7 | -44.7 | 155.8 | 0 | 0 | 0 | 111 | L508 L510 G566 | L508-I568 VanDerWaalsContact C-CD1 3.41Å; L508-I568 WeakPolarHBondContact O-CB 3.43Å; L508-I568 WeakPolarHBondContact O-CD1 3.37Å; L508-I568 WeakPolarHBondContact O-CG1 3.26Å; L508-I568 PolarHBondContact O-N 3.4Å; L510-I568 HydrophobicContact CB-CD1 3.45Å; L510-I568 VanDerWaalsContact CB-CD1 3.45Å; L510-I568 WeakPolarHBondContact O-CD1 3.24Å; G566-I568 PolarHBondContact O-N 3.07Å | ||
| 569 | W | 55.3 | Low | 57.3 | Low | 47 Ų | 47 | 63.6 Ų | 63.6 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | trans | 63.8 | 170.4 | -153.6 | -61.3 | 94.7 | 0 | 0 | 0 | 113.1 | G567 I576 L591 V594 L595 | G567-W569 VanDerWaalsContact C-N 3.27Å; G567-W569 PolarHBondContact O-N 2.69Å; W569-I576 HydrophobicContact CE3-CD1 4.34Å; W569-I576 HydrophobicContact CZ3-CD1 3.63Å; W569-L591 HydrophobicContact CH2-CD2 3.74Å; W569-L591 HydrophobicContact CZ3-CD2 3.81Å; W569-V594 HydrophobicContact CH2-CB 4.35Å; W569-V594 HydrophobicContact CH2-CG1 4.45Å; W569-V594 HydrophobicContact CZ2-CB 3.58Å; W569-V594 HydrophobicContact CZ2-CG1 3.36Å; W569-L595 HydrophobicContact CE3-CD2 4.48Å; W569-L595 HydrophobicContact CH2-CD1 4.4Å; W569-L595 HydrophobicContact CH2-CD2 3.43Å; W569-L595 VanDerWaalsContact CH2-CD2 3.43Å; W569-L595 HydrophobicContact CH2-CG 3.54Å; W569-L595 HydrophobicContact CZ2-CD2 3.49Å; W569-L595 VanDerWaalsContact CZ2-CD2 3.49Å; W569-L595 HydrophobicContact CZ2-CG 3.75Å; W569-L595 HydrophobicContact CZ3-CD2 3.96Å; W569-L595 HydrophobicContact CZ3-CG 4.41Å | ||
| 570 | P | 59.9 | Low | 60.3 | Low | 31 Ų | 31 | 56.8 Ų | 56.8 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | trans | -62.7 | 142.4 | 162.9 | -16.5 | 32.4 | 0 | 0 | 0 | 109.1 | F428 L508 S572 C574 | F428-P570 HydrophobicContact CE2-CB 4.47Å; F428-P570 HydrophobicContact CE2-CG 3.57Å; F428-P570 HydrophobicContact CZ-CG 3.77Å; L508-P570 HydrophobicContact CD2-CG 4.05Å; P570-S572 PolarHBondContact O-N 3.22Å; P570-C574 HydrophobicContact CG-CB 4.26Å | ||
| 571 | N | 59.6 | Low | 62.8 | Low | 160 Ų | 160 | 50.2 Ų | 50.2 | 86% | 0.856 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -69.7 | 20.5 | 178 | -66 | -39.1 | 0 | 0 | 0 | 113.9 | ||
| 572 | S | 76.6 | Confident | 65.2 | Low | 48 Ų | 48 | 43 Ų | 43 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -154.1 | 142.4 | -174.7 | 58 | 0 | 0 | 0 | 0 | 109 | P570 C574 | P570-S572 PolarHBondContact O-N 3.22Å; S572-C574 PolarHBondContact O-N 2.83Å |
| 573 | P | 87.9 | Confident | 67.9 | Low | 11 Ų | 11 | 38.2 Ų | 38.2 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | trans | -53.9 | 134.8 | 177 | 24.4 | -35.7 | 0 | 0 | 0 | 111.3 | L298 G302 L421 S425 | L298-P573 HydrophobicContact CD2-CB 3.93Å; G302-P573 WeakPolarHBondContact O-CB 3.26Å; L421-P573 HydrophobicContact CD1-CG 3.77Å; L421-P573 HydrophobicContact CD2-CG 4.02Å; L421-P573 HydrophobicContact CG-CG 3.76Å; S425-P573 WeakPolarHBondContact CA-O 3.27Å; S425-P573 WeakPolarHBondContact CB-O 3.49Å; S425-P573 PolarHBondContact OG-O 2.92Å | ||
| 574 | C | 92 | Very high | 70.6 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -131.6 | 157 | -176.7 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | N303 V304 P426 F428 P570 S572 | N303-C574 WeakPolarHBondContact CA-O 3.42Å; N303-C574 PolarHBondContact OD1-N 2.81Å; N303-C574 PolarHBondContact OD1-SG 2.95Å; V304-C574 PolarHBondContact N-O 2.93Å; P426-C574 HydrophobicContact CG-CB 3.91Å; P426-C574 WeakPolarHBondContact O-CA 3.46Å; P426-C574 WeakPolarHBondContact O-CB 3.46Å; F428-C574 HydrophobicContact CD2-CB 4.01Å; F428-C574 HydrophobicContact CE2-CB 3.85Å; P570-C574 HydrophobicContact CG-CB 4.26Å; S572-C574 PolarHBondContact O-N 2.83Å | ||
| 575 | L | 95.4 | Very high | 73.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.7 | 168.9 | 171 | 62.1 | 0 | 0 | 0 | 107.8 | V294 V304 V306 A321 P426 I427 F428 F577 | V294-L575 HydrophobicContact CG1-CD2 4.15Å; V294-L575 HydrophobicContact CG2-CD1 4.36Å; V304-L575 HydrophobicContact CB-CD1 3.7Å; V304-L575 HydrophobicContact CG1-CD1 3.63Å; V304-L575 CarbonylContact O-C 3.53Å; V304-L575 WeakPolarHBondContact O-CA 3.25Å; V306-L575 HydrophobicContact CG2-CD1 3.82Å; A321-L575 HydrophobicContact CB-CD2 3.71Å; P426-L575 PolarHBondContact O-N 2.6Å; I427-L575 CarbonylContact C-O 3.51Å; I427-L575 VanDerWaalsContact CA-O 3.29Å; I427-L575 WeakPolarHBondContact CA-O 3.35Å; I427-L575 HydrophobicContact CD1-CD2 4.22Å; I427-L575 HydrophobicContact CG1-CB 4.31Å; I427-L575 HydrophobicContact CG1-CD2 4.25Å; I427-L575 HydrophobicContact CG2-CD2 4.29Å; I427-L575 HydrophobicContact CG2-CG 4.28Å; F428-L575 PolarHBondContact N-O 3.1Å; L575-F577 HydrophobicContact CD1-CE2 4.28Å; L575-F577 HydrophobicContact CD1-CZ 4.45Å; L575-F577 HydrophobicContact CD2-CE2 3.62Å; L575-F577 HydrophobicContact CD2-CZ 4.04Å; L575-F577 HydrophobicContact CG-CD2 4.3Å; L575-F577 HydrophobicContact CG-CE2 3.81Å; L575-F577 HydrophobicContact CG-CZ 4.39Å |
| 576 | I | 95 | Very high | 75.7 | Confident | 5 Ų | 5 | 21.7 Ų | 21.7 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 114 | -176.9 | -51.2 | 177.3 | 0 | 0 | 0 | 108.6 | V304 L305 V306 F428 I430 W569 A578 L591 | V304-I576 PolarHBondContact O-N 2.89Å; L305-I576 CarbonylContact C-O 3.57Å; L305-I576 WeakPolarHBondContact CA-O 3.31Å; L305-I576 HydrophobicContact CD1-CB 4.21Å; L305-I576 HydrophobicContact CD1-CG2 4.15Å; V306-I576 PolarHBondContact N-O 2.86Å; F428-I576 HydrophobicContact CB-CB 4.47Å; F428-I576 HydrophobicContact CB-CG1 4.26Å; F428-I576 HydrophobicContact CB-CG2 4.15Å; F428-I576 HydrophobicContact CD2-CG1 4.25Å; F428-I576 WeakPolarHBondContact O-CA 3.19Å; I430-I576 HydrophobicContact CD1-CG2 3.84Å; I430-I576 HydrophobicContact CG1-CG2 4.2Å; W569-I576 HydrophobicContact CE3-CD1 4.34Å; W569-I576 HydrophobicContact CZ3-CD1 3.63Å; I576-A578 HydrophobicContact CG2-CB 4.38Å; I576-L591 HydrophobicContact CD1-CD2 4.27Å; I576-L591 HydrophobicContact CG2-CD1 3.94Å |
| 577 | F | 95.2 | Very high | 78.2 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.5 | 161.4 | -62.8 | -87.3 | 0 | 0 | 0 | 108.3 | F290 V306 I314 L317 L318 A321 I427 F428 F429 I430 L575 | F290-F577 HydrophobicContact CZ-CE1 4.25Å; F290-F577 HydrophobicContact CZ-CZ 4.12Å; V306-F577 HydrophobicContact CB-CD1 3.54Å; V306-F577 HydrophobicContact CB-CE1 3.81Å; V306-F577 HydrophobicContact CB-CG 4.36Å; V306-F577 HydrophobicContact CG1-CD1 3.7Å; V306-F577 HydrophobicContact CG1-CE1 3.77Å; V306-F577 HydrophobicContact CG2-CD1 4.13Å; V306-F577 HydrophobicContact CG2-CE1 3.94Å; V306-F577 WeakPolarHBondContact O-CA 3.4Å; I314-F577 HydrophobicContact CD1-CB 3.88Å; I314-F577 HydrophobicContact CD1-CD1 3.14Å; I314-F577 HydrophobicContact CD1-CD2 4.33Å; I314-F577 HydrophobicContact CD1-CE1 3.62Å; I314-F577 HydrophobicContact CD1-CG 3.54Å; I314-F577 HydrophobicContact CD1-CZ 4.38Å; L317-F577 HydrophobicContact CB-CE1 4.3Å; L318-F577 HydrophobicContact CD2-CD2 3.62Å; L318-F577 HydrophobicContact CD2-CE2 3.54Å; L318-F577 HydrophobicContact CD2-CG 4.48Å; L318-F577 HydrophobicContact CD2-CZ 4.36Å; L318-F577 HydrophobicContact CG-CD2 4.37Å; L318-F577 HydrophobicContact CG-CE2 4.18Å; A321-F577 HydrophobicContact CB-CZ 4.46Å; I427-F577 HydrophobicContact CG2-CD2 3.91Å; I427-F577 HydrophobicContact CG2-CE2 3.95Å; F428-F577 PolarHBondContact O-N 3.09Å; F429-F577 CarbonylContact C-O 3.5Å; F429-F577 WeakPolarHBondContact CA-O 3.46Å; F429-F577 HydrophobicContact CD2-CB 3.84Å; F429-F577 HydrophobicContact CE2-CB 4.38Å; F429-F577 HydrophobicContact CG-CB 4.35Å; I430-F577 PolarHBondContact N-O 3.32Å; L575-F577 HydrophobicContact CD1-CE2 4.28Å; L575-F577 HydrophobicContact CD1-CZ 4.45Å; L575-F577 HydrophobicContact CD2-CE2 3.62Å; L575-F577 HydrophobicContact CD2-CZ 4.04Å; L575-F577 HydrophobicContact CG-CD2 4.3Å; L575-F577 HydrophobicContact CG-CE2 3.81Å; L575-F577 HydrophobicContact CG-CZ 4.39Å |
| 578 | A | 93 | Very high | 80.6 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 139.8 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | L305 V306 P307 S308 I430 I576 P587 S588 L591 | L305-A578 HydrophobicContact CD1-CB 3.96Å; V306-A578 PolarHBondContact O-N 3.1Å; V306-A578 VanDerWaalsContact O-N 3.08Å; P307-A578 WeakPolarHBondContact CA-O 3.48Å; S308-A578 PolarHBondContact N-O 3.21Å; I430-A578 HydrophobicContact CB-CB 4.46Å; I430-A578 WeakPolarHBondContact O-CA 3.36Å; I576-A578 HydrophobicContact CG2-CB 4.38Å; A578-P587 HydrophobicContact CB-CB 4.35Å; A578-P587 HydrophobicContact CB-CG 4.21Å; A578-S588 WeakPolarHBondContact CB-OG 3.36Å; A578-S588 PolarHBondContact O-OG 3.28Å; A578-L591 HydrophobicContact CB-CD1 3.61Å |
| 579 | S | 90.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -69.5 | 151.7 | 177.8 | 67 | 0 | 0 | 0 | 0 | 113.1 | D147 S308 I430 P587 S588 | D147-S579 WeakPolarHBondContact OD2-CB 3.39Å; D147-S579 PolarHBondContact OD2-OG 2.9Å; S308-S579 WeakPolarHBondContact O-CA 3.29Å; I430-S579 PolarHBondContact O-N 3.15Å; S579-P587 WeakPolarHBondContact O-CD 3.35Å; S579-S588 WeakPolarHBondContact O-CB 3.14Å; S579-S588 PolarHBondContact O-N 2.97Å; S579-S588 PolarHBondContact O-OG 2.93Å | ||
| 580 | H | 87.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -150.2 | 152.1 | 157.7 | 62.8 | 81.3 | 0 | 0 | 0 | 107.3 | P307 S308 S582 E621 Y625 | P307-H580 VanDerWaalsContact C-CD2 3.46Å; P307-H580 VanDerWaalsContact C-NE2 3.27Å; P307-H580 WeakPolarHBondContact CB-CD2 3.41Å; S308-H580 PolarHBondContact N-CD2 3.46Å; S308-H580 PolarHBondContact N-NE2 2.79Å; H580-S582 PolarHBondContact ND1-N 3.29Å; H580-E621 IonicContact CE1-OE2 2.7Å; H580-E621 PolarHBondContact CE1-OE2 3.07Å; H580-E621 IonicContact NE2-OE2 2.78Å; H580-Y625 AromaticContact CE1-CE1 3.4Å; H580-Y625 WeakPolarHBondContact CE1-CE1 3.34Å; H580-Y625 AromaticContact CE1-CZ 3.59Å; H580-Y625 PolarHBondContact CE1-OH 3.37Å; H580-Y625 AromaticContact ND1-CE1 3.75Å; H580-Y625 AromaticContact NE2-CZ 3.87Å; H580-Y625 PolarHBondContact NE2-OH 2.8Å | ||
| 581 | P | 77.5 | Confident | 85.1 | Confident | 10 Ų | 10 | 13.6 Ų | 13.6 | 7% | 0.065 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -86 | -20.9 | 159.1 | -19.3 | 33.3 | 0 | 0 | 0 | 113.6 | L148 L585 | L148-P581 HydrophobicContact CB-CG 4.39Å; L148-P581 HydrophobicContact CD1-CB 3.78Å; L148-P581 HydrophobicContact CD1-CG 3.61Å; P581-L585 HydrophobicContact CB-CD2 3.91Å; P581-L585 HydrophobicContact CG-CD1 4.36Å; P581-L585 HydrophobicContact CG-CD2 3.67Å; P581-L585 HydrophobicContact CG-CG 3.99Å |
| 582 | S | 78.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.007 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -164.1 | 8.8 | -166.8 | 63.1 | 0 | 0 | 0 | 0 | 116.9 | H580 R584 L585 | H580-S582 PolarHBondContact ND1-N 3.29Å; S582-R584 PolarHBondContact O-N 2.92Å; S582-R584 VanDerWaalsContact O-N 3.17Å; S582-R584 PolarHBondContact OG-N 3.43Å; S582-L585 WeakPolarHBondContact OG-CD2 3.44Å |
| 583 | L | 85.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 5.5 Ų | 5.5 | 1% | 0.005 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 53.7 | 23.9 | -165.8 | -73.7 | 171.9 | 0 | 0 | 0 | 115.2 | P307 L619 Y625 I646 F650 | P307-L583 HydrophobicContact CB-CD2 3.68Å; P307-L583 HydrophobicContact CB-CG 4.48Å; P307-L583 HydrophobicContact CG-CD2 3.85Å; L583-L619 HydrophobicContact CD1-CD1 4.23Å; L583-L619 HydrophobicContact CD1-CD2 3.75Å; L583-Y625 HydrophobicContact CB-CE1 4.25Å; L583-Y625 HydrophobicContact CD1-CD1 4.01Å; L583-Y625 HydrophobicContact CD1-CE1 3.37Å; L583-Y625 HydrophobicContact CD1-CE2 4.23Å; L583-Y625 VanDerWaalsContact CD1-CZ 3.49Å; L583-Y625 HydrophobicContact CG-CD1 4.38Å; L583-Y625 HydrophobicContact CG-CE1 3.56Å; L583-I646 HydrophobicContact CD1-CG2 3.63Å; L583-F650 WeakPolarHBondContact O-CZ 3.25Å |
| 584 | R | 83.2 | Confident | 86.4 | Confident | 13 Ų | 13 | 5.7 Ų | 5.7 | 5% | 0.049 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -121.5 | -14.7 | 172.5 | -56.6 | -60.5 | 176.9 | -118.5 | 4.9 | 114.1 | L43 S44 F46 F86 S582 I646 | L43-R584 WeakPolarHBondContact O-CG 3.4Å; S44-R584 PolarHBondContact O-NE 3.2Å; S44-R584 PolarHBondContact O-NH2 2.86Å; F46-R584 VanDerWaalsContact O-CD 3.27Å; F46-R584 WeakPolarHBondContact O-CD 3.37Å; F46-R584 VanDerWaalsContact O-CG 3.27Å; F46-R584 WeakPolarHBondContact O-CG 3.31Å; F86-R584 HydrophobicContact CE1-CB 3.9Å; F86-R584 HydrophobicContact CZ-CB 3.63Å; S582-R584 PolarHBondContact O-N 2.92Å; S582-R584 VanDerWaalsContact O-N 3.17Å; S582-R584 PolarHBondContact OG-N 3.43Å; R584-I646 PolarHBondContact NH1-O 3.45Å; R584-I646 PolarHBondContact NH2-O 3.49Å |
| 585 | L | 81.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -140.9 | 170.2 | 166.2 | 73.9 | 174.4 | 0 | 0 | 0 | 110.5 | F86 E151 L152 L155 P581 S582 | F86-L585 HydrophobicContact CD2-CD1 4.18Å; F86-L585 HydrophobicContact CE1-CD2 4.39Å; F86-L585 HydrophobicContact CE2-CB 3.81Å; F86-L585 HydrophobicContact CE2-CD1 3.73Å; F86-L585 HydrophobicContact CE2-CD2 3.74Å; F86-L585 HydrophobicContact CE2-CG 3.96Å; F86-L585 HydrophobicContact CZ-CB 4.12Å; F86-L585 HydrophobicContact CZ-CD1 4.47Å; F86-L585 HydrophobicContact CZ-CD2 3.64Å; F86-L585 HydrophobicContact CZ-CG 4.28Å; E151-L585 HydrophobicContact CB-CD1 3.77Å; E151-L585 HydrophobicContact CB-CG 4.02Å; L152-L585 HydrophobicContact CD2-CD1 3.77Å; L152-L585 HydrophobicContact CG-CD1 3.92Å; L155-L585 HydrophobicContact CD1-CD1 4.45Å; P581-L585 HydrophobicContact CB-CD2 3.91Å; P581-L585 HydrophobicContact CG-CD1 4.36Å; P581-L585 HydrophobicContact CG-CD2 3.67Å; P581-L585 HydrophobicContact CG-CG 3.99Å; S582-L585 WeakPolarHBondContact OG-CD2 3.44Å |
| 586 | G | 81.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | 96.7 | 167.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E151 S588 V589 | E151-G586 WeakPolarHBondContact OE2-CA 3.43Å; G586-S588 PolarHBondContact O-N 3.35Å; G586-S588 VanDerWaalsContact O-N 3.11Å; G586-V589 PolarHBondContact O-N 3.25Å; G586-V589 VanDerWaalsContact O-N 3.1Å |
| 587 | P | 84.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 6 Ų | 6 | 3% | 0.032 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -55.3 | -32.2 | -177.1 | 20.7 | -33.2 | 0 | 0 | 0 | 113.4 | I430 L480 A578 S579 V589 H590 L591 | I430-P587 HydrophobicContact CG2-CB 3.88Å; I430-P587 HydrophobicContact CG2-CG 4.06Å; L480-P587 HydrophobicContact CD1-CB 4.08Å; L480-P587 HydrophobicContact CD2-CB 4.04Å; L480-P587 HydrophobicContact CG-CB 3.88Å; A578-P587 HydrophobicContact CB-CB 4.35Å; A578-P587 HydrophobicContact CB-CG 4.21Å; S579-P587 WeakPolarHBondContact O-CD 3.35Å; P587-V589 VanDerWaalsContact C-N 3.25Å; P587-V589 PolarHBondContact O-N 3.49Å; P587-H590 PolarHBondContact O-N 3.2Å; P587-L591 HydrophobicContact CB-CD1 4.38Å; P587-L591 WeakPolarHBondContact O-CD1 3.46Å; P587-L591 WeakPolarHBondContact O-CG 3.28Å; P587-L591 PolarHBondContact O-N 3.06Å; P587-L591 VanDerWaalsContact O-N 3.09Å |
| 588 | S | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.7 | -35.1 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | A578 S579 G586 T592 | A578-S588 WeakPolarHBondContact CB-OG 3.36Å; A578-S588 PolarHBondContact O-OG 3.28Å; S579-S588 WeakPolarHBondContact O-CB 3.14Å; S579-S588 PolarHBondContact O-N 2.97Å; S579-S588 PolarHBondContact O-OG 2.93Å; G586-S588 PolarHBondContact O-N 3.35Å; G586-S588 VanDerWaalsContact O-N 3.11Å; S588-T592 VanDerWaalsContact O-CB 3.26Å; S588-T592 WeakPolarHBondContact O-CB 3.45Å; S588-T592 PolarHBondContact O-N 3.03Å; S588-T592 PolarHBondContact O-OG1 3.24Å |
| 589 | V | 84.3 | Confident | 82.1 | Confident | 17 Ų | 17 | 11.2 Ų | 11.2 | 10% | 0.103 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.6 | -43.3 | -178 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | G586 P587 R593 F650 | G586-V589 PolarHBondContact O-N 3.25Å; G586-V589 VanDerWaalsContact O-N 3.1Å; P587-V589 VanDerWaalsContact C-N 3.25Å; P587-V589 PolarHBondContact O-N 3.49Å; V589-R593 PolarHBondContact O-N 2.91Å; V589-F650 HydrophobicContact CB-CE1 4.38Å; V589-F650 HydrophobicContact CB-CZ 4.44Å; V589-F650 HydrophobicContact CG1-CE1 3.81Å; V589-F650 HydrophobicContact CG1-CZ 4.12Å; V589-F650 HydrophobicContact CG2-CZ 4.37Å |
| 590 | H | 81.7 | Confident | 80.1 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68 | -50.5 | 177.8 | -57.8 | -73.4 | 0 | 0 | 0 | 110.7 | H50 L52 L480 P587 T592 R593 V594 | H50-H590 AromaticContact CD2-CE1 3.73Å; H50-H590 AromaticContact CD2-NE2 3.32Å; H50-H590 PolarHBondContact CD2-NE2 2.84Å; H50-H590 VanDerWaalsContact CD2-NE2 3.32Å; H50-H590 AromaticContact CE1-CE1 3.58Å; H50-H590 AromaticContact CE1-NE2 3.1Å; H50-H590 PolarHBondContact CE1-NE2 3.14Å; H50-H590 AromaticContact CG-CE1 3.5Å; H50-H590 VanDerWaalsContact CG-CE1 3.5Å; H50-H590 AromaticContact CG-NE2 3.56Å; H50-H590 AromaticContact ND1-CE1 3.37Å; H50-H590 PolarHBondContact ND1-CE1 3.23Å; H50-H590 AromaticContact ND1-NE2 3.39Å; H50-H590 PolarHBondContact ND1-NE2 3.16Å; H50-H590 AromaticContact NE2-CE1 3.75Å; H50-H590 AromaticContact NE2-NE2 2.99Å; H50-H590 PolarHBondContact NE2-NE2 3.16Å; L52-H590 WeakPolarHBondContact CD2-ND1 3.33Å; L480-H590 HydrophobicContact CD1-CB 3.67Å; P587-H590 PolarHBondContact O-N 3.2Å; H590-T592 VanDerWaalsContact C-N 3.27Å; H590-T592 PolarHBondContact O-N 3.02Å; H590-R593 PolarHBondContact O-N 3.39Å; H590-R593 VanDerWaalsContact O-N 3.08Å; H590-V594 WeakPolarHBondContact O-CG2 3.25Å; H590-V594 PolarHBondContact O-N 3.03Å |
| 591 | L | 87.1 | Confident | 78 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 179.7 | -66.6 | 163.8 | 0 | 0 | 0 | 111.5 | L305 I430 L480 W569 I576 A578 P587 V594 L595 | L305-L591 HydrophobicContact CD1-CB 3.94Å; L305-L591 HydrophobicContact CD1-CD1 3.79Å; L305-L591 HydrophobicContact CD1-CG 4.5Å; L305-L591 HydrophobicContact CD2-CB 3.73Å; L305-L591 HydrophobicContact CG-CB 4.48Å; I430-L591 HydrophobicContact CD1-CD1 4.29Å; L480-L591 HydrophobicContact CD2-CD1 4.11Å; L480-L591 HydrophobicContact CD2-CD2 3.98Å; L480-L591 HydrophobicContact CD2-CG 4.01Å; W569-L591 HydrophobicContact CH2-CD2 3.74Å; W569-L591 HydrophobicContact CZ3-CD2 3.81Å; I576-L591 HydrophobicContact CD1-CD2 4.27Å; I576-L591 HydrophobicContact CG2-CD1 3.94Å; A578-L591 HydrophobicContact CB-CD1 3.61Å; P587-L591 HydrophobicContact CB-CD1 4.38Å; P587-L591 WeakPolarHBondContact O-CD1 3.46Å; P587-L591 WeakPolarHBondContact O-CG 3.28Å; P587-L591 PolarHBondContact O-N 3.06Å; P587-L591 VanDerWaalsContact O-N 3.09Å; L591-V594 PolarHBondContact O-N 3.19Å; L591-L595 WeakPolarHBondContact O-CB 3.44Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.4Å; L591-L595 PolarHBondContact O-N 3.13Å |
| 592 | T | 87.8 | Confident | 75.9 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -50.8 | 173.6 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | L305 S588 H590 A596 I617 F650 L673 | L305-T592 WeakPolarHBondContact CD2-OG1 3.42Å; S588-T592 VanDerWaalsContact O-CB 3.26Å; S588-T592 WeakPolarHBondContact O-CB 3.45Å; S588-T592 PolarHBondContact O-N 3.03Å; S588-T592 PolarHBondContact O-OG1 3.24Å; H590-T592 VanDerWaalsContact C-N 3.27Å; H590-T592 PolarHBondContact O-N 3.02Å; T592-A596 VanDerWaalsContact O-CB 3.31Å; T592-A596 WeakPolarHBondContact O-CB 3.39Å; T592-A596 PolarHBondContact O-N 3.45Å; T592-A596 VanDerWaalsContact O-N 3.1Å; T592-I617 HydrophobicContact CG2-CD1 3.88Å; T592-F650 HydrophobicContact CG2-CB 4.25Å; T592-F650 HydrophobicContact CG2-CD1 3.44Å; T592-F650 VanDerWaalsContact CG2-CD1 3.44Å; T592-F650 HydrophobicContact CG2-CD2 4.24Å; T592-F650 HydrophobicContact CG2-CE1 3.66Å; T592-F650 HydrophobicContact CG2-CE2 4.43Å; T592-F650 HydrophobicContact CG2-CG 3.75Å; T592-F650 HydrophobicContact CG2-CZ 4.16Å; T592-L673 HydrophobicContact CG2-CD2 3.65Å |
| 593 | R | 82.1 | Confident | 73.5 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | -179.9 | -65.2 | 175.1 | 73.7 | 172.3 | -1.9 | 112.3 | L60 P61 V589 H590 Y597 F650 | L60-R593 HydrophobicContact CD1-CB 3.8Å; P61-R593 PolarHBondContact O-NH2 3.28Å; V589-R593 PolarHBondContact O-N 2.91Å; H590-R593 PolarHBondContact O-N 3.39Å; H590-R593 VanDerWaalsContact O-N 3.08Å; R593-Y597 WeakPolarHBondContact O-CB 3.41Å; R593-Y597 PolarHBondContact O-N 3.15Å; R593-F650 HydrophobicContact CG-CD1 3.84Å; R593-F650 HydrophobicContact CG-CE1 4.22Å |
| 594 | V | 80.7 | Confident | 70.9 | Confident | 15 Ų | 15 | 38 Ų | 38 | 9% | 0.091 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -39.7 | 179 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | C57 L60 W569 H590 L591 A596 G598 | C57-V594 WeakPolarHBondContact SG-CG2 3.36Å; L60-V594 HydrophobicContact CD1-CG2 3.86Å; W569-V594 HydrophobicContact CH2-CB 4.35Å; W569-V594 HydrophobicContact CH2-CG1 4.45Å; W569-V594 HydrophobicContact CZ2-CB 3.58Å; W569-V594 HydrophobicContact CZ2-CG1 3.36Å; H590-V594 WeakPolarHBondContact O-CG2 3.25Å; H590-V594 PolarHBondContact O-N 3.03Å; L591-V594 PolarHBondContact O-N 3.19Å; V594-A596 VanDerWaalsContact C-N 3.3Å; V594-A596 PolarHBondContact O-N 3.18Å; V594-G598 WeakPolarHBondContact O-CA 3.46Å; V594-G598 PolarHBondContact O-N 3.17Å |
| 595 | L | 85.5 | Confident | 68.4 | Low | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 175.2 | -71.4 | 175.8 | 0 | 0 | 0 | 112.3 | N303 L305 W569 L591 N615 I617 T676 | N303-L595 HydrophobicContact CB-CD2 3.88Å; L305-L595 HydrophobicContact CB-CD1 3.62Å; L305-L595 HydrophobicContact CD2-CD1 4.19Å; W569-L595 HydrophobicContact CE3-CD2 4.48Å; W569-L595 HydrophobicContact CH2-CD1 4.4Å; W569-L595 HydrophobicContact CH2-CD2 3.43Å; W569-L595 VanDerWaalsContact CH2-CD2 3.43Å; W569-L595 HydrophobicContact CH2-CG 3.54Å; W569-L595 HydrophobicContact CZ2-CD2 3.49Å; W569-L595 VanDerWaalsContact CZ2-CD2 3.49Å; W569-L595 HydrophobicContact CZ2-CG 3.75Å; W569-L595 HydrophobicContact CZ3-CD2 3.96Å; W569-L595 HydrophobicContact CZ3-CG 4.41Å; L591-L595 WeakPolarHBondContact O-CB 3.44Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.4Å; L591-L595 PolarHBondContact O-N 3.13Å; L595-N615 HydrophobicContact CB-CB 4.32Å; L595-N615 HydrophobicContact CD2-CB 4.14Å; L595-N615 PolarHBondContact O-ND2 3.48Å; L595-I617 HydrophobicContact CD1-CG1 4.44Å; L595-T676 PolarHBondContact O-OG1 3.08Å; L595-T676 VanDerWaalsContact O-OG1 3.14Å |
| 596 | A | 84.8 | Confident | 66 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.1 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T592 V594 L673 S674 T676 A677 | T592-A596 VanDerWaalsContact O-CB 3.31Å; T592-A596 WeakPolarHBondContact O-CB 3.39Å; T592-A596 PolarHBondContact O-N 3.45Å; T592-A596 VanDerWaalsContact O-N 3.1Å; V594-A596 VanDerWaalsContact C-N 3.3Å; V594-A596 PolarHBondContact O-N 3.18Å; A596-L673 HydrophobicContact CB-CD2 3.76Å; A596-L673 HydrophobicContact CB-CG 3.75Å; A596-S674 WeakPolarHBondContact CA-OG 3.33Å; A596-S674 WeakPolarHBondContact O-CB 3.45Å; A596-S674 PolarHBondContact O-OG 2.87Å; A596-T676 PolarHBondContact O-OG1 3.28Å; A596-T676 VanDerWaalsContact O-OG1 3.06Å; A596-A677 HydrophobicContact CB-CB 4.22Å |
| 597 | Y | 81.3 | Confident | 63.6 | Low | 6 Ų | 6 | 52.2 Ų | 52.2 | 2% | 0.024 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -133.3 | -5.4 | -162.2 | -55.5 | -49.8 | 0 | 0 | 0 | 115.8 | M63 R593 G599 L600 F650 Q652 L673 | M63-Y597 HydrophobicContact CE-CE2 3.82Å; M63-Y597 HydrophobicContact SD-CD2 4.29Å; M63-Y597 HydrophobicContact SD-CE2 3.92Å; R593-Y597 WeakPolarHBondContact O-CB 3.41Å; R593-Y597 PolarHBondContact O-N 3.15Å; Y597-G599 PolarHBondContact O-N 3.36Å; Y597-G599 VanDerWaalsContact O-N 3.12Å; Y597-L600 HydrophobicContact CD1-CD1 3.69Å; Y597-L600 HydrophobicContact CG-CD1 4.2Å; Y597-L600 WeakPolarHBondContact O-CB 3.41Å; Y597-L600 PolarHBondContact O-N 3Å; Y597-F650 VanDerWaalsContact CE2-O 3.3Å; Y597-F650 WeakPolarHBondContact CE2-O 3.49Å; Y597-F650 PolarHBondContact OH-O 3.36Å; Y597-Q652 HydrophobicContact CE1-CG 3.84Å; Y597-Q652 HydrophobicContact CE2-CG 4.35Å; Y597-L673 PolarHBondContact OH-O 3.15Å |
| 598 | G | 69.2 | Low | 61.1 | Low | 42 Ų | 42 | 63.6 Ų | 63.6 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V594 | V594-G598 WeakPolarHBondContact O-CA 3.46Å; V594-G598 PolarHBondContact O-N 3.17Å |
| 599 | G | 59.9 | Low | 58.5 | Low | 67 Ų | 67 | 71 Ų | 71 | 69% | 0.691 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y597 R601 | Y597-G599 PolarHBondContact O-N 3.36Å; Y597-G599 VanDerWaalsContact O-N 3.12Å; G599-R601 PolarHBondContact O-N 2.79Å |
| 600 | L | 49.3 | Very low | 56.6 | Low | 98 Ų | 98 | 75 Ų | 75 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | trans | -78.4 | 59.7 | -172.3 | -69.2 | -177 | 0 | 0 | 0 | 114.4 | Y597 | Y597-L600 HydrophobicContact CD1-CD1 3.69Å; Y597-L600 HydrophobicContact CG-CD1 4.2Å; Y597-L600 WeakPolarHBondContact O-CB 3.41Å; Y597-L600 PolarHBondContact O-N 3Å | ||
| 601 | R | 42.4 | Very low | 55.2 | Low | 201 Ų | 201 | 79.9 Ų | 79.9 | 76% | 0.758 | 52% | 0.521 | S | S | * | . | trans | -130.8 | 55.9 | 162.6 | -71.7 | -166.3 | 179.3 | -129.8 | 10.6 | 112 | D59 G599 G603 | D59-R601 IonicContact OD2-CZ 3.78Å; D59-R601 IonicContact OD2-NH2 2.71Å; D59-R601 PolarHBondContact OD2-NH2 2.88Å; G599-R601 PolarHBondContact O-N 2.79Å; R601-G603 PolarHBondContact O-N 3.3Å | ||
| 602 | S | 33.8 | Very low | 53.9 | Low | 130 Ų | 130 | 83.9 Ų | 83.9 | 91% | 0.909 | 55% | 0.547 | S | S | * | . | trans | -71.5 | 72.1 | 165.3 | -166.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 603 | G | 28.7 | Very low | 53.2 | Low | 79 Ų | 79 | 86.4 Ų | 86.4 | 81% | 0.814 | 57% | 0.565 | S | S | * | * | trans | -120.1 | 31 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R601 | R601-G603 PolarHBondContact O-N 3.3Š| ||
| 604 | G | 30.4 | Very low | 53.4 | Low | 68 Ų | 68 | 85.4 Ų | 85.4 | 70% | 0.701 | 56% | 0.562 | S | S | * | * | trans | -169.5 | 122 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S606 | G604-S606 PolarHBondContact O-N 3.22Š| ||
| 605 | S | 30.4 | Very low | 54 | Low | 126 Ų | 126 | 85.2 Ų | 85.2 | 88% | 0.881 | 56% | 0.56 | S | S | * | * | trans | -83.6 | 108.2 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 606 | S | 31.6 | Very low | 54.5 | Low | 110 Ų | 110 | 85 Ų | 85 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | trans | -164.7 | 132.8 | 156.3 | -83.9 | 0 | 0 | 0 | 0 | 109.9 | G604 | G604-S606 PolarHBondContact O-N 3.22Š| ||
| 607 | G | 31.5 | Very low | 55 | Low | 77 Ų | 77 | 85 Ų | 85 | 79% | 0.794 | 56% | 0.559 | S | S | * | * | trans | -85.9 | 137.6 | -161.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 608 | R | 31.2 | Very low | 55.6 | Low | 244 Ų | 244 | 84.7 Ų | 84.7 | 92% | 0.921 | 56% | 0.558 | S | S | * | * | -148.9 | 128.9 | 126.8 | -101 | 173.2 | 98.7 | 174.8 | 4.6 | 108.9 | S610 | R608-S610 PolarHBondContact O-N 3.16Å; R608-S610 VanDerWaalsContact O-N 3.16Å | |||
| 609 | T | 34.7 | Very low | 56.7 | Low | 154 Ų | 154 | 82.8 Ų | 82.8 | 95% | 0.945 | 54% | 0.537 | S | S | * | . | trans | -87.2 | 81 | -174.2 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 610 | S | 45 | Very low | 58 | Low | 101 Ų | 101 | 79.6 Ų | 79.6 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -103.3 | 124 | 153.2 | 50.7 | 0 | 0 | 0 | 0 | 107.8 | R608 | R608-S610 PolarHBondContact O-N 3.16Å; R608-S610 VanDerWaalsContact O-N 3.16Å |
| 611 | S | 52.3 | Low | 58.9 | Low | 109 Ų | 109 | 75.9 Ų | 75.9 | 76% | 0.762 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -58 | 138.3 | 169.3 | 47 | 0 | 0 | 0 | 0 | 109.5 | ||
