| 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 | 41.8 | Very low | 33.4 | Very low | 226 Ų | 226 | 163.5 Ų | 163.5 | 100% | 1.113 | 77% | 0.77 | S | S | * | * | 0 | 0.9 | 0 | -76.9 | -178.4 | -161.6 | 0 | 0 | 114 | |||||
| 2 | T | 40.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -87.7 | -13.7 | -174 | 19.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 3 | Q | 33.8 | Very low | 33.6 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -81.8 | -17.4 | -179.8 | -113.7 | 169.8 | -4.5 | 0 | 0 | 114.6 | ||
| 4 | R | 35.4 | Very low | 34.2 | Very low | 218 Ų | 218 | 166.8 Ų | 166.8 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -85.2 | -15.3 | 179 | -90.3 | -177.7 | 172.5 | 176.5 | -2.4 | 114.3 | ||
| 5 | Y | 27.5 | Very low | 35.4 | Very low | 199 Ų | 199 | 166.1 Ų | 166.1 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -78.9 | -26.6 | 178.7 | -121.8 | -95.6 | 0 | 0 | 0 | 112.7 | ||
| 6 | F | 30.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 158.7 Ų | 158.7 | 64% | 0.64 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -83.5 | -14 | 179.6 | -85.3 | -83.1 | 0 | 0 | 0 | 114.6 | ||
| 7 | S | 30.3 | Very low | 38.1 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 52% | 0.517 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -84.3 | -18.3 | 179.1 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 8 | V | 33.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 71% | 0.709 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -79.1 | -24.3 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 9 | L | 32.3 | Very low | 40.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -4.7 | 178.1 | -71.9 | 166.5 | 0 | 0 | 0 | 114.2 | ||
| 10 | R | 31.6 | Very low | 41.3 | Very low | 207 Ų | 207 | 131.7 Ų | 131.7 | 78% | 0.781 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 6.9 | -176.8 | -76.3 | -174.4 | 177.3 | -172.9 | -0.3 | 114.6 | ||
| 11 | H | 29.6 | Very low | 42.6 | Very low | 174 Ų | 174 | 125.4 Ų | 125.4 | 81% | 0.806 | 58% | 0.58 | S | S | * | * | trans | -127.3 | 7 | 179.7 | -85 | 40.8 | 0 | 0 | 0 | 115.1 | R13 | H11-R13 PolarHBondContact O-N 2.87Š| ||
| 12 | T | 32.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 66% | 0.663 | 55% | 0.552 | S | S | * | * | trans | -77 | 89.7 | 164.3 | 24.5 | 0 | 0 | 0 | 0 | 108.8 | R14 | T12-R14 PolarHBondContact O-N 2.93Š| ||
| 13 | R | 37.3 | Very low | 44.4 | Very low | 229 Ų | 229 | 122.6 Ų | 122.6 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | trans | -44.7 | 119.3 | 158.2 | -81.9 | -177.4 | 173.3 | -176 | -1.9 | 106.7 | H11 R15 | H11-R13 PolarHBondContact O-N 2.87Å; R13-R15 PolarHBondContact O-N 2.89Å | ||
| 14 | R | 41.5 | Very low | 46 | Very low | 200 Ų | 200 | 115.1 Ų | 115.1 | 76% | 0.755 | 52% | 0.519 | S | S | * | . | trans | -46.3 | 108.3 | 175.4 | -80.3 | -176.7 | 177.1 | 173.7 | -2.5 | 107.7 | T12 T16 | T12-R14 PolarHBondContact O-N 2.93Å; R14-T16 PolarHBondContact O-N 2.98Å | ||
| 15 | R | 52.8 | Low | 48 | Very low | 157 Ų | 157 | 108.4 Ų | 108.4 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | trans | -81.5 | 114.7 | 176.6 | -69.9 | -173.8 | 179.1 | -169 | -0.9 | 105.3 | R13 V19 L20 | R13-R15 PolarHBondContact O-N 2.89Å; R15-V19 HydrophobicContact CB-CB 4.14Å; R15-V19 HydrophobicContact CB-CG1 3.85Å; R15-V19 HydrophobicContact CG-CG1 3.85Å; R15-L20 HydrophobicContact CB-CD2 4.07Å; R15-L20 HydrophobicContact CB-CG 4.06Å | ||
| 16 | T | 55.3 | Low | 50.7 | Low | 47 Ų | 47 | 99 Ų | 99 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | trans | -57.2 | 157.3 | 171.5 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | R14 A18 V19 L20 S135 | R14-T16 PolarHBondContact O-N 2.98Å; T16-A18 PolarHBondContact O-N 2.79Å; T16-V19 CarbonylContact O-C 3.43Å; T16-V19 WeakPolarHBondContact O-CA 3.29Å; T16-V19 WeakPolarHBondContact O-CB 3.09Å; T16-V19 PolarHBondContact O-N 3.45Å; T16-V19 VanDerWaalsContact OG1-CG2 3.31Å; T16-V19 WeakPolarHBondContact OG1-CG2 3.27Å; T16-V19 PolarHBondContact OG1-N 3.13Å; T16-L20 PolarHBondContact O-N 3.37Å; T16-S135 WeakPolarHBondContact CA-O 3.29Å | ||
| 17 | M | 61 | Low | 53.6 | Low | 4 Ų | 4 | 93.9 Ų | 93.9 | 2% | 0.02 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 175.7 | -177.2 | 49.1 | 60.5 | 0 | 0 | 110.9 | V19 L20 L21 V48 L50 Y121 I132 | M17-V19 VanDerWaalsContact C-N 3.25Å; M17-V19 PolarHBondContact O-N 2.75Å; M17-L20 HydrophobicContact CE-CB 4.41Å; M17-L20 HydrophobicContact CE-CD1 3.67Å; M17-L20 PolarHBondContact O-N 2.54Å; M17-L20 VanDerWaalsContact O-N 3.07Å; M17-L20 HydrophobicContact SD-CB 3.94Å; M17-L20 HydrophobicContact SD-CD1 4.28Å; M17-L21 HydrophobicContact CG-CD1 3.84Å; M17-L21 HydrophobicContact CG-CG 4.27Å; M17-L21 WeakPolarHBondContact O-CB 3.14Å; M17-L21 PolarHBondContact O-N 3.15Å; M17-L21 HydrophobicContact SD-CD1 3.62Å; M17-L21 HydrophobicContact SD-CD2 4.29Å; M17-L21 HydrophobicContact SD-CG 3.56Å; M17-L21 VanDerWaalsContact SD-CG 3.56Å; M17-V48 HydrophobicContact CG-CB 4.28Å; M17-V48 HydrophobicContact CG-CG1 4.37Å; M17-V48 HydrophobicContact CG-CG2 4.26Å; M17-L50 HydrophobicContact CE-CD1 4.45Å; M17-Y121 VanDerWaalsContact CE-OH 3.28Å; M17-Y121 WeakPolarHBondContact CE-OH 3.27Å; M17-I132 HydrophobicContact CB-CG2 3.79Å; M17-I132 HydrophobicContact CE-CB 3.91Å; M17-I132 HydrophobicContact CE-CD1 3.51Å; M17-I132 HydrophobicContact CE-CG1 3.56Å; M17-I132 HydrophobicContact CE-CG2 3.59Å; M17-I132 HydrophobicContact CG-CG2 4.24Å |
| 18 | A | 56.8 | Low | 56.4 | Low | 7 Ų | 7 | 90.7 Ų | 90.7 | 6% | 0.058 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -52.4 | -42.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T16 K22 E40 | T16-A18 PolarHBondContact O-N 2.79Å; A18-K22 VanDerWaalsContact O-CA 3.29Å; A18-K22 WeakPolarHBondContact O-CA 3.14Å; A18-K22 WeakPolarHBondContact O-CB 3.45Å; A18-K22 PolarHBondContact O-N 3.46Å; A18-E40 HydrophobicContact CB-CB 4.4Å; A18-E40 HydrophobicContact CB-CG 3.71Å |
| 19 | V | 59.1 | Low | 59 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.9 | -37.2 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | R15 T16 M17 L21 K22 | R15-V19 HydrophobicContact CB-CB 4.14Å; R15-V19 HydrophobicContact CB-CG1 3.85Å; R15-V19 HydrophobicContact CG-CG1 3.85Å; T16-V19 CarbonylContact O-C 3.43Å; T16-V19 WeakPolarHBondContact O-CA 3.29Å; T16-V19 WeakPolarHBondContact O-CB 3.09Å; T16-V19 PolarHBondContact O-N 3.45Å; T16-V19 VanDerWaalsContact OG1-CG2 3.31Å; T16-V19 WeakPolarHBondContact OG1-CG2 3.27Å; T16-V19 PolarHBondContact OG1-N 3.13Å; M17-V19 VanDerWaalsContact C-N 3.25Å; M17-V19 PolarHBondContact O-N 2.75Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.07Å; V19-K22 WeakPolarHBondContact O-CB 3.39Å; V19-K22 PolarHBondContact O-N 2.68Å |
| 20 | L | 63.4 | Low | 61.5 | Low | 31 Ų | 31 | 83 Ų | 83 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 177.5 | -72.4 | 169.9 | 0 | 0 | 0 | 112 | R15 T16 M17 K24 M120 | R15-L20 HydrophobicContact CB-CD2 4.07Å; R15-L20 HydrophobicContact CB-CG 4.06Å; T16-L20 PolarHBondContact O-N 3.37Å; M17-L20 HydrophobicContact CE-CB 4.41Å; M17-L20 HydrophobicContact CE-CD1 3.67Å; M17-L20 PolarHBondContact O-N 2.54Å; M17-L20 VanDerWaalsContact O-N 3.07Å; M17-L20 HydrophobicContact SD-CB 3.94Å; M17-L20 HydrophobicContact SD-CD1 4.28Å; L20-K24 WeakPolarHBondContact O-CD 3.06Å; L20-K24 WeakPolarHBondContact O-CE 3.4Å; L20-M120 HydrophobicContact CD2-CE 4.18Å |
| 21 | L | 67.7 | Low | 64 | Low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -95.1 | -9.4 | 176.7 | -62.6 | 174.5 | 0 | 0 | 0 | 113.2 | M17 V19 E23 K24 V26 A39 L43 V82 L117 | M17-L21 HydrophobicContact CG-CD1 3.84Å; M17-L21 HydrophobicContact CG-CG 4.27Å; M17-L21 WeakPolarHBondContact O-CB 3.14Å; M17-L21 PolarHBondContact O-N 3.15Å; M17-L21 HydrophobicContact SD-CD1 3.62Å; M17-L21 HydrophobicContact SD-CD2 4.29Å; M17-L21 HydrophobicContact SD-CG 3.56Å; M17-L21 VanDerWaalsContact SD-CG 3.56Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.07Å; L21-E23 PolarHBondContact O-N 2.98Å; L21-K24 HydrophobicContact CD2-CB 4.38Å; L21-K24 HydrophobicContact CD2-CD 3.8Å; L21-K24 WeakPolarHBondContact O-CA 3.36Å; L21-K24 PolarHBondContact O-N 2.89Å; L21-V26 HydrophobicContact CB-CG2 4.28Å; L21-V26 HydrophobicContact CD2-CG2 4.42Å; L21-A39 HydrophobicContact CB-CB 4.27Å; L21-L43 HydrophobicContact CB-CD1 4.44Å; L21-L43 HydrophobicContact CD1-CD1 3.33Å; L21-L43 HydrophobicContact CG-CD1 4.5Å; L21-V82 HydrophobicContact CD1-CG2 4.34Å; L21-L117 HydrophobicContact CD2-CD1 4.19Å |
| 22 | K | 60.7 | Low | 66.5 | Low | 119 Ų | 119 | 73.8 Ų | 73.8 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54 | -39.8 | -179.2 | -177.8 | 175.3 | -176.8 | 147.3 | 0 | 112.9 | A18 V19 K24 E40 | A18-K22 VanDerWaalsContact O-CA 3.29Å; A18-K22 WeakPolarHBondContact O-CA 3.14Å; A18-K22 WeakPolarHBondContact O-CB 3.45Å; A18-K22 PolarHBondContact O-N 3.46Å; V19-K22 WeakPolarHBondContact O-CB 3.39Å; V19-K22 PolarHBondContact O-N 2.68Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-E40 HydrophobicContact CB-CB 4.29Å; K22-E40 HydrophobicContact CD-CG 4.41Å; K22-E40 WeakPolarHBondContact CD-OE2 3.38Å; K22-E40 WeakPolarHBondContact CE-OE2 3.34Å; K22-E40 HydrophobicContact CG-CB 4.22Å; K22-E40 HydrophobicContact CG-CG 4.48Å; K22-E40 IonicContact NZ-OE1 2.82Å; K22-E40 IonicContact NZ-OE2 3.7Å; K22-E40 PolarHBondContact NZ-OE2 3.49Å |
| 23 | E | 60.2 | Low | 69 | Low | 172 Ų | 172 | 75 Ų | 75 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.7 | -179.5 | -62.5 | -175.7 | 169.2 | 0 | 0 | 112.5 | L21 | L21-E23 PolarHBondContact O-N 2.98Š|
| 24 | K | 67.8 | Low | 71.4 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 12% | 0.117 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -106 | 126.2 | -175.4 | -59.7 | 178 | 177.2 | -39.5 | 0 | 108.3 | L20 L21 K22 V26 A113 E116 | L20-K24 WeakPolarHBondContact O-CD 3.06Å; L20-K24 WeakPolarHBondContact O-CE 3.4Å; L21-K24 HydrophobicContact CD2-CB 4.38Å; L21-K24 HydrophobicContact CD2-CD 3.8Å; L21-K24 WeakPolarHBondContact O-CA 3.36Å; L21-K24 PolarHBondContact O-N 2.89Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K24-V26 PolarHBondContact O-N 2.72Å; K24-A113 HydrophobicContact CB-CB 4.05Å; K24-A113 HydrophobicContact CD-CB 3.55Å; K24-A113 HydrophobicContact CG-CB 3.79Å; K24-E116 IonicContact NZ-OE2 2.59Å; K24-E116 PolarHBondContact NZ-OE2 2.87Å |
| 25 | T | 77.1 | Confident | 73.7 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | trans | -60.8 | 112.5 | 171.2 | -48.6 | 0 | 0 | 0 | 0 | 109.1 | P108 | T25-P108 HydrophobicContact CG2-CG 4.01Å; T25-P108 WeakPolarHBondContact O-CD 3.39Å | ||
| 26 | V | 84.5 | Confident | 75.2 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | trans | -113 | 134.4 | 169.6 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | L21 K24 I37 A39 C105 | L21-V26 HydrophobicContact CB-CG2 4.28Å; L21-V26 HydrophobicContact CD2-CG2 4.42Å; K24-V26 PolarHBondContact O-N 2.72Å; V26-I37 HydrophobicContact CG1-CD1 4.28Å; V26-I37 WeakPolarHBondContact O-CG1 3.41Å; V26-A39 HydrophobicContact CB-CB 3.87Å; V26-A39 HydrophobicContact CG2-CB 3.79Å; V26-C105 HydrophobicContact CG1-CB 3.69Å | ||
| 27 | M | 90.1 | Very high | 76.6 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 19% | 0.187 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 152.3 | 174.1 | -63.2 | -176.5 | 82.4 | 0 | 0 | 109 | A34 K35 C105 F106 P108 | M27-A34 HydrophobicContact CE-CB 3.58Å; M27-A34 HydrophobicContact SD-CB 4.41Å; M27-K35 CarbonylContact C-O 3.54Å; M27-K35 VanDerWaalsContact CA-O 3.23Å; M27-K35 WeakPolarHBondContact CA-O 3.01Å; M27-C105 CarbonylContact O-C 3.52Å; M27-C105 WeakPolarHBondContact O-CA 3.35Å; M27-F106 HydrophobicContact CB-CD1 4.02Å; M27-F106 HydrophobicContact CB-CE1 3.49Å; M27-F106 VanDerWaalsContact CB-CE1 3.49Å; M27-F106 HydrophobicContact CB-CE2 4.06Å; M27-F106 HydrophobicContact CB-CZ 3.52Å; M27-F106 HydrophobicContact CG-CZ 4.2Å; M27-F106 PolarHBondContact N-O 2.81Å; M27-F106 PolarHBondContact O-N 2.81Å; M27-F106 HydrophobicContact SD-CE2 4.06Å; M27-F106 HydrophobicContact SD-CZ 3.78Å; M27-P108 HydrophobicContact CG-CG 3.88Å; M27-P108 HydrophobicContact SD-CG 3.76Å |
| 28 | K | 90 | Very high | 77.6 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.4 | 172.2 | -178.3 | 160.3 | 178 | 142.2 | 0 | 109.5 | Q30 K35 I37 Y71 E80 D103 | K28-Q30 HydrophobicContact CG-CG 4.14Å; K28-K35 PolarHBondContact N-O 3.27Å; K28-K35 PolarHBondContact O-N 3.34Å; K28-I37 HydrophobicContact CB-CD1 4.11Å; K28-I37 HydrophobicContact CB-CG1 4.4Å; K28-I37 HydrophobicContact CB-CG2 3.8Å; K28-Y71 PolarHBondContact NZ-OH 3.13Å; K28-E80 IonicContact NZ-OE2 3.5Å; K28-E80 PolarHBondContact NZ-OE2 2.92Å; K28-D103 WeakPolarHBondContact CE-O 3.43Å; K28-D103 PolarHBondContact NZ-O 2.94Å |
| 29 | M | 88.5 | Confident | 78.8 | Confident | 14 Ų | 14 | 62.6 Ų | 62.6 | 7% | 0.069 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.8 | 166.6 | -72.2 | -60.9 | -68.1 | 0 | 0 | 109 | E33 A34 M97 L98 D103 W104 F106 | M29-E33 WeakPolarHBondContact CA-O 3.33Å; M29-A34 HydrophobicContact SD-CB 3.88Å; M29-M97 HydrophobicContact CB-CE 4.27Å; M29-M97 HydrophobicContact CG-CB 4.36Å; M29-M97 HydrophobicContact CG-CE 3.33Å; M29-L98 HydrophobicContact CE-CD2 3.71Å; M29-L98 HydrophobicContact CE-CG 4.47Å; M29-D103 CarbonylContact O-C 3.4Å; M29-D103 WeakPolarHBondContact O-CA 3.14Å; M29-D103 VanDerWaalsContact O-CB 3.27Å; M29-D103 WeakPolarHBondContact O-CB 3.31Å; M29-W104 PolarHBondContact N-O 2.84Å; M29-F106 HydrophobicContact CG-CD1 4.1Å; M29-F106 HydrophobicContact CG-CE1 3.93Å; M29-F106 HydrophobicContact SD-CE1 3.91Å |
| 30 | Q | 85 | Confident | 79.7 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 118 | 171.9 | -67.6 | -172.1 | -24.5 | 0 | 0 | 108.3 | K28 G32 E33 | K28-Q30 HydrophobicContact CG-CG 4.14Å; Q30-G32 PolarHBondContact O-N 2.61Å; Q30-E33 PolarHBondContact N-O 2.89Å; Q30-E33 PolarHBondContact O-N 3.23Å |
| 31 | N | 83.3 | Confident | 80.6 | Confident | 148 Ų | 148 | 66.6 Ų | 66.6 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.7 | 177.1 | -57.6 | -37.9 | 0 | 0 | 0 | 113.2 | E33 D103 | N31-E33 VanDerWaalsContact C-N 3.28Å; N31-E33 PolarHBondContact O-N 3.41Å; N31-D103 PolarHBondContact N-OD1 3.12Å |
| 32 | G | 81.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q30 | Q30-G32 PolarHBondContact O-N 2.61Š|
| 33 | E | 85.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 63.4 Ų | 63.4 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.9 | 176 | -65.5 | -175.1 | 168.9 | 0 | 0 | 111.5 | M29 Q30 N31 | M29-E33 WeakPolarHBondContact CA-O 3.33Å; Q30-E33 PolarHBondContact N-O 2.89Å; Q30-E33 PolarHBondContact O-N 3.23Å; N31-E33 VanDerWaalsContact C-N 3.28Å; N31-E33 PolarHBondContact O-N 3.41Å |
| 34 | A | 88.2 | Confident | 83.3 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M27 M29 F106 | M27-A34 HydrophobicContact CE-CB 3.58Å; M27-A34 HydrophobicContact SD-CB 4.41Å; M29-A34 HydrophobicContact SD-CB 3.88Å; A34-F106 HydrophobicContact CB-CE1 3.81Å; A34-F106 HydrophobicContact CB-CZ 3.66Å |
| 35 | K | 88.9 | Confident | 83.4 | Confident | 94 Ų | 94 | 63.6 Ų | 63.6 | 41% | 0.409 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 139.9 | 175.7 | -65 | -175.7 | -170.2 | 164.6 | 0 | 111.2 | M27 K28 | M27-K35 CarbonylContact C-O 3.54Å; M27-K35 VanDerWaalsContact CA-O 3.23Å; M27-K35 WeakPolarHBondContact CA-O 3.01Å; K28-K35 PolarHBondContact N-O 3.27Å; K28-K35 PolarHBondContact O-N 3.34Å |
| 36 | C | 84.9 | Confident | 83.4 | Confident | 101 Ų | 101 | 61.3 Ų | 61.3 | 68% | 0.682 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 133.5 | 167.6 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 37 | I | 84.4 | Confident | 82.8 | Confident | 45 Ų | 45 | 62 Ų | 62 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | trans | -125 | 158 | 177.8 | 58.5 | 158.3 | 0 | 0 | 0 | 110.6 | V26 K28 A39 H42 | V26-I37 HydrophobicContact CG1-CD1 4.28Å; V26-I37 WeakPolarHBondContact O-CG1 3.41Å; K28-I37 HydrophobicContact CB-CD1 4.11Å; K28-I37 HydrophobicContact CB-CG1 4.4Å; K28-I37 HydrophobicContact CB-CG2 3.8Å; I37-A39 PolarHBondContact O-N 3.43Å; I37-H42 HydrophobicContact CD1-CB 3.87Å | ||
| 38 | N | 82.9 | Confident | 82.2 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | trans | -77.5 | 97.6 | 163.5 | -176.1 | -19.1 | 0 | 0 | 0 | 108.5 | E40 E41 H42 | N38-E40 VanDerWaalsContact C-N 3.25Å; N38-E40 PolarHBondContact O-N 3.23Å; N38-E40 PolarHBondContact OD1-N 3.41Å; N38-E41 HydrophobicContact CB-CB 4.09Å; N38-E41 PolarHBondContact O-N 3.18Å; N38-E41 PolarHBondContact OD1-N 3.02Å; N38-H42 WeakPolarHBondContact O-CB 3.46Å; N38-H42 PolarHBondContact O-N 3.37Å | ||
| 39 | A | 82 | Confident | 81.8 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | L21 V26 I37 E41 L43 | L21-A39 HydrophobicContact CB-CB 4.27Å; V26-A39 HydrophobicContact CB-CB 3.87Å; V26-A39 HydrophobicContact CG2-CB 3.79Å; I37-A39 PolarHBondContact O-N 3.43Å; A39-E41 PolarHBondContact O-N 2.91Å; A39-L43 HydrophobicContact CB-CD1 4.44Å; A39-L43 VanDerWaalsContact O-CB 3.25Å; A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 VanDerWaalsContact O-CG 3.25Å; A39-L43 WeakPolarHBondContact O-CG 3.5Å; A39-L43 PolarHBondContact O-N 2.91Å |
| 40 | E | 77.9 | Confident | 81.5 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -41.9 | -178.7 | -167.8 | -161.1 | 157.7 | 0 | 0 | 111.4 | A18 K22 N38 R44 | A18-E40 HydrophobicContact CB-CB 4.4Å; A18-E40 HydrophobicContact CB-CG 3.71Å; K22-E40 HydrophobicContact CB-CB 4.29Å; K22-E40 HydrophobicContact CD-CG 4.41Å; K22-E40 WeakPolarHBondContact CD-OE2 3.38Å; K22-E40 WeakPolarHBondContact CE-OE2 3.34Å; K22-E40 HydrophobicContact CG-CB 4.22Å; K22-E40 HydrophobicContact CG-CG 4.48Å; K22-E40 IonicContact NZ-OE1 2.82Å; K22-E40 IonicContact NZ-OE2 3.7Å; K22-E40 PolarHBondContact NZ-OE2 3.49Å; N38-E40 VanDerWaalsContact C-N 3.25Å; N38-E40 PolarHBondContact O-N 3.23Å; N38-E40 PolarHBondContact OD1-N 3.41Å; E40-R44 VanDerWaalsContact CD-NH2 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.47Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 IonicContact OE1-CZ 3.23Å; E40-R44 IonicContact OE1-NH1 3.71Å; E40-R44 IonicContact OE1-NH2 3.69Å; E40-R44 PolarHBondContact OE1-NH2 2.84Å |
| 41 | E | 82.5 | Confident | 81.8 | Confident | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.9 | -49.4 | 178.6 | -175 | 178.9 | 173.4 | 0 | 0 | 111.4 | N38 A39 L43 R44 | N38-E41 HydrophobicContact CB-CB 4.09Å; N38-E41 PolarHBondContact O-N 3.18Å; N38-E41 PolarHBondContact OD1-N 3.02Å; A39-E41 PolarHBondContact O-N 2.91Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.33Å; E41-R44 WeakPolarHBondContact O-CB 3.08Å; E41-R44 PolarHBondContact O-N 2.84Å |
| 42 | H | 85 | Confident | 82 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 22% | 0.222 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | -175 | -175.9 | 76.4 | 0 | 0 | 0 | 113.4 | I37 N38 K46 E80 | I37-H42 HydrophobicContact CD1-CB 3.87Å; N38-H42 WeakPolarHBondContact O-CB 3.46Å; N38-H42 PolarHBondContact O-N 3.37Å; H42-K46 WeakPolarHBondContact O-CD 3.39Å; H42-K46 WeakPolarHBondContact O-CE 3.38Å; H42-E80 IonicContact CD2-OE2 3.58Å; H42-E80 IonicContact CE1-OE2 3.65Å; H42-E80 IonicContact NE2-OE2 2.85Å; H42-E80 PolarHBondContact NE2-OE2 3.16Å |
| 43 | L | 80.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -1.9 | -178.3 | -57.2 | 176.1 | 0 | 0 | 0 | 113 | L21 A39 E41 G45 K46 V48 E80 V82 | L21-L43 HydrophobicContact CB-CD1 4.44Å; L21-L43 HydrophobicContact CD1-CD1 3.33Å; L21-L43 HydrophobicContact CG-CD1 4.5Å; A39-L43 HydrophobicContact CB-CD1 4.44Å; A39-L43 VanDerWaalsContact O-CB 3.25Å; A39-L43 WeakPolarHBondContact O-CB 3.4Å; A39-L43 VanDerWaalsContact O-CG 3.25Å; A39-L43 WeakPolarHBondContact O-CG 3.5Å; A39-L43 PolarHBondContact O-N 2.91Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.33Å; L43-G45 PolarHBondContact O-N 3.16Å; L43-K46 PolarHBondContact O-N 3.5Å; L43-V48 HydrophobicContact CB-CG2 4.18Å; L43-V48 HydrophobicContact CD1-CG2 4.5Å; L43-V48 HydrophobicContact CD2-CG2 4.05Å; L43-V48 HydrophobicContact CG-CG2 4.48Å; L43-E80 HydrophobicContact CD2-CB 3.78Å; L43-E80 HydrophobicContact CD2-CG 3.53Å; L43-V82 HydrophobicContact CD1-CG2 4.22Å; L43-V82 HydrophobicContact CD2-CG2 4.29Å |
| 44 | R | 78.6 | Confident | 83 | Confident | 145 Ų | 145 | 40.6 Ų | 40.6 | 55% | 0.547 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 126.1 | -178.3 | -169.5 | 179.9 | -56.6 | -80.4 | -5 | 110.3 | E40 E41 K46 | E40-R44 VanDerWaalsContact CD-NH2 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.47Å; E40-R44 PolarHBondContact O-N 3.46Å; E40-R44 IonicContact OE1-CZ 3.23Å; E40-R44 IonicContact OE1-NH1 3.71Å; E40-R44 IonicContact OE1-NH2 3.69Å; E40-R44 PolarHBondContact OE1-NH2 2.84Å; E41-R44 WeakPolarHBondContact O-CB 3.08Å; E41-R44 PolarHBondContact O-N 2.84Å; R44-K46 PolarHBondContact O-N 3.35Å |
| 45 | G | 70.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 59% | 0.588 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L43 | L43-G45 PolarHBondContact O-N 3.16Š|
| 46 | K | 76.6 | Confident | 83.5 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 12% | 0.122 | 21% | 0.213 | C | C | . | . | trans | -87.5 | 149.1 | 179.6 | -56.2 | -168 | -177.4 | -170.8 | 0 | 111.6 | H42 L43 R44 Q76 D77 D78 E80 A134 | H42-K46 WeakPolarHBondContact O-CD 3.39Å; H42-K46 WeakPolarHBondContact O-CE 3.38Å; L43-K46 PolarHBondContact O-N 3.5Å; R44-K46 PolarHBondContact O-N 3.35Å; K46-Q76 WeakPolarHBondContact CE-O 3.28Å; K46-Q76 PolarHBondContact NZ-O 3.34Å; K46-D77 WeakPolarHBondContact CE-O 3.49Å; K46-D78 WeakPolarHBondContact CA-O 3.38Å; K46-E80 HydrophobicContact CD-CB 4.14Å; K46-A134 WeakPolarHBondContact O-CA 3.49Å | ||
| 47 | V | 72.1 | Confident | 83.5 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.5 | 159.4 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | D78 F79 E80 I131 F224 | V47-D78 PolarHBondContact N-O 3.29Å; V47-F79 HydrophobicContact CB-CD2 4.16Å; V47-F79 HydrophobicContact CG1-CD2 4.06Å; V47-F79 HydrophobicContact CG1-CE2 4.33Å; V47-F79 WeakPolarHBondContact O-CA 3.39Å; V47-E80 PolarHBondContact O-N 3.46Å; V47-I131 HydrophobicContact CG1-CG2 3.41Å; V47-I131 VanDerWaalsContact CG1-CG2 3.41Å; V47-F224 HydrophobicContact CG1-CE2 4.41Å |
| 48 | V | 77.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.4 | -176.2 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | M17 L43 L50 E80 V82 I131 I132 | M17-V48 HydrophobicContact CG-CB 4.28Å; M17-V48 HydrophobicContact CG-CG1 4.37Å; M17-V48 HydrophobicContact CG-CG2 4.26Å; L43-V48 HydrophobicContact CB-CG2 4.18Å; L43-V48 HydrophobicContact CD1-CG2 4.5Å; L43-V48 HydrophobicContact CD2-CG2 4.05Å; L43-V48 HydrophobicContact CG-CG2 4.48Å; V48-L50 HydrophobicContact CG1-CD2 4.38Å; V48-E80 CarbonylContact C-O 3.59Å; V48-E80 WeakPolarHBondContact CA-O 3.29Å; V48-V82 HydrophobicContact CG1-CB 4.32Å; V48-V82 HydrophobicContact CG1-CG2 3.68Å; V48-I131 CarbonylContact O-C 3.56Å; V48-I131 WeakPolarHBondContact O-CA 3.27Å; V48-I132 PolarHBondContact N-O 3.29Å; V48-I132 PolarHBondContact O-N 2.87Å |
| 49 | A | 81.7 | Confident | 83 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 105.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y51 F79 E80 V81 V82 L129 V130 I131 | A49-Y51 PolarHBondContact O-N 2.99Å; A49-F79 HydrophobicContact CB-CE2 3.79Å; A49-F79 HydrophobicContact CB-CZ 3.54Å; A49-E80 PolarHBondContact N-O 3.48Å; A49-V81 HydrophobicContact CB-CG2 4.27Å; A49-V81 WeakPolarHBondContact O-CA 3.49Å; A49-V82 PolarHBondContact O-N 2.78Å; A49-L129 HydrophobicContact CB-CD1 3.88Å; A49-L129 HydrophobicContact CB-CG 4.36Å; A49-V130 CarbonylContact C-O 3.56Å; A49-V130 WeakPolarHBondContact CA-O 3.42Å; A49-I131 HydrophobicContact CB-CD1 3.46Å; A49-I131 VanDerWaalsContact CB-CD1 3.46Å |