| 612 | P | 59.1 | Low | 59.9 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 141.9 | 175.4 | 26.5 | -34.1 | 0 | 0 | 0 | 109.7 | H614 T676 | P612-H614 PolarHBondContact O-N 2.89Å; P612-T676 HydrophobicContact CB-CG2 3.98Å; P612-T676 HydrophobicContact CG-CG2 3.96Å |
| 613 | S | 73.5 | Confident | 61.3 | Low | 56 Ų | 56 | 60.7 Ų | 60.7 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 123.3 | 177.8 | 46.3 | 0 | 0 | 0 | 0 | 110.2 | G301 N615 | G301-S613 WeakPolarHBondContact O-CB 3.37Å; G301-S613 PolarHBondContact O-OG 3Å; S613-N615 PolarHBondContact O-ND2 3.43Å |
| 614 | H | 87.1 | Confident | 63 | Low | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.069 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 125.1 | -175.4 | -159.5 | 98.4 | 0 | 0 | 0 | 110.1 | G302 F336 H338 P612 S674 D675 T676 A677 | G302-H614 WeakPolarHBondContact CA-O 3.3Å; F336-H614 AromaticContact CD1-CD2 3.54Å; F336-H614 HydrophobicContact CD2-CB 4.02Å; F336-H614 AromaticContact CE1-CD2 3.54Å; F336-H614 HydrophobicContact CE2-CB 3.87Å; F336-H614 AromaticContact CG-CD2 3.86Å; F336-H614 HydrophobicContact CZ-CB 4.26Å; F336-H614 AromaticContact CZ-CD2 3.84Å; F336-H614 WeakPolarHBondContact CZ-O 3.41Å; H338-H614 AromaticContact CE1-CE1 3.56Å; H338-H614 AromaticContact CE1-CG 3.59Å; H338-H614 AromaticContact CE1-ND1 3.44Å; H338-H614 PolarHBondContact CE1-ND1 3.24Å; P612-H614 PolarHBondContact O-N 2.89Å; H614-S674 PolarHBondContact NE2-O 2.74Å; H614-D675 PolarHBondContact CE1-O 2.64Å; H614-D675 PolarHBondContact ND1-O 3.5Å; H614-D675 PolarHBondContact NE2-O 3.32Å; H614-T676 WeakPolarHBondContact CE1-CA 3.33Å; H614-T676 PolarHBondContact CE1-N 2.84Å; H614-T676 PolarHBondContact NE2-N 3.4Å; H614-A677 PolarHBondContact NE2-N 2.71Å |
| 615 | N | 92.3 | Very high | 64.7 | Low | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.059 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 156.5 | -172.8 | -53.2 | -76.6 | 0 | 0 | 0 | 111.3 | N303 L595 S613 T676 A677 T678 | N303-N615 WeakPolarHBondContact CB-OD1 3.31Å; N303-N615 PolarHBondContact N-OD1 2.98Å; N303-N615 PolarHBondContact ND2-OD1 3.01Å; N303-N615 VanDerWaalsContact O-CA 3.31Å; N303-N615 WeakPolarHBondContact O-CA 3.24Å; N303-N615 WeakPolarHBondContact O-CB 3.47Å; L595-N615 HydrophobicContact CB-CB 4.32Å; L595-N615 HydrophobicContact CD2-CB 4.14Å; L595-N615 PolarHBondContact O-ND2 3.48Å; S613-N615 PolarHBondContact O-ND2 3.43Å; N615-T676 WeakPolarHBondContact CB-O 3.21Å; N615-T676 PolarHBondContact N-O 3.37Å; N615-T676 PolarHBondContact ND2-O 3.46Å; N615-A677 WeakPolarHBondContact O-CA 3.32Å; N615-T678 PolarHBondContact O-N 2.83Å |
| 616 | S | 95.3 | Very high | 66.5 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.1 | 175.7 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | T297 N303 V304 L305 F336 T678 | T297-S616 WeakPolarHBondContact OG1-CB 3.47Å; T297-S616 PolarHBondContact OG1-OG 3.29Å; N303-S616 PolarHBondContact O-N 3.38Å; V304-S616 CarbonylContact C-O 3.26Å; V304-S616 VanDerWaalsContact CA-O 3.32Å; V304-S616 WeakPolarHBondContact CA-O 3.48Å; L305-S616 PolarHBondContact N-O 3.43Å; F336-S616 WeakPolarHBondContact CE1-OG 3.29Å; S616-T678 CarbonylContact C-O 3.57Å; S616-T678 WeakPolarHBondContact CA-O 3.26Å |
| 617 | I | 95.2 | Very high | 68.2 | Low | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.6 | 171.9 | -54.6 | 178.7 | 0 | 0 | 0 | 106.8 | L305 P307 T592 L595 L619 L673 T678 V679 Y680 | L305-I617 HydrophobicContact CB-CG1 4.28Å; L305-I617 HydrophobicContact CB-CG2 4.44Å; L305-I617 HydrophobicContact CD2-CG1 4.47Å; L305-I617 HydrophobicContact CD2-CG2 4.24Å; L305-I617 HydrophobicContact CG-CG2 4.43Å; L305-I617 CarbonylContact O-C 3.44Å; L305-I617 WeakPolarHBondContact O-CA 3.45Å; P307-I617 HydrophobicContact CG-CG2 4.27Å; T592-I617 HydrophobicContact CG2-CD1 3.88Å; L595-I617 HydrophobicContact CD1-CG1 4.44Å; I617-L619 HydrophobicContact CG2-CD2 4.18Å; I617-L673 HydrophobicContact CD1-CD2 3.83Å; I617-T678 PolarHBondContact N-O 2.61Å; I617-V679 HydrophobicContact CB-CG2 4.23Å; I617-V679 HydrophobicContact CD1-CG2 4.44Å; I617-V679 CarbonylContact O-C 3.58Å; I617-V679 VanDerWaalsContact O-CA 3.28Å; I617-V679 WeakPolarHBondContact O-CA 3.48Å; I617-Y680 PolarHBondContact O-N 2.76Å |
| 618 | I | 94.8 | Very high | 69.6 | Low | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 107.9 | -175.9 | -47.2 | 176 | 0 | 0 | 0 | 108.7 | F290 I293 V294 V304 L305 P307 I620 L682 | F290-I618 HydrophobicContact CD2-CD1 3.73Å; F290-I618 HydrophobicContact CD2-CG2 4.24Å; F290-I618 HydrophobicContact CE2-CD1 4.09Å; I293-I618 HydrophobicContact CB-CD1 3.99Å; I293-I618 HydrophobicContact CG2-CD1 3.64Å; I293-I618 HydrophobicContact CG2-CG1 4.01Å; V294-I618 HydrophobicContact CG2-CD1 4.04Å; V304-I618 HydrophobicContact CG1-CD1 3.86Å; V304-I618 HydrophobicContact CG1-CG1 4.2Å; L305-I618 PolarHBondContact O-N 3.3Å; P307-I618 VanDerWaalsContact CD-O 3.25Å; P307-I618 WeakPolarHBondContact CD-O 3.41Å; I618-I620 HydrophobicContact CG2-CG2 4.08Å; I618-I620 PolarHBondContact O-N 3.09Å; I618-L682 HydrophobicContact CG2-CB 4.27Å; I618-L682 HydrophobicContact CG2-CD1 3.92Å; I618-L682 HydrophobicContact CG2-CG 4.36Å |
| 619 | L | 91.4 | Very high | 70.9 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.2 | 171.3 | -52.1 | -168.5 | 0 | 0 | 0 | 108 | P307 L583 I617 Y625 L643 I646 I647 V679 Y680 W681 L682 | P307-L619 HydrophobicContact CG-CD2 3.95Å; L583-L619 HydrophobicContact CD1-CD1 4.23Å; L583-L619 HydrophobicContact CD1-CD2 3.75Å; I617-L619 HydrophobicContact CG2-CD2 4.18Å; L619-Y625 HydrophobicContact CB-CE2 4.09Å; L619-L643 HydrophobicContact CD1-CD1 4.23Å; L619-I646 HydrophobicContact CD1-CG2 3.86Å; L619-I647 HydrophobicContact CD1-CD1 4.24Å; L619-V679 HydrophobicContact CD1-CG1 4.06Å; L619-V679 HydrophobicContact CD2-CG1 4.31Å; L619-V679 HydrophobicContact CG-CG1 3.81Å; L619-Y680 PolarHBondContact N-O 3.17Å; L619-W681 HydrophobicContact CB-CB 4.39Å; L619-W681 HydrophobicContact CB-CG 4.36Å; L619-L682 PolarHBondContact O-N 2.8Å |
| 620 | I | 87.5 | Confident | 72.1 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -102.9 | -24.9 | -177.4 | 58.6 | 161.4 | 0 | 0 | 0 | 114 | V306 P307 L317 I618 L682 M684 | V306-I620 HydrophobicContact CG1-CD1 3.91Å; V306-I620 HydrophobicContact CG1-CG1 4.01Å; V306-I620 HydrophobicContact CG1-CG2 3.78Å; P307-I620 WeakPolarHBondContact O-CG1 3.31Å; L317-I620 HydrophobicContact CD1-CD1 3.5Å; L317-I620 VanDerWaalsContact CD1-CD1 3.5Å; L317-I620 HydrophobicContact CD1-CG2 4.49Å; I618-I620 HydrophobicContact CG2-CG2 4.08Å; I618-I620 PolarHBondContact O-N 3.09Å; I620-L682 WeakPolarHBondContact CA-O 3.41Å; I620-M684 HydrophobicContact CB-CE 4.44Å; I620-M684 HydrophobicContact CG2-CE 3.7Å; I620-M684 HydrophobicContact CG2-SD 4.18Å; I620-M684 PolarHBondContact O-N 3.25Å | ||
| 621 | E | 69.6 | Low | 72.5 | Confident | 19 Ų | 19 | 21.2 Ų | 21.2 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | trans | -88.2 | 154.2 | -178.7 | -73 | 164.7 | -173.4 | 0 | 0 | 111.7 | N309 H580 Y625 W681 | N309-E621 WeakPolarHBondContact CB-OE1 3.31Å; N309-E621 PolarHBondContact N-OE1 2.9Å; N309-E621 PolarHBondContact ND2-OE1 3.46Å; N309-E621 PolarHBondContact ND2-OE2 3.32Å; H580-E621 IonicContact CE1-OE2 2.7Å; H580-E621 PolarHBondContact CE1-OE2 3.07Å; H580-E621 IonicContact NE2-OE2 2.78Å; E621-Y625 HydrophobicContact CB-CE2 3.95Å; E621-Y625 WeakPolarHBondContact O-CD2 3.5Å; E621-Y625 VanDerWaalsContact O-CE2 3.22Å; E621-Y625 WeakPolarHBondContact O-CE2 3.4Å; E621-W681 PolarHBondContact O-NE1 2.6Å | ||
| 622 | S | 61.6 | Low | 72.3 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -115.8 | -57.7 | -179.9 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | D624 Y625 V626 | S622-D624 PolarHBondContact O-N 3.34Å; S622-Y625 PolarHBondContact O-N 3.33Å; S622-V626 WeakPolarHBondContact O-CG2 3.17Å; S622-V626 PolarHBondContact O-N 2.88Å |
| 623 | G | 63.6 | Low | 71.8 | Confident | 11 Ų | 11 | 19.9 Ų | 19.9 | 11% | 0.113 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -60.3 | -45.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y625 V626 | G623-Y625 PolarHBondContact O-N 3.06Å; G623-V626 PolarHBondContact O-N 3.4Å |
| 624 | D | 64.5 | Low | 70.4 | Confident | 14 Ų | 14 | 27.2 Ų | 27.2 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -70.8 | -4.3 | -173 | -58.9 | -35.4 | 0 | 0 | 0 | 113.8 | R113 N309 S622 | R113-D624 IonicContact CZ-OD1 2.79Å; R113-D624 IonicContact CZ-OD2 3.64Å; R113-D624 IonicContact NE-OD1 3.12Å; R113-D624 PolarHBondContact NE-OD1 2.98Å; R113-D624 IonicContact NE-OD2 3.56Å; R113-D624 IonicContact NH2-OD1 3.57Å; R113-D624 PolarHBondContact NH2-OD1 2.79Å; R113-D624 IonicContact NH2-OD2 2.89Å; R113-D624 PolarHBondContact NH2-OD2 3.37Å; N309-D624 PolarHBondContact ND2-OD2 2.98Å; S622-D624 PolarHBondContact O-N 3.34Å |
| 625 | Y | 65.8 | Low | 68.3 | Low | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -116.2 | -9.7 | 177.4 | -51.8 | -41.5 | 0 | 0 | 0 | 115.2 | H580 L583 L619 E621 S622 G623 P627 R645 I646 | H580-Y625 AromaticContact CE1-CE1 3.4Å; H580-Y625 WeakPolarHBondContact CE1-CE1 3.34Å; H580-Y625 AromaticContact CE1-CZ 3.59Å; H580-Y625 PolarHBondContact CE1-OH 3.37Å; H580-Y625 AromaticContact ND1-CE1 3.75Å; H580-Y625 AromaticContact NE2-CZ 3.87Å; H580-Y625 PolarHBondContact NE2-OH 2.8Å; L583-Y625 HydrophobicContact CB-CE1 4.25Å; L583-Y625 HydrophobicContact CD1-CD1 4.01Å; L583-Y625 HydrophobicContact CD1-CE1 3.37Å; L583-Y625 HydrophobicContact CD1-CE2 4.23Å; L583-Y625 VanDerWaalsContact CD1-CZ 3.49Å; L583-Y625 HydrophobicContact CG-CD1 4.38Å; L583-Y625 HydrophobicContact CG-CE1 3.56Å; L619-Y625 HydrophobicContact CB-CE2 4.09Å; E621-Y625 HydrophobicContact CB-CE2 3.95Å; E621-Y625 WeakPolarHBondContact O-CD2 3.5Å; E621-Y625 VanDerWaalsContact O-CE2 3.22Å; E621-Y625 WeakPolarHBondContact O-CE2 3.4Å; S622-Y625 PolarHBondContact O-N 3.33Å; G623-Y625 PolarHBondContact O-N 3.06Å; Y625-P627 WeakPolarHBondContact O-CD 3.46Å; Y625-R645 PolarHBondContact O-NH2 3.14Å; Y625-I646 HydrophobicContact CD2-CD1 4.26Å; Y625-I646 HydrophobicContact CG-CD1 4.14Å |
| 626 | V | 68.6 | Low | 66.2 | Low | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -120.1 | 101.1 | -168.8 | -180 | 0 | 0 | 0 | 0 | 110.9 | Y278 S622 G623 S628 H642 W681 | Y278-V626 HydrophobicContact CE1-CG1 4.22Å; Y278-V626 HydrophobicContact CE2-CB 4.48Å; Y278-V626 HydrophobicContact CE2-CG1 4.47Å; Y278-V626 WeakPolarHBondContact OH-CG1 3.22Å; S622-V626 WeakPolarHBondContact O-CG2 3.17Å; S622-V626 PolarHBondContact O-N 2.88Å; G623-V626 PolarHBondContact O-N 3.4Å; V626-S628 PolarHBondContact O-N 2.52Å; V626-H642 HydrophobicContact CG2-CB 4.25Å; V626-W681 HydrophobicContact CG2-CH2 3.98Å; V626-W681 HydrophobicContact CG2-CZ2 4.15Å |
| 627 | P | 66.6 | Low | 64.2 | Low | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -60.3 | 121 | 179.9 | -29.3 | 39.2 | 0 | 0 | 0 | 114.4 | S41 Y45 Y625 F629 E630 R645 | S41-P627 WeakPolarHBondContact OG-CA 3.37Å; Y45-P627 HydrophobicContact CD2-CG 4.37Å; Y45-P627 HydrophobicContact CE2-CB 3.92Å; Y45-P627 HydrophobicContact CE2-CG 3.49Å; Y45-P627 VanDerWaalsContact CE2-CG 3.49Å; Y625-P627 WeakPolarHBondContact O-CD 3.46Å; P627-F629 HydrophobicContact CB-CD1 3.89Å; P627-F629 HydrophobicContact CB-CE1 3.59Å; P627-F629 HydrophobicContact CB-CZ 4.31Å; P627-F629 PolarHBondContact O-N 2.95Å; P627-F629 VanDerWaalsContact O-N 3.08Å; P627-E630 PolarHBondContact O-N 3.08Å; P627-R645 VanDerWaalsContact CD-NH2 3.26Å | ||
| 628 | S | 61.2 | Low | 62.9 | Low | 8 Ų | 8 | 41.1 Ų | 41.1 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -45.6 | -40.7 | -178.4 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | D17 D39 V626 E630 W631 | D17-S628 WeakPolarHBondContact OD1-CB 3.5Å; D39-S628 PolarHBondContact OD2-OG 3.22Å; V626-S628 PolarHBondContact O-N 2.52Å; S628-E630 PolarHBondContact O-N 3.42Å; S628-W631 PolarHBondContact O-N 3.13Å |
| 629 | F | 60 | Low | 61.7 | Low | 27 Ų | 27 | 44.1 Ų | 44.1 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.3 | -21.5 | -176.4 | 72.1 | -92.7 | 0 | 0 | 0 | 114.7 | Y45 P175 Y178 L179 P627 W631 | Y45-F629 AromaticContact CE2-CE1 3.79Å; Y45-F629 HydrophobicContact CE2-CE1 3.79Å; Y45-F629 AromaticContact CE2-CZ 3.66Å; Y45-F629 HydrophobicContact CE2-CZ 3.66Å; Y45-F629 AromaticContact CZ-CZ 3.88Å; Y45-F629 WeakPolarHBondContact OH-CZ 3.37Å; P175-F629 HydrophobicContact CB-CE2 3.49Å; P175-F629 VanDerWaalsContact CB-CE2 3.49Å; P175-F629 HydrophobicContact CB-CZ 3.84Å; P175-F629 WeakPolarHBondContact O-CE2 3.46Å; Y178-F629 HydrophobicContact CD1-CB 4.22Å; Y178-F629 AromaticContact CD1-CD2 3.64Å; Y178-F629 HydrophobicContact CD1-CD2 3.64Å; Y178-F629 HydrophobicContact CD1-CE2 4.12Å; Y178-F629 AromaticContact CD1-CG 3.97Å; Y178-F629 HydrophobicContact CD1-CG 3.97Å; Y178-F629 HydrophobicContact CE1-CB 4.01Å; Y178-F629 HydrophobicContact CE1-CD2 4.29Å; Y178-F629 HydrophobicContact CE1-CG 4.21Å; L179-F629 HydrophobicContact CB-CZ 4.49Å; L179-F629 HydrophobicContact CD1-CE1 3.94Å; L179-F629 HydrophobicContact CD1-CZ 4.41Å; P627-F629 HydrophobicContact CB-CD1 3.89Å; P627-F629 HydrophobicContact CB-CE1 3.59Å; P627-F629 HydrophobicContact CB-CZ 4.31Å; P627-F629 PolarHBondContact O-N 2.95Å; P627-F629 VanDerWaalsContact O-N 3.08Å; F629-W631 VanDerWaalsContact C-N 3.3Å |
| 630 | E | 58.5 | Low | 60.8 | Low | 20 Ų | 20 | 46.9 Ų | 46.9 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -33.7 | 172.8 | -75 | -175.4 | -177.1 | 0 | 0 | 111.3 | Y45 P175 P627 S628 N632 S633 H642 R645 | Y45-E630 PolarHBondContact OH-OE1 3.04Å; P175-E630 HydrophobicContact CB-CG 4.04Å; P175-E630 WeakPolarHBondContact CG-OE1 3.35Å; P627-E630 PolarHBondContact O-N 3.08Å; S628-E630 PolarHBondContact O-N 3.42Å; E630-N632 VanDerWaalsContact C-N 3.33Å; E630-N632 PolarHBondContact O-N 3.12Å; E630-S633 VanDerWaalsContact O-CB 3.3Å; E630-S633 WeakPolarHBondContact O-CB 3.43Å; E630-S633 PolarHBondContact O-N 3.31Å; E630-S633 VanDerWaalsContact O-N 3.17Å; E630-H642 IonicContact OE2-CE1 3.14Å; E630-H642 PolarHBondContact OE2-CE1 3.4Å; E630-H642 IonicContact OE2-ND1 3.41Å; E630-H642 PolarHBondContact OE2-ND1 2.95Å; E630-R645 IonicContact OE1-CZ 3.5Å; E630-R645 IonicContact OE1-NH1 3.78Å; E630-R645 PolarHBondContact OE1-NH1 2.99Å; E630-R645 IonicContact OE2-CZ 2.71Å; E630-R645 IonicContact OE2-NH1 3.61Å; E630-R645 PolarHBondContact OE2-NH1 2.91Å |
| 631 | W | 54.3 | Low | 60.2 | Low | 56 Ų | 56 | 50.4 Ų | 50.4 | 21% | 0.212 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.4 | -23.9 | -176.5 | -149.2 | -105 | 0 | 0 | 0 | 113.7 | Y278 S628 F629 S633 L636 C637 H642 | Y278-W631 AromaticContact CD1-CH2 3.98Å; Y278-W631 HydrophobicContact CD1-CH2 3.98Å; Y278-W631 AromaticContact CD1-CZ2 3.95Å; Y278-W631 HydrophobicContact CD1-CZ2 3.95Å; Y278-W631 HydrophobicContact CD1-CZ3 4.37Å; Y278-W631 AromaticContact CE1-CD2 3.73Å; Y278-W631 HydrophobicContact CE1-CD2 3.73Å; Y278-W631 AromaticContact CE1-CE2 3.73Å; Y278-W631 AromaticContact CE1-CE3 3.78Å; Y278-W631 HydrophobicContact CE1-CE3 3.78Å; Y278-W631 HydrophobicContact CE1-CG 4.39Å; Y278-W631 AromaticContact CE1-CH2 3.83Å; Y278-W631 HydrophobicContact CE1-CH2 3.83Å; Y278-W631 AromaticContact CE1-CZ2 3.78Å; Y278-W631 HydrophobicContact CE1-CZ2 3.78Å; Y278-W631 AromaticContact CE1-CZ3 3.83Å; Y278-W631 HydrophobicContact CE1-CZ3 3.83Å; S628-W631 PolarHBondContact O-N 3.13Å; F629-W631 VanDerWaalsContact C-N 3.3Å; W631-S633 PolarHBondContact O-N 3.01Å; W631-L636 HydrophobicContact CH2-CB 4.27Å; W631-L636 HydrophobicContact CH2-CD2 4.28Å; W631-L636 HydrophobicContact CH2-CG 4.26Å; W631-L636 HydrophobicContact CZ2-CB 4.26Å; W631-L636 HydrophobicContact CZ2-CD2 3.63Å; W631-L636 HydrophobicContact CZ2-CG 3.75Å; W631-C637 WeakPolarHBondContact CZ3-O 3.08Å; W631-H642 AromaticContact CE3-NE2 3.84Å; W631-H642 AromaticContact CZ3-NE2 3.53Å |
| 632 | N | 48.1 | Very low | 60.5 | Low | 99 Ų | 99 | 49.6 Ų | 49.6 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12.1 | 172.8 | -76.4 | -40.3 | 0 | 0 | 0 | 113 | E630 | E630-N632 VanDerWaalsContact C-N 3.33Å; E630-N632 PolarHBondContact O-N 3.12Å |
| 633 | S | 48.8 | Very low | 61.5 | Low | 71 Ų | 71 | 49.5 Ų | 49.5 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -74.2 | 127.6 | 163.4 | -60.2 | 0 | 0 | 0 | 0 | 108.9 | E630 W631 C635 | E630-S633 VanDerWaalsContact O-CB 3.3Å; E630-S633 WeakPolarHBondContact O-CB 3.43Å; E630-S633 PolarHBondContact O-N 3.31Å; E630-S633 VanDerWaalsContact O-N 3.17Å; W631-S633 PolarHBondContact O-N 3.01Å; S633-C635 CarbonylContact O-C 3.53Å; S633-C635 VanDerWaalsContact O-C 3.26Å; S633-C635 PolarHBondContact O-N 3.41Å |
| 634 | K | 43.5 | Very low | 62.3 | Low | 211 Ų | 211 | 53.1 Ų | 53.1 | 92% | 0.917 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -61.2 | -3.9 | -173.6 | -70.5 | -172.2 | 174.1 | -174.1 | 0 | 116.1 | ||
| 635 | C | 43.3 | Very low | 63.1 | Low | 100 Ų | 100 | 52.9 Ų | 52.9 | 68% | 0.676 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -86.1 | 97 | 159 | -64.2 | 0 | 0 | 0 | 0 | 108.4 | S633 C637 | S633-C635 CarbonylContact O-C 3.53Å; S633-C635 VanDerWaalsContact O-C 3.26Å; S633-C635 PolarHBondContact O-N 3.41Å; C635-C637 PolarHBondContact O-N 3.47Å |
| 636 | L | 48.5 | Very low | 63.9 | Low | 119 Ų | 119 | 53 Ų | 53 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | trans | -50.6 | 116.4 | 160 | -85 | 74.9 | 0 | 0 | 0 | 106.8 | W631 N638 | W631-L636 HydrophobicContact CH2-CB 4.27Å; W631-L636 HydrophobicContact CH2-CD2 4.28Å; W631-L636 HydrophobicContact CH2-CG 4.26Å; W631-L636 HydrophobicContact CZ2-CB 4.26Å; W631-L636 HydrophobicContact CZ2-CD2 3.63Å; W631-L636 HydrophobicContact CZ2-CG 3.75Å; L636-N638 PolarHBondContact O-N 3.26Å; L636-N638 VanDerWaalsContact O-N 3.08Å | ||
| 637 | C | 53.8 | Low | 64.7 | Low | 28 Ų | 28 | 52.9 Ų | 52.9 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | trans | -72.1 | 111.2 | -178.4 | -74 | 0 | 0 | 0 | 0 | 107.4 | W631 C635 V641 H642 | W631-C637 WeakPolarHBondContact CZ3-O 3.08Å; C635-C637 PolarHBondContact O-N 3.47Å; C637-V641 HydrophobicContact CB-CB 4.37Å; C637-H642 WeakPolarHBondContact CB-CE1 3.46Å; C637-H642 WeakPolarHBondContact CB-NE2 3.25Å | ||
| 638 | N | 66.7 | Low | 65.5 | Low | 72 Ų | 72 | 53.4 Ų | 53.4 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | trans | -45.1 | 135 | 174 | 171.7 | -10.9 | 0 | 0 | 0 | 108.9 | L636 E640 V641 | L636-N638 PolarHBondContact O-N 3.26Å; L636-N638 VanDerWaalsContact O-N 3.08Å; N638-E640 HydrophobicContact CB-CB 4.45Å; N638-E640 PolarHBondContact ND2-OE1 2.79Å; N638-E640 PolarHBondContact O-N 3.39Å; N638-E640 WeakPolarHBondContact OD1-CB 3.49Å; N638-E640 WeakPolarHBondContact OD1-CG 3.47Å; N638-E640 PolarHBondContact OD1-N 3.06Å; N638-V641 WeakPolarHBondContact O-CB 3.45Å; N638-V641 PolarHBondContact O-N 2.8Å | ||
| 639 | P | 69 | Low | 66.6 | Low | 62 Ų | 62 | 53.6 Ų | 53.6 | 40% | 0.403 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -43.8 | -30.6 | 177.9 | -34.2 | 36.8 | 0 | 0 | 0 | 115.2 | V641 H642 L643 P669 W681 | P639-V641 VanDerWaalsContact C-N 3.34Å; P639-V641 PolarHBondContact O-N 3.11Å; P639-H642 PolarHBondContact O-N 3.46Å; P639-L643 PolarHBondContact O-N 3.33Å; P639-P669 HydrophobicContact CB-CG 4.36Å; P639-W681 HydrophobicContact CB-CE3 4.01Å; P639-W681 HydrophobicContact CB-CZ3 3.64Å; P639-W681 WeakPolarHBondContact O-CZ3 3.22Å |
| 640 | E | 73.5 | Confident | 67.8 | Low | 59 Ų | 59 | 52.7 Ų | 52.7 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -46.6 | -48.9 | 168.1 | -76.9 | -173.7 | -116.9 | 0 | 0 | 115.3 | N638 L643 R644 I661 F663 | N638-E640 HydrophobicContact CB-CB 4.45Å; N638-E640 PolarHBondContact ND2-OE1 2.79Å; N638-E640 PolarHBondContact O-N 3.39Å; N638-E640 WeakPolarHBondContact OD1-CB 3.49Å; N638-E640 WeakPolarHBondContact OD1-CG 3.47Å; N638-E640 PolarHBondContact OD1-N 3.06Å; E640-L643 PolarHBondContact O-N 2.9Å; E640-R644 PolarHBondContact O-N 3.18Å; E640-I661 VanDerWaalsContact CA-CD1 3.44Å; E640-I661 HydrophobicContact CB-CD1 3.37Å; E640-I661 HydrophobicContact CG-CB 4.31Å; E640-I661 HydrophobicContact CG-CD1 3.62Å; E640-I661 HydrophobicContact CG-CG2 4.11Å; E640-I661 WeakPolarHBondContact O-CD1 3.4Å; E640-F663 HydrophobicContact CG-CE2 4.26Å; E640-F663 HydrophobicContact CG-CZ 3.76Å |
| 641 | V | 75.3 | Confident | 68.9 | Low | 75 Ų | 75 | 52 Ų | 52 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | -174.9 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | C637 N638 P639 R644 R645 | C637-V641 HydrophobicContact CB-CB 4.37Å; N638-V641 WeakPolarHBondContact O-CB 3.45Å; N638-V641 PolarHBondContact O-N 2.8Å; P639-V641 VanDerWaalsContact C-N 3.34Å; P639-V641 PolarHBondContact O-N 3.11Å; V641-R644 PolarHBondContact O-N 3.22Å; V641-R645 PolarHBondContact O-N 2.77Å |
| 642 | H | 75.8 | Confident | 70.1 | Confident | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.6 | -45.5 | 177.1 | -62.2 | -42.8 | 0 | 0 | 0 | 111.3 | V626 E630 W631 C637 P639 R644 R645 I646 W681 | V626-H642 HydrophobicContact CG2-CB 4.25Å; E630-H642 IonicContact OE2-CE1 3.14Å; E630-H642 PolarHBondContact OE2-CE1 3.4Å; E630-H642 IonicContact OE2-ND1 3.41Å; E630-H642 PolarHBondContact OE2-ND1 2.95Å; W631-H642 AromaticContact CE3-NE2 3.84Å; W631-H642 AromaticContact CZ3-NE2 3.53Å; C637-H642 WeakPolarHBondContact CB-CE1 3.46Å; C637-H642 WeakPolarHBondContact CB-NE2 3.25Å; P639-H642 PolarHBondContact O-N 3.46Å; H642-R644 VanDerWaalsContact C-N 3.33Å; H642-R644 PolarHBondContact O-N 3.03Å; H642-R645 PolarHBondContact ND1-NH1 3.44Å; H642-R645 PolarHBondContact O-N 2.76Å; H642-R645 VanDerWaalsContact O-N 3.12Å; H642-I646 HydrophobicContact CB-CD1 4.33Å; H642-I646 WeakPolarHBondContact O-CB 3.41Å; H642-I646 WeakPolarHBondContact O-CD1 3.37Å; H642-I646 WeakPolarHBondContact O-CG1 3.47Å; H642-I646 PolarHBondContact O-N 3.17Å; H642-W681 HydrophobicContact CB-CH2 4Å; H642-W681 HydrophobicContact CB-CZ3 3.78Å |
| 643 | L | 82.8 | Confident | 71.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 175.8 | 177.3 | 57.4 | 0 | 0 | 0 | 111.7 | L619 P639 E640 I646 I647 I661 P669 L671 V679 W681 | L619-L643 HydrophobicContact CD1-CD1 4.23Å; P639-L643 PolarHBondContact O-N 3.33Å; E640-L643 PolarHBondContact O-N 2.9Å; L643-I646 PolarHBondContact O-N 3.43Å; L643-I647 HydrophobicContact CD1-CG1 3.93Å; L643-I647 WeakPolarHBondContact O-CB 3.32Å; L643-I647 PolarHBondContact O-N 3.45Å; L643-I647 VanDerWaalsContact O-N 3.15Å; L643-I661 HydrophobicContact CD2-CG2 4.34Å; L643-P669 HydrophobicContact CD2-CB 4.11Å; L643-L671 HydrophobicContact CD2-CB 4.11Å; L643-L671 HydrophobicContact CG-CB 4.34Å; L643-V679 HydrophobicContact CD1-CB 4.49Å; L643-V679 HydrophobicContact CD1-CG1 3.88Å; L643-W681 HydrophobicContact CB-CE3 4.36Å; L643-W681 HydrophobicContact CD1-CB 4.31Å |
| 644 | R | 80.7 | Confident | 72.5 | Confident | 86 Ų | 86 | 51.4 Ų | 51.4 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.8 | -48.7 | 172.8 | -90.8 | 170.7 | -167.1 | -79.8 | 3.3 | 112.4 | E640 V641 H642 S648 N659 I661 L671 | E640-R644 PolarHBondContact O-N 3.18Å; V641-R644 PolarHBondContact O-N 3.22Å; H642-R644 VanDerWaalsContact C-N 3.33Å; H642-R644 PolarHBondContact O-N 3.03Å; R644-S648 VanDerWaalsContact O-CB 3.26Å; R644-S648 WeakPolarHBondContact O-CB 3.2Å; R644-S648 PolarHBondContact O-N 3.13Å; R644-N659 VanDerWaalsContact CZ-O 3.23Å; R644-N659 PolarHBondContact NH1-O 3.21Å; R644-N659 PolarHBondContact NH2-O 2.86Å; R644-I661 HydrophobicContact CG-CD1 3.87Å; R644-I661 HydrophobicContact CG-CG1 4.29Å; R644-L671 HydrophobicContact CG-CD1 4.04Å |
| 645 | R | 79.9 | Confident | 74 | Confident | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 179.4 | -178.1 | -166.1 | 64.1 | -132.1 | -8.8 | 111.5 | M79 Y81 Y625 P627 E630 V641 H642 I647 S648 | M79-R645 HydrophobicContact CE-CG 4.1Å; Y81-R645 PolarHBondContact OH-O 3.32Å; Y625-R645 PolarHBondContact O-NH2 3.14Å; P627-R645 VanDerWaalsContact CD-NH2 3.26Å; E630-R645 IonicContact OE1-CZ 3.5Å; E630-R645 IonicContact OE1-NH1 3.78Å; E630-R645 PolarHBondContact OE1-NH1 2.99Å; E630-R645 IonicContact OE2-CZ 2.71Å; E630-R645 IonicContact OE2-NH1 3.61Å; E630-R645 PolarHBondContact OE2-NH1 2.91Å; V641-R645 PolarHBondContact O-N 2.77Å; H642-R645 PolarHBondContact ND1-NH1 3.44Å; H642-R645 PolarHBondContact O-N 2.76Å; H642-R645 VanDerWaalsContact O-N 3.12Å; R645-I647 PolarHBondContact O-N 3.44Å; R645-S648 PolarHBondContact O-N 3Å; R645-S648 PolarHBondContact O-OG 3.33Å |
| 646 | I | 82.2 | Confident | 75.3 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -41.5 | -175.8 | -65.9 | 159.2 | 0 | 0 | 0 | 110.1 | L583 R584 L619 Y625 H642 L643 | L583-I646 HydrophobicContact CD1-CG2 3.63Å; R584-I646 PolarHBondContact NH1-O 3.45Å; R584-I646 PolarHBondContact NH2-O 3.49Å; L619-I646 HydrophobicContact CD1-CG2 3.86Å; Y625-I646 HydrophobicContact CD2-CD1 4.26Å; Y625-I646 HydrophobicContact CG-CD1 4.14Å; H642-I646 HydrophobicContact CB-CD1 4.33Å; H642-I646 WeakPolarHBondContact O-CB 3.41Å; H642-I646 WeakPolarHBondContact O-CD1 3.37Å; H642-I646 WeakPolarHBondContact O-CG1 3.47Å; H642-I646 PolarHBondContact O-N 3.17Å; L643-I646 PolarHBondContact O-N 3.43Å |
| 647 | I | 86.8 | Confident | 76.1 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -90.9 | -16.7 | -175.9 | -60.2 | -58.2 | 0 | 0 | 0 | 114.2 | L619 L643 R645 P649 F650 L651 L671 L673 V679 | L619-I647 HydrophobicContact CD1-CD1 4.24Å; L643-I647 HydrophobicContact CD1-CG1 3.93Å; L643-I647 WeakPolarHBondContact O-CB 3.32Å; L643-I647 PolarHBondContact O-N 3.45Å; L643-I647 VanDerWaalsContact O-N 3.15Å; R645-I647 PolarHBondContact O-N 3.44Å; I647-P649 VanDerWaalsContact C-CD 3.48Å; I647-F650 HydrophobicContact CD1-CD2 4.42Å; I647-F650 WeakPolarHBondContact O-CA 3.29Å; I647-F650 WeakPolarHBondContact O-CB 3.34Å; I647-F650 PolarHBondContact O-N 2.99Å; I647-L651 HydrophobicContact CG2-CG 4.36Å; I647-L651 PolarHBondContact O-N 3.06Å; I647-L671 HydrophobicContact CB-CD2 4.46Å; I647-L671 HydrophobicContact CG2-CD2 3.79Å; I647-L673 HydrophobicContact CG2-CD1 3.77Å; I647-V679 HydrophobicContact CD1-CB 4.47Å; I647-V679 HydrophobicContact CD1-CG1 3.93Å; I647-V679 HydrophobicContact CD1-CG2 3.92Å; I647-V679 HydrophobicContact CG1-CB 4.37Å; I647-V679 HydrophobicContact CG1-CG1 4.01Å; I647-V679 HydrophobicContact CG1-CG2 4.1Å; I647-V679 HydrophobicContact CG2-CG2 4.23Å |
| 648 | S | 83.5 | Confident | 76.6 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 8% | 0.077 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -58.1 | -33 | -174 | 71 | 0 | 0 | 0 | 0 | 116.1 | I76 Y81 R644 R645 F650 L651 | I76-S648 WeakPolarHBondContact CG2-O 3.44Å; Y81-S648 PolarHBondContact OH-OG 3.24Å; R644-S648 VanDerWaalsContact O-CB 3.26Å; R644-S648 WeakPolarHBondContact O-CB 3.2Å; R644-S648 PolarHBondContact O-N 3.13Å; R645-S648 PolarHBondContact O-N 3Å; R645-S648 PolarHBondContact O-OG 3.33Å; S648-F650 PolarHBondContact O-N 3.28Å; S648-L651 PolarHBondContact O-N 3.32Å; S648-L651 VanDerWaalsContact O-N 3.13Å |
| 649 | P | 83.8 | Confident | 76.6 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 7% | 0.071 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -68.3 | -19.4 | 173.8 | -22.9 | 36.8 | 0 | 0 | 0 | 114.5 | L47 W64 I76 Y81 I647 | L47-P649 HydrophobicContact CD1-CB 4.39Å; L47-P649 HydrophobicContact CD2-CB 3.65Å; L47-P649 HydrophobicContact CD2-CG 3.99Å; W64-P649 PolarHBondContact NE1-O 3.33Å; I76-P649 HydrophobicContact CD1-CB 4.01Å; I76-P649 HydrophobicContact CD1-CG 4.22Å; Y81-P649 HydrophobicContact CD1-CG 4.31Å; Y81-P649 HydrophobicContact CE1-CG 3.78Å; Y81-P649 HydrophobicContact CE2-CG 3.96Å; I647-P649 VanDerWaalsContact C-CD 3.48Å |