| 50 | L | 82.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 113.6 | 167.6 | -65.4 | -179.7 | 0 | 0 | 0 | 109.1 | M17 V48 F52 V82 V84 L117 Y121 L129 V130 I132 | M17-L50 HydrophobicContact CE-CD1 4.45Å; V48-L50 HydrophobicContact CG1-CD2 4.38Å; L50-F52 HydrophobicContact CB-CD2 4.48Å; L50-F52 HydrophobicContact CB-CE2 3.75Å; L50-F52 HydrophobicContact CB-CZ 4.23Å; L50-F52 HydrophobicContact CD1-CE2 4.37Å; L50-F52 HydrophobicContact CD1-CZ 4.2Å; L50-V82 WeakPolarHBondContact CA-O 3.39Å; L50-V82 HydrophobicContact CD2-CB 3.71Å; L50-V82 HydrophobicContact CD2-CG1 3.83Å; L50-V82 HydrophobicContact CD2-CG2 4.46Å; L50-V84 HydrophobicContact CB-CG2 4.49Å; L50-V84 HydrophobicContact CD2-CG2 4.25Å; L50-L117 HydrophobicContact CD1-CD2 4.02Å; L50-Y121 HydrophobicContact CD1-CD2 3.93Å; L50-Y121 HydrophobicContact CD1-CE2 3.38Å; L50-L129 WeakPolarHBondContact O-CA 3.35Å; L50-V130 HydrophobicContact CB-CB 4.22Å; L50-V130 PolarHBondContact N-O 3.04Å; L50-V130 PolarHBondContact O-N 3.36Å; L50-I132 HydrophobicContact CB-CD1 4.17Å; L50-I132 HydrophobicContact CD1-CD1 3.43Å; L50-I132 VanDerWaalsContact CD1-CD1 3.43Å; L50-I132 HydrophobicContact CG-CD1 3.41Å; L50-I132 VanDerWaalsContact CG-CD1 3.41Å |
| 51 | Y | 91 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 104.1 | -178.6 | 178.5 | -140.5 | 0 | 0 | 0 | 110.5 | A49 S53 C60 F63 T64 L67 V82 F83 V84 W104 P127 L129 | A49-Y51 PolarHBondContact O-N 2.99Å; Y51-S53 VanDerWaalsContact CE2-CB 3.48Å; Y51-S53 WeakPolarHBondContact OH-CB 3.28Å; Y51-S53 PolarHBondContact OH-OG 3.35Å; Y51-S53 VanDerWaalsContact OH-OG 3.09Å; Y51-C60 PolarHBondContact OH-O 3.25Å; Y51-F63 HydrophobicContact CD2-CD1 4.38Å; Y51-F63 HydrophobicContact CD2-CE1 4.1Å; Y51-F63 AromaticContact CE2-CD1 3.47Å; Y51-F63 HydrophobicContact CE2-CD1 3.47Å; Y51-F63 VanDerWaalsContact CE2-CD1 3.47Å; Y51-F63 AromaticContact CE2-CE1 3.62Å; Y51-F63 HydrophobicContact CE2-CE1 3.62Å; Y51-F63 AromaticContact CZ-CD1 3.76Å; Y51-T64 HydrophobicContact CE1-CG2 4.4Å; Y51-T64 PolarHBondContact OH-OG1 3.04Å; Y51-L67 HydrophobicContact CD1-CD2 3.76Å; Y51-L67 HydrophobicContact CD2-CD2 4.14Å; Y51-L67 HydrophobicContact CE1-CD2 4.22Å; Y51-L67 HydrophobicContact CG-CD2 3.73Å; Y51-V82 PolarHBondContact N-O 3.23Å; Y51-F83 AromaticContact CD1-CD2 3.54Å; Y51-F83 HydrophobicContact CD1-CD2 3.54Å; Y51-F83 AromaticContact CD1-CE2 3.98Å; Y51-F83 HydrophobicContact CD1-CE2 3.98Å; Y51-F83 HydrophobicContact CE1-CD2 4.05Å; Y51-F83 HydrophobicContact CE1-CE2 4.03Å; Y51-F83 HydrophobicContact CG-CD2 4.21Å; Y51-F83 VanDerWaalsContact O-CD2 3.3Å; Y51-F83 WeakPolarHBondContact O-CD2 3.43Å; Y51-V84 PolarHBondContact O-N 3.5Å; Y51-W104 AromaticContact CD1-CZ3 3.9Å; Y51-W104 HydrophobicContact CD1-CZ3 3.9Å; Y51-W104 HydrophobicContact CE1-CZ3 4.09Å; Y51-P127 HydrophobicContact CE2-CB 3.63Å; Y51-L129 HydrophobicContact CD2-CD1 3.96Å; Y51-L129 HydrophobicContact CG-CD1 4.09Å |
| 52 | F | 88.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.4 | 176.2 | -58.7 | -95.1 | 0 | 0 | 0 | 109.5 | L50 V84 F86 L117 Y121 V123 I126 P127 M128 V130 | L50-F52 HydrophobicContact CB-CD2 4.48Å; L50-F52 HydrophobicContact CB-CE2 3.75Å; L50-F52 HydrophobicContact CB-CZ 4.23Å; L50-F52 HydrophobicContact CD1-CE2 4.37Å; L50-F52 HydrophobicContact CD1-CZ 4.2Å; F52-V84 WeakPolarHBondContact CA-O 3.49Å; F52-V84 HydrophobicContact CD1-CB 3.63Å; F52-V84 HydrophobicContact CD1-CG1 3.59Å; F52-V84 HydrophobicContact CD1-CG2 4.29Å; F52-V84 HydrophobicContact CE1-CB 3.82Å; F52-V84 HydrophobicContact CE1-CG1 3.58Å; F52-V84 HydrophobicContact CE1-CG2 4.04Å; F52-V84 HydrophobicContact CG-CB 4.22Å; F52-V84 HydrophobicContact CZ-CG2 4.3Å; F52-F86 AromaticContact CD1-CE1 3.95Å; F52-F86 HydrophobicContact CD1-CE1 3.95Å; F52-F86 HydrophobicContact CD1-CZ 4.05Å; F52-L117 HydrophobicContact CE1-CB 4.04Å; F52-L117 HydrophobicContact CZ-CB 4.07Å; F52-Y121 HydrophobicContact CE2-CD2 4.45Å; F52-Y121 HydrophobicContact CZ-CD2 4.03Å; F52-V123 HydrophobicContact CB-CG1 4.24Å; F52-V123 HydrophobicContact CD1-CG2 3.8Å; F52-V123 HydrophobicContact CD2-CG2 3.97Å; F52-V123 HydrophobicContact CE1-CG2 3.84Å; F52-V123 HydrophobicContact CE2-CG2 4.03Å; F52-V123 HydrophobicContact CG-CG1 4.36Å; F52-V123 HydrophobicContact CG-CG2 3.87Å; F52-V123 HydrophobicContact CZ-CG2 3.96Å; F52-I126 HydrophobicContact CB-CG2 4.16Å; F52-P127 CarbonylContact O-C 3.51Å; F52-P127 VanDerWaalsContact O-CA 3.23Å; F52-P127 WeakPolarHBondContact O-CA 3.29Å; F52-M128 HydrophobicContact CB-CB 4.28Å; F52-M128 PolarHBondContact N-O 3.46Å; F52-M128 PolarHBondContact O-N 3.28Å; F52-V130 HydrophobicContact CD2-CG2 4.27Å; F52-V130 HydrophobicContact CE2-CB 4.26Å; F52-V130 HydrophobicContact CE2-CG2 3.79Å |
| 53 | S | 92.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 175.2 | -173.5 | 155.3 | 0 | 0 | 0 | 0 | 111.4 | Y51 C60 V84 S85 F86 Y96 | Y51-S53 VanDerWaalsContact CE2-CB 3.48Å; Y51-S53 WeakPolarHBondContact OH-CB 3.28Å; Y51-S53 PolarHBondContact OH-OG 3.35Å; Y51-S53 VanDerWaalsContact OH-OG 3.09Å; S53-C60 VanDerWaalsContact CB-SG 3.53Å; S53-C60 WeakPolarHBondContact OG-CB 3.21Å; S53-C60 PolarHBondContact OG-SG 3.01Å; S53-V84 PolarHBondContact N-O 2.78Å; S53-S85 CarbonylContact O-C 3.59Å; S53-S85 WeakPolarHBondContact O-CA 3.32Å; S53-F86 PolarHBondContact O-N 3.43Å; S53-Y96 PolarHBondContact OG-OH 3.25Å |
| 54 | A | 94 | Very high | 83 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -154 | 151.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W56 C57 C60 F86 I126 | A54-W56 VanDerWaalsContact C-N 3.33Å; A54-W56 HydrophobicContact CB-CD2 4.16Å; A54-W56 HydrophobicContact CB-CG 4.2Å; A54-W56 HydrophobicContact CB-CZ2 4.06Å; A54-W56 PolarHBondContact O-N 2.55Å; A54-C57 WeakPolarHBondContact O-CB 3.44Å; A54-C57 PolarHBondContact O-N 2.96Å; A54-C60 WeakPolarHBondContact O-CB 3.34Å; A54-F86 HydrophobicContact CB-CB 4.15Å; A54-I126 HydrophobicContact CB-CD1 3.74Å | ||
| 55 | H | 93.8 | Very high | 83.2 | Confident | 39 Ų | 39 | 31.8 Ų | 31.8 | 18% | 0.181 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -42.7 | 179.9 | -170.6 | -112.2 | 0 | 0 | 0 | 111.9 | C57 R61 D87 Y96 E99 | H55-C57 PolarHBondContact O-N 3.18Å; H55-C57 VanDerWaalsContact O-N 3.16Å; H55-R61 VanDerWaalsContact O-CD 3.27Å; H55-R61 WeakPolarHBondContact O-CD 3.47Å; H55-R61 WeakPolarHBondContact O-CG 3.47Å; H55-R61 PolarHBondContact O-NH1 2.87Å; H55-D87 WeakPolarHBondContact CB-OD1 3.35Å; H55-D87 PolarHBondContact N-OD1 3.29Å; H55-Y96 HydrophobicContact CB-CD1 3.87Å; H55-Y96 HydrophobicContact CB-CG 3.86Å; H55-Y96 AromaticContact CD2-CD2 3.62Å; H55-Y96 AromaticContact CD2-CG 3.62Å; H55-Y96 VanDerWaalsContact N-CD1 3.29Å; H55-E99 IonicContact CD2-OE2 3.79Å; H55-E99 IonicContact CE1-OE2 3.8Å; H55-E99 IonicContact NE2-OE2 2.84Å; H55-E99 PolarHBondContact NE2-OE2 2.9Å |
| 56 | W | 93.5 | Very high | 83.5 | Confident | 121 Ų | 121 | 29.6 Ų | 29.6 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.9 | -177.6 | 57.3 | -100.6 | 0 | 0 | 0 | 113.4 | A54 P58 R61 F86 H88 I126 | A54-W56 VanDerWaalsContact C-N 3.33Å; A54-W56 HydrophobicContact CB-CD2 4.16Å; A54-W56 HydrophobicContact CB-CG 4.2Å; A54-W56 HydrophobicContact CB-CZ2 4.06Å; A54-W56 PolarHBondContact O-N 2.55Å; W56-P58 VanDerWaalsContact O-CD 3.31Å; W56-P58 WeakPolarHBondContact O-CD 3.21Å; W56-R61 PolarHBondContact O-NH1 2.94Å; W56-F86 PolarHBondContact NE1-O 2.86Å; W56-F86 VanDerWaalsContact NE1-O 3.08Å; W56-H88 AromaticContact CD1-CD2 3.93Å; W56-H88 AromaticContact CD1-NE2 3.81Å; W56-H88 AromaticContact CE2-CE1 3.99Å; W56-H88 AromaticContact CE2-NE2 3.95Å; W56-H88 AromaticContact NE1-CE1 3.54Å; W56-H88 AromaticContact NE1-NE2 3.58Å; W56-I126 HydrophobicContact CH2-CD1 3.85Å; W56-I126 HydrophobicContact CH2-CG1 4.44Å; W56-I126 HydrophobicContact CZ2-CD1 3.78Å |
| 57 | C | 85.7 | Confident | 83.7 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | trans | -88.1 | 111.4 | -172.7 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | A54 H55 C60 R61 I126 | A54-C57 WeakPolarHBondContact O-CB 3.44Å; A54-C57 PolarHBondContact O-N 2.96Å; H55-C57 PolarHBondContact O-N 3.18Å; H55-C57 VanDerWaalsContact O-N 3.16Å; C57-C60 HydrophobicContact CB-CB 3.84Å; C57-C60 VanDerWaalsContact CB-SG 3.52Å; C57-C60 WeakPolarHBondContact O-CA 3.48Å; C57-C60 WeakPolarHBondContact O-CB 3.46Å; C57-C60 PolarHBondContact O-N 3.31Å; C57-C60 PolarHBondContact SG-SG 3.06Å; C57-R61 PolarHBondContact O-N 3.37Å; C57-R61 VanDerWaalsContact O-N 3.15Å; C57-I126 HydrophobicContact CB-CD1 3.88Å; C57-I126 HydrophobicContact CB-CG1 4.43Å | ||
| 58 | P | 81.6 | Confident | 84.4 | Confident | 69 Ų | 69 | 30.2 Ų | 30.2 | 45% | 0.448 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.2 | -43.4 | -177 | -18 | 28.5 | 0 | 0 | 0 | 114.6 | W56 C60 R61 N62 | W56-P58 VanDerWaalsContact O-CD 3.31Å; W56-P58 WeakPolarHBondContact O-CD 3.21Å; P58-C60 PolarHBondContact O-N 3.34Å; P58-R61 PolarHBondContact O-N 2.8Å; P58-N62 PolarHBondContact O-N 3.13Å; P58-N62 VanDerWaalsContact O-N 3.17Å |
| 59 | P | 75.5 | Confident | 84.4 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 36% | 0.364 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.6 | -21.5 | 174.6 | -20.4 | 30.3 | 0 | 0 | 0 | 114.3 | R144 | P59-R144 PolarHBondContact O-NH1 2.73Å; P59-R144 PolarHBondContact O-NH2 3.45Å |
| 60 | C | 83.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.3 | -52 | 170.8 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | Y51 S53 A54 C57 P58 N62 F63 T64 Y96 P127 | Y51-C60 PolarHBondContact OH-O 3.25Å; S53-C60 VanDerWaalsContact CB-SG 3.53Å; S53-C60 WeakPolarHBondContact OG-CB 3.21Å; S53-C60 PolarHBondContact OG-SG 3.01Å; A54-C60 WeakPolarHBondContact O-CB 3.34Å; C57-C60 HydrophobicContact CB-CB 3.84Å; C57-C60 VanDerWaalsContact CB-SG 3.52Å; C57-C60 WeakPolarHBondContact O-CA 3.48Å; C57-C60 WeakPolarHBondContact O-CB 3.46Å; C57-C60 PolarHBondContact O-N 3.31Å; C57-C60 PolarHBondContact SG-SG 3.06Å; P58-C60 PolarHBondContact O-N 3.34Å; C60-N62 PolarHBondContact O-N 2.86Å; C60-N62 VanDerWaalsContact O-N 3.14Å; C60-F63 WeakPolarHBondContact O-CA 3.41Å; C60-F63 PolarHBondContact O-N 2.85Å; C60-T64 PolarHBondContact O-N 3.27Å; C60-T64 PolarHBondContact O-OG1 3.06Å; C60-Y96 VanDerWaalsContact C-OH 3.26Å; C60-Y96 WeakPolarHBondContact CB-OH 3.35Å; C60-Y96 PolarHBondContact O-OH 2.93Å; C60-P127 HydrophobicContact CB-CB 4.44Å; C60-P127 HydrophobicContact CB-CG 4.42Å; C60-P127 WeakPolarHBondContact SG-CB 3.35Å; C60-P127 WeakPolarHBondContact SG-CD 3.38Å |
| 61 | R | 85.5 | Confident | 84.1 | Confident | 102 Ų | 102 | 34.8 Ų | 34.8 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.2 | -29 | 179.9 | -64 | -166.7 | -60.2 | -87.4 | 3.9 | 113.2 | H55 W56 C57 P58 F63 P65 Y96 | H55-R61 VanDerWaalsContact O-CD 3.27Å; H55-R61 WeakPolarHBondContact O-CD 3.47Å; H55-R61 WeakPolarHBondContact O-CG 3.47Å; H55-R61 PolarHBondContact O-NH1 2.87Å; W56-R61 PolarHBondContact O-NH1 2.94Å; C57-R61 PolarHBondContact O-N 3.37Å; C57-R61 VanDerWaalsContact O-N 3.15Å; P58-R61 PolarHBondContact O-N 2.8Å; R61-F63 VanDerWaalsContact C-N 3.34Å; R61-P65 WeakPolarHBondContact O-CD 3.03Å; R61-Y96 HydrophobicContact CG-CE2 4.3Å; R61-Y96 PolarHBondContact N-OH 2.8Å |
| 62 | N | 77 | Confident | 83.6 | Confident | 112 Ų | 112 | 40 Ų | 40 | 60% | 0.599 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -25.1 | 173.4 | -69.4 | -2.4 | 0 | 0 | 0 | 113.7 | P58 C60 V66 | P58-N62 PolarHBondContact O-N 3.13Å; P58-N62 VanDerWaalsContact O-N 3.17Å; C60-N62 PolarHBondContact O-N 2.86Å; C60-N62 VanDerWaalsContact O-N 3.14Å; N62-V66 WeakPolarHBondContact O-CG2 3.41Å |