| 650 | F | 84.3 | Confident | 76.7 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.039 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -89.9 | -4.3 | 174.2 | -59.6 | -81.9 | 0 | 0 | 0 | 112.9 | M63 L583 V589 T592 R593 Y597 I647 S648 L673 | M63-F650 VanDerWaalsContact CE-O 3.27Å; M63-F650 WeakPolarHBondContact CE-O 3.41Å; L583-F650 WeakPolarHBondContact O-CZ 3.25Å; V589-F650 HydrophobicContact CB-CE1 4.38Å; V589-F650 HydrophobicContact CB-CZ 4.44Å; V589-F650 HydrophobicContact CG1-CE1 3.81Å; V589-F650 HydrophobicContact CG1-CZ 4.12Å; V589-F650 HydrophobicContact CG2-CZ 4.37Å; T592-F650 HydrophobicContact CG2-CB 4.25Å; T592-F650 HydrophobicContact CG2-CD1 3.44Å; T592-F650 VanDerWaalsContact CG2-CD1 3.44Å; T592-F650 HydrophobicContact CG2-CD2 4.24Å; T592-F650 HydrophobicContact CG2-CE1 3.66Å; T592-F650 HydrophobicContact CG2-CE2 4.43Å; T592-F650 HydrophobicContact CG2-CG 3.75Å; T592-F650 HydrophobicContact CG2-CZ 4.16Å; R593-F650 HydrophobicContact CG-CD1 3.84Å; R593-F650 HydrophobicContact CG-CE1 4.22Å; Y597-F650 VanDerWaalsContact CE2-O 3.3Å; Y597-F650 WeakPolarHBondContact CE2-O 3.49Å; Y597-F650 PolarHBondContact OH-O 3.36Å; I647-F650 HydrophobicContact CD1-CD2 4.42Å; I647-F650 WeakPolarHBondContact O-CA 3.29Å; I647-F650 WeakPolarHBondContact O-CB 3.34Å; I647-F650 PolarHBondContact O-N 2.99Å; S648-F650 PolarHBondContact O-N 3.28Å; F650-L673 HydrophobicContact CB-CD1 3.72Å; F650-L673 HydrophobicContact CB-CD2 4.43Å; F650-L673 WeakPolarHBondContact O-CD1 3.35Å |
| 651 | L | 83 | Confident | 76.8 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -88.7 | 137.5 | 179.7 | -76.1 | 174.4 | 0 | 0 | 0 | 112.7 | M63 W64 I647 S648 I656 N659 L671 L673 | M63-L651 VanDerWaalsContact CE-O 3.24Å; M63-L651 WeakPolarHBondContact CE-O 3.25Å; W64-L651 WeakPolarHBondContact CZ2-O 3.36Å; I647-L651 HydrophobicContact CG2-CG 4.36Å; I647-L651 PolarHBondContact O-N 3.06Å; S648-L651 PolarHBondContact O-N 3.32Å; S648-L651 VanDerWaalsContact O-N 3.13Å; L651-I656 HydrophobicContact CB-CD1 4.43Å; L651-I656 HydrophobicContact CB-CG1 3.78Å; L651-I656 HydrophobicContact CD1-CG1 4.31Å; L651-N659 WeakPolarHBondContact CD1-ND2 3.27Å; L651-N659 WeakPolarHBondContact CD2-ND2 3.46Å; L651-L671 HydrophobicContact CD1-CD2 4.46Å; L651-L671 HydrophobicContact CD2-CD2 4.34Å; L651-L673 HydrophobicContact CD2-CD1 3.82Å; L651-L673 HydrophobicContact CG-CD1 4.27Å |
| 652 | Q | 78.5 | Confident | 76.9 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | trans | -63.1 | 139.2 | 168.9 | -67.6 | 175.7 | -38.2 | 0 | 0 | 110.2 | M63 Y597 D654 K655 I656 | M63-Q652 HydrophobicContact CE-CG 3.99Å; Y597-Q652 HydrophobicContact CE1-CG 3.84Å; Y597-Q652 HydrophobicContact CE2-CG 4.35Å; Q652-D654 WeakPolarHBondContact CB-OD1 3.22Å; Q652-D654 PolarHBondContact O-N 3.49Å; Q652-K655 PolarHBondContact O-N 3.27Å; Q652-I656 PolarHBondContact O-N 3.02Å | ||
| 653 | P | 73.6 | Confident | 76.9 | Confident | 76 Ų | 76 | 43 Ų | 43 | 49% | 0.494 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.6 | -169.8 | -29.1 | 35.9 | 0 | 0 | 0 | 115.8 | W64 | W64-P653 HydrophobicContact CH2-CG 4.02Å; W64-P653 HydrophobicContact CZ3-CG 4.24Å |
| 654 | D | 73.2 | Confident | 76.4 | Confident | 102 Ų | 102 | 44 Ų | 44 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30.6 | 177.2 | 63.9 | -54.8 | 0 | 0 | 0 | 113.6 | Q652 T658 | Q652-D654 WeakPolarHBondContact CB-OD1 3.22Å; Q652-D654 PolarHBondContact O-N 3.49Å; D654-T658 PolarHBondContact O-OG1 3.45Å |
| 655 | K | 75.2 | Confident | 75.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -11 | 179.9 | -60.9 | -161.5 | 179.7 | -175.6 | 0 | 113.7 | Q652 T658 N659 D675 | Q652-K655 PolarHBondContact O-N 3.27Å; K655-T658 WeakPolarHBondContact CA-OG1 3.17Å; K655-T658 PolarHBondContact O-OG1 3.07Å; K655-N659 VanDerWaalsContact O-CB 3.23Å; K655-N659 WeakPolarHBondContact O-CB 3.27Å; K655-N659 PolarHBondContact O-N 2.97Å; K655-D675 IonicContact NZ-OD1 2.75Å; K655-D675 PolarHBondContact NZ-OD1 3.14Å; K655-D675 IonicContact NZ-OD2 2.73Å; K655-D675 PolarHBondContact NZ-OD2 3.38Å |
| 656 | I | 71.9 | Confident | 75 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -52.7 | 178.3 | -67 | 178.2 | 0 | 0 | 0 | 113.4 | W64 I76 L651 Q652 T658 | W64-I656 HydrophobicContact CH2-CD1 3.65Å; W64-I656 HydrophobicContact CZ2-CD1 4.06Å; I76-I656 HydrophobicContact CG2-CD1 3.96Å; L651-I656 HydrophobicContact CB-CD1 4.43Å; L651-I656 HydrophobicContact CB-CG1 3.78Å; L651-I656 HydrophobicContact CD1-CG1 4.31Å; Q652-I656 PolarHBondContact O-N 3.02Å; I656-T658 VanDerWaalsContact C-N 3.35Å; I656-T658 PolarHBondContact O-N 3.4Å |
| 657 | P | 64.4 | Low | 74.7 | Confident | 105 Ų | 105 | 57 Ų | 57 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.2 | -177.6 | 29.8 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 658 | T | 63.7 | Low | 74.4 | Confident | 91 Ų | 91 | 57.3 Ų | 57.3 | 56% | 0.558 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -11.4 | -175.4 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | D654 K655 I656 H660 | D654-T658 PolarHBondContact O-OG1 3.45Å; K655-T658 WeakPolarHBondContact CA-OG1 3.17Å; K655-T658 PolarHBondContact O-OG1 3.07Å; I656-T658 VanDerWaalsContact C-N 3.35Å; I656-T658 PolarHBondContact O-N 3.4Å; T658-H660 PolarHBondContact O-CD2 3.37Å; T658-H660 PolarHBondContact O-N 3Å |
| 659 | N | 67.7 | Low | 74.5 | Confident | 21 Ų | 21 | 57.5 Ų | 57.5 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | trans | -69 | 133.5 | 179.3 | -108 | -18.6 | 0 | 0 | 0 | 112 | R644 L651 K655 L671 S672 | R644-N659 VanDerWaalsContact CZ-O 3.23Å; R644-N659 PolarHBondContact NH1-O 3.21Å; R644-N659 PolarHBondContact NH2-O 2.86Å; L651-N659 WeakPolarHBondContact CD1-ND2 3.27Å; L651-N659 WeakPolarHBondContact CD2-ND2 3.46Å; K655-N659 VanDerWaalsContact O-CB 3.23Å; K655-N659 WeakPolarHBondContact O-CB 3.27Å; K655-N659 PolarHBondContact O-N 2.97Å; N659-L671 HydrophobicContact CB-CD1 4.48Å; N659-S672 PolarHBondContact ND2-O 3.08Å; N659-S672 PolarHBondContact OD1-O 2.88Å | ||
| 660 | H | 70.9 | Confident | 74.7 | Confident | 152 Ų | 152 | 57.2 Ų | 57.2 | 70% | 0.704 | 31% | 0.311 | S | S | * | . | trans | -115.4 | 153 | 170.5 | -69.6 | -85.9 | 0 | 0 | 0 | 109.7 | T658 | T658-H660 PolarHBondContact O-CD2 3.37Å; T658-H660 PolarHBondContact O-N 3Å | ||
| 661 | I | 76 | Confident | 74.9 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 130.7 | 175.3 | -58 | 164.5 | 0 | 0 | 0 | 106.8 | E640 L643 R644 P669 S670 L671 | E640-I661 VanDerWaalsContact CA-CD1 3.44Å; E640-I661 HydrophobicContact CB-CD1 3.37Å; E640-I661 HydrophobicContact CG-CB 4.31Å; E640-I661 HydrophobicContact CG-CD1 3.62Å; E640-I661 HydrophobicContact CG-CG2 4.11Å; E640-I661 WeakPolarHBondContact O-CD1 3.4Å; L643-I661 HydrophobicContact CD2-CG2 4.34Å; R644-I661 HydrophobicContact CG-CD1 3.87Å; R644-I661 HydrophobicContact CG-CG1 4.29Å; I661-P669 HydrophobicContact CG2-CB 4.21Å; I661-S670 CarbonylContact C-O 3.59Å; I661-S670 WeakPolarHBondContact CA-O 3.37Å; I661-S670 VanDerWaalsContact CG2-O 3.29Å; I661-S670 WeakPolarHBondContact CG2-O 3.49Å; I661-L671 HydrophobicContact CG1-CD1 4.05Å |
| 662 | S | 77.6 | Confident | 75.2 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 19% | 0.189 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 150 | 174.9 | 41.2 | 0 | 0 | 0 | 0 | 110.9 | M337 S670 | M337-S662 VanDerWaalsContact CE-CB 3.43Å; S662-S670 PolarHBondContact N-O 3.12Å; S662-S670 PolarHBondContact O-N 3.32Å; S662-S670 PolarHBondContact O-OG 3.03Å; S662-S670 PolarHBondContact OG-O 3.48Å; S662-S670 PolarHBondContact OG-OG 2.7Å |
| 663 | F | 76 | Confident | 75.6 | Confident | 69 Ų | 69 | 56.8 Ų | 56.8 | 30% | 0.303 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.1 | 170.6 | -68.5 | -88 | 0 | 0 | 0 | 110.6 | E640 N667 T668 P669 | E640-F663 HydrophobicContact CG-CE2 4.26Å; E640-F663 HydrophobicContact CG-CZ 3.76Å; F663-N667 WeakPolarHBondContact CD1-O 3.34Å; F663-T668 WeakPolarHBondContact CA-O 3.14Å; F663-P669 HydrophobicContact CD1-CB 4.4Å; F663-P669 HydrophobicContact CE1-CB 3.97Å |
| 664 | S | 70.8 | Confident | 76.2 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | trans | -67.8 | 177.1 | 166.9 | 72.8 | 0 | 0 | 0 | 0 | 110.8 | S666 N667 T668 | S664-S666 PolarHBondContact O-N 3.33Å; S664-S666 PolarHBondContact OG-N 3.49Å; S664-S666 PolarHBondContact OG-OG 3.23Å; S664-N667 PolarHBondContact O-N 3.09Å; S664-N667 PolarHBondContact OG-N 2.94Å; S664-T668 PolarHBondContact N-O 2.81Å; S664-T668 VanDerWaalsContact OG-CB 3.25Å; S664-T668 WeakPolarHBondContact OG-CB 3.17Å; S664-T668 PolarHBondContact OG-N 2.91Å; S664-T668 PolarHBondContact OG-OG1 2.96Å | ||
| 665 | Q | 66 | Low | 76.6 | Confident | 191 Ų | 191 | 53.8 Ų | 53.8 | 89% | 0.893 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.3 | 171 | -69 | -178.7 | -18 | 0 | 0 | 112.2 | N667 | Q665-N667 VanDerWaalsContact C-N 3.25Å; Q665-N667 PolarHBondContact O-N 3.49Å |
| 666 | S | 66.8 | Low | 77.2 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 43% | 0.427 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 18.6 | 171.3 | 48.2 | 0 | 0 | 0 | 0 | 113.5 | E289 S664 T668 | E289-S666 PolarHBondContact OE1-OG 3.21Å; E289-S666 WeakPolarHBondContact OE2-CB 3.2Å; E289-S666 PolarHBondContact OE2-OG 3.39Å; S664-S666 PolarHBondContact O-N 3.33Å; S664-S666 PolarHBondContact OG-N 3.49Å; S664-S666 PolarHBondContact OG-OG 3.23Å; S666-T668 PolarHBondContact O-N 3.09Å; S666-T668 VanDerWaalsContact O-N 3.15Å |
| 667 | N | 75.2 | Confident | 78 | Confident | 118 Ų | 118 | 52 Ų | 52 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | trans | 57.4 | 25.1 | 178.3 | -160.8 | 55.4 | 0 | 0 | 0 | 115.6 | F663 S664 Q665 | F663-N667 WeakPolarHBondContact CD1-O 3.34Å; S664-N667 PolarHBondContact O-N 3.09Å; S664-N667 PolarHBondContact OG-N 2.94Å; Q665-N667 VanDerWaalsContact C-N 3.25Å; Q665-N667 PolarHBondContact O-N 3.49Å | ||
| 668 | T | 80.3 | Confident | 79.4 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | trans | -77.2 | 125 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | F663 S664 S666 Y680 L682 | F663-T668 WeakPolarHBondContact CA-O 3.14Å; S664-T668 PolarHBondContact N-O 2.81Å; S664-T668 VanDerWaalsContact OG-CB 3.25Å; S664-T668 WeakPolarHBondContact OG-CB 3.17Å; S664-T668 PolarHBondContact OG-N 2.91Å; S664-T668 PolarHBondContact OG-OG1 2.96Å; S666-T668 PolarHBondContact O-N 3.09Å; S666-T668 VanDerWaalsContact O-N 3.15Å; T668-Y680 HydrophobicContact CG2-CD1 4.39Å; T668-L682 HydrophobicContact CG2-CD2 3.48Å; T668-L682 VanDerWaalsContact CG2-CD2 3.48Å; T668-L682 HydrophobicContact CG2-CG 3.87Å; T668-L682 VanDerWaalsContact OG1-CD2 3.3Å; T668-L682 WeakPolarHBondContact OG1-CD2 3.15Å | ||
| 669 | P | 85.3 | Confident | 80.8 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135.1 | 176.4 | 29.3 | -34.2 | 0 | 0 | 0 | 111.3 | P639 L643 I661 F663 W681 | P639-P669 HydrophobicContact CB-CG 4.36Å; L643-P669 HydrophobicContact CD2-CB 4.11Å; I661-P669 HydrophobicContact CG2-CB 4.21Å; F663-P669 HydrophobicContact CD1-CB 4.4Å; F663-P669 HydrophobicContact CE1-CB 3.97Å; P669-W681 HydrophobicContact CG-CB 4.34Å; P669-W681 PolarHBondContact O-N 2.7Å |
| 670 | S | 89 | Confident | 82 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148 | -175.7 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | I661 S662 V679 | I661-S670 CarbonylContact C-O 3.59Å; I661-S670 WeakPolarHBondContact CA-O 3.37Å; I661-S670 VanDerWaalsContact CG2-O 3.29Å; I661-S670 WeakPolarHBondContact CG2-O 3.49Å; S662-S670 PolarHBondContact N-O 3.12Å; S662-S670 PolarHBondContact O-N 3.32Å; S662-S670 PolarHBondContact O-OG 3.03Å; S662-S670 PolarHBondContact OG-O 3.48Å; S662-S670 PolarHBondContact OG-OG 2.7Å; S670-V679 CarbonylContact C-O 3.6Å; S670-V679 WeakPolarHBondContact CA-O 3.26Å; S670-V679 WeakPolarHBondContact CB-O 3.46Å |
| 671 | L | 88.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 131.4 | -176.3 | 177.2 | 143.2 | 0 | 0 | 0 | 110.6 | L643 R644 I647 L651 N659 I661 L673 V679 | L643-L671 HydrophobicContact CD2-CB 4.11Å; L643-L671 HydrophobicContact CG-CB 4.34Å; R644-L671 HydrophobicContact CG-CD1 4.04Å; I647-L671 HydrophobicContact CB-CD2 4.46Å; I647-L671 HydrophobicContact CG2-CD2 3.79Å; L651-L671 HydrophobicContact CD1-CD2 4.46Å; L651-L671 HydrophobicContact CD2-CD2 4.34Å; N659-L671 HydrophobicContact CB-CD1 4.48Å; I661-L671 HydrophobicContact CG1-CD1 4.05Å; L671-L673 PolarHBondContact O-N 3.37Å; L671-V679 PolarHBondContact N-O 3.2Å; L671-V679 PolarHBondContact O-N 3.24Å |
| 672 | S | 88.9 | Confident | 83.4 | Confident | 41 Ų | 41 | 35.1 Ų | 35.1 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 119.1 | 175.7 | -140.2 | 0 | 0 | 0 | 0 | 109.9 | N659 S674 | N659-S672 PolarHBondContact ND2-O 3.08Å; N659-S672 PolarHBondContact OD1-O 2.88Å; S672-S674 PolarHBondContact OG-O 2.71Å |
| 673 | L | 87 | Confident | 83.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -84.2 | -35.8 | 178 | 177.6 | 54.7 | 0 | 0 | 0 | 111 | T592 A596 Y597 I617 I647 F650 L651 L671 A677 V679 | T592-L673 HydrophobicContact CG2-CD2 3.65Å; A596-L673 HydrophobicContact CB-CD2 3.76Å; A596-L673 HydrophobicContact CB-CG 3.75Å; Y597-L673 PolarHBondContact OH-O 3.15Å; I617-L673 HydrophobicContact CD1-CD2 3.83Å; I647-L673 HydrophobicContact CG2-CD1 3.77Å; F650-L673 HydrophobicContact CB-CD1 3.72Å; F650-L673 HydrophobicContact CB-CD2 4.43Å; F650-L673 WeakPolarHBondContact O-CD1 3.35Å; L651-L673 HydrophobicContact CD2-CD1 3.82Å; L651-L673 HydrophobicContact CG-CD1 4.27Å; L671-L673 PolarHBondContact O-N 3.37Å; L673-A677 HydrophobicContact CB-CB 4.36Å; L673-A677 PolarHBondContact N-O 2.57Å; L673-V679 HydrophobicContact CB-CG2 4.06Å; L673-V679 HydrophobicContact CD2-CG2 4.22Å |
| 674 | S | 85.2 | Confident | 84 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -149.7 | -170.8 | 170.9 | 76.8 | 0 | 0 | 0 | 0 | 109.8 | A596 H614 S672 T676 A677 | A596-S674 WeakPolarHBondContact CA-OG 3.33Å; A596-S674 WeakPolarHBondContact O-CB 3.45Å; A596-S674 PolarHBondContact O-OG 2.87Å; H614-S674 PolarHBondContact NE2-O 2.74Å; S672-S674 PolarHBondContact OG-O 2.71Å; S674-T676 PolarHBondContact O-N 3.13Å; S674-T676 PolarHBondContact OG-N 2.78Å; S674-T676 PolarHBondContact OG-OG1 2.74Å; S674-A677 PolarHBondContact N-O 3.35Å; S674-A677 PolarHBondContact OG-N 2.98Å; S674-A677 VanDerWaalsContact OG-N 3.15Å |
| 675 | D | 82.8 | Confident | 84.6 | Confident | 110 Ų | 110 | 32.5 Ų | 32.5 | 59% | 0.588 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -79.4 | -1.5 | 173.3 | -43 | -56.2 | 0 | 0 | 0 | 111.7 | H614 K655 | H614-D675 PolarHBondContact CE1-O 2.64Å; H614-D675 PolarHBondContact ND1-O 3.5Å; H614-D675 PolarHBondContact NE2-O 3.32Å; K655-D675 IonicContact NZ-OD1 2.75Å; K655-D675 PolarHBondContact NZ-OD1 3.14Å; K655-D675 IonicContact NZ-OD2 2.73Å; K655-D675 PolarHBondContact NZ-OD2 3.38Å |
| 676 | T | 86.3 | Confident | 85.5 | Confident | 30 Ų | 30 | 24.4 Ų | 24.4 | 18% | 0.184 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -126.4 | 2 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | L595 A596 P612 H614 N615 S674 | L595-T676 PolarHBondContact O-OG1 3.08Å; L595-T676 VanDerWaalsContact O-OG1 3.14Å; A596-T676 PolarHBondContact O-OG1 3.28Å; A596-T676 VanDerWaalsContact O-OG1 3.06Å; P612-T676 HydrophobicContact CB-CG2 3.98Å; P612-T676 HydrophobicContact CG-CG2 3.96Å; H614-T676 WeakPolarHBondContact CE1-CA 3.33Å; H614-T676 PolarHBondContact CE1-N 2.84Å; H614-T676 PolarHBondContact NE2-N 3.4Å; N615-T676 WeakPolarHBondContact CB-O 3.21Å; N615-T676 PolarHBondContact N-O 3.37Å; N615-T676 PolarHBondContact ND2-O 3.46Å; S674-T676 PolarHBondContact O-N 3.13Å; S674-T676 PolarHBondContact OG-N 2.78Å; S674-T676 PolarHBondContact OG-OG1 2.74Å |
| 677 | A | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 130.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A596 H614 N615 L673 S674 | A596-A677 HydrophobicContact CB-CB 4.22Å; H614-A677 PolarHBondContact NE2-N 2.71Å; N615-A677 WeakPolarHBondContact O-CA 3.32Å; L673-A677 HydrophobicContact CB-CB 4.36Å; L673-A677 PolarHBondContact N-O 2.57Å; S674-A677 PolarHBondContact N-O 3.35Å; S674-A677 PolarHBondContact OG-N 2.98Å; S674-A677 VanDerWaalsContact OG-N 3.15Å |
| 678 | T | 93.2 | Very high | 87.2 | Confident | 11 Ų | 11 | 16.1 Ų | 16.1 | 7% | 0.067 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.4 | 170.2 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | N615 S616 I617 Y680 | N615-T678 PolarHBondContact O-N 2.83Å; S616-T678 CarbonylContact C-O 3.57Å; S616-T678 WeakPolarHBondContact CA-O 3.26Å; I617-T678 PolarHBondContact N-O 2.61Å; T678-Y680 HydrophobicContact CG2-CD2 4.19Å; T678-Y680 HydrophobicContact CG2-CE1 4.4Å; T678-Y680 HydrophobicContact CG2-CE2 3.61Å |
| 679 | V | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 137.9 | 172.1 | -172 | 0 | 0 | 0 | 0 | 109.4 | I617 L619 L643 I647 S670 L671 L673 | I617-V679 HydrophobicContact CB-CG2 4.23Å; I617-V679 HydrophobicContact CD1-CG2 4.44Å; I617-V679 CarbonylContact O-C 3.58Å; I617-V679 VanDerWaalsContact O-CA 3.28Å; I617-V679 WeakPolarHBondContact O-CA 3.48Å; L619-V679 HydrophobicContact CD1-CG1 4.06Å; L619-V679 HydrophobicContact CD2-CG1 4.31Å; L619-V679 HydrophobicContact CG-CG1 3.81Å; L643-V679 HydrophobicContact CD1-CB 4.49Å; L643-V679 HydrophobicContact CD1-CG1 3.88Å; I647-V679 HydrophobicContact CD1-CB 4.47Å; I647-V679 HydrophobicContact CD1-CG1 3.93Å; I647-V679 HydrophobicContact CD1-CG2 3.92Å; I647-V679 HydrophobicContact CG1-CB 4.37Å; I647-V679 HydrophobicContact CG1-CG1 4.01Å; I647-V679 HydrophobicContact CG1-CG2 4.1Å; I647-V679 HydrophobicContact CG2-CG2 4.23Å; S670-V679 CarbonylContact C-O 3.6Å; S670-V679 WeakPolarHBondContact CA-O 3.26Å; S670-V679 WeakPolarHBondContact CB-O 3.46Å; L671-V679 PolarHBondContact N-O 3.2Å; L671-V679 PolarHBondContact O-N 3.24Å; L673-V679 HydrophobicContact CB-CG2 4.06Å; L673-V679 HydrophobicContact CD2-CG2 4.22Å |
| 680 | Y | 92.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 15.3 Ų | 15.3 | 3% | 0.027 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.4 | 170.5 | -60.6 | -97 | 0 | 0 | 0 | 108.5 | I293 L335 F336 I617 L619 T668 T678 | I293-Y680 HydrophobicContact CD1-CD1 3.66Å; I293-Y680 HydrophobicContact CD1-CD2 4.31Å; I293-Y680 HydrophobicContact CD1-CE1 4.17Å; I293-Y680 HydrophobicContact CD1-CG 3.76Å; I293-Y680 HydrophobicContact CG1-CD1 4.48Å; I293-Y680 HydrophobicContact CG2-CD2 4.14Å; I293-Y680 HydrophobicContact CG2-CE2 4.12Å; L335-Y680 HydrophobicContact CD1-CE1 4.32Å; L335-Y680 WeakPolarHBondContact CG-OH 3.25Å; F336-Y680 WeakPolarHBondContact CD1-OH 3.4Å; F336-Y680 HydrophobicContact CE1-CE2 4.41Å; I617-Y680 PolarHBondContact O-N 2.76Å; L619-Y680 PolarHBondContact N-O 3.17Å; T668-Y680 HydrophobicContact CG2-CD1 4.39Å; T678-Y680 HydrophobicContact CG2-CD2 4.19Å; T678-Y680 HydrophobicContact CG2-CE1 4.4Å; T678-Y680 HydrophobicContact CG2-CE2 3.61Å |
| 681 | W | 88.5 | Confident | 87.2 | Confident | 13 Ų | 13 | 21.3 Ų | 21.3 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 114.1 | 169.9 | -176.7 | 28.2 | 0 | 0 | 0 | 110.6 | L619 E621 V626 P639 H642 L643 P669 | L619-W681 HydrophobicContact CB-CB 4.39Å; L619-W681 HydrophobicContact CB-CG 4.36Å; E621-W681 PolarHBondContact O-NE1 2.6Å; V626-W681 HydrophobicContact CG2-CH2 3.98Å; V626-W681 HydrophobicContact CG2-CZ2 4.15Å; P639-W681 HydrophobicContact CB-CE3 4.01Å; P639-W681 HydrophobicContact CB-CZ3 3.64Å; P639-W681 WeakPolarHBondContact O-CZ3 3.22Å; H642-W681 HydrophobicContact CB-CH2 4Å; H642-W681 HydrophobicContact CB-CZ3 3.78Å; L643-W681 HydrophobicContact CB-CE3 4.36Å; L643-W681 HydrophobicContact CD1-CB 4.31Å; P669-W681 HydrophobicContact CG-CB 4.34Å; P669-W681 PolarHBondContact O-N 2.7Å |
| 682 | L | 88.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -122.1 | 87.3 | -179.8 | -75.6 | 176.4 | 0 | 0 | 0 | 108.2 | T286 E289 F290 I293 I618 L619 I620 T668 M684 | T286-L682 HydrophobicContact CG2-CB 3.85Å; T286-L682 HydrophobicContact CG2-CD2 3.9Å; T286-L682 HydrophobicContact CG2-CG 4.43Å; E289-L682 HydrophobicContact CB-CD1 4.34Å; E289-L682 HydrophobicContact CB-CD2 4.18Å; E289-L682 HydrophobicContact CG-CD1 4.12Å; E289-L682 HydrophobicContact CG-CD2 3.93Å; F290-L682 HydrophobicContact CB-CD1 3.89Å; I293-L682 HydrophobicContact CD1-CD1 3.83Å; I618-L682 HydrophobicContact CG2-CB 4.27Å; I618-L682 HydrophobicContact CG2-CD1 3.92Å; I618-L682 HydrophobicContact CG2-CG 4.36Å; L619-L682 PolarHBondContact O-N 2.8Å; I620-L682 WeakPolarHBondContact CA-O 3.41Å; T668-L682 HydrophobicContact CG2-CD2 3.48Å; T668-L682 VanDerWaalsContact CG2-CD2 3.48Å; T668-L682 HydrophobicContact CG2-CG 3.87Å; T668-L682 VanDerWaalsContact OG1-CD2 3.3Å; T668-L682 WeakPolarHBondContact OG1-CD2 3.15Å; L682-M684 HydrophobicContact CB-CE 3.55Å; L682-M684 HydrophobicContact CD1-CE 4.02Å; L682-M684 HydrophobicContact CG-CE 4.43Å; L682-M684 WeakPolarHBondContact O-CG 3.06Å; L682-M684 PolarHBondContact O-N 3.35Å | ||
| 683 | P | 81.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 21.2 Ų | 21.2 | 25% | 0.247 | 11% | 0.114 | C | C | . | . | trans | -67.7 | 102.9 | -173.9 | 26.9 | -34.7 | 0 | 0 | 0 | 112 | ||||
| 684 | M | 84.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | trans | -109.1 | 66.7 | -179.4 | -65.6 | 174.6 | -134.4 | 0 | 0 | 111.6 | L283 T286 V287 F290 I313 L317 I620 L682 | L283-M684 HydrophobicContact CD1-CB 3.94Å; L283-M684 HydrophobicContact CD1-CG 3.9Å; T286-M684 HydrophobicContact CG2-CE 4.3Å; T286-M684 HydrophobicContact CG2-CG 3.75Å; V287-M684 HydrophobicContact CG2-SD 4.12Å; F290-M684 HydrophobicContact CB-CE 3.5Å; F290-M684 VanDerWaalsContact CB-CE 3.5Å; F290-M684 HydrophobicContact CD2-CE 3.98Å; F290-M684 HydrophobicContact CG-CE 3.85Å; I313-M684 HydrophobicContact CD1-CB 4.22Å; I313-M684 WeakPolarHBondContact CD1-O 3.49Å; L317-M684 HydrophobicContact CD1-SD 4.11Å; L317-M684 HydrophobicContact CD2-SD 3.66Å; I620-M684 HydrophobicContact CB-CE 4.44Å; I620-M684 HydrophobicContact CG2-CE 3.7Å; I620-M684 HydrophobicContact CG2-SD 4.18Å; I620-M684 PolarHBondContact O-N 3.25Å; L682-M684 HydrophobicContact CB-CE 3.55Å; L682-M684 HydrophobicContact CD1-CE 4.02Å; L682-M684 HydrophobicContact CG-CE 4.43Å; L682-M684 WeakPolarHBondContact O-CG 3.06Å; L682-M684 PolarHBondContact O-N 3.35Å | ||
| 685 | E | 82.7 | Confident | 87.5 | Confident | 20 Ų | 20 | 28.2 Ų | 28.2 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | trans | -105.2 | 109.9 | 165.1 | -179.6 | 166.3 | -121.3 | 0 | 0 | 110.1 | R113 Y227 N276 R687 | R113-E685 IonicContact CZ-OE1 3.39Å; R113-E685 IonicContact NH1-OE1 2.72Å; R113-E685 PolarHBondContact NH1-OE1 2.89Å; R113-E685 IonicContact NH2-OE1 3.24Å; Y227-E685 HydrophobicContact CE2-CG 4.22Å; Y227-E685 PolarHBondContact OH-OE1 2.83Å; N276-E685 PolarHBondContact ND2-O 3.35Å; E685-R687 VanDerWaalsContact CD-NH2 3.29Å; E685-R687 HydrophobicContact CG-CB 3.69Å; E685-R687 PolarHBondContact O-N 3.45Å; E685-R687 IonicContact OE1-CZ 2.57Å; E685-R687 IonicContact OE1-NE 3.46Å; E685-R687 IonicContact OE1-NH2 2.69Å; E685-R687 PolarHBondContact OE1-NH2 2.95Å; E685-R687 IonicContact OE2-CZ 3.65Å; E685-R687 IonicContact OE2-NE 2.64Å; E685-R687 PolarHBondContact OE2-NE 3.1Å; E685-R687 IonicContact OE2-NH2 2.74Å; E685-R687 PolarHBondContact OE2-NH2 3.39Å | ||
| 686 | A | 84 | Confident | 88 | Confident | 20 Ų | 20 | 23 Ų | 23 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | trans | -66.8 | -2.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S250 L252 L283 I313 | S250-A686 WeakPolarHBondContact CB-O 3.33Å; S250-A686 PolarHBondContact OG-O 3.37Å; L252-A686 HydrophobicContact CD1-CB 4.39Å; L283-A686 HydrophobicContact CD2-CB 4.21Å; I313-A686 HydrophobicContact CD1-CB 4.47Å | ||
| 687 | R | 89.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -61.9 | 136 | 175.6 | -166.5 | -153 | -42.4 | -135.7 | -5.2 | 109.6 | H19 Y227 H248 T249 T274 N276 E685 G689 | H19-R687 PolarHBondContact O-NH1 3.42Å; Y227-R687 HydrophobicContact CD2-CB 3.95Å; Y227-R687 HydrophobicContact CD2-CG 4.45Å; Y227-R687 HydrophobicContact CE2-CB 3.63Å; Y227-R687 HydrophobicContact CE2-CG 4.32Å; H248-R687 HydrophobicContact CB-CG 4.42Å; H248-R687 PolarHBondContact CD2-NH1 3.01Å; H248-R687 VanDerWaalsContact CD2-NH1 3.32Å; H248-R687 PolarHBondContact NE2-NH1 3.33Å; T249-R687 WeakPolarHBondContact O-CA 3.35Å; T274-R687 PolarHBondContact OG1-NH1 2.89Å; N276-R687 HydrophobicContact CB-CB 4.06Å; N276-R687 HydrophobicContact CB-CG 4.38Å; N276-R687 VanDerWaalsContact CB-O 3.23Å; N276-R687 WeakPolarHBondContact CB-O 3.32Å; N276-R687 PolarHBondContact ND2-O 3.41Å; E685-R687 VanDerWaalsContact CD-NH2 3.29Å; E685-R687 HydrophobicContact CG-CB 3.69Å; E685-R687 PolarHBondContact O-N 3.45Å; E685-R687 IonicContact OE1-CZ 2.57Å; E685-R687 IonicContact OE1-NE 3.46Å; E685-R687 IonicContact OE1-NH2 2.69Å; E685-R687 PolarHBondContact OE1-NH2 2.95Å; E685-R687 IonicContact OE2-CZ 3.65Å; E685-R687 IonicContact OE2-NE 2.64Å; E685-R687 PolarHBondContact OE2-NE 3.1Å; E685-R687 IonicContact OE2-NH2 2.74Å; E685-R687 PolarHBondContact OE2-NH2 3.39Å; R687-G689 PolarHBondContact O-N 2.99Å |
| 688 | I | 89.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | P | Polyproline II helix | trans | -51.6 | 132.1 | -172.7 | -165 | 174.6 | 0 | 0 | 0 | 113.4 | T249 L251 N276 Q692 L696 | T249-I688 PolarHBondContact O-N 3.44Å; L251-I688 HydrophobicContact CD1-CD1 3.84Å; L251-I688 HydrophobicContact CG-CD1 4.02Å; N276-I688 WeakPolarHBondContact CB-O 3.42Å; N276-I688 PolarHBondContact N-O 3.18Å; I688-Q692 HydrophobicContact CD1-CB 3.92Å; I688-Q692 HydrophobicContact CG1-CB 3.57Å; I688-L696 HydrophobicContact CD1-CB 3.55Å; I688-L696 HydrophobicContact CD1-CD1 4.49Å; I688-L696 HydrophobicContact CD1-CD2 3.78Å; I688-L696 HydrophobicContact CD1-CG 4.14Å |
| 689 | G | 87.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 158.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R687 Q691 Q692 | R687-G689 PolarHBondContact O-N 2.99Å; G689-Q691 PolarHBondContact O-N 3.32Å; G689-Q692 PolarHBondContact O-N 3.1Å |
| 690 | A | 84.8 | Confident | 88.2 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -56.4 | -34.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V275 M277 Q692 I693 K716 F718 | V275-A690 HydrophobicContact CG1-CB 4.09Å; M277-A690 HydrophobicContact SD-CB 4.3Å; A690-Q692 PolarHBondContact O-N 3.11Å; A690-I693 HydrophobicContact CB-CD1 4.4Å; A690-I693 WeakPolarHBondContact O-CB 3.39Å; A690-I693 WeakPolarHBondContact O-CD1 3.37Å; A690-I693 WeakPolarHBondContact O-CG1 3.35Å; A690-I693 PolarHBondContact O-N 3.06Å; A690-K716 HydrophobicContact CB-CD 3.75Å; A690-F718 VanDerWaalsContact O-CE1 3.26Å; A690-F718 WeakPolarHBondContact O-CE1 3.31Å |
| 691 | Q | 82.5 | Confident | 88 | Confident | 132 Ų | 132 | 34.5 Ų | 34.5 | 62% | 0.617 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -72.3 | -9.8 | 179.7 | -62.4 | -169.6 | 87.5 | 0 | 0 | 114.4 | D281 G689 | D281-Q691 PolarHBondContact OD1-NE2 3.16Å; D281-Q691 PolarHBondContact OD2-NE2 3.22Å; G689-Q691 PolarHBondContact O-N 3.32Å |
| 692 | Q | 87.9 | Confident | 88 | Confident | 38 Ų | 38 | 37.6 Ų | 37.6 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -105 | 1.8 | -179.6 | -63.3 | 168.9 | -47.3 | 0 | 0 | 112.6 | I688 G689 A690 D694 Q695 L696 | I688-Q692 HydrophobicContact CD1-CB 3.92Å; I688-Q692 HydrophobicContact CG1-CB 3.57Å; G689-Q692 PolarHBondContact O-N 3.1Å; A690-Q692 PolarHBondContact O-N 3.11Å; Q692-D694 PolarHBondContact O-N 3.15Å; Q692-Q695 WeakPolarHBondContact O-CB 3.37Å; Q692-Q695 PolarHBondContact O-N 3.41Å; Q692-L696 PolarHBondContact O-N 2.95Å; Q692-L696 VanDerWaalsContact O-N 3.1Å |
| 693 | I | 90 | Very high | 88.2 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -34 | -179.4 | -74.1 | 173.6 | 0 | 0 | 0 | 111.7 | V275 A690 L696 I697 V713 F718 W720 | V275-I693 HydrophobicContact CG1-CD1 4.09Å; V275-I693 HydrophobicContact CG1-CG1 4.47Å; V275-I693 HydrophobicContact CG2-CD1 4.01Å; V275-I693 HydrophobicContact CG2-CG1 4.44Å; A690-I693 HydrophobicContact CB-CD1 4.4Å; A690-I693 WeakPolarHBondContact O-CB 3.39Å; A690-I693 WeakPolarHBondContact O-CD1 3.37Å; A690-I693 WeakPolarHBondContact O-CG1 3.35Å; A690-I693 PolarHBondContact O-N 3.06Å; I693-L696 PolarHBondContact O-N 3.23Å; I693-I697 HydrophobicContact CG2-CD1 3.47Å; I693-I697 VanDerWaalsContact CG2-CD1 3.47Å; I693-I697 HydrophobicContact CG2-CG1 4.39Å; I693-I697 WeakPolarHBondContact O-CD1 3.47Å; I693-I697 WeakPolarHBondContact O-CG1 3.47Å; I693-I697 PolarHBondContact O-N 2.69Å; I693-V713 HydrophobicContact CD1-CG1 3.19Å; I693-F718 HydrophobicContact CD1-CE1 4.26Å; I693-F718 HydrophobicContact CD1-CZ 3.9Å; I693-W720 HydrophobicContact CG2-CH2 4.31Å |
| 694 | D | 88.5 | Confident | 88.5 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 178.7 | 75.4 | -48.4 | 0 | 0 | 0 | 111.7 | Q692 I697 K698 I723 | Q692-D694 PolarHBondContact O-N 3.15Å; D694-I697 PolarHBondContact O-N 3.39Å; D694-K698 WeakPolarHBondContact O-CB 3.19Å; D694-K698 PolarHBondContact O-N 3.46Å; D694-I723 HydrophobicContact CB-CD1 3.99Å |
| 695 | Q | 89.7 | Confident | 88.8 | Confident | 101 Ų | 101 | 42.7 Ų | 42.7 | 47% | 0.472 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 174.9 | -58.8 | 177.3 | 5.6 | 0 | 0 | 111.5 | L251 Q692 K698 R699 | L251-Q695 HydrophobicContact CD1-CB 3.97Å; Q692-Q695 WeakPolarHBondContact O-CB 3.37Å; Q692-Q695 PolarHBondContact O-N 3.41Å; Q695-K698 PolarHBondContact O-N 3.23Å; Q695-R699 PolarHBondContact O-N 3.34Å; Q695-R699 VanDerWaalsContact O-N 3.1Å |
| 696 | L | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.1 | 178.8 | 63.6 | 0 | 0 | 0 | 112 | I246 T249 L251 F259 I272 I688 Q692 I693 K698 R699 C700 | I246-L696 HydrophobicContact CD1-CD1 4.15Å; I246-L696 HydrophobicContact CD1-CD2 4.04Å; I246-L696 HydrophobicContact CD1-CG 4.23Å; I246-L696 HydrophobicContact CG2-CD2 4.31Å; T249-L696 HydrophobicContact CG2-CD1 4.14Å; L251-L696 HydrophobicContact CD1-CB 4.23Å; L251-L696 HydrophobicContact CD2-CD1 4.09Å; F259-L696 HydrophobicContact CD1-CD1 4.39Å; F259-L696 HydrophobicContact CE1-CD1 3.79Å; F259-L696 HydrophobicContact CE2-CD1 4.35Å; F259-L696 HydrophobicContact CZ-CD1 3.77Å; I272-L696 HydrophobicContact CD1-CD2 3.97Å; I688-L696 HydrophobicContact CD1-CB 3.55Å; I688-L696 HydrophobicContact CD1-CD1 4.49Å; I688-L696 HydrophobicContact CD1-CD2 3.78Å; I688-L696 HydrophobicContact CD1-CG 4.14Å; Q692-L696 PolarHBondContact O-N 2.95Å; Q692-L696 VanDerWaalsContact O-N 3.1Å; I693-L696 PolarHBondContact O-N 3.23Å; L696-K698 VanDerWaalsContact C-N 3.28Å; L696-K698 PolarHBondContact O-N 3.21Å; L696-R699 PolarHBondContact O-N 2.67Å; L696-R699 VanDerWaalsContact O-N 3.14Å; L696-C700 PolarHBondContact O-N 2.73Å; L696-C700 PolarHBondContact O-SG 2.68Å |
| 697 | I | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 179.3 | -67.5 | 160.4 | 0 | 0 | 0 | 110.7 | I272 I693 D694 R699 C700 G701 L707 W720 I723 F730 | I272-I697 HydrophobicContact CD1-CG1 4.44Å; I693-I697 HydrophobicContact CG2-CD1 3.47Å; I693-I697 VanDerWaalsContact CG2-CD1 3.47Å; I693-I697 HydrophobicContact CG2-CG1 4.39Å; I693-I697 WeakPolarHBondContact O-CD1 3.47Å; I693-I697 WeakPolarHBondContact O-CG1 3.47Å; I693-I697 PolarHBondContact O-N 2.69Å; D694-I697 PolarHBondContact O-N 3.39Å; I697-R699 VanDerWaalsContact C-N 3.3Å; I697-R699 PolarHBondContact O-N 2.89Å; I697-C700 PolarHBondContact O-N 3.17Å; I697-G701 CarbonylContact O-C 3.17Å; I697-G701 WeakPolarHBondContact O-CA 3.36Å; I697-G701 PolarHBondContact O-N 3.07Å; I697-L707 HydrophobicContact CD1-CD1 4.47Å; I697-L707 HydrophobicContact CD1-CD2 3.41Å; I697-L707 VanDerWaalsContact CD1-CD2 3.41Å; I697-L707 HydrophobicContact CG1-CD2 4.2Å; I697-W720 HydrophobicContact CD1-CH2 3.94Å; I697-W720 HydrophobicContact CD1-CZ3 3.61Å; I697-I723 HydrophobicContact CB-CD1 4.03Å; I697-I723 HydrophobicContact CG2-CD1 3.9Å; I697-I723 HydrophobicContact CG2-CG1 4.3Å; I697-I723 HydrophobicContact CG2-CG2 3.91Å; I697-F730 HydrophobicContact CG2-CZ 4.41Å |
| 698 | K | 90.3 | Very high | 90.2 | Very high | 148 Ų | 148 | 40.7 Ų | 40.7 | 64% | 0.643 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.8 | -32.3 | 172.7 | -174.9 | 176.2 | 178.6 | -179.3 | 0 | 113 | D694 Q695 L696 | D694-K698 WeakPolarHBondContact O-CB 3.19Å; D694-K698 PolarHBondContact O-N 3.46Å; Q695-K698 PolarHBondContact O-N 3.23Å; L696-K698 VanDerWaalsContact C-N 3.28Å; L696-K698 PolarHBondContact O-N 3.21Å |
| 699 | R | 91.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -74.9 | -40.6 | 169.7 | -76.3 | -166.4 | 71.5 | -174.2 | -8.7 | 112.6 | F259 D261 Q695 L696 I697 G701 | F259-R699 HydrophobicContact CE1-CB 4.11Å; F259-R699 PolarHBondContact O-NH1 3.25Å; F259-R699 PolarHBondContact O-NH2 3.22Å; D261-R699 HydrophobicContact CB-CB 4.29Å; D261-R699 IonicContact OD1-CZ 2.71Å; D261-R699 IonicContact OD1-NE 3.01Å; D261-R699 IonicContact OD1-NH2 3.68Å; D261-R699 PolarHBondContact OD1-NH2 2.9Å; D261-R699 VanDerWaalsContact OD2-CB 3.31Å; D261-R699 WeakPolarHBondContact OD2-CB 3.26Å; D261-R699 IonicContact OD2-CZ 2.92Å; D261-R699 IonicContact OD2-NE 3.02Å; D261-R699 PolarHBondContact OD2-NE 3.09Å; D261-R699 IonicContact OD2-NH2 3.69Å; D261-R699 PolarHBondContact OD2-NH2 2.96Å; Q695-R699 PolarHBondContact O-N 3.34Å; Q695-R699 VanDerWaalsContact O-N 3.1Å; L696-R699 PolarHBondContact O-N 2.67Å; L696-R699 VanDerWaalsContact O-N 3.14Å; I697-R699 VanDerWaalsContact C-N 3.3Å; I697-R699 PolarHBondContact O-N 2.89Å; R699-G701 PolarHBondContact O-N 2.85Å |
| 700 | C | 93.3 | Very high | 90.7 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74.8 | -21.8 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 114.6 | F264 L270 L696 I697 | F264-C700 HydrophobicContact CB-CB 4.2Å; F264-C700 HydrophobicContact CD1-CB 3.85Å; F264-C700 HydrophobicContact CG-CB 4.24Å; L270-C700 HydrophobicContact CD2-CB 3.8Å; L696-C700 PolarHBondContact O-N 2.73Å; L696-C700 PolarHBondContact O-SG 2.68Å; I697-C700 PolarHBondContact O-N 3.17Å |
| 701 | G | 88.6 | Confident | 91 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | trans | 83.5 | 165.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I697 R699 P703 | I697-G701 CarbonylContact O-C 3.17Å; I697-G701 WeakPolarHBondContact O-CA 3.36Å; I697-G701 PolarHBondContact O-N 3.07Å; R699-G701 PolarHBondContact O-N 2.85Å; G701-P703 WeakPolarHBondContact O-CD 3.39Å | ||
| 702 | E | 88.3 | Confident | 91.2 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 36% | 0.364 | 18% | 0.178 | S | C | . | . | trans | -72.2 | 117 | 173.1 | 171.7 | 174.6 | 153.6 | 0 | 0 | 110.1 | T724 F730 K733 | E702-T724 WeakPolarHBondContact OE2-CB 3.24Å; E702-T724 PolarHBondContact OE2-OG1 2.81Å; E702-F730 HydrophobicContact CB-CE2 4.41Å; E702-F730 HydrophobicContact CG-CD2 3.73Å; E702-F730 HydrophobicContact CG-CE2 3.89Å; E702-K733 IonicContact OE1-NZ 3.73Å; E702-K733 PolarHBondContact OE1-NZ 3.17Å | ||
| 703 | P | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | trans | -67.7 | 145.6 | 178.4 | 27.4 | -34.2 | 0 | 0 | 0 | 111.6 | T267 L270 G701 A706 L707 K733 | T267-P703 CarbonylContact O-C 3.56Å; T267-P703 WeakPolarHBondContact O-CA 3.43Å; L270-P703 HydrophobicContact CB-CB 3.98Å; L270-P703 HydrophobicContact CB-CG 4.04Å; G701-P703 WeakPolarHBondContact O-CD 3.39Å; P703-A706 WeakPolarHBondContact CB-O 3.48Å; P703-A706 VanDerWaalsContact CG-O 3.31Å; P703-A706 WeakPolarHBondContact CG-O 3.39Å; P703-L707 HydrophobicContact CG-CB 3.89Å; P703-K733 WeakPolarHBondContact O-CD 3.42Å; P703-K733 PolarHBondContact O-NZ 3.24Å | ||
| 704 | R | 88.1 | Confident | 91.1 | Very high | 109 Ų | 109 | 40.2 Ų | 40.2 | 41% | 0.411 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -69.3 | -39.9 | -171.2 | -168.1 | 178.8 | 63.1 | 94.3 | -1 | 113.6 | T267 D268 K733 | T267-R704 PolarHBondContact O-N 2.76Å; D268-R704 IonicContact OD1-CZ 3.93Å; D268-R704 IonicContact OD1-NE 2.75Å; D268-R704 PolarHBondContact OD1-NE 3.49Å; D268-R704 IonicContact OD1-NH2 3.43Å; D268-R704 PolarHBondContact OD1-NH2 2.75Å; R704-K733 WeakPolarHBondContact O-CE 3.33Å; R704-K733 PolarHBondContact O-NZ 3.2Å |
| 705 | L | 90.3 | Very high | 91 | Very high | 43 Ų | 43 | 43.2 Ų | 43.2 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -108.1 | -49.8 | -175.7 | -55 | 178.5 | 0 | 0 | 0 | 112.6 | D268 V269 K733 L747 P748 | D268-L705 HydrophobicContact CB-CD1 4.08Å; D268-L705 HydrophobicContact CB-CG 4.25Å; D268-L705 WeakPolarHBondContact O-CA 3.24Å; D268-L705 VanDerWaalsContact O-CB 3.28Å; D268-L705 WeakPolarHBondContact O-CB 3.26Å; D268-L705 PolarHBondContact O-N 3.27Å; V269-L705 HydrophobicContact CG2-CB 4.3Å; L705-K733 WeakPolarHBondContact O-CB 3.3Å; L705-K733 WeakPolarHBondContact O-CG 3.23Å; L705-L747 HydrophobicContact CD1-CD2 4.2Å; L705-P748 HydrophobicContact CD1-CG 4.32Å; L705-P748 HydrophobicContact CD2-CG 4.31Å |
| 706 | A | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 145.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D268 V269 L270 P703 K733 I745 | D268-A706 PolarHBondContact O-N 3.26Å; D268-A706 VanDerWaalsContact O-N 3.16Å; V269-A706 WeakPolarHBondContact CA-O 3.35Å; V269-A706 HydrophobicContact CG1-CB 4.2Å; V269-A706 HydrophobicContact CG2-CB 4.26Å; L270-A706 PolarHBondContact N-O 3.34Å; P703-A706 WeakPolarHBondContact CB-O 3.48Å; P703-A706 VanDerWaalsContact CG-O 3.31Å; P703-A706 WeakPolarHBondContact CG-O 3.39Å; A706-K733 CarbonylContact C-O 3.59Å; A706-K733 VanDerWaalsContact CA-O 3.31Å; A706-K733 WeakPolarHBondContact CA-O 3.43Å; A706-I745 HydrophobicContact CB-CD1 3.54Å; A706-I745 HydrophobicContact CB-CG1 4.45Å |
| 707 | L | 95.7 | Very high | 90 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.8 | 162.5 | 172.8 | 58.4 | 0 | 0 | 0 | 108.4 | L270 I272 I697 P703 L709 W720 F730 K733 L734 H735 | L270-L707 HydrophobicContact CB-CD1 4.06Å; L270-L707 HydrophobicContact CD2-CD1 3.99Å; L270-L707 HydrophobicContact CG-CD1 3.9Å; L270-L707 WeakPolarHBondContact O-CA 3.44Å; I272-L707 HydrophobicContact CD1-CD1 4.34Å; I272-L707 HydrophobicContact CG1-CD1 4.42Å; I697-L707 HydrophobicContact CD1-CD1 4.47Å; I697-L707 HydrophobicContact CD1-CD2 3.41Å; I697-L707 VanDerWaalsContact CD1-CD2 3.41Å; I697-L707 HydrophobicContact CG1-CD2 4.2Å; P703-L707 HydrophobicContact CG-CB 3.89Å; L707-L709 HydrophobicContact CD1-CD2 3.95Å; L707-L709 HydrophobicContact CD2-CD2 4.43Å; L707-L709 HydrophobicContact CG-CD2 4.09Å; L707-L709 HydrophobicContact CG-CG 4.3Å; L707-W720 HydrophobicContact CD2-CH2 4.35Å; L707-W720 HydrophobicContact CD2-CZ3 4.49Å; L707-F730 HydrophobicContact CD2-CE1 4.17Å; L707-F730 HydrophobicContact CD2-CZ 3.7Å; L707-K733 PolarHBondContact N-O 3.41Å; L707-L734 HydrophobicContact CB-CD1 4.08Å; L707-L734 HydrophobicContact CD2-CD1 3.57Å; L707-L734 HydrophobicContact CG-CD1 3.79Å; L707-H735 PolarHBondContact O-N 3.03Å |
| 708 | I | 96.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.8 | 179.2 | -52.8 | 167 | 0 | 0 | 0 | 109.6 | L11 V269 L270 I271 I272 H735 I737 L743 I745 | L11-I708 HydrophobicContact CD2-CD1 3.85Å; L11-I708 HydrophobicContact CD2-CG2 4.01Å; V269-I708 HydrophobicContact CG1-CD1 3.87Å; V269-I708 HydrophobicContact CG1-CG1 4.42Å; L270-I708 PolarHBondContact O-N 3.08Å; I271-I708 HydrophobicContact CD1-CD1 4.44Å; I271-I708 HydrophobicContact CG1-CD1 4.05Å; I271-I708 HydrophobicContact CG2-CB 4.43Å; I272-I708 PolarHBondContact N-O 3.28Å; I708-H735 WeakPolarHBondContact CA-O 3.42Å; I708-H735 HydrophobicContact CG1-CB 4.41Å; I708-I737 HydrophobicContact CG2-CB 4.12Å; I708-I737 HydrophobicContact CG2-CG2 3.76Å; I708-L743 HydrophobicContact CD1-CD2 3.76Å; I708-L743 HydrophobicContact CG1-CD2 3.77Å; I708-L743 HydrophobicContact CG2-CD2 4.22Å; I708-I745 HydrophobicContact CD1-CD1 3.65Å; I708-I745 HydrophobicContact CG1-CD1 4.12Å |
| 709 | L | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.4 | 176.3 | -54.6 | -178.3 | 0 | 0 | 0 | 110.2 | I272 L707 V713 W720 L734 H735 G736 I737 | I272-L709 HydrophobicContact CB-CD2 3.92Å; I272-L709 HydrophobicContact CD1-CD2 3.77Å; I272-L709 HydrophobicContact CG1-CD2 4.08Å; L707-L709 HydrophobicContact CD1-CD2 3.95Å; L707-L709 HydrophobicContact CD2-CD2 4.43Å; L707-L709 HydrophobicContact CG-CD2 4.09Å; L707-L709 HydrophobicContact CG-CG 4.3Å; L709-V713 HydrophobicContact CB-CB 4.48Å; L709-V713 HydrophobicContact CB-CG1 4.49Å; L709-V713 HydrophobicContact CD1-CG1 4.3Å; L709-W720 HydrophobicContact CD1-CH2 4.5Å; L709-L734 HydrophobicContact CD1-CD1 3.93Å; L709-L734 HydrophobicContact CG-CD1 4.27Å; L709-H735 PolarHBondContact N-O 2.92Å; L709-G736 CarbonylContact O-C 3.52Å; L709-G736 WeakPolarHBondContact O-CA 3.3Å; L709-I737 PolarHBondContact O-N 3.44Å |
| 710 | P | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 144.4 | 167.3 | -15.9 | 31.1 | 0 | 0 | 0 | 109.9 | V18 I272 E712 V713 Y714 | V18-P710 HydrophobicContact CG2-CB 3.62Å; V18-P710 HydrophobicContact CG2-CG 3.79Å; I272-P710 WeakPolarHBondContact O-CD 3.46Å; P710-E712 VanDerWaalsContact C-N 3.26Å; P710-E712 WeakPolarHBondContact CB-OE2 3.42Å; P710-E712 PolarHBondContact O-N 3.39Å; P710-V713 HydrophobicContact CB-CG2 4.09Å; P710-V713 HydrophobicContact CG-CG2 3.99Å; P710-V713 WeakPolarHBondContact O-CA 3.46Å; P710-V713 WeakPolarHBondContact O-CB 3.41Å; P710-V713 PolarHBondContact O-N 3.16Å; P710-Y714 PolarHBondContact O-N 3.03Å |
| 711 | Q | 90.6 | Very high | 87.2 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -40.4 | -175 | -169.3 | 65.3 | 42.9 | 0 | 0 | 113.3 | V713 Y714 D715 I737 | Q711-V713 PolarHBondContact O-N 2.83Å; Q711-Y714 PolarHBondContact O-N 2.89Å; Q711-D715 PolarHBondContact NE2-OD1 2.89Å; Q711-D715 WeakPolarHBondContact O-CB 3Å; Q711-D715 VanDerWaalsContact O-CG 3.28Å; Q711-D715 PolarHBondContact O-N 2.95Å; Q711-I737 PolarHBondContact N-O 3.05Å |
| 712 | E | 87.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -26.8 | 179.6 | -48.6 | 90 | 148.3 | 0 | 0 | 112.2 | R13 M277 P710 | R13-E712 IonicContact CZ-OE1 2.68Å; R13-E712 VanDerWaalsContact CZ-OE1 3.29Å; R13-E712 IonicContact CZ-OE2 3.66Å; R13-E712 VanDerWaalsContact NH1-CD 3.27Å; R13-E712 IonicContact NH1-OE1 3.95Å; R13-E712 PolarHBondContact NH1-OE1 3.48Å; R13-E712 IonicContact NH1-OE2 2.72Å; R13-E712 PolarHBondContact NH1-OE2 2.9Å; R13-E712 IonicContact NH2-OE1 2.59Å; R13-E712 PolarHBondContact NH2-OE1 2.99Å; R13-E712 IonicContact NH2-OE2 3.18Å; M277-E712 HydrophobicContact CE-CB 3.98Å; M277-E712 WeakPolarHBondContact CE-O 3.07Å; P710-E712 VanDerWaalsContact C-N 3.26Å; P710-E712 WeakPolarHBondContact CB-OE2 3.42Å; P710-E712 PolarHBondContact O-N 3.39Å |
| 713 | V | 87.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -85.2 | -48.6 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | V18 V275 M277 I693 L709 P710 Q711 D715 K716 F718 | V18-V713 HydrophobicContact CG2-CG2 4.31Å; V275-V713 HydrophobicContact CB-CG2 3.79Å; V275-V713 HydrophobicContact CG1-CG2 4.4Å; V275-V713 HydrophobicContact CG2-CG1 4.16Å; V275-V713 HydrophobicContact CG2-CG2 3.88Å; M277-V713 HydrophobicContact SD-CG2 4.01Å; I693-V713 HydrophobicContact CD1-CG1 3.19Å; L709-V713 HydrophobicContact CB-CB 4.48Å; L709-V713 HydrophobicContact CB-CG1 4.49Å; L709-V713 HydrophobicContact CD1-CG1 4.3Å; P710-V713 HydrophobicContact CB-CG2 4.09Å; P710-V713 HydrophobicContact CG-CG2 3.99Å; P710-V713 WeakPolarHBondContact O-CA 3.46Å; P710-V713 WeakPolarHBondContact O-CB 3.41Å; P710-V713 PolarHBondContact O-N 3.16Å; Q711-V713 PolarHBondContact O-N 2.83Å; V713-D715 PolarHBondContact O-N 2.83Å; V713-K716 WeakPolarHBondContact O-CB 3.31Å; V713-K716 PolarHBondContact O-N 2.86Å; V713-F718 HydrophobicContact CG1-CE2 4.45Å; V713-F718 HydrophobicContact CG1-CZ 4.13Å; V713-F718 VanDerWaalsContact O-CE2 3.24Å; V713-F718 WeakPolarHBondContact O-CE2 3.43Å |
| 714 | Y | 88.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 35% | 0.345 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.1 | -35.7 | 178.7 | 175.6 | -82.8 | 0 | 0 | 0 | 113 | P710 Q711 K716 L734 | P710-Y714 PolarHBondContact O-N 3.03Å; Q711-Y714 PolarHBondContact O-N 2.89Å; Y714-K716 PolarHBondContact O-N 2.92Å; Y714-L734 HydrophobicContact CD2-CD2 4Å; Y714-L734 HydrophobicContact CD2-CG 3.86Å; Y714-L734 HydrophobicContact CE2-CB 4.31Å; Y714-L734 HydrophobicContact CE2-CD2 3.78Å; Y714-L734 HydrophobicContact CE2-CG 3.7Å |
| 715 | D | 86 | Confident | 84 | Confident | 112 Ų | 112 | 49.2 Ų | 49.2 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.7 | 179.6 | -71.5 | -14.6 | 0 | 0 | 0 | 113.8 | Q711 V713 | Q711-D715 PolarHBondContact NE2-OD1 2.89Å; Q711-D715 WeakPolarHBondContact O-CB 3Å; Q711-D715 VanDerWaalsContact O-CG 3.28Å; Q711-D715 PolarHBondContact O-N 2.95Å; V713-D715 PolarHBondContact O-N 2.83Å |
| 716 | K | 83 | Confident | 83.5 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 32% | 0.317 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -82.2 | 144.6 | 173.9 | -76.7 | 178.8 | 166.2 | 173.5 | 0 | 111.6 | M277 A690 V713 Y714 F718 | M277-K716 HydrophobicContact CE-CD 4.14Å; M277-K716 HydrophobicContact SD-CD 4.29Å; M277-K716 PolarHBondContact SD-NZ 3.03Å; A690-K716 HydrophobicContact CB-CD 3.75Å; V713-K716 WeakPolarHBondContact O-CB 3.31Å; V713-K716 PolarHBondContact O-N 2.86Å; Y714-K716 PolarHBondContact O-N 2.92Å; K716-F718 HydrophobicContact CB-CE1 4.26Å; K716-F718 HydrophobicContact CB-CE2 3.99Å; K716-F718 HydrophobicContact CB-CZ 3.69Å; K716-F718 VanDerWaalsContact O-CD2 3.26Å; K716-F718 WeakPolarHBondContact O-CD2 3.32Å; K716-F718 WeakPolarHBondContact O-CE2 3.23Å |
| 717 | P | 78.6 | Confident | 82.6 | Confident | 129 Ų | 129 | 55.1 Ų | 55.1 | 84% | 0.838 | 30% | 0.299 | S | S | * | . | trans | -74.3 | 126.9 | 175.7 | 30.2 | -33.4 | 0 | 0 | 0 | 111.2 | ||||
| 718 | F | 77.4 | Confident | 81.6 | Confident | 49 Ų | 49 | 63 Ų | 63 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -125.8 | 146.6 | 174.5 | -56.8 | -68.3 | 0 | 0 | 0 | 110.9 | A690 I693 V713 K716 W720 | A690-F718 VanDerWaalsContact O-CE1 3.26Å; A690-F718 WeakPolarHBondContact O-CE1 3.31Å; I693-F718 HydrophobicContact CD1-CE1 4.26Å; I693-F718 HydrophobicContact CD1-CZ 3.9Å; V713-F718 HydrophobicContact CG1-CE2 4.45Å; V713-F718 HydrophobicContact CG1-CZ 4.13Å; V713-F718 VanDerWaalsContact O-CE2 3.24Å; V713-F718 WeakPolarHBondContact O-CE2 3.43Å; K716-F718 HydrophobicContact CB-CE1 4.26Å; K716-F718 HydrophobicContact CB-CE2 3.99Å; K716-F718 HydrophobicContact CB-CZ 3.69Å; K716-F718 VanDerWaalsContact O-CD2 3.26Å; K716-F718 WeakPolarHBondContact O-CD2 3.32Å; K716-F718 WeakPolarHBondContact O-CE2 3.23Å; F718-W720 HydrophobicContact CB-CD2 4.3Å; F718-W720 HydrophobicContact CB-CH2 4.37Å; F718-W720 HydrophobicContact CB-CZ2 3.84Å; F718-W720 HydrophobicContact CD2-CH2 4.18Å; F718-W720 AromaticContact CD2-CZ2 3.59Å; F718-W720 HydrophobicContact CD2-CZ2 3.59Å; F718-W720 HydrophobicContact CE2-CZ2 4.49Å; F718-W720 HydrophobicContact CG-CH2 4.4Å; F718-W720 HydrophobicContact CG-CZ2 4Å; F718-W720 PolarHBondContact O-N 3.49Å | ||
| 719 | D | 77.3 | Confident | 80.5 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | trans | -92.3 | 95.4 | 170.9 | -169.2 | -14.4 | 0 | 0 | 0 | 110.3 | S721 | D719-S721 VanDerWaalsContact CG-OG 3.31Å; D719-S721 PolarHBondContact O-N 3.48Å; D719-S721 WeakPolarHBondContact OD1-CB 3.37Å; D719-S721 PolarHBondContact OD1-N 3.22Å; D719-S721 PolarHBondContact OD1-OG 2.95Å; D719-S721 PolarHBondContact OD2-OG 3.45Å | ||
| 720 | W | 80.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.2 | -4.2 | 179.8 | -60.1 | 112.2 | 0 | 0 | 0 | 114.2 | I693 I697 L707 L709 F718 S722 I723 T724 P727 F730 L734 | I693-W720 HydrophobicContact CG2-CH2 4.31Å; I697-W720 HydrophobicContact CD1-CH2 3.94Å; I697-W720 HydrophobicContact CD1-CZ3 3.61Å; L707-W720 HydrophobicContact CD2-CH2 4.35Å; L707-W720 HydrophobicContact CD2-CZ3 4.49Å; L709-W720 HydrophobicContact CD1-CH2 4.5Å; F718-W720 HydrophobicContact CB-CD2 4.3Å; F718-W720 HydrophobicContact CB-CH2 4.37Å; F718-W720 HydrophobicContact CB-CZ2 3.84Å; F718-W720 HydrophobicContact CD2-CH2 4.18Å; F718-W720 AromaticContact CD2-CZ2 3.59Å; F718-W720 HydrophobicContact CD2-CZ2 3.59Å; F718-W720 HydrophobicContact CE2-CZ2 4.49Å; F718-W720 HydrophobicContact CG-CH2 4.4Å; F718-W720 HydrophobicContact CG-CZ2 4Å; F718-W720 PolarHBondContact O-N 3.49Å; W720-S722 PolarHBondContact O-N 3.18Å; W720-I723 HydrophobicContact CE3-CD1 3.58Å; W720-I723 HydrophobicContact CZ3-CD1 3.75Å; W720-I723 PolarHBondContact O-N 2.67Å; W720-T724 PolarHBondContact O-N 2.7Å; W720-P727 HydrophobicContact CB-CB 4.38Å; W720-F730 HydrophobicContact CB-CD1 4.44Å; W720-F730 HydrophobicContact CD2-CD1 4.11Å; W720-F730 AromaticContact CD2-CE1 3.72Å; W720-F730 HydrophobicContact CD2-CE1 3.72Å; W720-F730 HydrophobicContact CE3-CD1 4.18Å; W720-F730 AromaticContact CE3-CE1 3.44Å; W720-F730 HydrophobicContact CE3-CE1 3.44Å; W720-F730 VanDerWaalsContact CE3-CE1 3.44Å; W720-F730 HydrophobicContact CE3-CZ 4.07Å; W720-F730 HydrophobicContact CG-CD1 4.23Å; W720-F730 HydrophobicContact CG-CE1 4.32Å; W720-F730 HydrophobicContact CH2-CE1 4.33Å; W720-F730 AromaticContact CZ3-CE1 3.79Å; W720-F730 HydrophobicContact CZ3-CE1 3.79Å; W720-F730 HydrophobicContact CZ3-CZ 4.17Å; W720-L734 HydrophobicContact CH2-CD1 4.31Å; W720-L734 HydrophobicContact CZ2-CD1 4.09Å; W720-L734 HydrophobicContact CZ2-CD2 3.78Å |
| 721 | S | 73.5 | Confident | 79 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -70 | -18.2 | -176.9 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | D719 I723 | D719-S721 VanDerWaalsContact CG-OG 3.31Å; D719-S721 PolarHBondContact O-N 3.48Å; D719-S721 WeakPolarHBondContact OD1-CB 3.37Å; D719-S721 PolarHBondContact OD1-N 3.22Å; D719-S721 PolarHBondContact OD1-OG 2.95Å; D719-S721 PolarHBondContact OD2-OG 3.45Å; S721-I723 VanDerWaalsContact C-N 3.34Å |
| 722 | S | 71.8 | Confident | 78.4 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -75.5 | -21 | 175 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | W720 | W720-S722 PolarHBondContact O-N 3.18Š|
| 723 | I | 73 | Confident | 78.4 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -43 | -174.1 | -72 | 155.9 | 0 | 0 | 0 | 111.6 | D694 I697 W720 S721 F730 | D694-I723 HydrophobicContact CB-CD1 3.99Å; I697-I723 HydrophobicContact CB-CD1 4.03Å; I697-I723 HydrophobicContact CG2-CD1 3.9Å; I697-I723 HydrophobicContact CG2-CG1 4.3Å; I697-I723 HydrophobicContact CG2-CG2 3.91Å; W720-I723 HydrophobicContact CE3-CD1 3.58Å; W720-I723 HydrophobicContact CZ3-CD1 3.75Å; W720-I723 PolarHBondContact O-N 2.67Å; S721-I723 VanDerWaalsContact C-N 3.34Å; I723-F730 HydrophobicContact CG2-CE2 4.23Å; I723-F730 HydrophobicContact CG2-CZ 4.5Å |
| 724 | T | 74.4 | Confident | 78.7 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 9% | 0.086 | 41% | 0.407 | C | S | . | . | trans | -134.1 | 141.4 | -171.4 | -171.2 | 0 | 0 | 0 | 0 | 112.7 | E702 W720 K726 P727 F730 | E702-T724 WeakPolarHBondContact OE2-CB 3.24Å; E702-T724 PolarHBondContact OE2-OG1 2.81Å; W720-T724 PolarHBondContact O-N 2.7Å; T724-K726 PolarHBondContact O-N 2.94Å; T724-K726 PolarHBondContact OG1-N 3.45Å; T724-P727 HydrophobicContact CG2-CB 4.44Å; T724-F730 HydrophobicContact CG2-CB 3.49Å; T724-F730 VanDerWaalsContact CG2-CB 3.49Å; T724-F730 HydrophobicContact CG2-CD2 4.18Å; T724-F730 HydrophobicContact CG2-CG 3.89Å | ||
| 725 | T | 71 | Confident | 78.9 | Confident | 139 Ų | 139 | 74.6 Ų | 74.6 | 85% | 0.853 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.6 | -6 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 726 | K | 78.2 | Confident | 79.2 | Confident | 116 Ų | 116 | 69.7 Ų | 69.7 | 50% | 0.504 | 38% | 0.378 | S | S | . | . | trans | -138 | 68.2 | -177.1 | -59.7 | -177.8 | -169.4 | 168.3 | 0 | 111.4 | T724 E728 Q729 F730 | T724-K726 PolarHBondContact O-N 2.94Å; T724-K726 PolarHBondContact OG1-N 3.45Å; K726-E728 PolarHBondContact O-N 2.93Å; K726-E728 VanDerWaalsContact O-N 3.11Å; K726-Q729 HydrophobicContact CB-CB 4.09Å; K726-Q729 HydrophobicContact CB-CG 4.19Å; K726-Q729 HydrophobicContact CD-CG 4.45Å; K726-Q729 PolarHBondContact O-N 3.36Å; K726-F730 PolarHBondContact O-N 3.4Å; K726-F730 VanDerWaalsContact O-N 3.15Å | ||
| 727 | P | 75.6 | Confident | 79.8 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54.6 | -34.1 | -176.7 | 20.3 | -32.7 | 0 | 0 | 0 | 113.6 | W720 T724 Q729 F730 L731 | W720-P727 HydrophobicContact CB-CB 4.38Å; T724-P727 HydrophobicContact CG2-CB 4.44Å; P727-Q729 VanDerWaalsContact C-N 3.29Å; P727-Q729 PolarHBondContact O-N 2.84Å; P727-F730 PolarHBondContact O-N 3.49Å; P727-L731 WeakPolarHBondContact O-CB 3.31Å; P727-L731 VanDerWaalsContact O-CG 3.27Å; P727-L731 WeakPolarHBondContact O-CG 3.27Å; P727-L731 PolarHBondContact O-N 3.3Å |
| 728 | E | 74 | Confident | 80.4 | Confident | 166 Ų | 166 | 62.1 Ų | 62.1 | 78% | 0.776 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -32.2 | 174.2 | -63.2 | -175.1 | 170.6 | 0 | 0 | 113.9 | K726 | K726-E728 PolarHBondContact O-N 2.93Å; K726-E728 VanDerWaalsContact O-N 3.11Å |
| 729 | Q | 73.7 | Confident | 80.9 | Confident | 117 Ų | 117 | 62.5 Ų | 62.5 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -84.6 | -25 | 176.8 | -62.2 | -166.2 | -27.4 | 0 | 0 | 112.4 | K726 P727 T732 | K726-Q729 HydrophobicContact CB-CB 4.09Å; K726-Q729 HydrophobicContact CB-CG 4.19Å; K726-Q729 HydrophobicContact CD-CG 4.45Å; K726-Q729 PolarHBondContact O-N 3.36Å; P727-Q729 VanDerWaalsContact C-N 3.29Å; P727-Q729 PolarHBondContact O-N 2.84Å; Q729-T732 PolarHBondContact O-OG1 3.15Å |
| 730 | F | 79 | Confident | 81.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.7 | -38.8 | 172.4 | -175.3 | -92.7 | 0 | 0 | 0 | 111.6 | I697 E702 L707 W720 I723 T724 K726 P727 T732 K733 L734 | I697-F730 HydrophobicContact CG2-CZ 4.41Å; E702-F730 HydrophobicContact CB-CE2 4.41Å; E702-F730 HydrophobicContact CG-CD2 3.73Å; E702-F730 HydrophobicContact CG-CE2 3.89Å; L707-F730 HydrophobicContact CD2-CE1 4.17Å; L707-F730 HydrophobicContact CD2-CZ 3.7Å; W720-F730 HydrophobicContact CB-CD1 4.44Å; W720-F730 HydrophobicContact CD2-CD1 4.11Å; W720-F730 AromaticContact CD2-CE1 3.72Å; W720-F730 HydrophobicContact CD2-CE1 3.72Å; W720-F730 HydrophobicContact CE3-CD1 4.18Å; W720-F730 AromaticContact CE3-CE1 3.44Å; W720-F730 HydrophobicContact CE3-CE1 3.44Å; W720-F730 VanDerWaalsContact CE3-CE1 3.44Å; W720-F730 HydrophobicContact CE3-CZ 4.07Å; W720-F730 HydrophobicContact CG-CD1 4.23Å; W720-F730 HydrophobicContact CG-CE1 4.32Å; W720-F730 HydrophobicContact CH2-CE1 4.33Å; W720-F730 AromaticContact CZ3-CE1 3.79Å; W720-F730 HydrophobicContact CZ3-CE1 3.79Å; W720-F730 HydrophobicContact CZ3-CZ 4.17Å; I723-F730 HydrophobicContact CG2-CE2 4.23Å; I723-F730 HydrophobicContact CG2-CZ 4.5Å; T724-F730 HydrophobicContact CG2-CB 3.49Å; T724-F730 VanDerWaalsContact CG2-CB 3.49Å; T724-F730 HydrophobicContact CG2-CD2 4.18Å; T724-F730 HydrophobicContact CG2-CG 3.89Å; K726-F730 PolarHBondContact O-N 3.4Å; K726-F730 VanDerWaalsContact O-N 3.15Å; P727-F730 PolarHBondContact O-N 3.49Å; F730-T732 PolarHBondContact O-N 3.15Å; F730-K733 WeakPolarHBondContact O-CA 3.39Å; F730-K733 WeakPolarHBondContact O-CB 3.33Å; F730-K733 PolarHBondContact O-N 3.04Å; F730-L734 HydrophobicContact CE1-CD1 4.42Å; F730-L734 PolarHBondContact O-N 2.86Å |