| 63 | F | 76.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -32.9 | -173.6 | 177 | -113.6 | 0 | 0 | 0 | 113.8 | Y51 C60 R61 P65 V66 L67 P127 L129 R144 V147 M148 | Y51-F63 HydrophobicContact CD2-CD1 4.38Å; Y51-F63 HydrophobicContact CD2-CE1 4.1Å; Y51-F63 AromaticContact CE2-CD1 3.47Å; Y51-F63 HydrophobicContact CE2-CD1 3.47Å; Y51-F63 VanDerWaalsContact CE2-CD1 3.47Å; Y51-F63 AromaticContact CE2-CE1 3.62Å; Y51-F63 HydrophobicContact CE2-CE1 3.62Å; Y51-F63 AromaticContact CZ-CD1 3.76Å; C60-F63 WeakPolarHBondContact O-CA 3.41Å; C60-F63 PolarHBondContact O-N 2.85Å; R61-F63 VanDerWaalsContact C-N 3.34Å; F63-P65 VanDerWaalsContact C-CD 3.49Å; F63-V66 VanDerWaalsContact O-CB 3.32Å; F63-V66 WeakPolarHBondContact O-CB 2.96Å; F63-V66 PolarHBondContact O-N 2.87Å; F63-V66 VanDerWaalsContact O-N 3.07Å; F63-L67 HydrophobicContact CE1-CB 4.24Å; F63-L67 HydrophobicContact CE1-CD2 4.17Å; F63-L67 HydrophobicContact CZ-CB 4.39Å; F63-L67 PolarHBondContact O-N 3.44Å; F63-P127 HydrophobicContact CB-CG 4.48Å; F63-P127 HydrophobicContact CD1-CB 4.38Å; F63-P127 HydrophobicContact CD1-CG 4.44Å; F63-L129 HydrophobicContact CE1-CD2 4.43Å; F63-L129 HydrophobicContact CZ-CD2 4.08Å; F63-R144 HydrophobicContact CD1-CG 4.31Å; F63-R144 HydrophobicContact CD2-CG 4.13Å; F63-R144 HydrophobicContact CE1-CB 4.41Å; F63-R144 HydrophobicContact CE1-CG 4.31Å; F63-R144 HydrophobicContact CE2-CB 4.41Å; F63-R144 HydrophobicContact CE2-CG 4.03Å; F63-R144 WeakPolarHBondContact CE2-O 3.43Å; F63-R144 HydrophobicContact CG-CG 4.22Å; F63-R144 HydrophobicContact CZ-CB 4.16Å; F63-R144 HydrophobicContact CZ-CG 4.16Å; F63-V147 HydrophobicContact CD2-CG1 4.14Å; F63-V147 HydrophobicContact CE2-CB 3.35Å; F63-V147 HydrophobicContact CE2-CG1 3.27Å; F63-V147 HydrophobicContact CE2-CG2 4.5Å; F63-V147 HydrophobicContact CZ-CB 3.57Å; F63-V147 HydrophobicContact CZ-CG1 3.6Å; F63-V147 HydrophobicContact CZ-CG2 4.28Å; F63-M148 HydrophobicContact CB-SD 3.86Å; F63-M148 HydrophobicContact CD2-CG 3.48Å; F63-M148 VanDerWaalsContact CD2-CG 3.48Å; F63-M148 HydrophobicContact CD2-SD 3.47Å; F63-M148 WeakPolarHBondContact CD2-SD 3.5Å; F63-M148 HydrophobicContact CE2-CG 3.95Å; F63-M148 HydrophobicContact CE2-SD 4.44Å; F63-M148 HydrophobicContact CG-CG 4.44Å; F63-M148 HydrophobicContact CG-SD 4.15Å |
| 64 | T | 85.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.3 | -44.7 | -179.3 | -49.1 | 0 | 0 | 0 | 0 | 113.6 | Y51 C60 V66 L67 K68 Y96 A100 H101 W104 | Y51-T64 HydrophobicContact CE1-CG2 4.4Å; Y51-T64 PolarHBondContact OH-OG1 3.04Å; C60-T64 PolarHBondContact O-N 3.27Å; C60-T64 PolarHBondContact O-OG1 3.06Å; T64-V66 VanDerWaalsContact C-N 3.28Å; T64-V66 PolarHBondContact O-N 3.3Å; T64-L67 PolarHBondContact O-N 2.78Å; T64-K68 WeakPolarHBondContact O-CB 3.38Å; T64-K68 PolarHBondContact O-N 2.97Å; T64-Y96 HydrophobicContact CG2-CE2 4.12Å; T64-Y96 PolarHBondContact OG1-OH 2.8Å; T64-A100 HydrophobicContact CG2-CB 3.99Å; T64-H101 WeakPolarHBondContact CG2-CD2 3.33Å; T64-H101 WeakPolarHBondContact CG2-NE2 3.5Å; T64-W104 HydrophobicContact CG2-CH2 3.66Å; T64-W104 HydrophobicContact CG2-CZ3 3.92Å |
| 65 | P | 82.6 | Confident | 80.6 | Confident | 57 Ų | 57 | 46.5 Ų | 46.5 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.2 | -22.4 | 35.1 | 0 | 0 | 0 | 111.7 | R61 F63 L67 K68 D69 | R61-P65 WeakPolarHBondContact O-CD 3.03Å; F63-P65 VanDerWaalsContact C-CD 3.49Å; P65-L67 PolarHBondContact O-N 3.16Å; P65-K68 WeakPolarHBondContact O-CB 3.41Å; P65-K68 PolarHBondContact O-N 3.21Å; P65-K68 VanDerWaalsContact O-N 3.16Å; P65-D69 VanDerWaalsContact O-CG 3.28Å; P65-D69 PolarHBondContact O-N 2.96Å |
| 66 | V | 76.1 | Confident | 80 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.7 | -166.1 | 0 | 0 | 0 | 0 | 111.9 | N62 F63 T64 K68 D69 F70 V147 M148 Q150 A151 | N62-V66 WeakPolarHBondContact O-CG2 3.41Å; F63-V66 VanDerWaalsContact O-CB 3.32Å; F63-V66 WeakPolarHBondContact O-CB 2.96Å; F63-V66 PolarHBondContact O-N 2.87Å; F63-V66 VanDerWaalsContact O-N 3.07Å; T64-V66 VanDerWaalsContact C-N 3.28Å; T64-V66 PolarHBondContact O-N 3.3Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.14Å; V66-D69 PolarHBondContact O-N 3.04Å; V66-F70 WeakPolarHBondContact O-CB 3.48Å; V66-F70 PolarHBondContact O-N 2.96Å; V66-V147 HydrophobicContact CB-CG1 4.06Å; V66-V147 HydrophobicContact CG1-CG1 3.65Å; V66-V147 WeakPolarHBondContact CG1-O 3.29Å; V66-M148 HydrophobicContact CG2-SD 4.35Å; V66-Q150 HydrophobicContact CG1-CB 4.48Å; V66-A151 HydrophobicContact CB-CB 3.83Å; V66-A151 HydrophobicContact CG1-CB 3.4Å; V66-A151 HydrophobicContact CG2-CB 3.16Å |
| 67 | L | 80.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.1 | -32.1 | 176.5 | -178.1 | 60.7 | 0 | 0 | 0 | 111.7 | Y51 F63 T64 P65 F70 Y71 V81 W104 L129 V147 | Y51-L67 HydrophobicContact CD1-CD2 3.76Å; Y51-L67 HydrophobicContact CD2-CD2 4.14Å; Y51-L67 HydrophobicContact CE1-CD2 4.22Å; Y51-L67 HydrophobicContact CG-CD2 3.73Å; F63-L67 HydrophobicContact CE1-CB 4.24Å; F63-L67 HydrophobicContact CE1-CD2 4.17Å; F63-L67 HydrophobicContact CZ-CB 4.39Å; F63-L67 PolarHBondContact O-N 3.44Å; T64-L67 PolarHBondContact O-N 2.78Å; P65-L67 PolarHBondContact O-N 3.16Å; L67-F70 HydrophobicContact CD1-CD1 4.32Å; L67-Y71 VanDerWaalsContact O-CB 3.26Å; L67-Y71 WeakPolarHBondContact O-CB 3.42Å; L67-Y71 PolarHBondContact O-N 3.47Å; L67-V81 HydrophobicContact CD1-CG2 4.3Å; L67-V81 HydrophobicContact CD2-CG1 4.19Å; L67-V81 HydrophobicContact CD2-CG2 4.39Å; L67-V81 HydrophobicContact CG-CG2 4.33Å; L67-W104 HydrophobicContact CB-CH2 4.23Å; L67-W104 HydrophobicContact CB-CZ2 4.36Å; L67-W104 HydrophobicContact CD2-CH2 4.07Å; L67-W104 HydrophobicContact CD2-CZ2 4.44Å; L67-W104 HydrophobicContact CD2-CZ3 4.45Å; L67-W104 HydrophobicContact CG-CH2 4.12Å; L67-W104 HydrophobicContact CG-CZ2 4.09Å; L67-L129 HydrophobicContact CD1-CD2 3.99Å; L67-L129 HydrophobicContact CD2-CD1 3.93Å; L67-V147 HydrophobicContact CB-CG1 4.23Å; L67-V147 HydrophobicContact CD1-CG1 4.39Å; L67-V147 HydrophobicContact CD1-CG2 4.33Å |
| 68 | K | 87 | Confident | 78.8 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -49.7 | 175.4 | 177.5 | -177.9 | 178.3 | 161 | 0 | 111.1 | T64 P65 V66 F70 Y71 E72 H101 W104 | T64-K68 WeakPolarHBondContact O-CB 3.38Å; T64-K68 PolarHBondContact O-N 2.97Å; P65-K68 WeakPolarHBondContact O-CB 3.41Å; P65-K68 PolarHBondContact O-N 3.21Å; P65-K68 VanDerWaalsContact O-N 3.16Å; V66-K68 VanDerWaalsContact C-N 3.28Å; V66-K68 PolarHBondContact O-N 3.14Å; K68-F70 VanDerWaalsContact C-N 3.31Å; K68-F70 PolarHBondContact O-N 3.26Å; K68-Y71 WeakPolarHBondContact O-CB 3.44Å; K68-Y71 PolarHBondContact O-N 2.96Å; K68-Y71 VanDerWaalsContact O-N 3.16Å; K68-E72 WeakPolarHBondContact CE-OE1 3.44Å; K68-E72 WeakPolarHBondContact CG-OE1 3.25Å; K68-E72 WeakPolarHBondContact O-CG 3.28Å; K68-E72 PolarHBondContact O-N 2.82Å; K68-H101 WeakPolarHBondContact CD-O 3.42Å; K68-H101 WeakPolarHBondContact CE-O 3.42Å; K68-H101 PolarHBondContact NZ-O 3.19Å; K68-W104 HydrophobicContact CB-CH2 4.43Å; K68-W104 HydrophobicContact CB-CZ2 3.77Å |
| 69 | D | 77.9 | Confident | 78.6 | Confident | 86 Ų | 86 | 51.6 Ų | 51.6 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 177 | -63.5 | -17.6 | 0 | 0 | 0 | 109.8 | P65 V66 Y71 E72 E73 | P65-D69 VanDerWaalsContact O-CG 3.28Å; P65-D69 PolarHBondContact O-N 2.96Å; V66-D69 PolarHBondContact O-N 3.04Å; D69-Y71 PolarHBondContact O-N 3.06Å; D69-E72 PolarHBondContact O-N 3.26Å; D69-E73 VanDerWaalsContact O-CG 3.29Å; D69-E73 WeakPolarHBondContact O-CG 2.99Å; D69-E73 PolarHBondContact O-N 2.93Å |
| 70 | F | 74 | Confident | 79.2 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 175.2 | 177.5 | -99.2 | 0 | 0 | 0 | 113.1 | V66 L67 K68 E72 E73 V74 F79 F233 | V66-F70 WeakPolarHBondContact O-CB 3.48Å; V66-F70 PolarHBondContact O-N 2.96Å; L67-F70 HydrophobicContact CD1-CD1 4.32Å; K68-F70 VanDerWaalsContact C-N 3.31Å; K68-F70 PolarHBondContact O-N 3.26Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 2.98Å; F70-E73 PolarHBondContact O-N 3.1Å; F70-V74 HydrophobicContact CD1-CG2 4.17Å; F70-V74 HydrophobicContact CD2-CG2 3.99Å; F70-V74 HydrophobicContact CE1-CG2 3.76Å; F70-V74 HydrophobicContact CE2-CG2 3.56Å; F70-V74 HydrophobicContact CG-CG2 4.29Å; F70-V74 HydrophobicContact CZ-CG2 3.45Å; F70-V74 VanDerWaalsContact CZ-CG2 3.45Å; F70-V74 WeakPolarHBondContact O-CG2 3.42Å; F70-V74 PolarHBondContact O-N 3.37Å; F70-F79 HydrophobicContact CD1-CE1 4.04Å; F70-F79 HydrophobicContact CD1-CZ 4.3Å; F70-F79 HydrophobicContact CE1-CD1 4.42Å; F70-F79 AromaticContact CE1-CE1 3.79Å; F70-F79 HydrophobicContact CE1-CE1 3.79Å; F70-F79 HydrophobicContact CE1-CE2 4.36Å; F70-F79 AromaticContact CE1-CZ 3.76Å; F70-F79 HydrophobicContact CE1-CZ 3.76Å; F70-F233 HydrophobicContact CE2-CE2 4.3Å |
| 71 | Y | 82.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 178.5 | 176.5 | -97.8 | 0 | 0 | 0 | 112.4 | K28 L67 K68 D69 E73 G75 Q76 F79 E80 V81 D103 W104 | K28-Y71 PolarHBondContact NZ-OH 3.13Å; L67-Y71 VanDerWaalsContact O-CB 3.26Å; L67-Y71 WeakPolarHBondContact O-CB 3.42Å; L67-Y71 PolarHBondContact O-N 3.47Å; K68-Y71 WeakPolarHBondContact O-CB 3.44Å; K68-Y71 PolarHBondContact O-N 2.96Å; K68-Y71 VanDerWaalsContact O-N 3.16Å; D69-Y71 PolarHBondContact O-N 3.06Å; Y71-E73 VanDerWaalsContact C-N 3.33Å; Y71-G75 PolarHBondContact O-N 3.23Å; Y71-Q76 HydrophobicContact CE1-CG 3.74Å; Y71-Q76 HydrophobicContact CE2-CG 4.41Å; Y71-Q76 PolarHBondContact OH-OE1 3.08Å; Y71-F79 AromaticContact CD2-CD1 3.87Å; Y71-F79 HydrophobicContact CD2-CD1 3.87Å; Y71-F79 AromaticContact CD2-CE1 3.98Å; Y71-F79 HydrophobicContact CD2-CE1 3.98Å; Y71-F79 HydrophobicContact CE2-CD1 4.48Å; Y71-E80 WeakPolarHBondContact CE2-OE1 3.46Å; Y71-E80 VanDerWaalsContact CZ-OE1 3.3Å; Y71-E80 PolarHBondContact OH-OE1 3.33Å; Y71-E80 PolarHBondContact OH-OE2 3.23Å; Y71-V81 HydrophobicContact CD2-CB 4.33Å; Y71-V81 HydrophobicContact CD2-CG2 3.72Å; Y71-V81 HydrophobicContact CE2-CG2 4.33Å; Y71-V81 HydrophobicContact CG-CG2 4.43Å; Y71-D103 PolarHBondContact OH-O 2.86Å; Y71-W104 AromaticContact CD1-CD1 3.56Å; Y71-W104 AromaticContact CD1-NE1 3.37Å; Y71-W104 AromaticContact CD2-CD1 3.96Å; Y71-W104 AromaticContact CD2-NE1 3.93Å; Y71-W104 AromaticContact CE1-CD1 3.58Å; Y71-W104 AromaticContact CE1-NE1 3.91Å; Y71-W104 AromaticContact CE2-CD1 3.96Å; Y71-W104 AromaticContact CG-CD1 3.74Å; Y71-W104 AromaticContact CG-NE1 3.36Å; Y71-W104 AromaticContact CZ-CD1 3.76Å |
| 72 | E | 81.7 | Confident | 79.8 | Confident | 111 Ų | 111 | 44 Ų | 44 | 52% | 0.519 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.7 | -34.4 | 177.9 | -69.9 | 176.8 | -172.5 | 0 | 0 | 111.8 | K68 D69 F70 | K68-E72 WeakPolarHBondContact CE-OE1 3.44Å; K68-E72 WeakPolarHBondContact CG-OE1 3.25Å; K68-E72 WeakPolarHBondContact O-CG 3.28Å; K68-E72 PolarHBondContact O-N 2.82Å; D69-E72 PolarHBondContact O-N 3.26Å; F70-E72 VanDerWaalsContact C-N 3.34Å; F70-E72 PolarHBondContact O-N 2.98Å |
| 73 | E | 70.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 38.7 Ų | 38.7 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.4 | -43 | 178.9 | -70.8 | -172.2 | 165.9 | 0 | 0 | 114 | D69 F70 Y71 G75 V164 I201 | D69-E73 VanDerWaalsContact O-CG 3.29Å; D69-E73 WeakPolarHBondContact O-CG 2.99Å; D69-E73 PolarHBondContact O-N 2.93Å; F70-E73 PolarHBondContact O-N 3.1Å; Y71-E73 VanDerWaalsContact C-N 3.33Å; E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 2.96Å; E73-V164 HydrophobicContact CG-CG1 3.9Å; E73-I201 HydrophobicContact CB-CD1 3.62Å; E73-I201 HydrophobicContact CB-CG1 4.43Å; E73-I201 WeakPolarHBondContact OE2-CG1 3.44Å |
| 74 | V | 68.8 | Low | 81.3 | Confident | 53 Ų | 53 | 38.7 Ų | 38.7 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -32.6 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | F70 F79 I201 | F70-V74 HydrophobicContact CD1-CG2 4.17Å; F70-V74 HydrophobicContact CD2-CG2 3.99Å; F70-V74 HydrophobicContact CE1-CG2 3.76Å; F70-V74 HydrophobicContact CE2-CG2 3.56Å; F70-V74 HydrophobicContact CG-CG2 4.29Å; F70-V74 HydrophobicContact CZ-CG2 3.45Å; F70-V74 VanDerWaalsContact CZ-CG2 3.45Å; F70-V74 WeakPolarHBondContact O-CG2 3.42Å; F70-V74 PolarHBondContact O-N 3.37Å; V74-F79 HydrophobicContact CG1-CB 3.66Å; V74-F79 HydrophobicContact CG1-CD1 4.34Å; V74-F79 HydrophobicContact CG1-CG 4.13Å; V74-I201 HydrophobicContact CG2-CD1 4.25Å |
| 75 | G | 72.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | 86.2 | 154 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y71 E73 | Y71-G75 PolarHBondContact O-N 3.23Å; E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 2.96Å | ||
| 76 | Q | 80.2 | Confident | 82.3 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 35% | 0.346 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -2.9 | -167.5 | -51.3 | -176.9 | 18.8 | 0 | 0 | 114.1 | K46 Y71 | K46-Q76 WeakPolarHBondContact CE-O 3.28Å; K46-Q76 PolarHBondContact NZ-O 3.34Å; Y71-Q76 HydrophobicContact CE1-CG 3.74Å; Y71-Q76 HydrophobicContact CE2-CG 4.41Å; Y71-Q76 PolarHBondContact OH-OE1 3.08Å |
| 77 | D | 79 | Confident | 83.2 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 74% | 0.743 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -42.4 | -174.9 | -68.8 | -25.3 | 0 | 0 | 0 | 111.2 | K46 | K46-D77 WeakPolarHBondContact CE-O 3.49Š|
| 78 | D | 74.4 | Confident | 83.9 | Confident | 127 Ų | 127 | 45.4 Ų | 45.4 | 68% | 0.679 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -9 | -175.6 | -60.4 | -43.5 | 0 | 0 | 0 | 113.7 | K46 V47 | K46-D78 WeakPolarHBondContact CA-O 3.38Å; V47-D78 PolarHBondContact N-O 3.29Å |
| 79 | F | 78.5 | Confident | 84.3 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 2% | 0.022 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 138.8 | -177.3 | -177.8 | -107.3 | 0 | 0 | 0 | 111.7 | V47 A49 F70 Y71 V74 V81 I131 | V47-F79 HydrophobicContact CB-CD2 4.16Å; V47-F79 HydrophobicContact CG1-CD2 4.06Å; V47-F79 HydrophobicContact CG1-CE2 4.33Å; V47-F79 WeakPolarHBondContact O-CA 3.39Å; A49-F79 HydrophobicContact CB-CE2 3.79Å; A49-F79 HydrophobicContact CB-CZ 3.54Å; F70-F79 HydrophobicContact CD1-CE1 4.04Å; F70-F79 HydrophobicContact CD1-CZ 4.3Å; F70-F79 HydrophobicContact CE1-CD1 4.42Å; F70-F79 AromaticContact CE1-CE1 3.79Å; F70-F79 HydrophobicContact CE1-CE1 3.79Å; F70-F79 HydrophobicContact CE1-CE2 4.36Å; F70-F79 AromaticContact CE1-CZ 3.76Å; F70-F79 HydrophobicContact CE1-CZ 3.76Å; Y71-F79 AromaticContact CD2-CD1 3.87Å; Y71-F79 HydrophobicContact CD2-CD1 3.87Å; Y71-F79 AromaticContact CD2-CE1 3.98Å; Y71-F79 HydrophobicContact CD2-CE1 3.98Å; Y71-F79 HydrophobicContact CE2-CD1 4.48Å; V74-F79 HydrophobicContact CG1-CB 3.66Å; V74-F79 HydrophobicContact CG1-CD1 4.34Å; V74-F79 HydrophobicContact CG1-CG 4.13Å; F79-V81 HydrophobicContact CE1-CG2 3.73Å; F79-V81 HydrophobicContact CZ-CG2 4.1Å; F79-I131 HydrophobicContact CE2-CD1 4.44Å |
| 80 | E | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.9 | 173.9 | -172.5 | 59.9 | -82 | 0 | 0 | 112.2 | K28 H42 L43 K46 V47 V48 A49 Y71 C105 | K28-E80 IonicContact NZ-OE2 3.5Å; K28-E80 PolarHBondContact NZ-OE2 2.92Å; H42-E80 IonicContact CD2-OE2 3.58Å; H42-E80 IonicContact CE1-OE2 3.65Å; H42-E80 IonicContact NE2-OE2 2.85Å; H42-E80 PolarHBondContact NE2-OE2 3.16Å; L43-E80 HydrophobicContact CD2-CB 3.78Å; L43-E80 HydrophobicContact CD2-CG 3.53Å; K46-E80 HydrophobicContact CD-CB 4.14Å; V47-E80 PolarHBondContact O-N 3.46Å; V48-E80 CarbonylContact C-O 3.59Å; V48-E80 WeakPolarHBondContact CA-O 3.29Å; A49-E80 PolarHBondContact N-O 3.48Å; Y71-E80 WeakPolarHBondContact CE2-OE1 3.46Å; Y71-E80 VanDerWaalsContact CZ-OE1 3.3Å; Y71-E80 PolarHBondContact OH-OE1 3.33Å; Y71-E80 PolarHBondContact OH-OE2 3.23Å; E80-C105 HydrophobicContact CG-CB 4.3Å |
| 81 | V | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.6 | 170.6 | 175.9 | 0 | 0 | 0 | 0 | 108.6 | A49 L67 Y71 F79 W104 C105 | A49-V81 HydrophobicContact CB-CG2 4.27Å; A49-V81 WeakPolarHBondContact O-CA 3.49Å; L67-V81 HydrophobicContact CD1-CG2 4.3Å; L67-V81 HydrophobicContact CD2-CG1 4.19Å; L67-V81 HydrophobicContact CD2-CG2 4.39Å; L67-V81 HydrophobicContact CG-CG2 4.33Å; Y71-V81 HydrophobicContact CD2-CB 4.33Å; Y71-V81 HydrophobicContact CD2-CG2 3.72Å; Y71-V81 HydrophobicContact CE2-CG2 4.33Å; Y71-V81 HydrophobicContact CG-CG2 4.43Å; F79-V81 HydrophobicContact CE1-CG2 3.73Å; F79-V81 HydrophobicContact CZ-CG2 4.1Å; V81-W104 HydrophobicContact CB-CB 4.21Å; V81-W104 HydrophobicContact CB-CD2 4.02Å; V81-W104 HydrophobicContact CB-CG 3.85Å; V81-W104 HydrophobicContact CG1-CB 4.36Å; V81-W104 HydrophobicContact CG1-CD2 3.78Å; V81-W104 HydrophobicContact CG1-CE3 3.77Å; V81-W104 HydrophobicContact CG1-CG 4.05Å; V81-W104 HydrophobicContact CG1-CZ3 4.36Å; V81-C105 WeakPolarHBondContact O-CA 3.28Å; V81-C105 WeakPolarHBondContact O-CB 3.3Å; V81-C105 PolarHBondContact O-N 3.22Å |
| 82 | V | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 107 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | L21 L43 V48 A49 L50 Y51 C105 I107 | L21-V82 HydrophobicContact CD1-CG2 4.34Å; L43-V82 HydrophobicContact CD1-CG2 4.22Å; L43-V82 HydrophobicContact CD2-CG2 4.29Å; V48-V82 HydrophobicContact CG1-CB 4.32Å; V48-V82 HydrophobicContact CG1-CG2 3.68Å; A49-V82 PolarHBondContact O-N 2.78Å; L50-V82 WeakPolarHBondContact CA-O 3.39Å; L50-V82 HydrophobicContact CD2-CB 3.71Å; L50-V82 HydrophobicContact CD2-CG1 3.83Å; L50-V82 HydrophobicContact CD2-CG2 4.46Å; Y51-V82 PolarHBondContact N-O 3.23Å; V82-C105 CarbonylContact C-O 3.59Å; V82-C105 WeakPolarHBondContact CA-O 2.83Å; V82-C105 HydrophobicContact CB-CB 4.39Å; V82-C105 HydrophobicContact CG2-CB 3.82Å; V82-I107 HydrophobicContact CG1-CD1 4.5Å; V82-I107 HydrophobicContact CG1-CG1 4.1Å |
| 83 | F | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 126.5 | 177.8 | -177 | -127.2 | 0 | 0 | 0 | 111.4 | Y51 L93 Y96 M97 H101 C105 F106 I107 | Y51-F83 AromaticContact CD1-CD2 3.54Å; Y51-F83 HydrophobicContact CD1-CD2 3.54Å; Y51-F83 AromaticContact CD1-CE2 3.98Å; Y51-F83 HydrophobicContact CD1-CE2 3.98Å; Y51-F83 HydrophobicContact CE1-CD2 4.05Å; Y51-F83 HydrophobicContact CE1-CE2 4.03Å; Y51-F83 HydrophobicContact CG-CD2 4.21Å; Y51-F83 VanDerWaalsContact O-CD2 3.3Å; Y51-F83 WeakPolarHBondContact O-CD2 3.43Å; F83-L93 HydrophobicContact CD1-CD1 3.63Å; F83-L93 HydrophobicContact CE1-CD1 3.39Å; F83-Y96 HydrophobicContact CE1-CD1 4.23Å; F83-Y96 HydrophobicContact CE2-CE1 4.34Å; F83-Y96 AromaticContact CZ-CD1 3.71Å; F83-Y96 HydrophobicContact CZ-CD1 3.71Å; F83-Y96 AromaticContact CZ-CE1 3.88Å; F83-Y96 HydrophobicContact CZ-CE1 3.88Å; F83-M97 HydrophobicContact CB-SD 4.16Å; F83-M97 HydrophobicContact CD1-CG 4.44Å; F83-M97 HydrophobicContact CD1-SD 3.43Å; F83-M97 WeakPolarHBondContact CD1-SD 3.35Å; F83-M97 HydrophobicContact CE1-SD 4.1Å; F83-M97 HydrophobicContact CG-SD 4.07Å; F83-H101 AromaticContact CD1-CE1 3.64Å; F83-H101 AromaticContact CD2-CE1 3.65Å; F83-H101 AromaticContact CE1-CE1 3.63Å; F83-H101 AromaticContact CE2-CE1 3.68Å; F83-H101 AromaticContact CG-CE1 3.64Å; F83-H101 AromaticContact CZ-CE1 3.68Å; F83-C105 PolarHBondContact N-O 2.85Å; F83-F106 HydrophobicContact CB-CB 3.86Å; F83-F106 HydrophobicContact CD1-CB 4.34Å; F83-F106 VanDerWaalsContact O-CA 3.3Å; F83-F106 WeakPolarHBondContact O-CA 3.3Å; F83-I107 PolarHBondContact O-N 3.05Å |
| 84 | V | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 92.7 | 176.3 | -171.9 | 0 | 0 | 0 | 0 | 107.6 | L50 Y51 F52 S53 F86 I107 I114 L117 | L50-V84 HydrophobicContact CB-CG2 4.49Å; L50-V84 HydrophobicContact CD2-CG2 4.25Å; Y51-V84 PolarHBondContact O-N 3.5Å; F52-V84 WeakPolarHBondContact CA-O 3.49Å; F52-V84 HydrophobicContact CD1-CB 3.63Å; F52-V84 HydrophobicContact CD1-CG1 3.59Å; F52-V84 HydrophobicContact CD1-CG2 4.29Å; F52-V84 HydrophobicContact CE1-CB 3.82Å; F52-V84 HydrophobicContact CE1-CG1 3.58Å; F52-V84 HydrophobicContact CE1-CG2 4.04Å; F52-V84 HydrophobicContact CG-CB 4.22Å; F52-V84 HydrophobicContact CZ-CG2 4.3Å; S53-V84 PolarHBondContact N-O 2.78Å; V84-F86 HydrophobicContact CG1-CE1 4.47Å; V84-I107 HydrophobicContact CG2-CD1 3.97Å; V84-I114 HydrophobicContact CG1-CB 4.29Å; V84-I114 HydrophobicContact CG1-CG1 4.23Å; V84-I114 HydrophobicContact CG1-CG2 3.95Å; V84-L117 HydrophobicContact CG2-CD1 4.22Å |
| 85 | S | 94.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.2 | -173.2 | 170.4 | 0 | 0 | 0 | 0 | 113.1 | S53 D87 | S53-S85 CarbonylContact O-C 3.59Å; S53-S85 WeakPolarHBondContact O-CA 3.32Å; S85-D87 WeakPolarHBondContact OG-CB 3.22Å; S85-D87 VanDerWaalsContact OG-CG 3.25Å; S85-D87 PolarHBondContact OG-N 3.43Å; S85-D87 PolarHBondContact OG-OD2 3.2Å |
| 86 | F | 94 | Very high | 90.5 | Very high | 55 Ų | 55 | 47.2 Ų | 47.2 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -105.5 | 22.5 | 166.5 | -74.1 | 12 | 0 | 0 | 0 | 111.2 | F52 S53 A54 W56 V84 I114 V123 I126 | F52-F86 AromaticContact CD1-CE1 3.95Å; F52-F86 HydrophobicContact CD1-CE1 3.95Å; F52-F86 HydrophobicContact CD1-CZ 4.05Å; S53-F86 PolarHBondContact O-N 3.43Å; A54-F86 HydrophobicContact CB-CB 4.15Å; W56-F86 PolarHBondContact NE1-O 2.86Å; W56-F86 VanDerWaalsContact NE1-O 3.08Å; V84-F86 HydrophobicContact CG1-CE1 4.47Å; F86-I114 HydrophobicContact CD1-CG2 4.03Å; F86-I114 HydrophobicContact CE1-CG2 3.95Å; F86-V123 HydrophobicContact CE2-CG1 3.98Å; F86-V123 HydrophobicContact CZ-CB 4.43Å; F86-V123 HydrophobicContact CZ-CG1 3.99Å; F86-I126 HydrophobicContact CB-CD1 4.32Å; F86-I126 HydrophobicContact CD2-CD1 4.49Å; F86-I126 HydrophobicContact CD2-CG2 3.65Å; F86-I126 HydrophobicContact CE2-CG2 3.84Å; F86-I126 HydrophobicContact CG-CG2 4.39Å | ||
| 87 | D | 96.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.053 | 23% | 0.23 | C | C | . | . | trans | -62 | 164.1 | 172.6 | -69.8 | -62.1 | 0 | 0 | 0 | 111.6 | H55 S85 D92 L93 F109 | H55-D87 WeakPolarHBondContact CB-OD1 3.35Å; H55-D87 PolarHBondContact N-OD1 3.29Å; S85-D87 WeakPolarHBondContact OG-CB 3.22Å; S85-D87 VanDerWaalsContact OG-CG 3.25Å; S85-D87 PolarHBondContact OG-N 3.43Å; S85-D87 PolarHBondContact OG-OD2 3.2Å; D87-D92 HydrophobicContact CB-CB 3.88Å; D87-L93 HydrophobicContact CB-CB 4.48Å; D87-F109 WeakPolarHBondContact O-CE2 3.43Å | ||
| 88 | H | 95 | Very high | 91.7 | Very high | 138 Ų | 138 | 41.7 Ų | 41.7 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -94.4 | -12.9 | -176.6 | -62.2 | -29.8 | 0 | 0 | 0 | 113 | W56 F109 | W56-H88 AromaticContact CD1-CD2 3.93Å; W56-H88 AromaticContact CD1-NE2 3.81Å; W56-H88 AromaticContact CE2-CE1 3.99Å; W56-H88 AromaticContact CE2-NE2 3.95Å; W56-H88 AromaticContact NE1-CE1 3.54Å; W56-H88 AromaticContact NE1-NE2 3.58Å; H88-F109 VanDerWaalsContact C-CE2 3.44Å; H88-F109 VanDerWaalsContact O-CZ 3.28Å; H88-F109 WeakPolarHBondContact O-CZ 3.41Å |
| 89 | S | 95.9 | Very high | 92.5 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -147.1 | 162.8 | 175.2 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | N91 D92 L93 F109 | S89-N91 PolarHBondContact O-N 3.49Å; S89-N91 PolarHBondContact OG-N 3.07Å; S89-D92 WeakPolarHBondContact CB-OD2 3.18Å; S89-D92 PolarHBondContact N-OD2 3.45Å; S89-D92 VanDerWaalsContact N-OD2 3.09Å; S89-D92 PolarHBondContact O-N 3.48Å; S89-D92 PolarHBondContact OG-N 3.11Å; S89-D92 VanDerWaalsContact OG-N 3.1Å; S89-D92 PolarHBondContact OG-OD1 3.38Å; S89-D92 PolarHBondContact OG-OD2 3.38Å; S89-L93 PolarHBondContact O-N 3.28Å; S89-F109 VanDerWaalsContact C-CD2 3.43Å; S89-F109 VanDerWaalsContact CA-CE2 3.49Å |
| 90 | A | 94 | Very high | 93 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -24.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K94 F109 | A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 3.27Å; A90-K94 VanDerWaalsContact O-N 3.11Å; A90-F109 HydrophobicContact CB-CB 3.84Å; A90-F109 HydrophobicContact CB-CD1 4.13Å; A90-F109 HydrophobicContact CB-CG 4.08Å |
| 91 | N | 94.5 | Very high | 93 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.5 | -47.6 | 177.9 | -168.5 | 70.2 | 0 | 0 | 0 | 110.9 | S89 L93 K94 E95 | S89-N91 PolarHBondContact O-N 3.49Å; S89-N91 PolarHBondContact OG-N 3.07Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.28Å; N91-K94 WeakPolarHBondContact O-CB 3.12Å; N91-K94 PolarHBondContact O-N 2.87Å; N91-E95 VanDerWaalsContact ND2-CD 3.29Å; N91-E95 PolarHBondContact ND2-OE1 2.66Å; N91-E95 WeakPolarHBondContact O-CG 3.21Å; N91-E95 PolarHBondContact O-N 3.1Å |