| 731 | L | 78.3 | Confident | 81.8 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.6 | 177.8 | -78.4 | 165.4 | 0 | 0 | 0 | 113.7 | P727 K733 L734 | P727-L731 WeakPolarHBondContact O-CB 3.31Å; P727-L731 VanDerWaalsContact O-CG 3.27Å; P727-L731 WeakPolarHBondContact O-CG 3.27Å; P727-L731 PolarHBondContact O-N 3.3Å; L731-K733 VanDerWaalsContact C-N 3.3Å; L731-L734 HydrophobicContact CD2-CD2 4.33Å; L731-L734 PolarHBondContact O-N 2.56Å |
| 732 | T | 77.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.5 | 174.5 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | Q729 F730 | Q729-T732 PolarHBondContact O-OG1 3.15Å; F730-T732 PolarHBondContact O-N 3.15Å |
| 733 | K | 88 | Confident | 83.7 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 16% | 0.157 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -14.3 | 173.2 | -56.3 | 178.9 | 173.2 | -179.4 | 0 | 113.1 | E702 P703 R704 L705 A706 L707 F730 L731 | E702-K733 IonicContact OE1-NZ 3.73Å; E702-K733 PolarHBondContact OE1-NZ 3.17Å; P703-K733 WeakPolarHBondContact O-CD 3.42Å; P703-K733 PolarHBondContact O-NZ 3.24Å; R704-K733 WeakPolarHBondContact O-CE 3.33Å; R704-K733 PolarHBondContact O-NZ 3.2Å; L705-K733 WeakPolarHBondContact O-CB 3.3Å; L705-K733 WeakPolarHBondContact O-CG 3.23Å; A706-K733 CarbonylContact C-O 3.59Å; A706-K733 VanDerWaalsContact CA-O 3.31Å; A706-K733 WeakPolarHBondContact CA-O 3.43Å; L707-K733 PolarHBondContact N-O 3.41Å; F730-K733 WeakPolarHBondContact O-CA 3.39Å; F730-K733 WeakPolarHBondContact O-CB 3.33Å; F730-K733 PolarHBondContact O-N 3.04Å; L731-K733 VanDerWaalsContact C-N 3.3Å |
| 734 | L | 92 | Very high | 84.6 | Confident | 12 Ų | 12 | 65 Ų | 65 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 127 | -173.4 | -168.2 | 71 | 0 | 0 | 0 | 110.2 | L707 L709 Y714 W720 F730 L731 | L707-L734 HydrophobicContact CB-CD1 4.08Å; L707-L734 HydrophobicContact CD2-CD1 3.57Å; L707-L734 HydrophobicContact CG-CD1 3.79Å; L709-L734 HydrophobicContact CD1-CD1 3.93Å; L709-L734 HydrophobicContact CG-CD1 4.27Å; Y714-L734 HydrophobicContact CD2-CD2 4Å; Y714-L734 HydrophobicContact CD2-CG 3.86Å; Y714-L734 HydrophobicContact CE2-CB 4.31Å; Y714-L734 HydrophobicContact CE2-CD2 3.78Å; Y714-L734 HydrophobicContact CE2-CG 3.7Å; W720-L734 HydrophobicContact CH2-CD1 4.31Å; W720-L734 HydrophobicContact CZ2-CD1 4.09Å; W720-L734 HydrophobicContact CZ2-CD2 3.78Å; F730-L734 HydrophobicContact CE1-CD1 4.42Å; F730-L734 PolarHBondContact O-N 2.86Å; L731-L734 HydrophobicContact CD2-CD2 4.33Å; L731-L734 PolarHBondContact O-N 2.56Å |
| 735 | H | 93.9 | Very high | 85.4 | Confident | 54 Ų | 54 | 65 Ų | 65 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 123.7 | -177.6 | -60.6 | -46.7 | 0 | 0 | 0 | 112 | L707 I708 L709 L743 | L707-H735 PolarHBondContact O-N 3.03Å; I708-H735 WeakPolarHBondContact CA-O 3.42Å; I708-H735 HydrophobicContact CG1-CB 4.41Å; L709-H735 PolarHBondContact N-O 2.92Å; H735-L743 HydrophobicContact CB-CD1 4.38Å; H735-L743 HydrophobicContact CB-CD2 3.68Å |
| 736 | G | 93 | Very high | 86.2 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111 | L709 Q741 | L709-G736 CarbonylContact O-C 3.52Å; L709-G736 WeakPolarHBondContact O-CA 3.3Å; G736-Q741 PolarHBondContact O-NE2 3.47Å |
| 737 | I | 94.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 108 | 168.9 | -165.9 | 171.4 | 0 | 0 | 0 | 110.8 | L11 R13 Y23 I708 L709 Q711 Q741 L743 | L11-I737 HydrophobicContact CB-CD1 4.37Å; L11-I737 HydrophobicContact CD2-CD1 3.93Å; L11-I737 HydrophobicContact CG-CD1 3.97Å; L11-I737 WeakPolarHBondContact O-CD1 3.44Å; R13-I737 HydrophobicContact CB-CD1 4.09Å; R13-I737 HydrophobicContact CB-CG1 4.07Å; R13-I737 PolarHBondContact NH1-O 3.11Å; Y23-I737 HydrophobicContact CE1-CD1 4.43Å; Y23-I737 HydrophobicContact CE1-CG2 3.86Å; I708-I737 HydrophobicContact CG2-CB 4.12Å; I708-I737 HydrophobicContact CG2-CG2 3.76Å; L709-I737 PolarHBondContact O-N 3.44Å; Q711-I737 PolarHBondContact N-O 3.05Å; I737-Q741 HydrophobicContact CG1-CB 4.26Å; I737-L743 HydrophobicContact CD1-CB 4.35Å |
| 738 | S | 91.5 | Very high | 86.1 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | trans | -79 | 164.6 | 172.9 | 61 | 0 | 0 | 0 | 0 | 111.5 | Q741 | S738-Q741 VanDerWaalsContact O-CB 3.3Å; S738-Q741 WeakPolarHBondContact O-CB 3.39Å; S738-Q741 PolarHBondContact O-N 3.34Å; S738-Q741 WeakPolarHBondContact OG-CB 3.47Å; S738-Q741 PolarHBondContact OG-OE1 3.24Å | ||
| 739 | Y | 87.9 | Confident | 85.3 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 141.2 | 174.3 | 162.8 | -105.6 | 0 | 0 | 0 | 111.6 | L14 T16 K92 S94 E95 Q741 | L14-Y739 WeakPolarHBondContact O-CE2 3.43Å; T16-Y739 HydrophobicContact CG2-CD1 3.8Å; T16-Y739 HydrophobicContact CG2-CD2 3.5Å; T16-Y739 VanDerWaalsContact CG2-CD2 3.5Å; T16-Y739 HydrophobicContact CG2-CE1 3.86Å; T16-Y739 HydrophobicContact CG2-CE2 3.56Å; T16-Y739 HydrophobicContact CG2-CG 3.61Å; K92-Y739 VanDerWaalsContact CD-OH 3.31Å; K92-Y739 WeakPolarHBondContact CD-OH 3.39Å; S94-Y739 PolarHBondContact OG-OH 3.08Å; E95-Y739 HydrophobicContact CG-CE2 3.79Å; E95-Y739 WeakPolarHBondContact CG-OH 3.32Å; E95-Y739 PolarHBondContact OE1-OH 2.83Å; Y739-Q741 PolarHBondContact O-N 3.17Å |
| 740 | H | 87 | Confident | 84.3 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -15.5 | -175.5 | -163 | 91.8 | 0 | 0 | 0 | 115.7 | R12 R13 E95 Q742 | R12-H740 PolarHBondContact NH2-CE1 3.18Å; R12-H740 VanDerWaalsContact NH2-CE1 3.34Å; R12-H740 PolarHBondContact NH2-ND1 2.78Å; R13-H740 PolarHBondContact O-N 2.96Å; R13-H740 VanDerWaalsContact O-N 3.11Å; E95-H740 IonicContact OE1-CE1 2.95Å; E95-H740 IonicContact OE1-CG 2.67Å; E95-H740 IonicContact OE1-ND1 2.74Å; E95-H740 PolarHBondContact OE1-ND1 3.13Å; E95-H740 IonicContact OE2-CE1 2.93Å; E95-H740 IonicContact OE2-CG 3.78Å; E95-H740 IonicContact OE2-ND1 3.66Å; E95-H740 PolarHBondContact OE2-ND1 3.46Å; H740-Q742 PolarHBondContact O-N 2.98Å |
| 741 | Q | 89.4 | Confident | 82.8 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | trans | -63.6 | 132.3 | 177.9 | -175.7 | -175.2 | -17.9 | 0 | 0 | 111.1 | R12 R13 G736 I737 S738 Y739 | R12-Q741 WeakPolarHBondContact CA-O 3.41Å; R13-Q741 PolarHBondContact N-O 3.09Å; G736-Q741 PolarHBondContact O-NE2 3.47Å; I737-Q741 HydrophobicContact CG1-CB 4.26Å; S738-Q741 VanDerWaalsContact O-CB 3.3Å; S738-Q741 WeakPolarHBondContact O-CB 3.39Å; S738-Q741 PolarHBondContact O-N 3.34Å; S738-Q741 WeakPolarHBondContact OG-CB 3.47Å; S738-Q741 PolarHBondContact OG-OE1 3.24Å; Y739-Q741 PolarHBondContact O-N 3.17Å | ||
| 742 | Q | 91.6 | Very high | 81.3 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.9 | 169 | -177.1 | 171.8 | -35.3 | 0 | 0 | 109.1 | M10 L11 R12 H740 | M10-Q742 PolarHBondContact SD-NE2 2.7Å; L11-Q742 CarbonylContact O-C 3.54Å; L11-Q742 WeakPolarHBondContact O-CA 3.3Å; R12-Q742 HydrophobicContact CB-CB 4.17Å; R12-Q742 HydrophobicContact CB-CG 4.3Å; R12-Q742 HydrophobicContact CG-CB 4.3Å; H740-Q742 PolarHBondContact O-N 2.98Å |
| 743 | L | 93.3 | Very high | 79.5 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 138.8 | 171.5 | -171.6 | 69.3 | 0 | 0 | 0 | 109.3 | M10 L11 I708 H735 I737 I745 | M10-L743 WeakPolarHBondContact CA-O 3.5Å; L11-L743 PolarHBondContact N-O 3.02Å; L11-L743 PolarHBondContact O-N 2.7Å; I708-L743 HydrophobicContact CD1-CD2 3.76Å; I708-L743 HydrophobicContact CG1-CD2 3.77Å; I708-L743 HydrophobicContact CG2-CD2 4.22Å; H735-L743 HydrophobicContact CB-CD1 4.38Å; H735-L743 HydrophobicContact CB-CD2 3.68Å; I737-L743 HydrophobicContact CD1-CB 4.35Å; L743-I745 HydrophobicContact CD2-CD1 3.98Å; L743-I745 HydrophobicContact CD2-CG1 4.24Å; L743-I745 HydrophobicContact CG-CG1 4.32Å |
| 744 | C | 93 | Very high | 77.2 | Confident | 67 Ų | 67 | 63.2 Ų | 63.2 | 45% | 0.453 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115 | 176 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | L9 M10 | L9-C744 WeakPolarHBondContact O-CA 3.47Å; M10-C744 HydrophobicContact CG-CB 4.42Å |
| 745 | I | 91.4 | Very high | 74.6 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.072 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.8 | 177.8 | -66.2 | 164.6 | 0 | 0 | 0 | 108.3 | K8 L9 V269 A706 I708 L743 L747 | K8-I745 WeakPolarHBondContact CA-O 3.4Å; L9-I745 HydrophobicContact CB-CB 4.42Å; L9-I745 HydrophobicContact CD2-CD1 4.43Å; L9-I745 PolarHBondContact N-O 3.2Å; L9-I745 PolarHBondContact O-N 3.26Å; V269-I745 HydrophobicContact CG1-CD1 4.21Å; A706-I745 HydrophobicContact CB-CD1 3.54Å; A706-I745 HydrophobicContact CB-CG1 4.45Å; I708-I745 HydrophobicContact CD1-CD1 3.65Å; I708-I745 HydrophobicContact CG1-CD1 4.12Å; L743-I745 HydrophobicContact CD2-CD1 3.98Å; L743-I745 HydrophobicContact CD2-CG1 4.24Å; L743-I745 HydrophobicContact CG-CG1 4.32Å; I745-L747 PolarHBondContact O-N 3.07Å |
| 746 | Q | 86.2 | Confident | 71.9 | Confident | 115 Ų | 115 | 71 Ų | 71 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 117.8 | 176.5 | -166 | 69.1 | 36.9 | 0 | 0 | 109.7 | N7 | N7-Q746 PolarHBondContact O-NE2 3.18Å; N7-Q746 VanDerWaalsContact O-NE2 3.07Å |
| 747 | L | 81.7 | Confident | 69.3 | Low | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 134.7 | 176.2 | -55.9 | 171.9 | 0 | 0 | 0 | 109 | N7 L9 I27 E241 L705 I745 | N7-L747 WeakPolarHBondContact O-CB 3.31Å; N7-L747 PolarHBondContact O-N 2.7Å; L9-L747 HydrophobicContact CB-CD1 4.13Å; L9-L747 HydrophobicContact CB-CD2 3.98Å; L9-L747 HydrophobicContact CB-CG 4.18Å; I27-L747 HydrophobicContact CD1-CD1 4.49Å; I27-L747 HydrophobicContact CG1-CD1 4.29Å; E241-L747 HydrophobicContact CG-CB 4.24Å; E241-L747 HydrophobicContact CG-CD1 3.95Å; E241-L747 HydrophobicContact CG-CD2 4Å; E241-L747 HydrophobicContact CG-CG 4.26Å; L705-L747 HydrophobicContact CD1-CD2 4.2Å; I745-L747 PolarHBondContact O-N 3.07Å |
| 748 | P | 70.2 | Confident | 66.8 | Low | 46 Ų | 46 | 74.5 Ų | 74.5 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 125.7 | 178.8 | 29.6 | -32.5 | 0 | 0 | 0 | 110.5 | L705 T750 | L705-P748 HydrophobicContact CD1-CG 4.32Å; L705-P748 HydrophobicContact CD2-CG 4.31Å; P748-T750 PolarHBondContact O-N 3.02Å |
| 749 | E | 58.3 | Low | 64.5 | Low | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -47.9 | -22 | -174.7 | -78.6 | -175.7 | -178.4 | 0 | 0 | 116.6 | N7 R839 | N7-E749 VanDerWaalsContact ND2-CG 3.32Å; N7-E749 WeakPolarHBondContact ND2-CG 3.47Å; N7-E749 PolarHBondContact ND2-OE1 3.08Å; E749-R839 IonicContact OE2-CZ 3.76Å; E749-R839 IonicContact OE2-NH2 3.81Å; E749-R839 PolarHBondContact OE2-NH2 3.09Å |
| 750 | T | 53 | Low | 62.3 | Low | 51 Ų | 51 | 82.8 Ų | 82.8 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | trans | -145.5 | 123.5 | 176.4 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | P748 R839 | P748-T750 PolarHBondContact O-N 3.02Å; T750-R839 HydrophobicContact CG2-CB 4.35Å; T750-R839 HydrophobicContact CG2-CG 3.54Å | ||
| 751 | R | 47.1 | Very low | 60.3 | Low | 74 Ų | 74 | 79 Ų | 79 | 28% | 0.279 | 40% | 0.396 | S | S | . | . | trans | -73.9 | 142.6 | 151.1 | -170.7 | 167.1 | -179.3 | 141 | -0.7 | 108.3 | T240 D266 D268 | T240-R751 HydrophobicContact CG2-CB 4.23Å; T240-R751 WeakPolarHBondContact O-CD 3.28Å; D266-R751 PolarHBondContact O-NH1 3.27Å; D266-R751 PolarHBondContact O-NH2 2.8Å; D266-R751 IonicContact OD2-NH2 2.94Å; D266-R751 PolarHBondContact OD2-NH2 3.2Å; D268-R751 IonicContact OD1-NH1 3.65Å; D268-R751 IonicContact OD2-NH1 3.74Å; D268-R751 PolarHBondContact OD2-NH1 2.84Å | ||
| 752 | L | 47.1 | Very low | 58.2 | Low | 105 Ų | 105 | 80.9 Ų | 80.9 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | trans | -83.3 | 110.8 | 167.6 | -74.4 | 167.2 | 0 | 0 | 0 | 107.4 | V832 A837 | L752-V832 HydrophobicContact CD1-CB 4.12Å; L752-V832 HydrophobicContact CD1-CG1 4.38Å; L752-V832 HydrophobicContact CD1-CG2 3.87Å; L752-A837 HydrophobicContact CD2-CB 4Å | ||
| 753 | E | 40.5 | Very low | 55.8 | Low | 124 Ų | 124 | 83.3 Ų | 83.3 | 58% | 0.579 | 42% | 0.418 | S | S | * | . | trans | -73 | 144.4 | 173.3 | -67.3 | -166.8 | 138.6 | 0 | 0 | 111.4 | I755 | E753-I755 PolarHBondContact O-N 3.12Š| ||
| 754 | Q | 37.8 | Very low | 53.3 | Low | 162 Ų | 162 | 89.8 Ų | 89.8 | 76% | 0.757 | 45% | 0.448 | S | S | * | . | trans | -84.4 | 86.8 | 176.3 | -72.9 | -170.7 | 3.5 | 0 | 0 | 111.3 | H756 M835 | Q754-H756 PolarHBondContact O-N 2.9Å; Q754-M835 VanDerWaalsContact CA-CE 3.48Å; Q754-M835 HydrophobicContact CB-CE 3.89Å; Q754-M835 HydrophobicContact CG-CE 4.14Å | ||
| 755 | I | 39.2 | Very low | 50.9 | Low | 71 Ų | 71 | 90.1 Ų | 90.1 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | trans | -76.3 | 112.1 | 172.1 | -59.3 | 171.7 | 0 | 0 | 0 | 109.3 | E753 L757 M835 | E753-I755 PolarHBondContact O-N 3.12Å; I755-L757 HydrophobicContact CG2-CD2 4.22Å; I755-L757 PolarHBondContact O-N 3.15Å; I755-M835 WeakPolarHBondContact O-CE 3.46Å | ||
| 756 | H | 36.2 | Very low | 48.3 | Very low | 158 Ų | 158 | 98.3 Ų | 98.3 | 73% | 0.731 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 122.8 | 172.1 | -86 | 78.4 | 0 | 0 | 0 | 110.1 | Q754 | Q754-H756 PolarHBondContact O-N 2.9Š|
| 757 | L | 39.3 | Very low | 45.8 | Very low | 39 Ų | 39 | 97.5 Ų | 97.5 | 20% | 0.204 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 131.2 | 177 | -63.7 | 177.3 | 0 | 0 | 0 | 110.2 | I755 L761 M835 | I755-L757 HydrophobicContact CG2-CD2 4.22Å; I755-L757 PolarHBondContact O-N 3.15Å; L757-L761 HydrophobicContact CB-CD2 4.44Å; L757-L761 HydrophobicContact CD1-CD2 4.38Å; L757-L761 HydrophobicContact CD2-CD2 4.12Å; L757-M835 HydrophobicContact CD1-CG 4.19Å |
| 758 | S | 40.2 | Very low | 43.5 | Very low | 43 Ų | 43 | 101.5 Ų | 101.5 | 30% | 0.301 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 140.3 | 179.7 | 77.9 | 0 | 0 | 0 | 0 | 112.2 | K760 L761 | S758-K760 PolarHBondContact O-N 2.83Å; S758-L761 VanDerWaalsContact O-CB 3.26Å; S758-L761 WeakPolarHBondContact O-CB 3.35Å; S758-L761 PolarHBondContact O-N 3.36Å |
| 759 | T | 44 | Very low | 41.5 | Very low | 104 Ų | 104 | 108.8 Ų | 108.8 | 64% | 0.638 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.2 | -19.8 | -176 | 54 | 0 | 0 | 0 | 0 | 113.9 | H763 | T759-H763 PolarHBondContact O-ND1 3.28Å |
| 760 | K | 42.5 | Very low | 40.1 | Very low | 170 Ų | 170 | 109 Ų | 109 | 74% | 0.739 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 172.1 | -66.5 | 175.6 | -178.7 | 171.5 | 0 | 112.5 | S758 H764 | S758-K760 PolarHBondContact O-N 2.83Å; K760-H764 PolarHBondContact O-ND1 3.36Å |
| 761 | L | 43.2 | Very low | 38.8 | Very low | 15 Ų | 15 | 115.7 Ų | 115.7 | 8% | 0.079 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -69.8 | -45.1 | 179.2 | -154.4 | 84.2 | 0 | 0 | 0 | 110.8 | L757 S758 H763 H764 I765 L1011 S1015 | L757-L761 HydrophobicContact CB-CD2 4.44Å; L757-L761 HydrophobicContact CD1-CD2 4.38Å; L757-L761 HydrophobicContact CD2-CD2 4.12Å; S758-L761 VanDerWaalsContact O-CB 3.26Å; S758-L761 WeakPolarHBondContact O-CB 3.35Å; S758-L761 PolarHBondContact O-N 3.36Å; L761-H763 VanDerWaalsContact C-N 3.27Å; L761-H763 PolarHBondContact O-N 3.26Å; L761-H764 PolarHBondContact O-N 2.82Å; L761-I765 HydrophobicContact CD2-CD1 3.88Å; L761-I765 HydrophobicContact CG-CD1 3.87Å; L761-I765 PolarHBondContact O-N 2.97Å; L761-L1011 HydrophobicContact CD1-CD2 4.46Å; L761-S1015 WeakPolarHBondContact CD1-OG 3.41Å |
| 762 | I | 45.4 | Very low | 37.9 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.6 | -38.2 | -177.4 | -59.3 | 176.7 | 0 | 0 | 0 | 111.8 | H764 I765 | I762-H764 PolarHBondContact O-N 3.15Å; I762-I765 PolarHBondContact O-N 3.33Å |
| 763 | H | 41.1 | Very low | 37 | Very low | 158 Ų | 158 | 123 Ų | 123 | 73% | 0.731 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -16.4 | 179.1 | -77.9 | 83.5 | 0 | 0 | 0 | 114.8 | T759 L761 | T759-H763 PolarHBondContact O-ND1 3.28Å; L761-H763 VanDerWaalsContact C-N 3.27Å; L761-H763 PolarHBondContact O-N 3.26Å |
| 764 | H | 41.2 | Very low | 36.4 | Very low | 160 Ų | 160 | 125 Ų | 125 | 74% | 0.741 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -9.4 | -176.2 | -65.9 | 91.4 | 0 | 0 | 0 | 113.7 | K760 L761 I762 | K760-H764 PolarHBondContact O-ND1 3.36Å; L761-H764 PolarHBondContact O-N 2.82Å; I762-H764 PolarHBondContact O-N 3.15Å |
| 765 | I | 43 | Very low | 35.9 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 37% | 0.374 | 60% | 0.602 | S | S | . | * | trans | -100.4 | 111.1 | -178.4 | -64 | 172.1 | 0 | 0 | 0 | 109.5 | L761 I762 | L761-I765 HydrophobicContact CD2-CD1 3.88Å; L761-I765 HydrophobicContact CG-CD1 3.87Å; L761-I765 PolarHBondContact O-N 2.97Å; I762-I765 PolarHBondContact O-N 3.33Å | ||
| 766 | K | 35.9 | Very low | 35.3 | Very low | 186 Ų | 186 | 126 Ų | 126 | 81% | 0.809 | 62% | 0.621 | S | S | * | * | trans | -69.4 | 143.4 | 161.7 | -77.6 | -176.2 | 176.5 | 178 | 0 | 109.5 | I768 | K766-I768 PolarHBondContact O-N 3.03Š| ||
| 767 | P | 34.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | trans | -62.3 | 119.9 | -179.4 | 24.9 | -34 | 0 | 0 | 0 | 111.2 | Y769 | P767-Y769 HydrophobicContact CB-CE2 4.27Å; P767-Y769 HydrophobicContact CG-CE2 4.28Å; P767-Y769 PolarHBondContact O-N 2.92Å | ||
| 768 | I | 33.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 44% | 0.441 | 66% | 0.655 | S | S | . | * | trans | -81.7 | 107.8 | -176.8 | -53.9 | 175.3 | 0 | 0 | 0 | 109.5 | K766 I770 L831 | K766-I768 PolarHBondContact O-N 3.03Å; I768-I770 HydrophobicContact CG2-CG1 4.03Å; I768-I770 PolarHBondContact O-N 3.24Å; I768-L831 HydrophobicContact CB-CD1 3.82Å; I768-L831 HydrophobicContact CD1-CD1 4.18Å; I768-L831 HydrophobicContact CG1-CD1 4.18Å | ||
| 769 | Y | 27.9 | Very low | 34 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 78% | 0.784 | 68% | 0.682 | S | S | * | * | trans | -88.6 | 92 | 174.7 | -80.3 | -86.5 | 0 | 0 | 0 | 111.4 | P767 K771 | P767-Y769 HydrophobicContact CB-CE2 4.27Å; P767-Y769 HydrophobicContact CG-CE2 4.28Å; P767-Y769 PolarHBondContact O-N 2.92Å; Y769-K771 PolarHBondContact O-N 3.38Å | ||
| 770 | I | 29.3 | Very low | 33.3 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | trans | -72.2 | 89.5 | 175.5 | -51.6 | 179.3 | 0 | 0 | 0 | 110 | I768 L772 I829 | I768-I770 HydrophobicContact CG2-CG1 4.03Å; I768-I770 PolarHBondContact O-N 3.24Å; I770-L772 HydrophobicContact CG2-CD1 4.27Å; I770-L772 PolarHBondContact O-N 3.08Å; I770-I829 WeakPolarHBondContact CD1-O 3.3Å | ||
| 771 | K | 25.7 | Very low | 32.7 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -70.4 | 107.2 | 163.7 | -77.4 | -177.7 | 176.8 | 175.6 | 0 | 109.3 | Y769 K773 | Y769-K771 PolarHBondContact O-N 3.38Å; K771-K773 PolarHBondContact O-N 3.3Å | ||
| 772 | L | 27.5 | Very low | 32.2 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | trans | -61.8 | 110.1 | 161.2 | -91.6 | 76.7 | 0 | 0 | 0 | 108.4 | I770 Q774 | I770-L772 HydrophobicContact CG2-CD1 4.27Å; I770-L772 PolarHBondContact O-N 3.08Å; L772-Q774 PolarHBondContact O-N 3Å | ||
| 773 | K | 27.5 | Very low | 31.4 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 79% | 0.787 | 73% | 0.734 | S | S | * | * | trans | -66.2 | 99.7 | 160.2 | -77.5 | -173.6 | 176 | 179 | 0 | 107.3 | K771 S775 | K771-K773 PolarHBondContact O-N 3.3Å; K773-S775 PolarHBondContact O-N 3.27Å | ||
| 774 | Q | 28.4 | Very low | 30.9 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | trans | -58.6 | 123.2 | 163.4 | -75.4 | 179.5 | -31.3 | 0 | 0 | 108 | L772 N776 | L772-Q774 PolarHBondContact O-N 3Å; Q774-N776 PolarHBondContact O-N 3.22Å | ||
| 775 | S | 27.7 | Very low | 30.2 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -80.1 | 68.1 | 176.8 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | K773 E777 | K773-S775 PolarHBondContact O-N 3.27Å; S775-E777 PolarHBondContact O-N 2.87Å | ||
| 776 | N | 27.2 | Very low | 29.8 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 96.9 | 161.1 | -74.3 | 4.3 | 0 | 0 | 0 | 107.4 | Q774 | Q774-N776 PolarHBondContact O-N 3.22Š| ||
| 777 | E | 31.9 | Very low | 29.4 | Very low | 191 Ų | 191 | 144 Ų | 144 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -63.1 | 144.3 | 161 | -65.8 | -169.9 | 142.6 | 0 | 0 | 109.1 | S775 | S775-E777 PolarHBondContact O-N 2.87Š| ||
| 778 | G | 27.6 | Very low | 29.1 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -78.5 | 142.4 | -153.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 779 | I | 28.2 | Very low | 28.7 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -119.2 | 114.4 | 144.1 | -60.9 | 179.7 | 0 | 0 | 0 | 106.1 | ||||
| 780 | E | 29.9 | Very low | 28.8 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | -73.3 | 128.8 | 179.8 | -65.2 | -175.8 | 134.2 | 0 | 0 | 111.3 | N782 | E780-N782 PolarHBondContact O-N 2.71Š| ||
| 781 | P | 30 | Very low | 28.8 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -82.4 | 103 | 169 | 32.1 | -30.6 | 0 | 0 | 0 | 110.1 | D783 | P781-D783 PolarHBondContact O-N 2.83Š| ||
| 782 | N | 31.2 | Very low | 28.9 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -75.3 | 115.3 | 166.1 | -85.3 | -74.7 | 0 | 0 | 0 | 110.1 | E780 | E780-N782 PolarHBondContact O-N 2.71Š| ||
| 783 | D | 28.8 | Very low | 28.9 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | -100.4 | 129.9 | 167 | -170.2 | -7.4 | 0 | 0 | 0 | 108.2 | P781 L785 | P781-D783 PolarHBondContact O-N 2.83Å; D783-L785 PolarHBondContact OD1-N 2.9Å | ||
| 784 | P | 32.2 | Very low | 29 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | -144.5 | 114 | 116.5 | 33.9 | -17.7 | 0 | 0 | 0 | 114.7 | |||||
| 785 | L | 26.5 | Very low | 29.1 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | 25 | 102.3 | 127 | -67.8 | 167.9 | 0 | 0 | 0 | 117.6 | D783 | D783-L785 PolarHBondContact OD1-N 2.9Š| |||
| 786 | K | 32.9 | Very low | 29.1 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | -173.7 | 124.6 | 123.4 | -106.5 | 166.4 | -178.7 | 177.8 | 0 | 117 | |||||
| 787 | E | 28.1 | Very low | 29.3 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | trans | 45.2 | 121.5 | 134.4 | -66.9 | -168.6 | 97.7 | 0 | 0 | 123.5 | ||||
| 788 | K | 28.4 | Very low | 29.1 | Very low | 156 Ų | 156 | 140.3 Ų | 140.3 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | 85.8 | 109.8 | 127.9 | -74.2 | 172.8 | 175.7 | 153 | 0 | 121.8 | |||||
| 789 | N | 26.4 | Very low | 29 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | 94.9 | 138.3 | 118.4 | -68.4 | 0.7 | 0 | 0 | 0 | 122 | |||||
| 790 | N | 28.9 | Very low | 29 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 86 | 102.8 | 144 | -70.6 | -6 | 0 | 0 | 0 | 121.8 | ||||
| 791 | K | 29 | Very low | 28.8 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | 78.6 | 122.2 | 115.1 | -81.8 | 177.9 | 159.3 | -82.6 | 0 | 121.2 | |||||
| 792 | E | 28.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 146 Ų | 146 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | 70.2 | 110.3 | 123.9 | -67.9 | 167.8 | 175.6 | 0 | 0 | 120.6 | |||||
| 793 | N | 27.5 | Very low | 28.2 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | 117.3 | 141.8 | 104.8 | -86.3 | 13.1 | 0 | 0 | 0 | 121.3 | |||||
| 794 | N | 30.8 | Very low | 28 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 80.7 | 103 | 147.9 | -73.2 | 43.3 | 0 | 0 | 0 | 121.8 | ||||
| 795 | D | 30.2 | Very low | 27.7 | Very low | 115 Ų | 115 | 154 Ų | 154 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | 102 | 115 | 105.3 | -72.4 | -4.8 | 0 | 0 | 0 | 122.9 | |||||
| 796 | N | 27.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | 66.5 | 108.6 | 126.9 | -62.1 | -42.1 | 0 | 0 | 0 | 121 | |||||
| 797 | K | 31.7 | Very low | 27.1 | Very low | 210 Ų | 210 | 152 Ų | 152 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | -164.5 | 167.9 | 93.2 | -106.3 | 169.7 | -176.6 | 173.6 | 0 | 114.8 | |||||
| 798 | E | 25.8 | Very low | 26.9 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | trans | -97.6 | 173 | -167.5 | -46.8 | 171.5 | 86.2 | 0 | 0 | 115.1 | ||||
| 799 | K | 25.7 | Very low | 26.7 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 70% | 0.7 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 137.6 | 150.7 | -74.3 | 150.2 | -174 | 155.5 | 0 | 116.2 | ||||
| 800 | N | 28.9 | Very low | 26.5 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | cis | -138.8 | 171.7 | 30.7 | -102.8 | -32.7 | 0 | 0 | 0 | 114.9 | ||||
| 801 | N | 24.8 | Very low | 26.2 | Very low | 152 Ų | 152 | 155 Ų | 155 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -77.8 | 152.5 | 171.3 | -57.9 | -54.9 | 0 | 0 | 0 | 112.1 | ||||
| 802 | E | 27.2 | Very low | 25.8 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | -160.1 | 143.4 | 112.5 | -114.5 | 178.2 | -160.5 | 0 | 0 | 111.8 | |||||
| 803 | K | 22.2 | Very low | 25.8 | Very low | 208 Ų | 208 | 156 Ų | 156 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -108.8 | 130.8 | 166.4 | -82 | -174.4 | 175.9 | -178.3 | 0 | 107.9 | ||||
| 804 | K | 25.7 | Very low | 25.5 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -142.9 | 141.3 | 158.6 | -147.2 | 170.2 | -174.3 | 177.4 | 0 | 111.2 | ||||
| 805 | I | 24.1 | Very low | 25.4 | Very low | 148 Ų | 148 | 159.1 Ų | 159.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -103.9 | 137.9 | 178.1 | -66 | 158.8 | 0 | 0 | 0 | 106.3 | ||||
| 806 | D | 24.8 | Very low | 25.1 | Very low | 157 Ų | 157 | 160.1 Ų | 160.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | -166.3 | 176.2 | 122.8 | -126.5 | -47.9 | 0 | 0 | 0 | 114.4 | |||||
| 807 | L | 23.4 | Very low | 25 | Very low | 137 Ų | 137 | 160.3 Ų | 160.3 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | -104.5 | 172.7 | -159.3 | -136.6 | 75.9 | 0 | 0 | 0 | 114.4 | ||||
| 808 | K | 23.8 | Very low | 24.6 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 74.5 | 150.8 | 165.3 | -63.2 | 171.2 | -177.7 | 176 | 0 | 117.3 | ||||
| 809 | S | 22.9 | Very low | 24.6 | Very low | 87 Ų | 87 | 157.2 Ų | 157.2 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | cis | -177.8 | 149.1 | -21.9 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 810 | L | 22.2 | Very low | 24.6 | Very low | 164 Ų | 164 | 159.1 Ų | 159.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 60.5 | 133.2 | 160.9 | -64.2 | 155.3 | 0 | 0 | 0 | 115.2 | ||||
| 811 | Q | 22.6 | Very low | 24.6 | Very low | 178 Ų | 178 | 157.9 Ų | 157.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | -163.3 | -169.9 | 52.2 | -138.8 | 170.5 | 12.6 | 0 | 0 | 111.8 | |||||
| 812 | M | 21.9 | Very low | 24.7 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 70% | 0.7 | 79% | 0.793 | S | S | * | * | trans | -46.2 | 151.8 | -172.8 | -55.7 | 178 | 80.9 | 0 | 0 | 117.6 | ||||
| 813 | N | 27.6 | Very low | 24.8 | Very low | 158 Ų | 158 | 156.8 Ų | 156.8 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | -150.3 | 129.3 | 119.7 | -105.1 | -34.6 | 0 | 0 | 0 | 111.6 | |||||
| 814 | Q | 22.3 | Very low | 25 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -93.2 | 125.8 | 161.8 | -74.8 | 178.5 | -33.8 | 0 | 0 | 108.2 | ||||
| 815 | I | 28.7 | Very low | 25.1 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -136.5 | 125.7 | 154.5 | -64.5 | -173.3 | 0 | 0 | 0 | 107.4 | ||||