| 92 | D | 95.2 | Very high | 92.6 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.7 | -52.6 | -33.3 | 0 | 0 | 0 | 111.2 | D87 S89 K94 E95 Y96 | D87-D92 HydrophobicContact CB-CB 3.88Å; S89-D92 WeakPolarHBondContact CB-OD2 3.18Å; S89-D92 PolarHBondContact N-OD2 3.45Å; S89-D92 VanDerWaalsContact N-OD2 3.09Å; S89-D92 PolarHBondContact O-N 3.48Å; S89-D92 PolarHBondContact OG-N 3.11Å; S89-D92 VanDerWaalsContact OG-N 3.1Å; S89-D92 PolarHBondContact OG-OD1 3.38Å; S89-D92 PolarHBondContact OG-OD2 3.38Å; D92-K94 PolarHBondContact O-N 3.31Å; D92-E95 PolarHBondContact O-N 2.81Å; D92-Y96 WeakPolarHBondContact O-CB 3.4Å; D92-Y96 PolarHBondContact O-N 3.49Å |
| 93 | L | 94.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.4 | -50.8 | 172.4 | 168.9 | 58.2 | 0 | 0 | 0 | 111.2 | F83 D87 S89 N91 Y96 M97 F106 F109 | F83-L93 HydrophobicContact CD1-CD1 3.63Å; F83-L93 HydrophobicContact CE1-CD1 3.39Å; D87-L93 HydrophobicContact CB-CB 4.48Å; S89-L93 PolarHBondContact O-N 3.28Å; N91-L93 VanDerWaalsContact C-N 3.3Å; N91-L93 PolarHBondContact O-N 3.28Å; L93-Y96 PolarHBondContact O-N 3.34Å; L93-M97 HydrophobicContact CD1-CG 3.96Å; L93-M97 HydrophobicContact CD1-SD 4.46Å; L93-M97 WeakPolarHBondContact O-CG 3.43Å; L93-M97 PolarHBondContact O-N 2.84Å; L93-F106 HydrophobicContact CD1-CD2 4.48Å; L93-F106 HydrophobicContact CD2-CD2 4.1Å; L93-F106 HydrophobicContact CD2-CE2 4.19Å; L93-F109 HydrophobicContact CD2-CB 3.91Å |
| 94 | K | 91.7 | Very high | 92.5 | Very high | 131 Ų | 131 | 46.1 Ų | 46.1 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.7 | -45.8 | -177.8 | -179.3 | -177.5 | 174.8 | -174.9 | 0 | 111.4 | A90 N91 D92 Y96 M97 L98 | A90-K94 WeakPolarHBondContact O-CB 3.37Å; A90-K94 PolarHBondContact O-N 3.27Å; A90-K94 VanDerWaalsContact O-N 3.11Å; N91-K94 WeakPolarHBondContact O-CB 3.12Å; N91-K94 PolarHBondContact O-N 2.87Å; D92-K94 PolarHBondContact O-N 3.31Å; K94-Y96 VanDerWaalsContact C-N 3.34Å; K94-Y96 PolarHBondContact O-N 3.07Å; K94-M97 PolarHBondContact O-N 2.83Å; K94-L98 HydrophobicContact CG-CD1 4Å; K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 2.82Å |
| 95 | E | 93.6 | Very high | 92.6 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 177.4 | -74.1 | 177 | -178.4 | 0 | 0 | 110.4 | N91 D92 M97 L98 E99 | N91-E95 VanDerWaalsContact ND2-CD 3.29Å; N91-E95 PolarHBondContact ND2-OE1 2.66Å; N91-E95 WeakPolarHBondContact O-CG 3.21Å; N91-E95 PolarHBondContact O-N 3.1Å; D92-E95 PolarHBondContact O-N 2.81Å; E95-M97 PolarHBondContact O-N 3.13Å; E95-L98 PolarHBondContact O-N 3.29Å; E95-E99 WeakPolarHBondContact O-CB 3.4Å; E95-E99 VanDerWaalsContact O-CG 3.24Å; E95-E99 WeakPolarHBondContact O-CG 2.95Å; E95-E99 PolarHBondContact O-N 3.23Å |
| 96 | Y | 94.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 179.5 | -162.3 | -169.4 | 0 | 0 | 0 | 113.6 | S53 H55 C60 R61 T64 F83 D92 L93 K94 L98 E99 A100 H101 | S53-Y96 PolarHBondContact OG-OH 3.25Å; H55-Y96 HydrophobicContact CB-CD1 3.87Å; H55-Y96 HydrophobicContact CB-CG 3.86Å; H55-Y96 AromaticContact CD2-CD2 3.62Å; H55-Y96 AromaticContact CD2-CG 3.62Å; H55-Y96 VanDerWaalsContact N-CD1 3.29Å; C60-Y96 VanDerWaalsContact C-OH 3.26Å; C60-Y96 WeakPolarHBondContact CB-OH 3.35Å; C60-Y96 PolarHBondContact O-OH 2.93Å; R61-Y96 HydrophobicContact CG-CE2 4.3Å; R61-Y96 PolarHBondContact N-OH 2.8Å; T64-Y96 HydrophobicContact CG2-CE2 4.12Å; T64-Y96 PolarHBondContact OG1-OH 2.8Å; F83-Y96 HydrophobicContact CE1-CD1 4.23Å; F83-Y96 HydrophobicContact CE2-CE1 4.34Å; F83-Y96 AromaticContact CZ-CD1 3.71Å; F83-Y96 HydrophobicContact CZ-CD1 3.71Å; F83-Y96 AromaticContact CZ-CE1 3.88Å; F83-Y96 HydrophobicContact CZ-CE1 3.88Å; D92-Y96 WeakPolarHBondContact O-CB 3.4Å; D92-Y96 PolarHBondContact O-N 3.49Å; L93-Y96 PolarHBondContact O-N 3.34Å; K94-Y96 VanDerWaalsContact C-N 3.34Å; K94-Y96 PolarHBondContact O-N 3.07Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 2.86Å; Y96-E99 PolarHBondContact O-N 3.42Å; Y96-A100 HydrophobicContact CD2-CB 3.98Å; Y96-A100 HydrophobicContact CE2-CB 3.9Å; Y96-A100 PolarHBondContact O-N 2.74Å; Y96-H101 AromaticContact CD1-NE2 3.49Å; Y96-H101 WeakPolarHBondContact CD1-NE2 3.16Å; Y96-H101 AromaticContact CD2-CD2 3.8Å; Y96-H101 AromaticContact CD2-NE2 3.51Å; Y96-H101 AromaticContact CE1-NE2 3.58Å; Y96-H101 AromaticContact CE2-NE2 3.61Å; Y96-H101 AromaticContact CG-NE2 3.47Å; Y96-H101 AromaticContact CZ-NE2 3.66Å; Y96-H101 PolarHBondContact O-CD2 2.72Å |
| 97 | M | 92.3 | Very high | 92.4 | Very high | 7 Ų | 7 | 44.1 Ų | 44.1 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 177.4 | -67.2 | -69.3 | -57 | 0 | 0 | 111.4 | M29 F83 L93 K94 E95 H101 W104 F106 | M29-M97 HydrophobicContact CB-CE 4.27Å; M29-M97 HydrophobicContact CG-CB 4.36Å; M29-M97 HydrophobicContact CG-CE 3.33Å; F83-M97 HydrophobicContact CB-SD 4.16Å; F83-M97 HydrophobicContact CD1-CG 4.44Å; F83-M97 HydrophobicContact CD1-SD 3.43Å; F83-M97 WeakPolarHBondContact CD1-SD 3.35Å; F83-M97 HydrophobicContact CE1-SD 4.1Å; F83-M97 HydrophobicContact CG-SD 4.07Å; L93-M97 HydrophobicContact CD1-CG 3.96Å; L93-M97 HydrophobicContact CD1-SD 4.46Å; L93-M97 WeakPolarHBondContact O-CG 3.43Å; L93-M97 PolarHBondContact O-N 2.84Å; K94-M97 PolarHBondContact O-N 2.83Å; E95-M97 PolarHBondContact O-N 3.13Å; M97-H101 HydrophobicContact CE-CB 4.29Å; M97-H101 WeakPolarHBondContact O-CB 3.09Å; M97-H101 HydrophobicContact SD-CB 4.29Å; M97-H101 VanDerWaalsContact SD-CE1 3.57Å; M97-H101 PolarHBondContact SD-ND1 3.28Å; M97-W104 HydrophobicContact CE-CB 4.4Å; M97-F106 HydrophobicContact CE-CB 4.07Å; M97-F106 HydrophobicContact CE-CD1 3.79Å; M97-F106 HydrophobicContact CE-CG 4.17Å; M97-F106 HydrophobicContact SD-CB 4.14Å; M97-F106 HydrophobicContact SD-CG 4.43Å |
| 98 | L | 91.6 | Very high | 92.1 | Very high | 90 Ų | 90 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -75.9 | -35.8 | 179.9 | -69.9 | 174 | 0 | 0 | 0 | 113 | M29 K94 E95 Y96 | M29-L98 HydrophobicContact CE-CD2 3.71Å; M29-L98 HydrophobicContact CE-CG 4.47Å; K94-L98 HydrophobicContact CG-CD1 4Å; K94-L98 WeakPolarHBondContact O-CG 3.36Å; K94-L98 PolarHBondContact O-N 2.82Å; E95-L98 PolarHBondContact O-N 3.29Å; Y96-L98 VanDerWaalsContact C-N 3.29Å; Y96-L98 PolarHBondContact O-N 2.86Å |
| 99 | E | 91.4 | Very high | 92 | Very high | 131 Ų | 131 | 42.5 Ų | 42.5 | 61% | 0.612 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -78.6 | -41.9 | -174.7 | -74 | 176.6 | 173.1 | 0 | 0 | 113.2 | H55 E95 Y96 | H55-E99 IonicContact CD2-OE2 3.79Å; H55-E99 IonicContact CE1-OE2 3.8Å; H55-E99 IonicContact NE2-OE2 2.84Å; H55-E99 PolarHBondContact NE2-OE2 2.9Å; E95-E99 WeakPolarHBondContact O-CB 3.4Å; E95-E99 VanDerWaalsContact O-CG 3.24Å; E95-E99 WeakPolarHBondContact O-CG 2.95Å; E95-E99 PolarHBondContact O-N 3.23Å; Y96-E99 PolarHBondContact O-N 3.42Å |
| 100 | A | 88.7 | Confident | 91.7 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -131.4 | -13.4 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T64 Y96 | T64-A100 HydrophobicContact CG2-CB 3.99Å; Y96-A100 HydrophobicContact CD2-CB 3.98Å; Y96-A100 HydrophobicContact CE2-CB 3.9Å; Y96-A100 PolarHBondContact O-N 2.74Å |
| 101 | H | 87.9 | Confident | 91.5 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -91.8 | 167.6 | -174 | -66.3 | -145.1 | 0 | 0 | 0 | 111.9 | T64 K68 F83 Y96 M97 W104 | T64-H101 WeakPolarHBondContact CG2-CD2 3.33Å; T64-H101 WeakPolarHBondContact CG2-NE2 3.5Å; K68-H101 WeakPolarHBondContact CD-O 3.42Å; K68-H101 WeakPolarHBondContact CE-O 3.42Å; K68-H101 PolarHBondContact NZ-O 3.19Å; F83-H101 AromaticContact CD1-CE1 3.64Å; F83-H101 AromaticContact CD2-CE1 3.65Å; F83-H101 AromaticContact CE1-CE1 3.63Å; F83-H101 AromaticContact CE2-CE1 3.68Å; F83-H101 AromaticContact CG-CE1 3.64Å; F83-H101 AromaticContact CZ-CE1 3.68Å; Y96-H101 AromaticContact CD1-NE2 3.49Å; Y96-H101 WeakPolarHBondContact CD1-NE2 3.16Å; Y96-H101 AromaticContact CD2-CD2 3.8Å; Y96-H101 AromaticContact CD2-NE2 3.51Å; Y96-H101 AromaticContact CE1-NE2 3.58Å; Y96-H101 AromaticContact CE2-NE2 3.61Å; Y96-H101 AromaticContact CG-NE2 3.47Å; Y96-H101 AromaticContact CZ-NE2 3.66Å; Y96-H101 PolarHBondContact O-CD2 2.72Å; M97-H101 HydrophobicContact CE-CB 4.29Å; M97-H101 WeakPolarHBondContact O-CB 3.09Å; M97-H101 HydrophobicContact SD-CB 4.29Å; M97-H101 VanDerWaalsContact SD-CE1 3.57Å; M97-H101 PolarHBondContact SD-ND1 3.28Å; H101-W104 HydrophobicContact CB-CD2 4.1Å; H101-W104 HydrophobicContact CB-CE3 3.71Å; H101-W104 HydrophobicContact CB-CH2 4.28Å; H101-W104 HydrophobicContact CB-CZ3 3.8Å; H101-W104 AromaticContact CE1-CE3 3.95Å; H101-W104 AromaticContact CE1-CZ3 3.61Å; H101-W104 AromaticContact CG-CE3 3.58Å; H101-W104 AromaticContact CG-CZ3 3.38Å; H101-W104 AromaticContact ND1-CE3 3.11Å; H101-W104 AromaticContact ND1-CZ3 3.11Å; H101-W104 WeakPolarHBondContact ND1-CZ3 3.39Å | ||
| 102 | G | 82.7 | Confident | 91.2 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | trans | -87.3 | -171.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W104 | G102-W104 PolarHBondContact O-N 3.41Š| ||
| 103 | D | 90.2 | Very high | 90.8 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -71.8 | 55.4 | 172.4 | -79.2 | -23.8 | 0 | 0 | 0 | 111.8 | K28 M29 N31 Y71 | K28-D103 WeakPolarHBondContact CE-O 3.43Å; K28-D103 PolarHBondContact NZ-O 2.94Å; M29-D103 CarbonylContact O-C 3.4Å; M29-D103 WeakPolarHBondContact O-CA 3.14Å; M29-D103 VanDerWaalsContact O-CB 3.27Å; M29-D103 WeakPolarHBondContact O-CB 3.31Å; N31-D103 PolarHBondContact N-OD1 3.12Å; Y71-D103 PolarHBondContact OH-O 2.86Å |
| 104 | W | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -83.5 | 162.3 | -174.5 | -57.4 | -18.5 | 0 | 0 | 0 | 112.3 | M29 Y51 T64 L67 K68 Y71 V81 M97 H101 G102 | M29-W104 PolarHBondContact N-O 2.84Å; Y51-W104 AromaticContact CD1-CZ3 3.9Å; Y51-W104 HydrophobicContact CD1-CZ3 3.9Å; Y51-W104 HydrophobicContact CE1-CZ3 4.09Å; T64-W104 HydrophobicContact CG2-CH2 3.66Å; T64-W104 HydrophobicContact CG2-CZ3 3.92Å; L67-W104 HydrophobicContact CB-CH2 4.23Å; L67-W104 HydrophobicContact CB-CZ2 4.36Å; L67-W104 HydrophobicContact CD2-CH2 4.07Å; L67-W104 HydrophobicContact CD2-CZ2 4.44Å; L67-W104 HydrophobicContact CD2-CZ3 4.45Å; L67-W104 HydrophobicContact CG-CH2 4.12Å; L67-W104 HydrophobicContact CG-CZ2 4.09Å; K68-W104 HydrophobicContact CB-CH2 4.43Å; K68-W104 HydrophobicContact CB-CZ2 3.77Å; Y71-W104 AromaticContact CD1-CD1 3.56Å; Y71-W104 AromaticContact CD1-NE1 3.37Å; Y71-W104 AromaticContact CD2-CD1 3.96Å; Y71-W104 AromaticContact CD2-NE1 3.93Å; Y71-W104 AromaticContact CE1-CD1 3.58Å; Y71-W104 AromaticContact CE1-NE1 3.91Å; Y71-W104 AromaticContact CE2-CD1 3.96Å; Y71-W104 AromaticContact CG-CD1 3.74Å; Y71-W104 AromaticContact CG-NE1 3.36Å; Y71-W104 AromaticContact CZ-CD1 3.76Å; V81-W104 HydrophobicContact CB-CB 4.21Å; V81-W104 HydrophobicContact CB-CD2 4.02Å; V81-W104 HydrophobicContact CB-CG 3.85Å; V81-W104 HydrophobicContact CG1-CB 4.36Å; V81-W104 HydrophobicContact CG1-CD2 3.78Å; V81-W104 HydrophobicContact CG1-CE3 3.77Å; V81-W104 HydrophobicContact CG1-CG 4.05Å; V81-W104 HydrophobicContact CG1-CZ3 4.36Å; M97-W104 HydrophobicContact CE-CB 4.4Å; H101-W104 HydrophobicContact CB-CD2 4.1Å; H101-W104 HydrophobicContact CB-CE3 3.71Å; H101-W104 HydrophobicContact CB-CH2 4.28Å; H101-W104 HydrophobicContact CB-CZ3 3.8Å; H101-W104 AromaticContact CE1-CE3 3.95Å; H101-W104 AromaticContact CE1-CZ3 3.61Å; H101-W104 AromaticContact CG-CE3 3.58Å; H101-W104 AromaticContact CG-CZ3 3.38Å; H101-W104 AromaticContact ND1-CE3 3.11Å; H101-W104 AromaticContact ND1-CZ3 3.11Å; H101-W104 WeakPolarHBondContact ND1-CZ3 3.39Å; G102-W104 PolarHBondContact O-N 3.41Å | ||
| 105 | C | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 154.7 | 161.8 | -67.2 | 0 | 0 | 0 | 0 | 110.9 | V26 M27 E80 V81 V82 F83 | V26-C105 HydrophobicContact CG1-CB 3.69Å; M27-C105 CarbonylContact O-C 3.52Å; M27-C105 WeakPolarHBondContact O-CA 3.35Å; E80-C105 HydrophobicContact CG-CB 4.3Å; V81-C105 WeakPolarHBondContact O-CA 3.28Å; V81-C105 WeakPolarHBondContact O-CB 3.3Å; V81-C105 PolarHBondContact O-N 3.22Å; V82-C105 CarbonylContact C-O 3.59Å; V82-C105 WeakPolarHBondContact CA-O 2.83Å; V82-C105 HydrophobicContact CB-CB 4.39Å; V82-C105 HydrophobicContact CG2-CB 3.82Å; F83-C105 PolarHBondContact N-O 2.85Å |
| 106 | F | 93.4 | Very high | 89.9 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 157.8 | 173.3 | 71.2 | -84.1 | 0 | 0 | 0 | 111.8 | M27 M29 A34 F83 L93 M97 | M27-F106 HydrophobicContact CB-CD1 4.02Å; M27-F106 HydrophobicContact CB-CE1 3.49Å; M27-F106 VanDerWaalsContact CB-CE1 3.49Å; M27-F106 HydrophobicContact CB-CE2 4.06Å; M27-F106 HydrophobicContact CB-CZ 3.52Å; M27-F106 HydrophobicContact CG-CZ 4.2Å; M27-F106 PolarHBondContact N-O 2.81Å; M27-F106 PolarHBondContact O-N 2.81Å; M27-F106 HydrophobicContact SD-CE2 4.06Å; M27-F106 HydrophobicContact SD-CZ 3.78Å; M29-F106 HydrophobicContact CG-CD1 4.1Å; M29-F106 HydrophobicContact CG-CE1 3.93Å; M29-F106 HydrophobicContact SD-CE1 3.91Å; A34-F106 HydrophobicContact CB-CE1 3.81Å; A34-F106 HydrophobicContact CB-CZ 3.66Å; F83-F106 HydrophobicContact CB-CB 3.86Å; F83-F106 HydrophobicContact CD1-CB 4.34Å; F83-F106 VanDerWaalsContact O-CA 3.3Å; F83-F106 WeakPolarHBondContact O-CA 3.3Å; L93-F106 HydrophobicContact CD1-CD2 4.48Å; L93-F106 HydrophobicContact CD2-CD2 4.1Å; L93-F106 HydrophobicContact CD2-CE2 4.19Å; M97-F106 HydrophobicContact CE-CB 4.07Å; M97-F106 HydrophobicContact CE-CD1 3.79Å; M97-F106 HydrophobicContact CE-CG 4.17Å; M97-F106 HydrophobicContact SD-CB 4.14Å; M97-F106 HydrophobicContact SD-CG 4.43Å |
| 107 | I | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 126.4 | 172.9 | -57.6 | -176.8 | 0 | 0 | 0 | 108.6 | V82 F83 V84 N111 A113 I114 L117 | V82-I107 HydrophobicContact CG1-CD1 4.5Å; V82-I107 HydrophobicContact CG1-CG1 4.1Å; F83-I107 PolarHBondContact O-N 3.05Å; V84-I107 HydrophobicContact CG2-CD1 3.97Å; I107-N111 HydrophobicContact CG2-CB 3.62Å; I107-A113 HydrophobicContact CD1-CB 4.21Å; I107-A113 HydrophobicContact CG2-CB 4.05Å; I107-I114 HydrophobicContact CB-CG1 4.24Å; I107-I114 HydrophobicContact CG2-CD1 4.29Å; I107-I114 HydrophobicContact CG2-CG1 3.73Å; I107-L117 HydrophobicContact CD1-CD1 3.23Å |
| 108 | P | 91.2 | Very high | 88.7 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 144.7 | 179.6 | -26 | 34.8 | 0 | 0 | 0 | 112.9 | T25 M27 G110 N111 | T25-P108 HydrophobicContact CG2-CG 4.01Å; T25-P108 WeakPolarHBondContact O-CD 3.39Å; M27-P108 HydrophobicContact CG-CG 3.88Å; M27-P108 HydrophobicContact SD-CG 3.76Å; P108-G110 PolarHBondContact O-N 3.22Å; P108-N111 WeakPolarHBondContact O-CB 3.21Å; P108-N111 PolarHBondContact O-N 2.82Å; P108-N111 VanDerWaalsContact O-N 3.15Å |
| 109 | F | 92.2 | Very high | 88.2 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 38% | 0.382 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 139 | 175.3 | -179.6 | -91.6 | 0 | 0 | 0 | 111.8 | D87 H88 S89 A90 L93 N111 | D87-F109 WeakPolarHBondContact O-CE2 3.43Å; H88-F109 VanDerWaalsContact C-CE2 3.44Å; H88-F109 VanDerWaalsContact O-CZ 3.28Å; H88-F109 WeakPolarHBondContact O-CZ 3.41Å; S89-F109 VanDerWaalsContact C-CD2 3.43Å; S89-F109 VanDerWaalsContact CA-CE2 3.49Å; A90-F109 HydrophobicContact CB-CB 3.84Å; A90-F109 HydrophobicContact CB-CD1 4.13Å; A90-F109 HydrophobicContact CB-CG 4.08Å; L93-F109 HydrophobicContact CD2-CB 3.91Å; F109-N111 PolarHBondContact O-N 3.11Å |
| 110 | G | 89.4 | Confident | 87.4 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 63% | 0.629 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -2.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P108 | P108-G110 PolarHBondContact O-N 3.22Š|
| 111 | N | 89.5 | Confident | 86.4 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | trans | -66.4 | 128.7 | 176.8 | -169 | -44.1 | 0 | 0 | 0 | 110.9 | I107 P108 F109 A113 I114 | I107-N111 HydrophobicContact CG2-CB 3.62Å; P108-N111 WeakPolarHBondContact O-CB 3.21Å; P108-N111 PolarHBondContact O-N 2.82Å; P108-N111 VanDerWaalsContact O-N 3.15Å; F109-N111 PolarHBondContact O-N 3.11Å; N111-A113 PolarHBondContact O-N 2.71Å; N111-A113 WeakPolarHBondContact OD1-CB 3.47Å; N111-A113 PolarHBondContact OD1-N 2.79Å; N111-I114 WeakPolarHBondContact O-CB 3.45Å; N111-I114 PolarHBondContact O-N 3.35Å | ||
| 112 | P | 88.3 | Confident | 85.8 | Confident | 89 Ų | 89 | 45.3 Ų | 45.3 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -53.7 | -27.1 | 177.6 | -27.7 | 35.3 | 0 | 0 | 0 | 114.5 | I114 K115 E116 | P112-I114 PolarHBondContact O-N 3.48Å; P112-K115 PolarHBondContact O-N 2.89Å; P112-K115 VanDerWaalsContact O-N 3.13Å; P112-E116 PolarHBondContact O-N 2.71Å; P112-E116 VanDerWaalsContact O-N 3.14Å |
| 113 | A | 86.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -50.9 | -36.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K24 I107 N111 K115 E116 L117 | K24-A113 HydrophobicContact CB-CB 4.05Å; K24-A113 HydrophobicContact CD-CB 3.55Å; K24-A113 HydrophobicContact CG-CB 3.79Å; I107-A113 HydrophobicContact CD1-CB 4.21Å; I107-A113 HydrophobicContact CG2-CB 4.05Å; N111-A113 PolarHBondContact O-N 2.71Å; N111-A113 WeakPolarHBondContact OD1-CB 3.47Å; N111-A113 PolarHBondContact OD1-N 2.79Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.74Å; A113-E116 PolarHBondContact O-N 3.21Å; A113-L117 WeakPolarHBondContact O-CB 3.08Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.42Å; A113-L117 PolarHBondContact O-N 3.13Å |
| 114 | I | 87.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 12% | 0.118 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | -179.6 | -64 | 172.2 | 0 | 0 | 0 | 109.7 | V84 F86 I107 N111 P112 S118 | V84-I114 HydrophobicContact CG1-CB 4.29Å; V84-I114 HydrophobicContact CG1-CG1 4.23Å; V84-I114 HydrophobicContact CG1-CG2 3.95Å; F86-I114 HydrophobicContact CD1-CG2 4.03Å; F86-I114 HydrophobicContact CE1-CG2 3.95Å; I107-I114 HydrophobicContact CB-CG1 4.24Å; I107-I114 HydrophobicContact CG2-CD1 4.29Å; I107-I114 HydrophobicContact CG2-CG1 3.73Å; N111-I114 WeakPolarHBondContact O-CB 3.45Å; N111-I114 PolarHBondContact O-N 3.35Å; P112-I114 PolarHBondContact O-N 3.48Å; I114-S118 VanDerWaalsContact O-CB 3.22Å; I114-S118 WeakPolarHBondContact O-CB 2.88Å; I114-S118 PolarHBondContact O-N 2.88Å |
| 115 | K | 88 | Confident | 83.5 | Confident | 140 Ų | 140 | 53.3 Ų | 53.3 | 61% | 0.609 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 178.6 | -174.8 | 177.7 | 179.7 | -179.7 | 0 | 111.4 | P112 A113 S118 Q119 | P112-K115 PolarHBondContact O-N 2.89Å; P112-K115 VanDerWaalsContact O-N 3.13Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.74Å; K115-S118 PolarHBondContact O-N 3.46Å; K115-Q119 WeakPolarHBondContact O-CB 3.32Å; K115-Q119 VanDerWaalsContact O-CG 3.29Å; K115-Q119 WeakPolarHBondContact O-CG 3.07Å; K115-Q119 PolarHBondContact O-N 3.21Å |
| 116 | E | 85.5 | Confident | 83 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 179.9 | -70 | 174.5 | -151.4 | 0 | 0 | 112.4 | K24 P112 A113 Q119 M120 | K24-E116 IonicContact NZ-OE2 2.59Å; K24-E116 PolarHBondContact NZ-OE2 2.87Å; P112-E116 PolarHBondContact O-N 2.71Å; P112-E116 VanDerWaalsContact O-N 3.14Å; A113-E116 PolarHBondContact O-N 3.21Å; E116-Q119 PolarHBondContact O-N 3.21Å; E116-M120 WeakPolarHBondContact O-CB 3.34Å; E116-M120 PolarHBondContact O-N 3.05Å |
| 117 | L | 82.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177.6 | -69.5 | 169.1 | 0 | 0 | 0 | 111.2 | L21 L50 F52 V84 I107 A113 Q119 M120 Y121 | L21-L117 HydrophobicContact CD2-CD1 4.19Å; L50-L117 HydrophobicContact CD1-CD2 4.02Å; F52-L117 HydrophobicContact CE1-CB 4.04Å; F52-L117 HydrophobicContact CZ-CB 4.07Å; V84-L117 HydrophobicContact CG2-CD1 4.22Å; I107-L117 HydrophobicContact CD1-CD1 3.23Å; A113-L117 WeakPolarHBondContact O-CB 3.08Å; A113-L117 VanDerWaalsContact O-CG 3.27Å; A113-L117 WeakPolarHBondContact O-CG 3.42Å; A113-L117 PolarHBondContact O-N 3.13Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.18Å; L117-M120 PolarHBondContact O-N 3.33Å; L117-Y121 HydrophobicContact CD2-CE2 4Å; L117-Y121 VanDerWaalsContact O-CD2 3.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.48Å; L117-Y121 PolarHBondContact O-N 3.14Å |
| 118 | S | 79.7 | Confident | 81.7 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | I114 K115 S122 V123 | I114-S118 VanDerWaalsContact O-CB 3.22Å; I114-S118 WeakPolarHBondContact O-CB 2.88Å; I114-S118 PolarHBondContact O-N 2.88Å; K115-S118 PolarHBondContact O-N 3.46Å; S118-S122 WeakPolarHBondContact O-CA 3.23Å; S118-S122 PolarHBondContact O-N 3.29Å; S118-V123 PolarHBondContact O-N 3.4Å |
| 119 | Q | 79.9 | Confident | 80.8 | Confident | 125 Ų | 125 | 54.5 Ų | 54.5 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.9 | -46.2 | 176.5 | -72.3 | 177.6 | -20.5 | 0 | 0 | 112.3 | K115 E116 L117 Y121 S122 | K115-Q119 WeakPolarHBondContact O-CB 3.32Å; K115-Q119 VanDerWaalsContact O-CG 3.29Å; K115-Q119 WeakPolarHBondContact O-CG 3.07Å; K115-Q119 PolarHBondContact O-N 3.21Å; E116-Q119 PolarHBondContact O-N 3.21Å; L117-Q119 VanDerWaalsContact C-N 3.32Å; L117-Q119 PolarHBondContact O-N 3.18Å; Q119-Y121 VanDerWaalsContact C-N 3.28Å; Q119-Y121 PolarHBondContact O-N 3.31Å; Q119-S122 PolarHBondContact O-N 2.75Å; Q119-S122 VanDerWaalsContact O-N 3.07Å |
| 120 | M | 75.6 | Confident | 79.5 | Confident | 96 Ų | 96 | 50.4 Ų | 50.4 | 47% | 0.473 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 179.8 | -178.7 | 178.7 | -65.6 | 0 | 0 | 111.8 | L20 E116 L117 | L20-M120 HydrophobicContact CD2-CE 4.18Å; E116-M120 WeakPolarHBondContact O-CB 3.34Å; E116-M120 PolarHBondContact O-N 3.05Å; L117-M120 PolarHBondContact O-N 3.33Å |
| 121 | Y | 66.9 | Low | 78.4 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -93.9 | 1.5 | 178.9 | -63.8 | -61.8 | 0 | 0 | 0 | 113.9 | M17 L50 F52 L117 Q119 V123 V130 A138 K141 | M17-Y121 VanDerWaalsContact CE-OH 3.28Å; M17-Y121 WeakPolarHBondContact CE-OH 3.27Å; L50-Y121 HydrophobicContact CD1-CD2 3.93Å; L50-Y121 HydrophobicContact CD1-CE2 3.38Å; F52-Y121 HydrophobicContact CE2-CD2 4.45Å; F52-Y121 HydrophobicContact CZ-CD2 4.03Å; L117-Y121 HydrophobicContact CD2-CE2 4Å; L117-Y121 VanDerWaalsContact O-CD2 3.29Å; L117-Y121 WeakPolarHBondContact O-CD2 3.48Å; L117-Y121 PolarHBondContact O-N 3.14Å; Q119-Y121 VanDerWaalsContact C-N 3.28Å; Q119-Y121 PolarHBondContact O-N 3.31Å; Y121-V123 VanDerWaalsContact C-N 3.3Å; Y121-V123 PolarHBondContact O-N 2.78Å; Y121-V130 HydrophobicContact CD1-CG1 3.84Å; Y121-V130 HydrophobicContact CD2-CG1 4.45Å; Y121-V130 HydrophobicContact CE1-CG1 3.96Å; Y121-V130 HydrophobicContact CG-CG1 4.1Å; Y121-V130 HydrophobicContact CG-CG2 4.26Å; Y121-A138 HydrophobicContact CD1-CB 4.35Å; Y121-A138 HydrophobicContact CE1-CB 3.6Å; Y121-K141 WeakPolarHBondContact O-CE 3.25Å; Y121-K141 PolarHBondContact O-NZ 3.47Å |
| 122 | S | 75 | Confident | 77 | Confident | 62 Ų | 62 | 46.3 Ų | 46.3 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 42.1 | 178.7 | -39.2 | 0 | 0 | 0 | 0 | 112.9 | S118 Q119 Q124 | S118-S122 WeakPolarHBondContact O-CA 3.23Å; S118-S122 PolarHBondContact O-N 3.29Å; Q119-S122 PolarHBondContact O-N 2.75Å; Q119-S122 VanDerWaalsContact O-N 3.07Å; S122-Q124 WeakPolarHBondContact O-CG 3.24Å; S122-Q124 PolarHBondContact O-N 2.93Å; S122-Q124 VanDerWaalsContact O-N 3.11Å; S122-Q124 PolarHBondContact O-NE2 2.69Å |
| 123 | V | 69.6 | Low | 75.4 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | trans | -61 | 113.5 | -178.5 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | F52 F86 S118 Y121 I126 M128 | F52-V123 HydrophobicContact CB-CG1 4.24Å; F52-V123 HydrophobicContact CD1-CG2 3.8Å; F52-V123 HydrophobicContact CD2-CG2 3.97Å; F52-V123 HydrophobicContact CE1-CG2 3.84Å; F52-V123 HydrophobicContact CE2-CG2 4.03Å; F52-V123 HydrophobicContact CG-CG1 4.36Å; F52-V123 HydrophobicContact CG-CG2 3.87Å; F52-V123 HydrophobicContact CZ-CG2 3.96Å; F86-V123 HydrophobicContact CE2-CG1 3.98Å; F86-V123 HydrophobicContact CZ-CB 4.43Å; F86-V123 HydrophobicContact CZ-CG1 3.99Å; S118-V123 PolarHBondContact O-N 3.4Å; Y121-V123 VanDerWaalsContact C-N 3.3Å; Y121-V123 PolarHBondContact O-N 2.78Å; V123-I126 HydrophobicContact CG1-CG2 4.45Å; V123-M128 HydrophobicContact CB-SD 3.96Å; V123-M128 HydrophobicContact CG1-CB 4.38Å; V123-M128 HydrophobicContact CG1-SD 3.86Å; V123-M128 HydrophobicContact CG2-CE 4.38Å; V123-M128 HydrophobicContact CG2-SD 3.71Å | ||