| 816 | N | 22.7 | Very low | 25.2 | Very low | 135 Ų | 135 | 157.6 Ų | 157.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -70.1 | 149.3 | 176.3 | -60.3 | -27.9 | 0 | 0 | 0 | 111 | ||||
| 817 | N | 26.1 | Very low | 25.4 | Very low | 134 Ų | 134 | 160.3 Ų | 160.3 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | -172.1 | 128.6 | 121.1 | -91 | -30.6 | 0 | 0 | 0 | 111 | |||||
| 818 | N | 23.9 | Very low | 25.7 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | trans | 28.2 | 106.9 | 136.6 | -40.1 | -17.5 | 0 | 0 | 0 | 115.2 | ||||
| 819 | D | 25.2 | Very low | 26.2 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | -159.8 | 95.9 | 56.4 | -77.5 | -35.9 | 0 | 0 | 0 | 111 | V821 | D819-V821 PolarHBondContact O-N 3.1Š| |||
| 820 | E | 25.8 | Very low | 26.7 | Very low | 201 Ų | 201 | 153.9 Ų | 153.9 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | trans | -73.3 | 112.7 | 169.4 | -80.1 | -166.2 | 138.9 | 0 | 0 | 110.3 | I822 | E820-I822 PolarHBondContact O-N 3.46Š| ||
| 821 | V | 28.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 149 Ų | 149 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -51.9 | 125.9 | 176.6 | 174 | 0 | 0 | 0 | 0 | 110 | D819 E823 | D819-V821 PolarHBondContact O-N 3.1Å; V821-E823 VanDerWaalsContact C-N 3.3Å; V821-E823 PolarHBondContact O-N 3.15Å | ||
| 822 | I | 26.5 | Very low | 27.6 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | -64.7 | 94.2 | 169.4 | -59.2 | 175.2 | 0 | 0 | 0 | 108.1 | E820 K824 | E820-I822 PolarHBondContact O-N 3.46Å; I822-K824 HydrophobicContact CG2-CG 4.38Å; I822-K824 PolarHBondContact O-N 3.22Å | ||
| 823 | E | 28.9 | Very low | 28 | Very low | 170 Ų | 170 | 145 Ų | 145 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -60.6 | 89.5 | 164 | -83 | -147 | 130.9 | 0 | 0 | 108.8 | V821 K825 | V821-E823 VanDerWaalsContact C-N 3.3Å; V821-E823 PolarHBondContact O-N 3.15Å; E823-K825 PolarHBondContact O-N 2.84Å | ||
| 824 | K | 27.2 | Very low | 28 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | -60.8 | 92.1 | 161.2 | -71.5 | -179.8 | 178 | 175.6 | 0 | 106.8 | I822 R826 | I822-K824 HydrophobicContact CG2-CG 4.38Å; I822-K824 PolarHBondContact O-N 3.22Å; K824-R826 VanDerWaalsContact C-N 3.29Å; K824-R826 WeakPolarHBondContact O-CG 3.17Å; K824-R826 PolarHBondContact O-N 3.12Å | ||
| 825 | K | 27.3 | Very low | 28.4 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 79% | 0.787 | 70% | 0.698 | S | S | * | * | trans | -49.1 | 93.2 | 173.5 | -75.7 | -171.6 | 174.2 | -173.8 | 0 | 109 | E823 K827 | E823-K825 PolarHBondContact O-N 2.84Å; K825-K827 PolarHBondContact O-N 3.49Å | ||
| 826 | R | 26.7 | Very low | 28.7 | Very low | 220 Ų | 220 | 131.5 Ų | 131.5 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | trans | -66.9 | 125 | -178.3 | -74.1 | -178 | 175.4 | 170.6 | -0.7 | 106.9 | K824 C828 | K824-R826 VanDerWaalsContact C-N 3.29Å; K824-R826 WeakPolarHBondContact O-CG 3.17Å; K824-R826 PolarHBondContact O-N 3.12Å; R826-C828 PolarHBondContact O-N 3.37Å | ||
| 827 | K | 28.1 | Very low | 29.3 | Very low | 213 Ų | 213 | 126.6 Ų | 126.6 | 93% | 0.926 | 66% | 0.656 | S | S | * | * | trans | -70.2 | 81.3 | 175.3 | -66.3 | -171.9 | 177.4 | -170.1 | 0 | 108.9 | K825 | K825-K827 PolarHBondContact O-N 3.49Š| ||
| 828 | C | 31.2 | Very low | 29.7 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 72% | 0.716 | 65% | 0.653 | S | S | * | * | trans | -87.3 | 125.6 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 109.8 | R826 | R826-C828 PolarHBondContact O-N 3.37Š| ||
| 829 | I | 34.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 127 Ų | 127 | 59% | 0.59 | 65% | 0.65 | S | S | * | * | trans | -84.5 | 135.8 | 167.4 | -62.5 | 169.7 | 0 | 0 | 0 | 107.1 | I770 L836 | I770-I829 WeakPolarHBondContact CD1-O 3.3Å; I829-L836 HydrophobicContact CG2-CD2 3.41Å; I829-L836 VanDerWaalsContact CG2-CD2 3.41Å | ||
| 830 | A | 32.5 | Very low | 30.9 | Very low | 57 Ų | 57 | 123.3 Ų | 123.3 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 831 | L | 30.9 | Very low | 31.3 | Very low | 61 Ų | 61 | 116.6 Ų | 116.6 | 32% | 0.319 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.9 | 166.3 | -90.2 | 154.7 | 0 | 0 | 0 | 108.1 | I768 L836 | I768-L831 HydrophobicContact CB-CD1 3.82Å; I768-L831 HydrophobicContact CD1-CD1 4.18Å; I768-L831 HydrophobicContact CG1-CD1 4.18Å; L831-L836 HydrophobicContact CD2-CD2 4.41Å; L831-L836 HydrophobicContact CD2-CG 4.36Å; L831-L836 HydrophobicContact CG-CD2 4.24Å |
| 832 | V | 32.9 | Very low | 31.5 | Very low | 72 Ų | 72 | 119 Ų | 119 | 44% | 0.436 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.2 | 168.3 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | L752 G834 M835 | L752-V832 HydrophobicContact CD1-CB 4.12Å; L752-V832 HydrophobicContact CD1-CG1 4.38Å; L752-V832 HydrophobicContact CD1-CG2 3.87Å; V832-G834 PolarHBondContact O-N 2.59Å; V832-M835 PolarHBondContact O-N 2.75Å; V832-M835 VanDerWaalsContact O-N 3.15Å |
| 833 | N | 29.9 | Very low | 31.7 | Very low | 166 Ų | 166 | 118.8 Ų | 118.8 | 89% | 0.888 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.6 | 26.9 | -179.2 | -61.1 | -5.7 | 0 | 0 | 0 | 115.9 | ||
| 834 | G | 28.7 | Very low | 31.9 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 58% | 0.577 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.8 | 3.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | V832 | V832-G834 PolarHBondContact O-N 2.59Š|
| 835 | M | 30.8 | Very low | 32.1 | Very low | 63 Ų | 63 | 118.4 Ų | 118.4 | 31% | 0.31 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 153.5 | -177 | -73.6 | 154.9 | 52.5 | 0 | 0 | 113.3 | Q754 I755 L757 V832 | Q754-M835 VanDerWaalsContact CA-CE 3.48Å; Q754-M835 HydrophobicContact CB-CE 3.89Å; Q754-M835 HydrophobicContact CG-CE 4.14Å; I755-M835 WeakPolarHBondContact O-CE 3.46Å; L757-M835 HydrophobicContact CD1-CG 4.19Å; V832-M835 PolarHBondContact O-N 2.75Å; V832-M835 VanDerWaalsContact O-N 3.15Å |
| 836 | L | 34.4 | Very low | 32.1 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 38% | 0.377 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.8 | -176.7 | -76.1 | 166.4 | 0 | 0 | 0 | 110.6 | I829 L831 | I829-L836 HydrophobicContact CG2-CD2 3.41Å; I829-L836 VanDerWaalsContact CG2-CD2 3.41Å; L831-L836 HydrophobicContact CD2-CD2 4.41Å; L831-L836 HydrophobicContact CD2-CG 4.36Å; L831-L836 HydrophobicContact CG-CD2 4.24Å |
| 837 | A | 35.1 | Very low | 32.2 | Very low | 32 Ų | 32 | 108.8 Ų | 108.8 | 26% | 0.264 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L752 | L752-A837 HydrophobicContact CD2-CB 4Å |
| 838 | T | 35 | Very low | 32.2 | Very low | 107 Ų | 107 | 107.5 Ų | 107.5 | 66% | 0.656 | 59% | 0.588 | S | S | * | * | trans | -102.7 | 147.8 | 175.2 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | D840 | T838-D840 PolarHBondContact O-N 3.43Š| ||
| 839 | R | 36.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -95.6 | 27.4 | -166.5 | -155.7 | -160.7 | 133.5 | 148.1 | -2.3 | 115.3 | E749 T750 | E749-R839 IonicContact OE2-CZ 3.76Å; E749-R839 IonicContact OE2-NH2 3.81Å; E749-R839 PolarHBondContact OE2-NH2 3.09Å; T750-R839 HydrophobicContact CG2-CB 4.35Å; T750-R839 HydrophobicContact CG2-CG 3.54Å |
| 840 | D | 36.8 | Very low | 31.6 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -144 | -10.8 | -174.8 | 71.6 | -32.9 | 0 | 0 | 0 | 116.8 | T838 K842 H843 | T838-D840 PolarHBondContact O-N 3.43Å; D840-K842 WeakPolarHBondContact O-CG 3.41Å; D840-K842 PolarHBondContact O-N 3.14Å; D840-H843 IonicContact OD2-CE1 3.9Å; D840-H843 PolarHBondContact OD2-CE1 3.17Å; D840-H843 IonicContact OD2-CG 3.6Å; D840-H843 IonicContact OD2-ND1 3.77Å; D840-H843 PolarHBondContact OD2-ND1 3.41Å |
| 841 | G | 35.5 | Very low | 31.3 | Very low | 60 Ų | 60 | 121.5 Ų | 121.5 | 62% | 0.619 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 62 | -4.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 842 | K | 31.4 | Very low | 31.1 | Very low | 177 Ų | 177 | 127 Ų | 127 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | trans | -98.8 | -5.5 | -168.7 | -76.5 | 168.1 | -179.7 | 176 | 0 | 114.3 | D840 | D840-K842 WeakPolarHBondContact O-CG 3.41Å; D840-K842 PolarHBondContact O-N 3.14Å | ||
| 843 | H | 31.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | trans | -128.7 | 78.5 | -172.8 | -64.3 | 100.8 | 0 | 0 | 0 | 112 | D840 | D840-H843 IonicContact OD2-CE1 3.9Å; D840-H843 PolarHBondContact OD2-CE1 3.17Å; D840-H843 IonicContact OD2-CG 3.6Å; D840-H843 IonicContact OD2-ND1 3.77Å; D840-H843 PolarHBondContact OD2-ND1 3.41Å | ||
| 844 | W | 32 | Very low | 31 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | trans | -68.6 | 137.9 | 165.9 | -65.9 | 78.1 | 0 | 0 | 0 | 110.3 | I846 | W844-I846 HydrophobicContact CB-CD1 4.02Å; W844-I846 HydrophobicContact CB-CG1 3.69Å; W844-I846 PolarHBondContact O-N 3.42Å | ||
| 845 | L | 31.8 | Very low | 31 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 71% | 0.707 | 67% | 0.674 | S | S | * | * | trans | -77.4 | 64.8 | 170.6 | -81.7 | 170.4 | 0 | 0 | 0 | 110.9 | G847 | L845-G847 PolarHBondContact O-N 3.27Š| ||
| 846 | I | 27.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 137 Ų | 137 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | trans | -75.1 | 108.3 | 178.4 | -59.9 | 174.9 | 0 | 0 | 0 | 109.7 | W844 | W844-I846 HydrophobicContact CB-CD1 4.02Å; W844-I846 HydrophobicContact CB-CG1 3.69Å; W844-I846 PolarHBondContact O-N 3.42Å | ||
| 847 | G | 29.9 | Very low | 30.5 | Very low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -62.4 | 130.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L845 | L845-G847 PolarHBondContact O-N 3.27Š| ||
| 848 | K | 26.9 | Very low | 29.9 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -84.7 | 123.9 | 172.2 | -72.5 | -175.5 | 177 | 179.8 | 0 | 109.1 | ||||
| 849 | H | 26.4 | Very low | 29.5 | Very low | 179 Ų | 179 | 149 Ų | 149 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | trans | 69.1 | 146.6 | -169.7 | -44.8 | -85.8 | 0 | 0 | 0 | 111.5 | ||||
| 850 | E | 27.6 | Very low | 29.1 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | cis | -127 | 176.9 | 20.9 | -70.5 | -179.8 | 101.5 | 0 | 0 | 114.7 | ||||
| 851 | K | 26.1 | Very low | 28.5 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 144.7 | 166.7 | -61.9 | 177.1 | 176 | -175.5 | 0 | 109.8 | ||||
| 852 | L | 26.5 | Very low | 28.2 | Very low | 177 Ų | 177 | 157.9 Ų | 157.9 | 93% | 0.927 | 79% | 0.794 | S | S | * | * | trans | -138.2 | 123.9 | 157.6 | -92.9 | 166.3 | 0 | 0 | 0 | 110.6 | ||||
| 853 | E | 24 | Very low | 28 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -134.2 | 156.8 | 161.1 | -129.3 | -164.5 | -158.8 | 0 | 0 | 105.4 | ||||
| 854 | P | 36.9 | Very low | 27.8 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | -119.6 | 171.5 | -93.7 | 37.2 | -26 | 0 | 0 | 0 | 112.4 | |||||
| 855 | D | 28.3 | Very low | 27.5 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -162.8 | 128.7 | 137.9 | -110.3 | -19.3 | 0 | 0 | 0 | 114.3 | ||||
| 856 | I | 25.6 | Very low | 27.4 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 37.8 | 112.8 | 141 | -55.2 | 161.6 | 0 | 0 | 0 | 119.1 | ||||
| 857 | I | 28.9 | Very low | 27.5 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | -152.4 | 151.7 | 121.6 | -99.9 | 151.3 | 0 | 0 | 0 | 109 | |||||
| 858 | Q | 23.3 | Very low | 27.6 | Very low | 176 Ų | 176 | 159.5 Ų | 159.5 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 139.9 | -163.3 | -63 | 156.5 | -43 | 0 | 0 | 115.2 | ||
| 859 | P | 26.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 157 Ų | 157 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 155.7 | 157.4 | 34.5 | -32.9 | 0 | 0 | 0 | 111 | ||
| 860 | V | 28.7 | Very low | 27.9 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 148.8 | 168.8 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | D862 | V860-D862 PolarHBondContact O-N 3.46Š|
| 861 | E | 24.4 | Very low | 28.1 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 125.1 | 178.2 | -60.6 | 174.4 | 127.6 | 0 | 0 | 111.6 | ||
| 862 | D | 28.7 | Very low | 28.1 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -146.7 | 135.3 | 144.8 | -115.1 | -35.4 | 0 | 0 | 0 | 109.4 | V860 | V860-D862 PolarHBondContact O-N 3.46Š| ||
| 863 | S | 27.6 | Very low | 28.3 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -94.6 | 155.2 | -176.2 | 66.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 864 | V | 26.7 | Very low | 28.4 | Very low | 130 Ų | 130 | 143 Ų | 143 | 79% | 0.788 | 80% | 0.8 | S | S | * | * | cis | -143.4 | 148 | 24.9 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 865 | M | 26.5 | Very low | 28.1 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 93% | 0.931 | 81% | 0.811 | S | S | * | * | trans | -120 | 137.9 | 160.6 | -115.7 | -160.8 | 173 | 0 | 0 | 111.7 | ||||
| 866 | R | 28.2 | Very low | 28.3 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 60% | 0.604 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 132.7 | 175.4 | -150.1 | 179 | -161.4 | -164.9 | 3.5 | 108.5 | E453 Y457 | E453-R866 IonicContact OE1-CZ 2.79Å; E453-R866 VanDerWaalsContact OE1-CZ 3.25Å; E453-R866 IonicContact OE1-NH1 3.45Å; E453-R866 PolarHBondContact OE1-NH1 3.06Å; E453-R866 IonicContact OE1-NH2 3.29Å; E453-R866 PolarHBondContact OE1-NH2 3Å; E453-R866 IonicContact OE2-NH1 3.89Å; Y457-R866 VanDerWaalsContact CE2-NH2 3.31Å; Y457-R866 VanDerWaalsContact CZ-NH2 3.27Å; Y457-R866 VanDerWaalsContact OH-CZ 3.26Å; Y457-R866 PolarHBondContact OH-NH2 3.16Å |
| 867 | P | 29.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 134.4 | -171.4 | 29.6 | -35 | 0 | 0 | 0 | 112.7 | ||
| 868 | M | 32.1 | Very low | 28.6 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 137.7 | 166.4 | -65.6 | -174.4 | 75.9 | 0 | 0 | 110.9 | ||
| 869 | T | 29.2 | Very low | 29 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 130.5 | 170.1 | 32 | 0 | 0 | 0 | 0 | 111.4 | ||
| 870 | P | 31.5 | Very low | 29.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 149.1 | 179.3 | 32.3 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 871 | P | 31.4 | Very low | 29.2 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 131.9 | 179.7 | 28.6 | -34.5 | 0 | 0 | 0 | 112.3 | T873 | P871-T873 PolarHBondContact O-N 2.88Š|
| 872 | T | 25 | Very low | 29.3 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -72.5 | 103.4 | 175.9 | 28.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 873 | T | 32.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -115.4 | 116.7 | 165.5 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | P871 | P871-T873 PolarHBondContact O-N 2.88Š| ||
| 874 | T | 24.9 | Very low | 29.3 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | -82.2 | 126.7 | 175.8 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 875 | N | 30.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -153.2 | 156.8 | 157.9 | -101.4 | -42.2 | 0 | 0 | 0 | 111.1 | ||||
| 876 | T | 31.9 | Very low | 29.6 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -101.6 | 154.4 | -162.3 | 41.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 877 | S | 30.9 | Very low | 29.6 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -10.3 | 146.3 | 156.4 | 54.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 878 | T | 30.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -165.9 | 160.2 | 34.6 | -14.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 879 | P | 31 | Very low | 29.5 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -114.1 | 167.1 | -172.4 | 41 | -31.6 | 0 | 0 | 0 | 115.9 | ||||
| 880 | A | 31.7 | Very low | 29.5 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | -163.8 | 168.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 881 | T | 28 | Very low | 29.2 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | -171.1 | 120.7 | -53.6 | -86.5 | 0 | 0 | 0 | 0 | 108 | |||||
| 882 | T | 26.7 | Very low | 29.1 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 35.9 | 124.8 | 148.4 | -48 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 883 | T | 30.7 | Very low | 29.1 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | -172.7 | 157.7 | 118.9 | 18.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 884 | A | 26.5 | Very low | 28.7 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -135.7 | 152.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 885 | N | 31.1 | Very low | 28.7 | Very low | 168 Ų | 168 | 126 Ų | 126 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -169.5 | 154.4 | 158 | -93.8 | -36.7 | 0 | 0 | 0 | 109.4 | ||||
| 886 | S | 28.2 | Very low | 28.3 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | 159.1 | 150 | -43.5 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 887 | L | 28.1 | Very low | 27.9 | Very low | 138 Ų | 138 | 125 Ų | 125 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 82.1 | 135.3 | 158.4 | -74.1 | 149.8 | 0 | 0 | 0 | 123.2 | ||||
| 888 | N | 30.3 | Very low | 27.7 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | 75.7 | 147.4 | 149.5 | -58.7 | -23.3 | 0 | 0 | 0 | 119.8 | ||||
| 889 | N | 28.2 | Very low | 27.5 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | cis | -173.1 | 163.2 | -16.9 | -100.5 | -15.8 | 0 | 0 | 0 | 108.9 | ||||
| 890 | A | 29.3 | Very low | 27.1 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | cis | -157.8 | -102.5 | -14.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 891 | S | 25.9 | Very low | 26.8 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -116 | 175.4 | -172.9 | 67.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 892 | D | 28.8 | Very low | 26.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | cis | -157.8 | 178.5 | 31.3 | -130.5 | -51 | 0 | 0 | 0 | 116.9 | ||||
| 893 | Q | 25.8 | Very low | 26.8 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | trans | -52.2 | 149.3 | -169.4 | -60.8 | 150.4 | 70 | 0 | 0 | 116.9 | ||||
| 894 | S | 23.9 | Very low | 26.8 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | 175.9 | 154.3 | 69.9 | 45.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 895 | K | 24.5 | Very low | 27 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | 64 | 120.1 | 152.4 | -74 | -173.6 | 171.2 | -159.2 | 0 | 124.2 | ||||
| 896 | E | 22.7 | Very low | 27.2 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 77.3 | 125.1 | 132 | -65.7 | 178.8 | 121.8 | 0 | 0 | 122.9 | ||||
| 897 | S | 22.8 | Very low | 27.4 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | 79.9 | 162.7 | 158.4 | 81.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 898 | I | 27.7 | Very low | 27.9 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 64.2 | 101.1 | -176.4 | -45.6 | 172.9 | 0 | 0 | 0 | 112.6 | K900 | I898-K900 HydrophobicContact CG2-CB 4.41Š| ||
| 899 | L | 24.8 | Very low | 28.3 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | cis | 68.6 | 46.8 | 24.2 | -134 | -177.3 | 0 | 0 | 0 | 114.7 | ||||
| 900 | K | 24.1 | Very low | 28.9 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | trans | -178.7 | 102.2 | 155 | -103.4 | 160.1 | -177.2 | 178.9 | 0 | 112.7 | I898 | I898-K900 HydrophobicContact CG2-CB 4.41Š| ||
| 901 | S | 25.7 | Very low | 29.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -165.7 | 7.3 | 158.3 | 58.4 | 0 | 0 | 0 | 0 | 117.5 | M903 | S901-M903 PolarHBondContact O-N 2.9Š| ||
| 902 | N | 27.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -78 | 64.4 | 170.5 | -82.2 | 15.2 | 0 | 0 | 0 | 112.1 | L904 | N902-L904 PolarHBondContact O-N 3.38Š| ||
| 903 | M | 25.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | -85.9 | 61.5 | 166.6 | -73.1 | -83.5 | 92.2 | 0 | 0 | 110.2 | S901 | S901-M903 PolarHBondContact O-N 2.9Š| ||
| 904 | L | 30.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -75 | 137 | 166.5 | -84.2 | 158.6 | 0 | 0 | 0 | 109.3 | N902 | N902-L904 PolarHBondContact O-N 3.38Š| ||
| 905 | G | 31.5 | Very low | 32.8 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | trans | -56.1 | 134.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.7 | E907 | G905-E907 VanDerWaalsContact C-N 3.25Å; G905-E907 PolarHBondContact O-N 2.84Å; G905-E907 VanDerWaalsContact O-N 3.14Å | ||
| 906 | S | 35 | Very low | 33.9 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 14.8 | -167.7 | 53.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 907 | E | 33.3 | Very low | 35 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | -25 | -161.6 | -58.9 | -158 | 132.3 | 0 | 0 | 115.7 | G905 | G905-E907 VanDerWaalsContact C-N 3.25Å; G905-E907 PolarHBondContact O-N 2.84Å; G905-E907 VanDerWaalsContact O-N 3.14Å |
| 908 | N | 37 | Very low | 36.3 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | trans | -119.3 | 86.5 | -176.6 | -73.1 | -40.6 | 0 | 0 | 0 | 112.5 | ||||
| 909 | R | 40.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 122.8 Ų | 122.8 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | -137.2 | 119.6 | 165.3 | -70.8 | -172 | 179.1 | -173.3 | -0.3 | 110.8 | ||||
| 910 | I | 39.5 | Very low | 39.7 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 52% | 0.518 | 65% | 0.652 | S | S | . | * | trans | -85 | 121.5 | 170.7 | -60.2 | 174.3 | 0 | 0 | 0 | 107.9 | V912 | I910-V912 HydrophobicContact CG2-CG2 4.21Š| ||
| 911 | L | 43.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 110.1 Ų | 110.1 | 45% | 0.445 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 126.1 | 176.8 | -64.9 | 174.3 | 0 | 0 | 0 | 109.3 | L1005 V1008 | L911-L1005 HydrophobicContact CD1-CD2 3.54Å; L911-L1005 HydrophobicContact CD2-CD2 4.03Å; L911-L1005 HydrophobicContact CG-CD2 4.46Å; L911-V1008 HydrophobicContact CB-CG1 4.23Å; L911-V1008 HydrophobicContact CD2-CG1 4.44Å |
| 912 | V | 42.3 | Very low | 45 | Very low | 66 Ų | 66 | 108.8 Ų | 108.8 | 40% | 0.4 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.7 | 178.4 | 179 | 0 | 0 | 0 | 0 | 109.1 | I910 V1008 L1011 | I910-V912 HydrophobicContact CG2-CG2 4.21Å; V912-V1008 WeakPolarHBondContact O-CG1 3.38Å; V912-L1011 HydrophobicContact CB-CD1 4.33Å; V912-L1011 HydrophobicContact CG2-CD1 3.68Å |
| 913 | S | 44.6 | Very low | 47.8 | Very low | 72 Ų | 72 | 102.4 Ų | 102.4 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | trans | -104.7 | 137.1 | 170.2 | -167.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 914 | C | 43.5 | Very low | 50.7 | Low | 59 Ų | 59 | 99.7 Ų | 99.7 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | trans | -82.1 | 120.4 | 173.2 | -154.8 | 0 | 0 | 0 | 0 | 108.8 | D916 S919 | C914-D916 PolarHBondContact O-N 2.88Å; C914-D916 PolarHBondContact SG-OD2 2.82Å; C914-S919 WeakPolarHBondContact O-CB 3.28Å; C914-S919 PolarHBondContact O-OG 2.98Å | ||
| 915 | C | 43.3 | Very low | 53.4 | Low | 124 Ų | 124 | 96.2 Ų | 96.2 | 84% | 0.838 | 54% | 0.535 | S | S | * | . | trans | -85.7 | 50.4 | -176.2 | -65 | 0 | 0 | 0 | 0 | 113 | ||||
| 916 | D | 46.2 | Very low | 56.1 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -93 | 152.8 | 167.8 | -67.3 | -57 | 0 | 0 | 0 | 110.2 | C914 S918 S919 | C914-D916 PolarHBondContact O-N 2.88Å; C914-D916 PolarHBondContact SG-OD2 2.82Å; D916-S918 PolarHBondContact O-N 2.81Å; D916-S919 VanDerWaalsContact O-CB 3.28Å; D916-S919 WeakPolarHBondContact O-CB 3.38Å; D916-S919 PolarHBondContact O-N 3.01Å; D916-S919 PolarHBondContact O-OG 3.48Å |
| 917 | E | 47 | Very low | 58.7 | Low | 172 Ų | 172 | 88.2 Ų | 88.2 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -64.3 | -12.9 | -179.8 | -67.5 | 172.5 | 178.3 | 0 | 0 | 113.1 | ||
| 918 | S | 50.1 | Low | 61.3 | Low | 108 Ų | 108 | 85.1 Ų | 85.1 | 76% | 0.755 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -82.2 | -3.9 | 171.2 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | D916 | D916-S918 PolarHBondContact O-N 2.81Š|
| 919 | S | 54.6 | Low | 63.7 | Low | 49 Ų | 49 | 81.1 Ų | 81.1 | 34% | 0.343 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -84.7 | -2.8 | -177.2 | 67.5 | 0 | 0 | 0 | 0 | 115.2 | C914 D916 I921 | C914-S919 WeakPolarHBondContact O-CB 3.28Å; C914-S919 PolarHBondContact O-OG 2.98Å; D916-S919 VanDerWaalsContact O-CB 3.28Å; D916-S919 WeakPolarHBondContact O-CB 3.38Å; D916-S919 PolarHBondContact O-N 3.01Å; D916-S919 PolarHBondContact O-OG 3.48Å; S919-I921 PolarHBondContact O-N 3.36Å |
| 920 | R | 68.8 | Low | 66 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -60.7 | 122.3 | 177 | -178.9 | -176.5 | 175.9 | 119.9 | 1 | 110.2 | N922 N967 D969 D984 | R920-N922 PolarHBondContact O-N 2.99Å; R920-N967 VanDerWaalsContact CZ-O 3.29Å; R920-N967 PolarHBondContact NH1-O 2.72Å; R920-N967 PolarHBondContact NH2-O 3.14Å; R920-D969 IonicContact CZ-OD2 2.71Å; R920-D969 IonicContact NE-OD2 3.72Å; R920-D969 PolarHBondContact NE-OD2 2.89Å; R920-D969 IonicContact NH2-OD1 3.4Å; R920-D969 IonicContact NH2-OD2 3.72Å; R920-D969 PolarHBondContact NH2-OD2 3.29Å; R920-D984 IonicContact CZ-OD1 2.68Å; R920-D984 VanDerWaalsContact NH1-CG 3.34Å; R920-D984 IonicContact NH1-OD1 2.69Å; R920-D984 PolarHBondContact NH1-OD1 3.38Å; R920-D984 IonicContact NH1-OD2 3.91Å |
| 921 | I | 76.8 | Confident | 68.4 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 16% | 0.159 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 122.6 | 176.7 | -58.5 | 176.4 | 0 | 0 | 0 | 109.1 | S919 L926 L982 I1004 F1007 | S919-I921 PolarHBondContact O-N 3.36Å; I921-L926 HydrophobicContact CG2-CB 3.94Å; I921-L926 HydrophobicContact CG2-CD2 4.16Å; I921-L982 HydrophobicContact CB-CD1 4.4Å; I921-L982 HydrophobicContact CG2-CD1 4.43Å; I921-L982 WeakPolarHBondContact O-CD1 3.42Å; I921-I1004 HydrophobicContact CD1-CG2 3.98Å; I921-F1007 HydrophobicContact CD1-CB 4.27Å; I921-F1007 HydrophobicContact CG1-CB 4.12Å; I921-F1007 HydrophobicContact CG1-CG 4.43Å; I921-F1007 HydrophobicContact CG2-CD1 4.19Å; I921-F1007 HydrophobicContact CG2-CD2 4.27Å; I921-F1007 HydrophobicContact CG2-CE1 4.33Å; I921-F1007 HydrophobicContact CG2-CE2 4.41Å; I921-F1007 HydrophobicContact CG2-CG 4.16Å; I921-F1007 HydrophobicContact CG2-CZ 4.43Å |
| 922 | N | 83.8 | Confident | 70.4 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 121.7 | 177.4 | -178.9 | -40.4 | 0 | 0 | 0 | 109.9 | R920 H924 E925 L926 | R920-N922 PolarHBondContact O-N 2.99Å; N922-H924 VanDerWaalsContact C-N 3.32Å; N922-H924 PolarHBondContact O-N 3.49Å; N922-H924 PolarHBondContact OD1-N 2.97Å; N922-E925 HydrophobicContact CB-CB 4.08Å; N922-E925 PolarHBondContact O-N 2.82Å; N922-E925 PolarHBondContact OD1-N 3.36Å; N922-L926 PolarHBondContact O-N 3.47Å |
| 923 | P | 86.1 | Confident | 72.2 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | -174.8 | 24.6 | -34.8 | 0 | 0 | 0 | 112.9 | L926 I927 L940 D969 I971 L982 | P923-L926 PolarHBondContact O-N 3.2Å; P923-I927 WeakPolarHBondContact O-CB 3.47Å; P923-I927 WeakPolarHBondContact O-CD1 3.36Å; P923-I927 VanDerWaalsContact O-CG1 3.23Å; P923-I927 WeakPolarHBondContact O-CG1 3.47Å; P923-I927 PolarHBondContact O-N 3.4Å; P923-L940 HydrophobicContact CB-CD1 4.1Å; P923-L940 HydrophobicContact CB-CD2 4.26Å; P923-L940 HydrophobicContact CG-CD1 4.48Å; P923-L940 HydrophobicContact CG-CD2 3.97Å; P923-D969 HydrophobicContact CB-CB 4.38Å; P923-D969 HydrophobicContact CG-CB 4.45Å; P923-I971 HydrophobicContact CB-CD1 4.15Å; P923-I971 HydrophobicContact CB-CG1 4.33Å; P923-L982 HydrophobicContact CB-CD1 4.09Å |
| 924 | H | 88.2 | Confident | 74.1 | Confident | 125 Ų | 125 | 72.9 Ų | 72.9 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70 | -35.8 | 178.5 | -66.8 | -79 | 0 | 0 | 0 | 111.9 | N922 R928 | N922-H924 VanDerWaalsContact C-N 3.32Å; N922-H924 PolarHBondContact O-N 3.49Å; N922-H924 PolarHBondContact OD1-N 2.97Å; H924-R928 WeakPolarHBondContact O-CB 3.39Å; H924-R928 PolarHBondContact O-N 2.85Å |
| 925 | E | 86.7 | Confident | 76 | Confident | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.7 | -37.7 | 175.4 | -172.4 | 160.2 | -138.7 | 0 | 0 | 112.2 | N922 R928 K929 F1007 | N922-E925 HydrophobicContact CB-CB 4.08Å; N922-E925 PolarHBondContact O-N 2.82Å; N922-E925 PolarHBondContact OD1-N 3.36Å; E925-R928 WeakPolarHBondContact O-CB 3.14Å; E925-R928 PolarHBondContact O-N 3.06Å; E925-R928 IonicContact OE1-CZ 2.83Å; E925-R928 IonicContact OE1-NH2 3.86Å; E925-R928 PolarHBondContact OE1-NH2 3.06Å; E925-K929 HydrophobicContact CG-CG 4.4Å; E925-K929 WeakPolarHBondContact O-CB 3.11Å; E925-K929 WeakPolarHBondContact O-CG 3.44Å; E925-K929 PolarHBondContact O-N 2.87Å; E925-F1007 HydrophobicContact CB-CE1 4.35Å; E925-F1007 HydrophobicContact CG-CE1 3.87Å; E925-F1007 HydrophobicContact CG-CZ 4Å |
| 926 | L | 87.6 | Confident | 78.1 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 172 | 179.2 | 58.4 | 0 | 0 | 0 | 111.2 | I921 N922 P923 R928 K929 L930 I971 I980 L982 T1003 I1004 F1007 | I921-L926 HydrophobicContact CG2-CB 3.94Å; I921-L926 HydrophobicContact CG2-CD2 4.16Å; N922-L926 PolarHBondContact O-N 3.47Å; P923-L926 PolarHBondContact O-N 3.2Å; L926-R928 VanDerWaalsContact C-N 3.33Å; L926-R928 PolarHBondContact O-N 2.8Å; L926-K929 PolarHBondContact O-N 3.08Å; L926-L930 HydrophobicContact CD1-CD1 4.06Å; L926-L930 HydrophobicContact CD1-CG 4.02Å; L926-L930 HydrophobicContact CG-CD1 3.91Å; L926-L930 HydrophobicContact CG-CG 4.35Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 WeakPolarHBondContact O-CG 3.25Å; L926-L930 PolarHBondContact O-N 3.49Å; L926-I971 HydrophobicContact CD2-CD1 3.86Å; L926-I971 HydrophobicContact CG-CD1 4.32Å; L926-I980 HydrophobicContact CD2-CD1 4.3Å; L926-I980 HydrophobicContact CD2-CG2 4.43Å; L926-L982 HydrophobicContact CD2-CD1 4.21Å; L926-L982 HydrophobicContact CD2-CD2 4.09Å; L926-T1003 HydrophobicContact CD1-CG2 4.08Å; L926-I1004 HydrophobicContact CD1-CG1 3.87Å; L926-I1004 HydrophobicContact CD2-CG1 4.26Å; L926-F1007 HydrophobicContact CB-CE2 4.46Å; L926-F1007 HydrophobicContact CB-CZ 4.41Å; L926-F1007 HydrophobicContact CD1-CE2 3.85Å |
| 927 | I | 89.2 | Confident | 79.9 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.7 | -73 | 163.1 | 0 | 0 | 0 | 111.4 | P923 L930 T931 A938 L940 I971 | P923-I927 WeakPolarHBondContact O-CB 3.47Å; P923-I927 WeakPolarHBondContact O-CD1 3.36Å; P923-I927 VanDerWaalsContact O-CG1 3.23Å; P923-I927 WeakPolarHBondContact O-CG1 3.47Å; P923-I927 PolarHBondContact O-N 3.4Å; I927-L930 PolarHBondContact O-N 3.02Å; I927-T931 WeakPolarHBondContact O-CB 3.36Å; I927-T931 PolarHBondContact O-N 3.29Å; I927-T931 PolarHBondContact O-OG1 2.68Å; I927-A938 HydrophobicContact CG1-CB 4.13Å; I927-A938 HydrophobicContact CG2-CB 4.32Å; I927-A938 WeakPolarHBondContact CG2-O 3.4Å; I927-L940 HydrophobicContact CD1-CB 4.21Å; I927-I971 HydrophobicContact CD1-CD1 4.41Å; I927-I971 HydrophobicContact CD1-CG1 4.2Å; I927-I971 HydrophobicContact CD1-CG2 4.06Å; I927-I971 HydrophobicContact CG1-CD1 4.12Å; I927-I971 HydrophobicContact CG1-CG1 4.35Å; I927-I971 HydrophobicContact CG1-CG2 3.82Å |
| 928 | R | 89.6 | Confident | 81.8 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 175 | 179.6 | -177.2 | 70.3 | 104.3 | -17.9 | 111.5 | H924 E925 L926 L930 T931 E932 | H924-R928 WeakPolarHBondContact O-CB 3.39Å; H924-R928 PolarHBondContact O-N 2.85Å; E925-R928 WeakPolarHBondContact O-CB 3.14Å; E925-R928 PolarHBondContact O-N 3.06Å; E925-R928 IonicContact OE1-CZ 2.83Å; E925-R928 IonicContact OE1-NH2 3.86Å; E925-R928 PolarHBondContact OE1-NH2 3.06Å; L926-R928 VanDerWaalsContact C-N 3.33Å; L926-R928 PolarHBondContact O-N 2.8Å; R928-L930 PolarHBondContact O-N 3.29Å; R928-T931 WeakPolarHBondContact O-CB 3.46Å; R928-T931 PolarHBondContact O-N 2.76Å; R928-E932 WeakPolarHBondContact CG-OE1 3.09Å; R928-E932 IonicContact CZ-OE1 3.56Å; R928-E932 IonicContact NE-OE1 3.61Å; R928-E932 IonicContact NH1-OE1 3.85Å; R928-E932 PolarHBondContact NH1-OE1 3.19Å; R928-E932 WeakPolarHBondContact O-CG 3.4Å; R928-E932 PolarHBondContact O-N 3.25Å |
| 929 | K | 87.2 | Confident | 83.8 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 24% | 0.239 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -33.2 | -178 | -75 | -76 | 164.6 | -160.5 | 0 | 113.3 | E925 L926 E932 R933 T1003 L1006 F1007 | E925-K929 HydrophobicContact CG-CG 4.4Å; E925-K929 WeakPolarHBondContact O-CB 3.11Å; E925-K929 WeakPolarHBondContact O-CG 3.44Å; E925-K929 PolarHBondContact O-N 2.87Å; L926-K929 PolarHBondContact O-N 3.08Å; K929-E932 WeakPolarHBondContact CD-OE2 3.35Å; K929-E932 WeakPolarHBondContact CE-OE2 3.27Å; K929-E932 IonicContact NZ-OE1 3.04Å; K929-E932 IonicContact NZ-OE2 2.69Å; K929-E932 PolarHBondContact NZ-OE2 2.87Å; K929-R933 PolarHBondContact O-N 3.02Å; K929-T1003 HydrophobicContact CB-CG2 3.59Å; K929-L1006 HydrophobicContact CD-CD1 4.45Å; K929-F1007 HydrophobicContact CB-CE2 4.45Å; K929-F1007 HydrophobicContact CB-CZ 4.34Å; K929-F1007 HydrophobicContact CG-CZ 4.05Å |
| 930 | L | 88.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 170.4 | -73.5 | 171.2 | 0 | 0 | 0 | 111.3 | L926 I927 R928 R933 G934 V935 F973 I980 I1000 T1003 | L926-L930 HydrophobicContact CD1-CD1 4.06Å; L926-L930 HydrophobicContact CD1-CG 4.02Å; L926-L930 HydrophobicContact CG-CD1 3.91Å; L926-L930 HydrophobicContact CG-CG 4.35Å; L926-L930 WeakPolarHBondContact O-CB 3.45Å; L926-L930 WeakPolarHBondContact O-CG 3.25Å; L926-L930 PolarHBondContact O-N 3.49Å; I927-L930 PolarHBondContact O-N 3.02Å; R928-L930 PolarHBondContact O-N 3.29Å; L930-R933 CarbonylContact O-C 3.52Å; L930-R933 WeakPolarHBondContact O-CA 3.16Å; L930-R933 PolarHBondContact O-N 3.15Å; L930-R933 VanDerWaalsContact O-N 3.09Å; L930-G934 PolarHBondContact O-N 3.22Å; L930-V935 CarbonylContact C-O 3.38Å; L930-V935 HydrophobicContact CB-CB 4.18Å; L930-V935 HydrophobicContact CD2-CB 4.44Å; L930-V935 PolarHBondContact O-N 3.28Å; L930-F973 HydrophobicContact CD1-CE1 4.22Å; L930-F973 HydrophobicContact CD1-CZ 3.91Å; L930-I980 HydrophobicContact CD1-CD1 3.96Å; L930-I1000 HydrophobicContact CD2-CB 4.29Å; L930-I1000 HydrophobicContact CD2-CG1 3.77Å; L930-T1003 HydrophobicContact CD2-CG2 4.03Å; L930-T1003 HydrophobicContact CG-CG2 4.19Å |
| 931 | T | 88.2 | Confident | 86.3 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | I927 R928 R933 G934 T936 | I927-T931 WeakPolarHBondContact O-CB 3.36Å; I927-T931 PolarHBondContact O-N 3.29Å; I927-T931 PolarHBondContact O-OG1 2.68Å; R928-T931 WeakPolarHBondContact O-CB 3.46Å; R928-T931 PolarHBondContact O-N 2.76Å; T931-R933 PolarHBondContact O-N 2.85Å; T931-G934 PolarHBondContact O-N 3.48Å; T931-T936 HydrophobicContact CG2-CG2 4.46Å |
| 932 | E | 86.3 | Confident | 86.7 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -22.5 | 173 | -74.1 | 172 | -158.2 | 0 | 0 | 113.2 | R928 K929 | R928-E932 WeakPolarHBondContact CG-OE1 3.09Å; R928-E932 IonicContact CZ-OE1 3.56Å; R928-E932 IonicContact NE-OE1 3.61Å; R928-E932 IonicContact NH1-OE1 3.85Å; R928-E932 PolarHBondContact NH1-OE1 3.19Å; R928-E932 WeakPolarHBondContact O-CG 3.4Å; R928-E932 PolarHBondContact O-N 3.25Å; K929-E932 WeakPolarHBondContact CD-OE2 3.35Å; K929-E932 WeakPolarHBondContact CE-OE2 3.27Å; K929-E932 IonicContact NZ-OE1 3.04Å; K929-E932 IonicContact NZ-OE2 2.69Å; K929-E932 PolarHBondContact NZ-OE2 2.87Å |
| 933 | R | 80.5 | Confident | 86.3 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 17.3 | 173.5 | -69.8 | -154.2 | 177 | 139.7 | -14.6 | 114.4 | K929 L930 T931 V935 D1002 T1003 | K929-R933 PolarHBondContact O-N 3.02Å; L930-R933 CarbonylContact O-C 3.52Å; L930-R933 WeakPolarHBondContact O-CA 3.16Å; L930-R933 PolarHBondContact O-N 3.15Å; L930-R933 VanDerWaalsContact O-N 3.09Å; T931-R933 PolarHBondContact O-N 2.85Å; R933-V935 PolarHBondContact O-N 3.11Å; R933-D1002 PolarHBondContact NH1-O 3.44Å; R933-T1003 PolarHBondContact NH1-OG1 3.44Å |
| 934 | G | 83.1 | Confident | 85.9 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 58% | 0.577 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 2.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L930 T931 T936 | L930-G934 PolarHBondContact O-N 3.22Å; T931-G934 PolarHBondContact O-N 3.48Å; G934-T936 VanDerWaalsContact C-N 3.34Å; G934-T936 PolarHBondContact O-N 2.82Å; G934-T936 VanDerWaalsContact O-N 3.11Å |
| 935 | V | 85 | Confident | 85.6 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | trans | -86.4 | 78.9 | 173.8 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | L930 R933 F973 T996 A999 | L930-V935 CarbonylContact C-O 3.38Å; L930-V935 HydrophobicContact CB-CB 4.18Å; L930-V935 HydrophobicContact CD2-CB 4.44Å; L930-V935 PolarHBondContact O-N 3.28Å; R933-V935 PolarHBondContact O-N 3.11Å; V935-F973 HydrophobicContact CG1-CD1 4.01Å; V935-F973 HydrophobicContact CG1-CE1 3.63Å; V935-T996 HydrophobicContact CG1-CG2 4.16Å; V935-A999 HydrophobicContact CG2-CB 3.55Å | ||
| 936 | T | 85.5 | Confident | 85 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 60% | 0.595 | 32% | 0.316 | S | S | * | . | trans | -84.5 | 154.7 | -171.5 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | T931 G934 | T931-T936 HydrophobicContact CG2-CG2 4.46Å; G934-T936 VanDerWaalsContact C-N 3.34Å; G934-T936 PolarHBondContact O-N 2.82Å; G934-T936 VanDerWaalsContact O-N 3.11Å | ||
| 937 | G | 85 | Confident | 84.2 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | trans | 85.4 | 6.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P974 | G937-P974 WeakPolarHBondContact O-CD 3.11Š| ||
| 938 | A | 87.8 | Confident | 83.4 | Confident | 10 Ų | 10 | 67.3 Ų | 67.3 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | trans | -63.8 | 134.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I927 I971 L972 F973 | I927-A938 HydrophobicContact CG1-CB 4.13Å; I927-A938 HydrophobicContact CG2-CB 4.32Å; I927-A938 WeakPolarHBondContact CG2-O 3.4Å; A938-I971 HydrophobicContact CB-CG2 3.97Å; A938-L972 CarbonylContact C-O 3.59Å; A938-L972 WeakPolarHBondContact CA-O 3.34Å; A938-F973 HydrophobicContact CB-CD1 3.76Å; A938-F973 HydrophobicContact CB-CE1 3.47Å; A938-F973 VanDerWaalsContact CB-CE1 3.47Å; A938-F973 HydrophobicContact CB-CG 4.42Å; A938-F973 HydrophobicContact CB-CZ 3.9Å | ||
| 939 | Y | 90.5 | Very high | 82.5 | Confident | 120 Ų | 120 | 63.2 Ų | 63.2 | 47% | 0.471 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.5 | 176.4 | 71.1 | -83.6 | 0 | 0 | 0 | 111.6 | I971 L972 | Y939-I971 CarbonylContact O-C 3.57Å; Y939-I971 WeakPolarHBondContact O-CA 3.45Å; Y939-L972 HydrophobicContact CD1-CB 4.38Å; Y939-L972 HydrophobicContact CE1-CB 3.83Å; Y939-L972 HydrophobicContact CE2-CB 4.33Å; Y939-L972 HydrophobicContact CE2-CD1 4.37Å; Y939-L972 PolarHBondContact N-O 3.5Å; Y939-L972 PolarHBondContact O-N 3Å |
| 940 | L | 90.4 | Very high | 81.5 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 122.3 | 173.6 | -178.6 | 60.3 | 0 | 0 | 0 | 109.1 | P923 I927 D969 I971 | P923-L940 HydrophobicContact CB-CD1 4.1Å; P923-L940 HydrophobicContact CB-CD2 4.26Å; P923-L940 HydrophobicContact CG-CD1 4.48Å; P923-L940 HydrophobicContact CG-CD2 3.97Å; I927-L940 HydrophobicContact CD1-CB 4.21Å; L940-D969 HydrophobicContact CD1-CB 3.83Å; L940-I971 HydrophobicContact CD1-CG1 4.47Å |
| 941 | A | 86.3 | Confident | 80.4 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 145.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T945 A946 V970 L972 | A941-T945 HydrophobicContact CB-CG2 4.24Å; A941-A946 HydrophobicContact CB-CB 4.37Å; A941-V970 WeakPolarHBondContact CB-O 3.42Å; A941-V970 PolarHBondContact N-O 3.01Å; A941-L972 HydrophobicContact CB-CD1 3.66Å; A941-L972 HydrophobicContact CB-CG 3.94Å |
| 942 | D | 84.8 | Confident | 79.3 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -69 | 159.3 | 169.8 | 72.6 | 89.3 | 0 | 0 | 0 | 111.4 | S944 T945 A946 | D942-S944 PolarHBondContact O-N 3.13Å; D942-S944 VanDerWaalsContact OD1-CA 3.32Å; D942-S944 WeakPolarHBondContact OD1-CA 3.45Å; D942-S944 VanDerWaalsContact OD1-CB 3.27Å; D942-S944 WeakPolarHBondContact OD1-CB 3.17Å; D942-S944 PolarHBondContact OD1-N 2.91Å; D942-S944 PolarHBondContact OD1-OG 2.62Å; D942-T945 PolarHBondContact O-N 3Å; D942-T945 PolarHBondContact OD1-N 2.76Å; D942-T945 WeakPolarHBondContact OD2-CB 3.5Å; D942-T945 PolarHBondContact OD2-OG1 3.22Å; D942-A946 VanDerWaalsContact O-CB 3.32Å; D942-A946 WeakPolarHBondContact O-CB 3.36Å; D942-A946 PolarHBondContact O-N 2.71Å |
| 943 | P | 76.4 | Confident | 78.1 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.1 | -13.8 | -177.5 | -26.4 | 36 | 0 | 0 | 0 | 116.3 | R947 | P943-R947 WeakPolarHBondContact O-CD 3.01Å; P943-R947 VanDerWaalsContact O-CG 3.25Å; P943-R947 WeakPolarHBondContact O-CG 3.35Å; P943-R947 PolarHBondContact O-NE 2.75Å |
| 944 | S | 77 | Confident | 76.9 | Confident | 81 Ų | 81 | 66.7 Ų | 66.7 | 57% | 0.566 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -87.4 | -47.3 | 173.9 | 77.9 | 0 | 0 | 0 | 0 | 111.4 | D942 A946 R947 Q948 | D942-S944 PolarHBondContact O-N 3.13Å; D942-S944 VanDerWaalsContact OD1-CA 3.32Å; D942-S944 WeakPolarHBondContact OD1-CA 3.45Å; D942-S944 VanDerWaalsContact OD1-CB 3.27Å; D942-S944 WeakPolarHBondContact OD1-CB 3.17Å; D942-S944 PolarHBondContact OD1-N 2.91Å; D942-S944 PolarHBondContact OD1-OG 2.62Å; S944-A946 VanDerWaalsContact C-N 3.34Å; S944-A946 PolarHBondContact O-N 3.16Å; S944-R947 PolarHBondContact O-N 3.4Å; S944-Q948 PolarHBondContact O-N 3.2Å; S944-Q948 VanDerWaalsContact O-N 3.14Å |
| 945 | T | 81.5 | Confident | 75.5 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173 | -61.1 | 0 | 0 | 0 | 0 | 111 | A941 D942 R947 Q948 V949 L972 | A941-T945 HydrophobicContact CB-CG2 4.24Å; D942-T945 PolarHBondContact O-N 3Å; D942-T945 PolarHBondContact OD1-N 2.76Å; D942-T945 WeakPolarHBondContact OD2-CB 3.5Å; D942-T945 PolarHBondContact OD2-OG1 3.22Å; T945-R947 VanDerWaalsContact C-N 3.32Å; T945-R947 PolarHBondContact O-N 2.93Å; T945-Q948 PolarHBondContact O-N 3.19Å; T945-Q948 VanDerWaalsContact O-N 3.11Å; T945-V949 HydrophobicContact CG2-CG2 4.26Å; T945-V949 WeakPolarHBondContact O-CG2 3.4Å; T945-V949 PolarHBondContact O-N 2.83Å; T945-L972 HydrophobicContact CG2-CD1 3.87Å |
| 946 | A | 73.8 | Confident | 73.6 | Confident | 8 Ų | 8 | 78.3 Ų | 78.3 | 7% | 0.066 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -54.3 | -46.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A941 D942 S944 V949 Y950 V970 | A941-A946 HydrophobicContact CB-CB 4.37Å; D942-A946 VanDerWaalsContact O-CB 3.32Å; D942-A946 WeakPolarHBondContact O-CB 3.36Å; D942-A946 PolarHBondContact O-N 2.71Å; S944-A946 VanDerWaalsContact C-N 3.34Å; S944-A946 PolarHBondContact O-N 3.16Å; A946-V949 PolarHBondContact O-N 3.11Å; A946-Y950 WeakPolarHBondContact O-CB 3.3Å; A946-Y950 PolarHBondContact O-N 2.87Å; A946-V970 HydrophobicContact CB-CB 3.95Å; A946-V970 HydrophobicContact CB-CG2 3.88Å |
| 947 | R | 70.6 | Confident | 72 | Confident | 132 Ų | 132 | 77.6 Ų | 77.6 | 50% | 0.498 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.1 | -69.3 | 170 | -171.7 | 145.4 | 3.5 | 112.5 | P943 S944 T945 V949 S951 I965 | P943-R947 WeakPolarHBondContact O-CD 3.01Å; P943-R947 VanDerWaalsContact O-CG 3.25Å; P943-R947 WeakPolarHBondContact O-CG 3.35Å; P943-R947 PolarHBondContact O-NE 2.75Å; S944-R947 PolarHBondContact O-N 3.4Å; T945-R947 VanDerWaalsContact C-N 3.32Å; T945-R947 PolarHBondContact O-N 2.93Å; R947-V949 VanDerWaalsContact C-N 3.34Å; R947-S951 PolarHBondContact O-N 2.83Å; R947-S951 VanDerWaalsContact O-N 3.09Å; R947-I965 HydrophobicContact CG-CD1 4.17Å |
| 948 | Q | 73.8 | Confident | 69.8 | Low | 128 Ų | 128 | 81.6 Ų | 81.6 | 60% | 0.598 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.9 | -27.5 | 179.5 | -163.1 | -176.3 | 25.6 | 0 | 0 | 113 | S944 T945 S951 | S944-Q948 PolarHBondContact O-N 3.2Å; S944-Q948 VanDerWaalsContact O-N 3.14Å; T945-Q948 PolarHBondContact O-N 3.19Å; T945-Q948 VanDerWaalsContact O-N 3.11Å; Q948-S951 PolarHBondContact O-OG 3.17Å; Q948-S951 VanDerWaalsContact O-OG 3.09Å |
| 949 | V | 70.7 | Confident | 67.5 | Low | 25 Ų | 25 | 88.1 Ų | 88.1 | 15% | 0.152 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -78.8 | -47 | 171.7 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | T945 A946 R947 S951 R952 F953 L972 L979 | T945-V949 HydrophobicContact CG2-CG2 4.26Å; T945-V949 WeakPolarHBondContact O-CG2 3.4Å; T945-V949 PolarHBondContact O-N 2.83Å; A946-V949 PolarHBondContact O-N 3.11Å; R947-V949 VanDerWaalsContact C-N 3.34Å; V949-S951 VanDerWaalsContact C-N 3.26Å; V949-S951 PolarHBondContact O-N 2.89Å; V949-R952 WeakPolarHBondContact O-CB 3.21Å; V949-R952 PolarHBondContact O-N 2.84Å; V949-F953 HydrophobicContact CG1-CD2 4.1Å; V949-F953 HydrophobicContact CG1-CE2 3.75Å; V949-F953 WeakPolarHBondContact O-CD2 3.42Å; V949-L972 HydrophobicContact CB-CD2 4.39Å; V949-L972 HydrophobicContact CG1-CD2 3.88Å; V949-L972 HydrophobicContact CG2-CD1 3.88Å; V949-L972 HydrophobicContact CG2-CD2 4.38Å; V949-L979 HydrophobicContact CG1-CD2 3.9Å |
| 950 | Y | 64.9 | Low | 65.4 | Low | 54 Ų | 54 | 88.9 Ų | 88.9 | 21% | 0.212 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -53.5 | -41.3 | 177.3 | -108.1 | -58.2 | 0 | 0 | 0 | 112.9 | A946 R952 F953 S954 E968 V970 C981 | A946-Y950 WeakPolarHBondContact O-CB 3.3Å; A946-Y950 PolarHBondContact O-N 2.87Å; Y950-R952 PolarHBondContact O-N 3.02Å; Y950-R952 VanDerWaalsContact O-N 3.14Å; Y950-F953 PolarHBondContact O-N 3.12Å; Y950-S954 PolarHBondContact O-N 3.43Å; Y950-S954 PolarHBondContact O-OG 3.13Å; Y950-E968 VanDerWaalsContact CE2-OE2 3.29Å; Y950-E968 WeakPolarHBondContact CE2-OE2 3.27Å; Y950-E968 VanDerWaalsContact CZ-OE2 3.28Å; Y950-E968 PolarHBondContact OH-OE2 3.04Å; Y950-V970 HydrophobicContact CD2-CG2 4.13Å; Y950-V970 HydrophobicContact CE2-CG2 3.78Å; Y950-C981 PolarHBondContact OH-SG 3.47Å; Y950-C981 VanDerWaalsContact OH-SG 3.38Å |
| 951 | S | 65.5 | Low | 62.8 | Low | 74 Ų | 74 | 95.4 Ų | 95.4 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -25.5 | -179.2 | 68 | 0 | 0 | 0 | 0 | 113.4 | R947 Q948 V949 S954 | R947-S951 PolarHBondContact O-N 2.83Å; R947-S951 VanDerWaalsContact O-N 3.09Å; Q948-S951 PolarHBondContact O-OG 3.17Å; Q948-S951 VanDerWaalsContact O-OG 3.09Å; V949-S951 VanDerWaalsContact C-N 3.26Å; V949-S951 PolarHBondContact O-N 2.89Å; S951-S954 VanDerWaalsContact C-OG 3.26Å; S951-S954 VanDerWaalsContact CA-OG 3.32Å; S951-S954 WeakPolarHBondContact CA-OG 3.46Å; S951-S954 PolarHBondContact O-OG 2.96Å |
| 952 | R | 66.2 | Low | 60.6 | Low | 174 Ų | 174 | 101.1 Ų | 101.1 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.1 | -28.3 | 173.5 | -58.7 | 178.5 | 178.3 | 179 | -0.8 | 113.3 | V949 Y950 | V949-R952 WeakPolarHBondContact O-CB 3.21Å; V949-R952 PolarHBondContact O-N 2.84Å; Y950-R952 PolarHBondContact O-N 3.02Å; Y950-R952 VanDerWaalsContact O-N 3.14Å |
| 953 | F | 60.6 | Low | 58.7 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 19% | 0.189 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -96.2 | -4 | -177.4 | -66.6 | -75.5 | 0 | 0 | 0 | 114 | V949 Y950 V955 Y956 L979 I990 | V949-F953 HydrophobicContact CG1-CD2 4.1Å; V949-F953 HydrophobicContact CG1-CE2 3.75Å; V949-F953 WeakPolarHBondContact O-CD2 3.42Å; Y950-F953 PolarHBondContact O-N 3.12Å; F953-V955 PolarHBondContact O-N 2.91Å; F953-Y956 PolarHBondContact O-N 2.89Å; F953-Y956 VanDerWaalsContact O-N 3.08Å; F953-L979 HydrophobicContact CD2-CD2 3.68Å; F953-L979 HydrophobicContact CE2-CD2 3.44Å; F953-L979 VanDerWaalsContact CE2-CD2 3.44Å; F953-L979 HydrophobicContact CZ-CD2 4.11Å; F953-I990 HydrophobicContact CB-CD1 4.25Å; F953-I990 HydrophobicContact CD1-CD1 4.03Å; F953-I990 HydrophobicContact CE1-CG2 4.48Å; F953-I990 HydrophobicContact CG-CD1 4.11Å |
| 954 | S | 55.5 | Low | 57.5 | Low | 74 Ų | 74 | 101 Ų | 101 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -45.2 | -31.6 | 176.9 | -43.4 | 0 | 0 | 0 | 0 | 114.8 | Y950 S951 Y956 N957 | Y950-S954 PolarHBondContact O-N 3.43Å; Y950-S954 PolarHBondContact O-OG 3.13Å; S951-S954 VanDerWaalsContact C-OG 3.26Å; S951-S954 VanDerWaalsContact CA-OG 3.32Å; S951-S954 WeakPolarHBondContact CA-OG 3.46Å; S951-S954 PolarHBondContact O-OG 2.96Å; S954-Y956 PolarHBondContact O-N 3.3Å; S954-Y956 VanDerWaalsContact O-N 3.13Å; S954-N957 PolarHBondContact O-N 3.37Å |
| 955 | V | 52.9 | Low | 56.4 | Low | 119 Ų | 119 | 100.9 Ų | 100.9 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -58.4 | -24.4 | -178.1 | -174.4 | 0 | 0 | 0 | 0 | 113 | F953 | F953-V955 PolarHBondContact O-N 2.91Š|
| 956 | Y | 46.7 | Very low | 55 | Low | 200 Ų | 200 | 105.9 Ų | 105.9 | 78% | 0.784 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -103.9 | 0.9 | -175.6 | -68.1 | -78.1 | 0 | 0 | 0 | 115.1 | F953 S954 | F953-Y956 PolarHBondContact O-N 2.89Å; F953-Y956 VanDerWaalsContact O-N 3.08Å; S954-Y956 PolarHBondContact O-N 3.3Å; S954-Y956 VanDerWaalsContact O-N 3.13Å |
| 957 | N | 50.2 | Low | 54.5 | Low | 82 Ų | 82 | 110.8 Ų | 110.8 | 44% | 0.439 | 58% | 0.582 | S | S | . | * | trans | -126.7 | 74.6 | -170.6 | -160.1 | -9.5 | 0 | 0 | 0 | 112.7 | S954 N959 | S954-N957 PolarHBondContact O-N 3.37Å; N957-N959 VanDerWaalsContact C-N 3.26Å; N957-N959 PolarHBondContact O-N 2.97Å | ||
| 958 | T | 39.8 | Very low | 54.6 | Low | 128 Ų | 128 | 106.7 Ų | 106.7 | 79% | 0.785 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -1.2 | -170.2 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 959 | N | 40.2 | Very low | 55.1 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 78% | 0.781 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | 21.5 | -163.5 | -79.4 | -9.9 | 0 | 0 | 0 | 116.1 | N957 | N957-N959 VanDerWaalsContact C-N 3.26Å; N957-N959 PolarHBondContact O-N 2.97Å |
| 960 | K | 44.5 | Very low | 55.9 | Low | 137 Ų | 137 | 101.6 Ų | 101.6 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | trans | -118.8 | 102.1 | 165.3 | -89.4 | -172.3 | 173.6 | -179.6 | 0 | 110.9 | E968 | K960-E968 IonicContact NZ-OE1 3.45Å; K960-E968 PolarHBondContact NZ-OE1 3.15Å | ||
| 961 | Q | 37.6 | Very low | 57 | Low | 188 Ų | 188 | 99 Ų | 99 | 88% | 0.879 | 53% | 0.534 | S | S | * | . | trans | -69.8 | 156.9 | 160.9 | -72.7 | -176.9 | -12 | 0 | 0 | 110.2 | G963 | Q961-G963 PolarHBondContact O-N 2.87Š| ||
| 962 | S | 38.9 | Very low | 58 | Low | 129 Ų | 129 | 96.1 Ų | 96.1 | 90% | 0.902 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -29.6 | 96.8 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 963 | G | 45.5 | Very low | 59.1 | Low | 64 Ų | 64 | 88.6 Ų | 88.6 | 66% | 0.66 | 49% | 0.485 | S | S | * | . | trans | -116.2 | 153.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q961 I965 | Q961-G963 PolarHBondContact O-N 2.87Å; G963-I965 PolarHBondContact O-N 3.36Å | ||
| 964 | S | 50.3 | Low | 60.2 | Low | 93 Ų | 93 | 91.2 Ų | 91.2 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | trans | -68.4 | 130.2 | 176.5 | 47 | 0 | 0 | 0 | 0 | 110.9 | Q966 | S964-Q966 PolarHBondContact O-N 3.06Å; S964-Q966 PolarHBondContact OG-OE1 3.14Å | ||
| 965 | I | 54.4 | Low | 61.5 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | trans | -78.3 | 78.6 | 170.3 | -52.8 | 172.3 | 0 | 0 | 0 | 108 | R947 G963 E968 | R947-I965 HydrophobicContact CG-CD1 4.17Å; G963-I965 PolarHBondContact O-N 3.36Å; I965-E968 HydrophobicContact CG2-CB 4.38Å | ||
| 966 | Q | 53.5 | Low | 62.6 | Low | 146 Ų | 146 | 89.6 Ų | 89.6 | 68% | 0.682 | 49% | 0.493 | S | S | * | . | trans | -121.8 | 137.7 | 168.3 | -72.6 | 169.1 | -37.3 | 0 | 0 | 106.4 | S964 E968 | S964-Q966 PolarHBondContact O-N 3.06Å; S964-Q966 PolarHBondContact OG-OE1 3.14Å; Q966-E968 PolarHBondContact O-N 3.42Å | ||
| 967 | N | 62.4 | Low | 64.2 | Low | 111 Ų | 111 | 84.2 Ų | 84.2 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 66 | 19.8 | -177.1 | -57.5 | 3.5 | 0 | 0 | 0 | 118 | R920 | R920-N967 VanDerWaalsContact CZ-O 3.29Å; R920-N967 PolarHBondContact NH1-O 2.72Å; R920-N967 PolarHBondContact NH2-O 3.14Å |
| 968 | E | 72.3 | Confident | 65.9 | Low | 47 Ų | 47 | 80.5 Ų | 80.5 | 22% | 0.22 | 46% | 0.458 | C | S | . | . | trans | -95.5 | 121.1 | 164.6 | -62.2 | -161.2 | 173 | 0 | 0 | 111.2 | Y950 K960 I965 Q966 H983 | Y950-E968 VanDerWaalsContact CE2-OE2 3.29Å; Y950-E968 WeakPolarHBondContact CE2-OE2 3.27Å; Y950-E968 VanDerWaalsContact CZ-OE2 3.28Å; Y950-E968 PolarHBondContact OH-OE2 3.04Å; K960-E968 IonicContact NZ-OE1 3.45Å; K960-E968 PolarHBondContact NZ-OE1 3.15Å; I965-E968 HydrophobicContact CG2-CB 4.38Å; Q966-E968 PolarHBondContact O-N 3.42Å; E968-H983 IonicContact OE1-CE1 3.17Å; E968-H983 PolarHBondContact OE1-CE1 3.44Å; E968-H983 IonicContact OE1-ND1 2.86Å; E968-H983 PolarHBondContact OE1-ND1 3.29Å; E968-H983 IonicContact OE2-CE1 3.14Å; E968-H983 PolarHBondContact OE2-CE1 2.79Å; E968-H983 IonicContact OE2-ND1 2.73Å | ||
| 969 | D | 85.1 | Confident | 68.2 | Low | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.214 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134 | 169.8 | -73.1 | -45.3 | 0 | 0 | 0 | 109.5 | R920 P923 L940 C981 L982 | R920-D969 IonicContact CZ-OD2 2.71Å; R920-D969 IonicContact NE-OD2 3.72Å; R920-D969 PolarHBondContact NE-OD2 2.89Å; R920-D969 IonicContact NH2-OD1 3.4Å; R920-D969 IonicContact NH2-OD2 3.72Å; R920-D969 PolarHBondContact NH2-OD2 3.29Å; P923-D969 HydrophobicContact CB-CB 4.38Å; P923-D969 HydrophobicContact CG-CB 4.45Å; L940-D969 HydrophobicContact CD1-CB 3.83Å; D969-C981 CarbonylContact O-C 3.55Å; D969-C981 WeakPolarHBondContact O-CA 3.47Å; D969-L982 HydrophobicContact CB-CB 4.24Å; D969-L982 PolarHBondContact N-O 2.99Å; D969-L982 VanDerWaalsContact N-O 3.08Å; D969-L982 PolarHBondContact O-N 3.03Å |
| 970 | V | 86.2 | Confident | 70.4 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.03 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.4 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | A941 A946 Y950 L972 | A941-V970 WeakPolarHBondContact CB-O 3.42Å; A941-V970 PolarHBondContact N-O 3.01Å; A946-V970 HydrophobicContact CB-CB 3.95Å; A946-V970 HydrophobicContact CB-CG2 3.88Å; Y950-V970 HydrophobicContact CD2-CG2 4.13Å; Y950-V970 HydrophobicContact CE2-CG2 3.78Å; V970-L972 HydrophobicContact CG1-CD2 3.84Å; V970-L972 HydrophobicContact CG1-CG 4.31Å |
| 971 | I | 89.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.8 | 174.8 | -56.8 | 167.6 | 0 | 0 | 0 | 108.3 | P923 L926 I927 A938 Y939 L940 F973 L979 I980 L982 | P923-I971 HydrophobicContact CB-CD1 4.15Å; P923-I971 HydrophobicContact CB-CG1 4.33Å; L926-I971 HydrophobicContact CD2-CD1 3.86Å; L926-I971 HydrophobicContact CG-CD1 4.32Å; I927-I971 HydrophobicContact CD1-CD1 4.41Å; I927-I971 HydrophobicContact CD1-CG1 4.2Å; I927-I971 HydrophobicContact CD1-CG2 4.06Å; I927-I971 HydrophobicContact CG1-CD1 4.12Å; I927-I971 HydrophobicContact CG1-CG1 4.35Å; I927-I971 HydrophobicContact CG1-CG2 3.82Å; A938-I971 HydrophobicContact CB-CG2 3.97Å; Y939-I971 CarbonylContact O-C 3.57Å; Y939-I971 WeakPolarHBondContact O-CA 3.45Å; L940-I971 HydrophobicContact CD1-CG1 4.47Å; I971-F973 HydrophobicContact CB-CE2 4.47Å; I971-F973 HydrophobicContact CG2-CE2 3.82Å; I971-F973 HydrophobicContact CG2-CZ 4.07Å; I971-L979 WeakPolarHBondContact O-CA 3.14Å; I971-I980 HydrophobicContact CB-CB 4.32Å; I971-I980 PolarHBondContact N-O 3.36Å; I971-I980 PolarHBondContact O-N 2.88Å; I971-L982 HydrophobicContact CD1-CD1 4.11Å |
| 972 | L | 86.8 | Confident | 74.5 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 153 | 177.4 | -60.7 | 179.9 | 0 | 0 | 0 | 110.6 | A938 Y939 A941 T945 V949 V970 L979 | A938-L972 CarbonylContact C-O 3.59Å; A938-L972 WeakPolarHBondContact CA-O 3.34Å; Y939-L972 HydrophobicContact CD1-CB 4.38Å; Y939-L972 HydrophobicContact CE1-CB 3.83Å; Y939-L972 HydrophobicContact CE2-CB 4.33Å; Y939-L972 HydrophobicContact CE2-CD1 4.37Å; Y939-L972 PolarHBondContact N-O 3.5Å; Y939-L972 PolarHBondContact O-N 3Å; A941-L972 HydrophobicContact CB-CD1 3.66Å; A941-L972 HydrophobicContact CB-CG 3.94Å; T945-L972 HydrophobicContact CG2-CD1 3.87Å; V949-L972 HydrophobicContact CB-CD2 4.39Å; V949-L972 HydrophobicContact CG1-CD2 3.88Å; V949-L972 HydrophobicContact CG2-CD1 3.88Å; V949-L972 HydrophobicContact CG2-CD2 4.38Å; V970-L972 HydrophobicContact CG1-CD2 3.84Å; V970-L972 HydrophobicContact CG1-CG 4.31Å; L972-L979 HydrophobicContact CD2-CB 3.89Å; L972-L979 HydrophobicContact CD2-CD2 4.42Å |
| 973 | F | 88.8 | Confident | 76.3 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -122 | 162.2 | -178.6 | -64.2 | -105.4 | 0 | 0 | 0 | 109.7 | L930 V935 A938 I971 N975 T978 I980 I1000 | L930-F973 HydrophobicContact CD1-CE1 4.22Å; L930-F973 HydrophobicContact CD1-CZ 3.91Å; V935-F973 HydrophobicContact CG1-CD1 4.01Å; V935-F973 HydrophobicContact CG1-CE1 3.63Å; A938-F973 HydrophobicContact CB-CD1 3.76Å; A938-F973 HydrophobicContact CB-CE1 3.47Å; A938-F973 VanDerWaalsContact CB-CE1 3.47Å; A938-F973 HydrophobicContact CB-CG 4.42Å; A938-F973 HydrophobicContact CB-CZ 3.9Å; I971-F973 HydrophobicContact CB-CE2 4.47Å; I971-F973 HydrophobicContact CG2-CE2 3.82Å; I971-F973 HydrophobicContact CG2-CZ 4.07Å; F973-N975 PolarHBondContact O-N 3.45Å; F973-T978 HydrophobicContact CB-CG2 4.34Å; F973-T978 HydrophobicContact CD1-CG2 4.36Å; F973-T978 HydrophobicContact CD2-CG2 3.73Å; F973-T978 WeakPolarHBondContact CD2-O 3.29Å; F973-T978 HydrophobicContact CE2-CG2 4.11Å; F973-T978 HydrophobicContact CG-CG2 3.88Å; F973-I980 HydrophobicContact CE2-CD1 3.97Å; F973-I980 HydrophobicContact CE2-CG1 3.92Å; F973-I980 HydrophobicContact CZ-CD1 3.7Å; F973-I980 HydrophobicContact CZ-CG1 4.17Å; F973-I1000 HydrophobicContact CZ-CD1 4.28Å | ||
| 974 | P | 84.1 | Confident | 77.3 | Confident | 99 Ų | 99 | 48.6 Ų | 48.6 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -64.5 | -22.4 | 177.7 | -20.6 | 34.4 | 0 | 0 | 0 | 112.8 | G937 P976 | G937-P974 WeakPolarHBondContact O-CD 3.11Å; P974-P976 WeakPolarHBondContact O-CD 3.26Å |
| 975 | N | 82 | Confident | 78 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -82 | 113.1 | 167.3 | -179.8 | -6.1 | 0 | 0 | 0 | 109.3 | F973 N977 T978 | F973-N975 PolarHBondContact O-N 3.45Å; N975-N977 PolarHBondContact O-N 3.42Å; N975-N977 WeakPolarHBondContact OD1-CB 3.45Å; N975-N977 PolarHBondContact OD1-N 3.4Å; N975-T978 PolarHBondContact O-N 3.19Å |
| 976 | P | 76.6 | Confident | 78.5 | Confident | 95 Ų | 95 | 50.1 Ų | 50.1 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.1 | -177.1 | 29 | -36.7 | 0 | 0 | 0 | 113.8 | P974 T978 | P974-P976 WeakPolarHBondContact O-CD 3.26Å; P976-T978 VanDerWaalsContact C-N 3.3Å |
| 977 | N | 80.7 | Confident | 79.6 | Confident | 86 Ų | 86 | 45.4 Ų | 45.4 | 46% | 0.46 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 17 | 174.7 | -56.5 | -42.5 | 0 | 0 | 0 | 112.6 | N975 C991 M992 | N975-N977 PolarHBondContact O-N 3.42Å; N975-N977 WeakPolarHBondContact OD1-CB 3.45Å; N975-N977 PolarHBondContact OD1-N 3.4Å; N977-C991 WeakPolarHBondContact O-CA 3.29Å; N977-M992 HydrophobicContact CB-CB 4.22Å; N977-M992 HydrophobicContact CB-CG 3.87Å; N977-M992 PolarHBondContact O-N 3.18Å |
| 978 | T | 84.5 | Confident | 80.4 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.1 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | F973 N975 P976 I990 C991 T996 I1000 | F973-T978 HydrophobicContact CB-CG2 4.34Å; F973-T978 HydrophobicContact CD1-CG2 4.36Å; F973-T978 HydrophobicContact CD2-CG2 3.73Å; F973-T978 WeakPolarHBondContact CD2-O 3.29Å; F973-T978 HydrophobicContact CE2-CG2 4.11Å; F973-T978 HydrophobicContact CG-CG2 3.88Å; N975-T978 PolarHBondContact O-N 3.19Å; P976-T978 VanDerWaalsContact C-N 3.3Å; T978-I990 CarbonylContact C-O 3.58Å; T978-I990 VanDerWaalsContact CA-O 3.25Å; T978-I990 WeakPolarHBondContact CA-O 3.46Å; T978-C991 HydrophobicContact CG2-CB 4.04Å; T978-C991 PolarHBondContact OG1-SG 3.04Å; T978-T996 HydrophobicContact CG2-CG2 4.19Å; T978-I1000 HydrophobicContact CG2-CD1 3.96Å |
| 979 | L | 87.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 156.7 | 171.9 | 63.3 | 82.1 | 0 | 0 | 0 | 111.5 | V949 F953 I971 L972 I990 | V949-L979 HydrophobicContact CG1-CD2 3.9Å; F953-L979 HydrophobicContact CD2-CD2 3.68Å; F953-L979 HydrophobicContact CE2-CD2 3.44Å; F953-L979 VanDerWaalsContact CE2-CD2 3.44Å; F953-L979 HydrophobicContact CZ-CD2 4.11Å; I971-L979 WeakPolarHBondContact O-CA 3.14Å; L972-L979 HydrophobicContact CD2-CB 3.89Å; L972-L979 HydrophobicContact CD2-CD2 4.42Å; L979-I990 HydrophobicContact CD1-CB 4.2Å; L979-I990 HydrophobicContact CD1-CD1 4.07Å; L979-I990 HydrophobicContact CD1-CG1 4.07Å; L979-I990 HydrophobicContact CG-CB 4.17Å; L979-I990 HydrophobicContact CG-CD1 4.44Å; L979-I990 PolarHBondContact N-O 2.94Å; L979-I990 PolarHBondContact O-N 3.24Å |
| 980 | I | 87.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.5 | 172.4 | -55.9 | 168.7 | 0 | 0 | 0 | 108.3 | L926 L930 I971 F973 L982 I989 I1000 | L926-I980 HydrophobicContact CD2-CD1 4.3Å; L926-I980 HydrophobicContact CD2-CG2 4.43Å; L930-I980 HydrophobicContact CD1-CD1 3.96Å; I971-I980 HydrophobicContact CB-CB 4.32Å; I971-I980 PolarHBondContact N-O 3.36Å; I971-I980 PolarHBondContact O-N 2.88Å; F973-I980 HydrophobicContact CE2-CD1 3.97Å; F973-I980 HydrophobicContact CE2-CG1 3.92Å; F973-I980 HydrophobicContact CZ-CD1 3.7Å; F973-I980 HydrophobicContact CZ-CG1 4.17Å; I980-L982 HydrophobicContact CG2-CD2 3.72Å; I980-L982 HydrophobicContact CG2-CG 4.35Å; I980-I989 HydrophobicContact CG1-CG1 4.37Å; I980-I989 HydrophobicContact CG1-CG2 4.26Å; I980-I989 HydrophobicContact CG2-CG1 4.32Å; I980-I1000 HydrophobicContact CD1-CD1 4.17Å; I980-I1000 HydrophobicContact CD1-CG1 4.22Å; I980-I1000 HydrophobicContact CD1-CG2 3.61Å; I980-I1000 HydrophobicContact CG1-CD1 4.46Å; I980-I1000 HydrophobicContact CG1-CG2 4.22Å |
| 981 | C | 84.6 | Confident | 80.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.9 | 167.9 | -58.2 | 0 | 0 | 0 | 0 | 109 | Y950 D969 S987 H988 | Y950-C981 PolarHBondContact OH-SG 3.47Å; Y950-C981 VanDerWaalsContact OH-SG 3.38Å; D969-C981 CarbonylContact O-C 3.55Å; D969-C981 WeakPolarHBondContact O-CA 3.47Å; C981-S987 CarbonylContact O-C 3.56Å; C981-S987 WeakPolarHBondContact O-CA 3.27Å; C981-H988 HydrophobicContact CB-CB 4.38Å; C981-H988 PolarHBondContact N-O 2.75Å; C981-H988 PolarHBondContact O-N 2.82Å |
| 982 | L | 83.6 | Confident | 80 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.8 | 172.8 | -51.9 | 176.9 | 0 | 0 | 0 | 109.2 | I921 P923 L926 D969 I971 I980 | I921-L982 HydrophobicContact CB-CD1 4.4Å; I921-L982 HydrophobicContact CG2-CD1 4.43Å; I921-L982 WeakPolarHBondContact O-CD1 3.42Å; P923-L982 HydrophobicContact CB-CD1 4.09Å; L926-L982 HydrophobicContact CD2-CD1 4.21Å; L926-L982 HydrophobicContact CD2-CD2 4.09Å; D969-L982 HydrophobicContact CB-CB 4.24Å; D969-L982 PolarHBondContact N-O 2.99Å; D969-L982 VanDerWaalsContact N-O 3.08Å; D969-L982 PolarHBondContact O-N 3.03Å; I971-L982 HydrophobicContact CD1-CD1 4.11Å; I980-L982 HydrophobicContact CG2-CD2 3.72Å; I980-L982 HydrophobicContact CG2-CG 4.35Å |
| 983 | H | 76.7 | Confident | 79.8 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 162.1 | 174.8 | -45.1 | -77.6 | 0 | 0 | 0 | 108.7 | E968 H985 G986 | E968-H983 IonicContact OE1-CE1 3.17Å; E968-H983 PolarHBondContact OE1-CE1 3.44Å; E968-H983 IonicContact OE1-ND1 2.86Å; E968-H983 PolarHBondContact OE1-ND1 3.29Å; E968-H983 IonicContact OE2-CE1 3.14Å; E968-H983 PolarHBondContact OE2-CE1 2.79Å; E968-H983 IonicContact OE2-ND1 2.73Å; H983-H985 PolarHBondContact O-N 2.78Å; H983-G986 PolarHBondContact N-O 3.3Å; H983-G986 PolarHBondContact O-N 2.7Å; H983-G986 VanDerWaalsContact O-O 3.05Å |
| 984 | D | 67.5 | Low | 79.3 | Confident | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.1 | -179.9 | -65 | -57.4 | 0 | 0 | 0 | 114.3 | R920 | R920-D984 IonicContact CZ-OD1 2.68Å; R920-D984 VanDerWaalsContact NH1-CG 3.34Å; R920-D984 IonicContact NH1-OD1 2.69Å; R920-D984 PolarHBondContact NH1-OD1 3.38Å; R920-D984 IonicContact NH1-OD2 3.91Å |
| 985 | H | 63.2 | Low | 79.2 | Confident | 163 Ų | 163 | 59.3 Ų | 59.3 | 76% | 0.755 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.7 | 24.2 | -177.2 | -56.5 | -24.5 | 0 | 0 | 0 | 113.5 | H983 | H983-H985 PolarHBondContact O-N 2.78Š|
| 986 | G | 66.5 | Low | 79.2 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 42% | 0.423 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | 173.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | H983 | H983-G986 PolarHBondContact N-O 3.3Å; H983-G986 PolarHBondContact O-N 2.7Å; H983-G986 VanDerWaalsContact O-O 3.05Å |
| 987 | S | 76.3 | Confident | 79.5 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 34% | 0.336 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.3 | 171.7 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | C981 | C981-S987 CarbonylContact O-C 3.56Å; C981-S987 WeakPolarHBondContact O-CA 3.27Å |
| 988 | H | 78.8 | Confident | 79.5 | Confident | 90 Ų | 90 | 57.5 Ų | 57.5 | 42% | 0.417 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.3 | 177.4 | -177.9 | -94.1 | 0 | 0 | 0 | 109.3 | C981 | C981-H988 HydrophobicContact CB-CB 4.38Å; C981-H988 PolarHBondContact N-O 2.75Å; C981-H988 PolarHBondContact O-N 2.82Å |
| 989 | I | 81.9 | Confident | 79.5 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 33% | 0.328 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.1 | -170.1 | -52.7 | 154.3 | 0 | 0 | 0 | 108 | I980 C991 I1000 I1004 | I980-I989 HydrophobicContact CG1-CG1 4.37Å; I980-I989 HydrophobicContact CG1-CG2 4.26Å; I980-I989 HydrophobicContact CG2-CG1 4.32Å; I989-C991 HydrophobicContact CG2-CB 4.36Å; I989-I1000 HydrophobicContact CD1-CG2 3.92Å; I989-I1000 HydrophobicContact CG1-CG2 4.23Å; I989-I1000 HydrophobicContact CG2-CD1 4.43Å; I989-I1000 HydrophobicContact CG2-CG2 4.09Å; I989-I1004 HydrophobicContact CD1-CD1 3.67Å; I989-I1004 HydrophobicContact CG1-CD1 4.12Å |
| 990 | I | 81.2 | Confident | 79.5 | Confident | 47 Ų | 47 | 58 Ų | 58 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.5 | 166.7 | -54.9 | 179.1 | 0 | 0 | 0 | 106 | F953 T978 L979 | F953-I990 HydrophobicContact CB-CD1 4.25Å; F953-I990 HydrophobicContact CD1-CD1 4.03Å; F953-I990 HydrophobicContact CE1-CG2 4.48Å; F953-I990 HydrophobicContact CG-CD1 4.11Å; T978-I990 CarbonylContact C-O 3.58Å; T978-I990 VanDerWaalsContact CA-O 3.25Å; T978-I990 WeakPolarHBondContact CA-O 3.46Å; L979-I990 HydrophobicContact CD1-CB 4.2Å; L979-I990 HydrophobicContact CD1-CD1 4.07Å; L979-I990 HydrophobicContact CD1-CG1 4.07Å; L979-I990 HydrophobicContact CG-CB 4.17Å; L979-I990 HydrophobicContact CG-CD1 4.44Å; L979-I990 PolarHBondContact N-O 2.94Å; L979-I990 PolarHBondContact O-N 3.24Å |
| 991 | C | 83.5 | Confident | 79.2 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 133.9 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | N977 T978 I989 D993 R997 | N977-C991 WeakPolarHBondContact O-CA 3.29Å; T978-C991 HydrophobicContact CG2-CB 4.04Å; T978-C991 PolarHBondContact OG1-SG 3.04Å; I989-C991 HydrophobicContact CG2-CB 4.36Å; C991-D993 PolarHBondContact SG-O 3.12Å; C991-R997 HydrophobicContact CB-CB 4.47Å |
| 992 | M | 77.7 | Confident | 79 | Confident | 154 Ų | 154 | 66.9 Ų | 66.9 | 76% | 0.759 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -95.2 | -11.1 | 178.7 | -69.1 | -63.2 | -62.5 | 0 | 0 | 114.3 | N977 | N977-M992 HydrophobicContact CB-CB 4.22Å; N977-M992 HydrophobicContact CB-CG 3.87Å; N977-M992 PolarHBondContact O-N 3.18Å |
| 993 | D | 81.9 | Confident | 79 | Confident | 63 Ų | 63 | 66.7 Ų | 66.7 | 34% | 0.337 | 35% | 0.347 | S | S | . | . | trans | -104.3 | 127.5 | -179.1 | 175 | 66.9 | 0 | 0 | 0 | 111.4 | C991 S995 T996 R997 | C991-D993 PolarHBondContact SG-O 3.12Å; D993-S995 PolarHBondContact O-N 3.07Å; D993-S995 WeakPolarHBondContact OD2-CB 3.41Å; D993-S995 PolarHBondContact OD2-N 2.85Å; D993-S995 PolarHBondContact OD2-OG 3.23Å; D993-T996 PolarHBondContact O-N 2.83Å; D993-T996 VanDerWaalsContact OD2-CB 3.29Å; D993-T996 WeakPolarHBondContact OD2-CB 3.37Å; D993-T996 PolarHBondContact OD2-N 2.83Å; D993-T996 PolarHBondContact OD2-OG1 2.85Å; D993-R997 VanDerWaalsContact O-CB 3.25Å; D993-R997 WeakPolarHBondContact O-CB 3.49Å; D993-R997 PolarHBondContact O-N 3.09Å | ||
| 994 | E | 78 | Confident | 79.2 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | -174.3 | -172.4 | 56.9 | -122.3 | 0 | 0 | 112.9 | R997 T998 | E994-R997 IonicContact OE1-CZ 2.76Å; E994-R997 IonicContact OE1-NE 3.83Å; E994-R997 PolarHBondContact OE1-NE 2.9Å; E994-R997 IonicContact OE1-NH2 3.84Å; E994-R997 PolarHBondContact OE1-NH2 2.97Å; E994-R997 IonicContact OE2-CZ 2.66Å; E994-R997 IonicContact OE2-NE 2.97Å; E994-R997 PolarHBondContact OE2-NE 2.8Å; E994-R997 VanDerWaalsContact OE2-NE 3.14Å; E994-R997 IonicContact OE2-NH1 2.68Å; E994-R997 IonicContact OE2-NH2 2.71Å; E994-R997 PolarHBondContact OE2-NH2 3.36Å; E994-T998 WeakPolarHBondContact O-CB 3.37Å; E994-T998 PolarHBondContact O-N 2.81Å; E994-T998 PolarHBondContact O-OG1 3.07Å; E994-T998 PolarHBondContact OE1-OG1 2.93Å |
| 995 | S | 82.2 | Confident | 79.4 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 59% | 0.594 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -69.3 | -42.5 | 179.9 | 79.5 | 0 | 0 | 0 | 0 | 111.3 | D993 T998 A999 | D993-S995 PolarHBondContact O-N 3.07Å; D993-S995 WeakPolarHBondContact OD2-CB 3.41Å; D993-S995 PolarHBondContact OD2-N 2.85Å; D993-S995 PolarHBondContact OD2-OG 3.23Å; S995-T998 PolarHBondContact O-N 2.99Å; S995-A999 WeakPolarHBondContact O-CB 3.45Å; S995-A999 PolarHBondContact O-N 2.98Å |
| 996 | T | 83.3 | Confident | 79.9 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | V935 T978 D993 T998 A999 I1000 | V935-T996 HydrophobicContact CG1-CG2 4.16Å; T978-T996 HydrophobicContact CG2-CG2 4.19Å; D993-T996 PolarHBondContact O-N 2.83Å; D993-T996 VanDerWaalsContact OD2-CB 3.29Å; D993-T996 WeakPolarHBondContact OD2-CB 3.37Å; D993-T996 PolarHBondContact OD2-N 2.83Å; D993-T996 PolarHBondContact OD2-OG1 2.85Å; T996-T998 VanDerWaalsContact C-N 3.35Å; T996-T998 PolarHBondContact O-N 3.49Å; T996-A999 PolarHBondContact O-N 3.2Å; T996-I1000 HydrophobicContact CG2-CD1 3.86Å; T996-I1000 HydrophobicContact CG2-CG1 4.47Å; T996-I1000 WeakPolarHBondContact O-CB 3.48Å; T996-I1000 VanDerWaalsContact O-CG1 3.26Å; T996-I1000 WeakPolarHBondContact O-CG1 3.39Å; T996-I1000 PolarHBondContact O-N 3.01Å |
| 997 | R | 82.3 | Confident | 80 | Confident | 131 Ų | 131 | 61.9 Ų | 61.9 | 49% | 0.494 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.6 | -46 | 173.7 | -172.5 | -178.4 | 80.6 | 154.1 | 4.4 | 111.7 | C991 D993 E994 I1000 R1001 | C991-R997 HydrophobicContact CB-CB 4.47Å; D993-R997 VanDerWaalsContact O-CB 3.25Å; D993-R997 WeakPolarHBondContact O-CB 3.49Å; D993-R997 PolarHBondContact O-N 3.09Å; E994-R997 IonicContact OE1-CZ 2.76Å; E994-R997 IonicContact OE1-NE 3.83Å; E994-R997 PolarHBondContact OE1-NE 2.9Å; E994-R997 IonicContact OE1-NH2 3.84Å; E994-R997 PolarHBondContact OE1-NH2 2.97Å; E994-R997 IonicContact OE2-CZ 2.66Å; E994-R997 IonicContact OE2-NE 2.97Å; E994-R997 PolarHBondContact OE2-NE 2.8Å; E994-R997 VanDerWaalsContact OE2-NE 3.14Å; E994-R997 IonicContact OE2-NH1 2.68Å; E994-R997 IonicContact OE2-NH2 2.71Å; E994-R997 PolarHBondContact OE2-NH2 3.36Å; R997-I1000 PolarHBondContact O-N 3.37Å; R997-R1001 WeakPolarHBondContact O-CB 3.49Å; R997-R1001 PolarHBondContact O-N 2.8Å |
| 998 | T | 80.8 | Confident | 79.2 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 177.3 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | E994 S995 T996 I1000 R1001 D1002 | E994-T998 WeakPolarHBondContact O-CB 3.37Å; E994-T998 PolarHBondContact O-N 2.81Å; E994-T998 PolarHBondContact O-OG1 3.07Å; E994-T998 PolarHBondContact OE1-OG1 2.93Å; S995-T998 PolarHBondContact O-N 2.99Å; T996-T998 VanDerWaalsContact C-N 3.35Å; T996-T998 PolarHBondContact O-N 3.49Å; T998-I1000 VanDerWaalsContact C-N 3.35Å; T998-I1000 PolarHBondContact O-N 3.16Å; T998-R1001 PolarHBondContact O-N 2.73Å; T998-D1002 WeakPolarHBondContact O-CB 3.17Å; T998-D1002 PolarHBondContact O-N 2.27Å |
| 999 | A | 85.2 | Confident | 78.1 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V935 S995 T996 T1003 | V935-A999 HydrophobicContact CG2-CB 3.55Å; S995-A999 WeakPolarHBondContact O-CB 3.45Å; S995-A999 PolarHBondContact O-N 2.98Å; T996-A999 PolarHBondContact O-N 3.2Å; A999-T1003 VanDerWaalsContact O-CB 3.23Å; A999-T1003 WeakPolarHBondContact O-CB 3.24Å; A999-T1003 PolarHBondContact O-N 2.75Å; A999-T1003 PolarHBondContact O-OG1 2.9Å |
| 1000 | I | 86.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.8 | -50.7 | 174.1 | -68.9 | 166.2 | 0 | 0 | 0 | 110.7 | L930 F973 T978 I980 I989 T996 R997 T998 D1002 T1003 I1004 | L930-I1000 HydrophobicContact CD2-CB 4.29Å; L930-I1000 HydrophobicContact CD2-CG1 3.77Å; F973-I1000 HydrophobicContact CZ-CD1 4.28Å; T978-I1000 HydrophobicContact CG2-CD1 3.96Å; I980-I1000 HydrophobicContact CD1-CD1 4.17Å; I980-I1000 HydrophobicContact CD1-CG1 4.22Å; I980-I1000 HydrophobicContact CD1-CG2 3.61Å; I980-I1000 HydrophobicContact CG1-CD1 4.46Å; I980-I1000 HydrophobicContact CG1-CG2 4.22Å; I989-I1000 HydrophobicContact CD1-CG2 3.92Å; I989-I1000 HydrophobicContact CG1-CG2 4.23Å; I989-I1000 HydrophobicContact CG2-CD1 4.43Å; I989-I1000 HydrophobicContact CG2-CG2 4.09Å; T996-I1000 HydrophobicContact CG2-CD1 3.86Å; T996-I1000 HydrophobicContact CG2-CG1 4.47Å; T996-I1000 WeakPolarHBondContact O-CB 3.48Å; T996-I1000 VanDerWaalsContact O-CG1 3.26Å; T996-I1000 WeakPolarHBondContact O-CG1 3.39Å; T996-I1000 PolarHBondContact O-N 3.01Å; R997-I1000 PolarHBondContact O-N 3.37Å; T998-I1000 VanDerWaalsContact C-N 3.35Å; T998-I1000 PolarHBondContact O-N 3.16Å; I1000-D1002 PolarHBondContact O-N 2.79Å; I1000-T1003 PolarHBondContact O-N 3.28Å; I1000-T1003 VanDerWaalsContact O-N 3.14Å; I1000-I1004 HydrophobicContact CG2-CD1 3.67Å; I1000-I1004 HydrophobicContact CG2-CG1 4.41Å; I1000-I1004 PolarHBondContact O-N 3.36Å |
| 1001 | R | 82.2 | Confident | 74.6 | Confident | 129 Ų | 129 | 67.5 Ų | 67.5 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.2 | -54.8 | 178 | -178.9 | -162.5 | 71 | -166.2 | -2.7 | 111.1 | R997 T998 T1003 I1004 L1005 | R997-R1001 WeakPolarHBondContact O-CB 3.49Å; R997-R1001 PolarHBondContact O-N 2.8Å; T998-R1001 PolarHBondContact O-N 2.73Å; R1001-T1003 PolarHBondContact O-N 3.2Å; R1001-T1003 VanDerWaalsContact O-N 3.16Å; R1001-I1004 PolarHBondContact O-N 3.06Å; R1001-L1005 HydrophobicContact CG-CD1 4.1Å; R1001-L1005 WeakPolarHBondContact O-CB 3.12Å; R1001-L1005 VanDerWaalsContact O-CG 3.31Å; R1001-L1005 WeakPolarHBondContact O-CG 3.49Å; R1001-L1005 PolarHBondContact O-N 2.81Å |
| 1002 | D | 80.4 | Confident | 72.5 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 31% | 0.305 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -19 | -175.1 | -66.9 | -7 | 0 | 0 | 0 | 112.2 | R933 T998 I1000 | R933-D1002 PolarHBondContact NH1-O 3.44Å; T998-D1002 WeakPolarHBondContact O-CB 3.17Å; T998-D1002 PolarHBondContact O-N 2.27Å; I1000-D1002 PolarHBondContact O-N 2.79Å |
| 1003 | T | 83.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -87.7 | -39.8 | 176.1 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | L926 K929 L930 R933 A999 I1000 R1001 L1005 L1006 F1007 | L926-T1003 HydrophobicContact CD1-CG2 4.08Å; K929-T1003 HydrophobicContact CB-CG2 3.59Å; L930-T1003 HydrophobicContact CD2-CG2 4.03Å; L930-T1003 HydrophobicContact CG-CG2 4.19Å; R933-T1003 PolarHBondContact NH1-OG1 3.44Å; A999-T1003 VanDerWaalsContact O-CB 3.23Å; A999-T1003 WeakPolarHBondContact O-CB 3.24Å; A999-T1003 PolarHBondContact O-N 2.75Å; A999-T1003 PolarHBondContact O-OG1 2.9Å; I1000-T1003 PolarHBondContact O-N 3.28Å; I1000-T1003 VanDerWaalsContact O-N 3.14Å; R1001-T1003 PolarHBondContact O-N 3.2Å; R1001-T1003 VanDerWaalsContact O-N 3.16Å; T1003-L1005 VanDerWaalsContact C-N 3.27Å; T1003-L1005 PolarHBondContact O-N 3.13Å; T1003-L1006 WeakPolarHBondContact O-CB 3.5Å; T1003-L1006 PolarHBondContact O-N 3.07Å; T1003-L1006 VanDerWaalsContact O-N 3.17Å; T1003-F1007 VanDerWaalsContact O-CD2 3.26Å; T1003-F1007 WeakPolarHBondContact O-CD2 2.88Å; T1003-F1007 WeakPolarHBondContact O-CE2 3.23Å |
| 1004 | I | 79.8 | Confident | 68.4 | Low | 20 Ų | 20 | 71 Ų | 71 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 171.2 | -72 | 170.9 | 0 | 0 | 0 | 110.5 | I921 L926 I989 I1000 R1001 L1006 F1007 | I921-I1004 HydrophobicContact CD1-CG2 3.98Å; L926-I1004 HydrophobicContact CD1-CG1 3.87Å; L926-I1004 HydrophobicContact CD2-CG1 4.26Å; I989-I1004 HydrophobicContact CD1-CD1 3.67Å; I989-I1004 HydrophobicContact CG1-CD1 4.12Å; I1000-I1004 HydrophobicContact CG2-CD1 3.67Å; I1000-I1004 HydrophobicContact CG2-CG1 4.41Å; I1000-I1004 PolarHBondContact O-N 3.36Å; R1001-I1004 PolarHBondContact O-N 3.06Å; I1004-L1006 PolarHBondContact O-N 3.45Å; I1004-F1007 PolarHBondContact O-N 3.01Å |
| 1005 | L | 73 | Confident | 66.5 | Low | 40 Ų | 40 | 68.3 Ų | 68.3 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -60.7 | -23.5 | 174.4 | -75.4 | 174.3 | 0 | 0 | 0 | 114.1 | L911 R1001 T1003 F1007 V1008 H1010 | L911-L1005 HydrophobicContact CD1-CD2 3.54Å; L911-L1005 HydrophobicContact CD2-CD2 4.03Å; L911-L1005 HydrophobicContact CG-CD2 4.46Å; R1001-L1005 HydrophobicContact CG-CD1 4.1Å; R1001-L1005 WeakPolarHBondContact O-CB 3.12Å; R1001-L1005 VanDerWaalsContact O-CG 3.31Å; R1001-L1005 WeakPolarHBondContact O-CG 3.49Å; R1001-L1005 PolarHBondContact O-N 2.81Å; T1003-L1005 VanDerWaalsContact C-N 3.27Å; T1003-L1005 PolarHBondContact O-N 3.13Å; L1005-F1007 PolarHBondContact O-N 3.35Å; L1005-V1008 PolarHBondContact O-N 3.5Å; L1005-H1010 PolarHBondContact O-CE1 3.47Å; L1005-H1010 VanDerWaalsContact O-CE1 3.29Å |
| 1006 | L | 72.1 | Confident | 64.3 | Low | 92 Ų | 92 | 68.1 Ų | 68.1 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -67.7 | -21.6 | 173.4 | -66 | 178.2 | 0 | 0 | 0 | 113.4 | K929 T1003 I1004 V1008 | K929-L1006 HydrophobicContact CD-CD1 4.45Å; T1003-L1006 WeakPolarHBondContact O-CB 3.5Å; T1003-L1006 PolarHBondContact O-N 3.07Å; T1003-L1006 VanDerWaalsContact O-N 3.17Å; I1004-L1006 PolarHBondContact O-N 3.45Å; L1006-V1008 VanDerWaalsContact C-N 3.3Å |
| 1007 | F | 69 | Low | 61.7 | Low | 63 Ų | 63 | 74.5 Ų | 74.5 | 28% | 0.276 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -89.4 | 3.9 | 178.3 | -61.1 | -90.5 | 0 | 0 | 0 | 112.4 | I921 E925 L926 K929 T1003 I1004 L1005 | I921-F1007 HydrophobicContact CD1-CB 4.27Å; I921-F1007 HydrophobicContact CG1-CB 4.12Å; I921-F1007 HydrophobicContact CG1-CG 4.43Å; I921-F1007 HydrophobicContact CG2-CD1 4.19Å; I921-F1007 HydrophobicContact CG2-CD2 4.27Å; I921-F1007 HydrophobicContact CG2-CE1 4.33Å; I921-F1007 HydrophobicContact CG2-CE2 4.41Å; I921-F1007 HydrophobicContact CG2-CG 4.16Å; I921-F1007 HydrophobicContact CG2-CZ 4.43Å; E925-F1007 HydrophobicContact CB-CE1 4.35Å; E925-F1007 HydrophobicContact CG-CE1 3.87Å; E925-F1007 HydrophobicContact CG-CZ 4Å; L926-F1007 HydrophobicContact CB-CE2 4.46Å; L926-F1007 HydrophobicContact CB-CZ 4.41Å; L926-F1007 HydrophobicContact CD1-CE2 3.85Å; K929-F1007 HydrophobicContact CB-CE2 4.45Å; K929-F1007 HydrophobicContact CB-CZ 4.34Å; K929-F1007 HydrophobicContact CG-CZ 4.05Å; T1003-F1007 VanDerWaalsContact O-CD2 3.26Å; T1003-F1007 WeakPolarHBondContact O-CD2 2.88Å; T1003-F1007 WeakPolarHBondContact O-CE2 3.23Å; I1004-F1007 PolarHBondContact O-N 3.01Å; L1005-F1007 PolarHBondContact O-N 3.35Å |
| 1008 | V | 60.9 | Low | 60.7 | Low | 33 Ų | 33 | 71.7 Ų | 71.7 | 20% | 0.2 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -115.5 | 134.5 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | L911 V912 L1005 L1006 H1010 | L911-V1008 HydrophobicContact CB-CG1 4.23Å; L911-V1008 HydrophobicContact CD2-CG1 4.44Å; V912-V1008 WeakPolarHBondContact O-CG1 3.38Å; L1005-V1008 PolarHBondContact O-N 3.5Å; L1006-V1008 VanDerWaalsContact C-N 3.3Å; V1008-H1010 PolarHBondContact O-N 3.2Å |
| 1009 | H | 54.7 | Low | 59.6 | Low | 151 Ų | 151 | 73.1 Ų | 73.1 | 70% | 0.699 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 121.5 | 177.5 | -77.4 | -81.7 | 0 | 0 | 0 | 110.6 | ||
| 1010 | H | 48.1 | Very low | 58.2 | Low | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.468 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.6 | 173 | -67.1 | -25 | 0 | 0 | 0 | 110.3 | L1005 V1008 | L1005-H1010 PolarHBondContact O-CE1 3.47Å; L1005-H1010 VanDerWaalsContact O-CE1 3.29Å; V1008-H1010 PolarHBondContact O-N 3.2Å |
| 1011 | L | 41.1 | Very low | 56.6 | Low | 82 Ų | 82 | 80.4 Ų | 80.4 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 128.8 | 161.1 | -78.9 | 156.4 | 0 | 0 | 0 | 108.3 | L761 V912 | L761-L1011 HydrophobicContact CD1-CD2 4.46Å; V912-L1011 HydrophobicContact CB-CD1 4.33Å; V912-L1011 HydrophobicContact CG2-CD1 3.68Å |
| 1012 | D | 39.9 | Very low | 55 | Low | 107 Ų | 107 | 77.4 Ų | 77.4 | 57% | 0.572 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 128.2 | 169.1 | -165.7 | -15.3 | 0 | 0 | 0 | 108.9 | N1014 S1015 | D1012-N1014 PolarHBondContact O-N 3.42Å; D1012-N1014 PolarHBondContact OD1-N 3.26Å; D1012-S1015 PolarHBondContact O-N 3.25Å; D1012-S1015 VanDerWaalsContact O-N 3.07Å; D1012-S1015 PolarHBondContact O-OG 3.05Å |
| 1013 | I | 37.9 | Very low | 53.3 | Low | 73 Ų | 73 | 78.7 Ų | 78.7 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -63.4 | -29.2 | -175.5 | -118.4 | 168.1 | 0 | 0 | 0 | 110.7 | S1015 V1016 | I1013-S1015 PolarHBondContact O-N 3.29Å; I1013-V1016 PolarHBondContact O-N 2.96Å |
| 1014 | N | 36.6 | Very low | 51.1 | Low | 134 Ų | 134 | 84.4 Ų | 84.4 | 72% | 0.717 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -75.5 | 0.2 | 178.6 | -63.7 | -18.9 | 0 | 0 | 0 | 114.2 | D1012 | D1012-N1014 PolarHBondContact O-N 3.42Å; D1012-N1014 PolarHBondContact OD1-N 3.26Å |
| 1015 | S | 38.1 | Very low | 48.9 | Very low | 39 Ų | 39 | 89.3 Ų | 89.3 | 27% | 0.273 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -93.4 | 0.9 | 170.8 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | L761 D1012 I1013 | L761-S1015 WeakPolarHBondContact CD1-OG 3.41Å; D1012-S1015 PolarHBondContact O-N 3.25Å; D1012-S1015 VanDerWaalsContact O-N 3.07Å; D1012-S1015 PolarHBondContact O-OG 3.05Å; I1013-S1015 PolarHBondContact O-N 3.29Å |
| 1016 | V | 34 | Very low | 46.9 | Very low | 81 Ų | 81 | 93.4 Ų | 93.4 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | trans | -114.2 | 80.3 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 109.4 | I1013 | I1013-V1016 PolarHBondContact O-N 2.96Š| ||
| 1017 | V | 30.4 | Very low | 44.6 | Very low | 165 Ų | 165 | 93.5 Ų | 93.5 | 100% | 1 | 50% | 0.5 | S | S | * | . | trans | -140.6 | 0 | 164.9 | -174.1 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 1,017 of 1,017 residues in 337.1 ms
(Link to these results)