| 124 | Q | 75 | Confident | 74 | Confident | 175 Ų | 175 | 46 Ų | 46 | 82% | 0.818 | 24% | 0.244 | S | C | * | . | trans | -102 | -13.5 | 179.6 | -61 | -51.3 | -66.3 | 0 | 0 | 113.4 | S122 | S122-Q124 WeakPolarHBondContact O-CG 3.24Å; S122-Q124 PolarHBondContact O-N 2.93Å; S122-Q124 VanDerWaalsContact O-N 3.11Å; S122-Q124 PolarHBondContact O-NE2 2.69Å | ||
| 125 | G | 74.3 | Confident | 72.1 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -164.2 | 161.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 126 | I | 81.8 | Confident | 70.2 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -123.5 | 150.9 | 177.5 | 56.9 | 166.4 | 0 | 0 | 0 | 111.2 | F52 A54 W56 C57 F86 V123 | F52-I126 HydrophobicContact CB-CG2 4.16Å; A54-I126 HydrophobicContact CB-CD1 3.74Å; W56-I126 HydrophobicContact CH2-CD1 3.85Å; W56-I126 HydrophobicContact CH2-CG1 4.44Å; W56-I126 HydrophobicContact CZ2-CD1 3.78Å; C57-I126 HydrophobicContact CB-CD1 3.88Å; C57-I126 HydrophobicContact CB-CG1 4.43Å; F86-I126 HydrophobicContact CB-CD1 4.32Å; F86-I126 HydrophobicContact CD2-CD1 4.49Å; F86-I126 HydrophobicContact CD2-CG2 3.65Å; F86-I126 HydrophobicContact CE2-CG2 3.84Å; F86-I126 HydrophobicContact CG-CG2 4.39Å; V123-I126 HydrophobicContact CG1-CG2 4.45Å |
| 127 | P | 80.6 | Confident | 68.3 | Low | 12 Ų | 12 | 39.1 Ų | 39.1 | 8% | 0.078 | 22% | 0.223 | C | C | . | . | S | Bend | cis | -76.7 | 154.2 | -3.3 | 27.3 | -27.9 | 0 | 0 | 0 | 112.7 | Y51 F52 C60 F63 R144 | Y51-P127 HydrophobicContact CE2-CB 3.63Å; F52-P127 CarbonylContact O-C 3.51Å; F52-P127 VanDerWaalsContact O-CA 3.23Å; F52-P127 WeakPolarHBondContact O-CA 3.29Å; C60-P127 HydrophobicContact CB-CB 4.44Å; C60-P127 HydrophobicContact CB-CG 4.42Å; C60-P127 WeakPolarHBondContact SG-CB 3.35Å; C60-P127 WeakPolarHBondContact SG-CD 3.38Å; F63-P127 HydrophobicContact CB-CG 4.48Å; F63-P127 HydrophobicContact CD1-CB 4.38Å; F63-P127 HydrophobicContact CD1-CG 4.44Å; P127-R144 VanDerWaalsContact CD-CZ 3.43Å; P127-R144 HydrophobicContact CG-CG 4.2Å; P127-R144 WeakPolarHBondContact O-CD 3.45Å |
| 128 | M | 75.4 | Confident | 66.8 | Low | 24 Ų | 24 | 41.3 Ų | 41.3 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134.1 | 173.9 | 179.8 | 173.6 | 172.8 | 0 | 0 | 107.8 | F52 V123 V130 K141 | F52-M128 HydrophobicContact CB-CB 4.28Å; F52-M128 PolarHBondContact N-O 3.46Å; F52-M128 PolarHBondContact O-N 3.28Å; V123-M128 HydrophobicContact CB-SD 3.96Å; V123-M128 HydrophobicContact CG1-CB 4.38Å; V123-M128 HydrophobicContact CG1-SD 3.86Å; V123-M128 HydrophobicContact CG2-CE 4.38Å; V123-M128 HydrophobicContact CG2-SD 3.71Å; M128-V130 HydrophobicContact CE-CG2 3.71Å; M128-V130 HydrophobicContact CG-CG2 4.31Å; M128-K141 HydrophobicContact CE-CB 3.53Å; M128-K141 HydrophobicContact CE-CD 3.96Å; M128-K141 HydrophobicContact CE-CG 3.64Å; M128-K141 WeakPolarHBondContact CE-O 3.49Å; M128-K141 WeakPolarHBondContact CG-O 3.44Å |
| 129 | L | 72.3 | Confident | 65.4 | Low | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.8 | 178.1 | -170 | 69.8 | 0 | 0 | 0 | 107.4 | A49 L50 Y51 F63 L67 I131 K141 A143 V147 | A49-L129 HydrophobicContact CB-CD1 3.88Å; A49-L129 HydrophobicContact CB-CG 4.36Å; L50-L129 WeakPolarHBondContact O-CA 3.35Å; Y51-L129 HydrophobicContact CD2-CD1 3.96Å; Y51-L129 HydrophobicContact CG-CD1 4.09Å; F63-L129 HydrophobicContact CE1-CD2 4.43Å; F63-L129 HydrophobicContact CZ-CD2 4.08Å; L67-L129 HydrophobicContact CD1-CD2 3.99Å; L67-L129 HydrophobicContact CD2-CD1 3.93Å; L129-I131 HydrophobicContact CD2-CD1 4.2Å; L129-I131 HydrophobicContact CG-CD1 4.18Å; L129-K141 CarbonylContact O-C 3.5Å; L129-A143 HydrophobicContact CB-CB 3.73Å; L129-A143 HydrophobicContact CD2-CB 3.64Å; L129-A143 HydrophobicContact CG-CB 3.74Å; L129-A143 WeakPolarHBondContact O-CB 3.46Å; L129-A143 PolarHBondContact O-N 2.96Å; L129-A143 VanDerWaalsContact O-N 3.16Å; L129-V147 HydrophobicContact CD2-CG2 4.09Å |
| 130 | V | 66.5 | Low | 63.9 | Low | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.2 | 178.3 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | A49 L50 F52 Y121 M128 I132 A138 T140 | A49-V130 CarbonylContact C-O 3.56Å; A49-V130 WeakPolarHBondContact CA-O 3.42Å; L50-V130 HydrophobicContact CB-CB 4.22Å; L50-V130 PolarHBondContact N-O 3.04Å; L50-V130 PolarHBondContact O-N 3.36Å; F52-V130 HydrophobicContact CD2-CG2 4.27Å; F52-V130 HydrophobicContact CE2-CB 4.26Å; F52-V130 HydrophobicContact CE2-CG2 3.79Å; Y121-V130 HydrophobicContact CD1-CG1 3.84Å; Y121-V130 HydrophobicContact CD2-CG1 4.45Å; Y121-V130 HydrophobicContact CE1-CG1 3.96Å; Y121-V130 HydrophobicContact CG-CG1 4.1Å; Y121-V130 HydrophobicContact CG-CG2 4.26Å; M128-V130 HydrophobicContact CE-CG2 3.71Å; M128-V130 HydrophobicContact CG-CG2 4.31Å; V130-I132 HydrophobicContact CG1-CD1 3.79Å; V130-I132 HydrophobicContact CG1-CG1 4.11Å; V130-A138 HydrophobicContact CG1-CB 4.37Å; V130-T140 WeakPolarHBondContact CA-O 3.4Å; V130-T140 WeakPolarHBondContact CB-O 3.45Å; V130-T140 VanDerWaalsContact CG1-O 3.23Å; V130-T140 WeakPolarHBondContact CG1-O 3.25Å |
| 131 | I | 65.4 | Low | 62.8 | Low | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.5 | 174.9 | -51.2 | -59.8 | 0 | 0 | 0 | 108.4 | V47 V48 A49 F79 L129 V139 T140 A143 F224 | V47-I131 HydrophobicContact CG1-CG2 3.41Å; V47-I131 VanDerWaalsContact CG1-CG2 3.41Å; V48-I131 CarbonylContact O-C 3.56Å; V48-I131 WeakPolarHBondContact O-CA 3.27Å; A49-I131 HydrophobicContact CB-CD1 3.46Å; A49-I131 VanDerWaalsContact CB-CD1 3.46Å; F79-I131 HydrophobicContact CE2-CD1 4.44Å; L129-I131 HydrophobicContact CD2-CD1 4.2Å; L129-I131 HydrophobicContact CG-CD1 4.18Å; I131-V139 HydrophobicContact CB-CB 4.04Å; I131-V139 HydrophobicContact CB-CG2 4.4Å; I131-V139 HydrophobicContact CG2-CB 4.18Å; I131-V139 HydrophobicContact CG2-CG2 4.02Å; I131-V139 CarbonylContact O-C 3.53Å; I131-V139 VanDerWaalsContact O-CA 3.3Å; I131-V139 WeakPolarHBondContact O-CA 3.26Å; I131-V139 VanDerWaalsContact O-CB 3.3Å; I131-V139 WeakPolarHBondContact O-CB 3.41Å; I131-V139 PolarHBondContact O-N 2.82Å; I131-T140 HydrophobicContact CB-CG2 3.82Å; I131-T140 HydrophobicContact CG1-CG2 3.61Å; I131-T140 PolarHBondContact N-O 3.39Å; I131-T140 PolarHBondContact O-N 2.92Å; I131-A143 HydrophobicContact CD1-CB 4.01Å; I131-A143 HydrophobicContact CG1-CB 3.68Å; I131-F224 HydrophobicContact CG1-CE2 4.45Å; I131-F224 HydrophobicContact CG2-CD2 3.81Å; I131-F224 HydrophobicContact CG2-CE2 3.97Å |
| 132 | I | 59.5 | Low | 62.2 | Low | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.3 | 176.6 | -63.6 | 112.5 | 0 | 0 | 0 | 109.3 | M17 V48 L50 V130 A138 | M17-I132 HydrophobicContact CB-CG2 3.79Å; M17-I132 HydrophobicContact CE-CB 3.91Å; M17-I132 HydrophobicContact CE-CD1 3.51Å; M17-I132 HydrophobicContact CE-CG1 3.56Å; M17-I132 HydrophobicContact CE-CG2 3.59Å; M17-I132 HydrophobicContact CG-CG2 4.24Å; V48-I132 PolarHBondContact N-O 3.29Å; V48-I132 PolarHBondContact O-N 2.87Å; L50-I132 HydrophobicContact CB-CD1 4.17Å; L50-I132 HydrophobicContact CD1-CD1 3.43Å; L50-I132 VanDerWaalsContact CD1-CD1 3.43Å; L50-I132 HydrophobicContact CG-CD1 3.41Å; L50-I132 VanDerWaalsContact CG-CD1 3.41Å; V130-I132 HydrophobicContact CG1-CD1 3.79Å; V130-I132 HydrophobicContact CG1-CG1 4.11Å; I132-A138 HydrophobicContact CG1-CB 4.17Å |
| 133 | K | 56.6 | Low | 61.4 | Low | 43 Ų | 43 | 32.6 Ų | 32.6 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | trans | -61.6 | 157.1 | 176 | -57.9 | -170.5 | -175.4 | -177.5 | 0 | 110 | S135 G136 D137 V139 D223 E227 | K133-S135 WeakPolarHBondContact CB-OG 3.46Å; K133-S135 PolarHBondContact O-N 3.44Å; K133-G136 PolarHBondContact O-N 2.95Å; K133-D137 WeakPolarHBondContact CB-O 3.32Å; K133-D137 HydrophobicContact CD-CB 4.33Å; K133-D137 WeakPolarHBondContact CG-O 3.24Å; K133-D137 PolarHBondContact N-O 3.05Å; K133-V139 HydrophobicContact CB-CG2 4.32Å; K133-V139 HydrophobicContact CD-CG2 4.13Å; K133-V139 HydrophobicContact CG-CG2 3.22Å; K133-D223 IonicContact NZ-OD2 2.81Å; K133-D223 PolarHBondContact NZ-OD2 2.83Å; K133-E227 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 134 | A | 56.5 | Low | 60.7 | Low | 39 Ų | 39 | 34.7 Ų | 34.7 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | K46 G136 | K46-A134 WeakPolarHBondContact O-CA 3.49Å; A134-G136 PolarHBondContact O-N 2.96Å |
| 135 | S | 48.5 | Very low | 59.8 | Low | 47 Ų | 47 | 29.7 Ų | 29.7 | 33% | 0.329 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.5 | 174.4 | 70.5 | 0 | 0 | 0 | 0 | 114.5 | T16 K133 D137 | T16-S135 WeakPolarHBondContact CA-O 3.29Å; K133-S135 WeakPolarHBondContact CB-OG 3.46Å; K133-S135 PolarHBondContact O-N 3.44Å; S135-D137 PolarHBondContact OG-N 2.77Å; S135-D137 PolarHBondContact OG-OD2 3.38Å |
| 136 | G | 46.4 | Very low | 58.9 | Low | 9 Ų | 9 | 28.5 Ų | 28.5 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 88.5 | -3.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K133 A134 | K133-G136 PolarHBondContact O-N 2.95Å; A134-G136 PolarHBondContact O-N 2.96Å |
| 137 | D | 46.3 | Very low | 57.8 | Low | 56 Ų | 56 | 27.3 Ų | 27.3 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | trans | -73.9 | 128.4 | 172.5 | -57.9 | -53.5 | 0 | 0 | 0 | 108.5 | K133 S135 V139 | K133-D137 WeakPolarHBondContact CB-O 3.32Å; K133-D137 HydrophobicContact CD-CB 4.33Å; K133-D137 WeakPolarHBondContact CG-O 3.24Å; K133-D137 PolarHBondContact N-O 3.05Å; S135-D137 PolarHBondContact OG-N 2.77Å; S135-D137 PolarHBondContact OG-OD2 3.38Å; D137-V139 PolarHBondContact O-N 3.27Å | ||
| 138 | A | 50.1 | Low | 56.6 | Low | 47 Ų | 47 | 30 Ų | 30 | 39% | 0.388 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -64.3 | 126.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y121 V130 I132 | Y121-A138 HydrophobicContact CD1-CB 4.35Å; Y121-A138 HydrophobicContact CE1-CB 3.6Å; V130-A138 HydrophobicContact CG1-CB 4.37Å; I132-A138 HydrophobicContact CG1-CB 4.17Å |
| 139 | V | 51.5 | Low | 55.3 | Low | 10 Ų | 10 | 29.3 Ų | 29.3 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -70.3 | -92.7 | 161.8 | -162.7 | 0 | 0 | 0 | 0 | 103.2 | I131 K133 D137 I220 D223 F224 | I131-V139 HydrophobicContact CB-CB 4.04Å; I131-V139 HydrophobicContact CB-CG2 4.4Å; I131-V139 HydrophobicContact CG2-CB 4.18Å; I131-V139 HydrophobicContact CG2-CG2 4.02Å; I131-V139 CarbonylContact O-C 3.53Å; I131-V139 VanDerWaalsContact O-CA 3.3Å; I131-V139 WeakPolarHBondContact O-CA 3.26Å; I131-V139 VanDerWaalsContact O-CB 3.3Å; I131-V139 WeakPolarHBondContact O-CB 3.41Å; I131-V139 PolarHBondContact O-N 2.82Å; K133-V139 HydrophobicContact CB-CG2 4.32Å; K133-V139 HydrophobicContact CD-CG2 4.13Å; K133-V139 HydrophobicContact CG-CG2 3.22Å; D137-V139 PolarHBondContact O-N 3.27Å; V139-I220 HydrophobicContact CB-CG2 3.99Å; V139-I220 HydrophobicContact CG1-CG2 3.43Å; V139-I220 VanDerWaalsContact CG1-CG2 3.43Å; V139-I220 VanDerWaalsContact CG1-O 3.28Å; V139-I220 WeakPolarHBondContact CG1-O 3.47Å; V139-I220 WeakPolarHBondContact O-CG2 3.15Å; V139-D223 HydrophobicContact CG1-CB 3.87Å; V139-F224 HydrophobicContact CG1-CB 3.73Å | ||
| 140 | T | 47.9 | Very low | 54.2 | Low | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -115.6 | 158 | -161 | -179.3 | 0 | 0 | 0 | 0 | 117.1 | V130 I131 N142 A143 I220 | V130-T140 WeakPolarHBondContact CA-O 3.4Å; V130-T140 WeakPolarHBondContact CB-O 3.45Å; V130-T140 VanDerWaalsContact CG1-O 3.23Å; V130-T140 WeakPolarHBondContact CG1-O 3.25Å; I131-T140 HydrophobicContact CB-CG2 3.82Å; I131-T140 HydrophobicContact CG1-CG2 3.61Å; I131-T140 PolarHBondContact N-O 3.39Å; I131-T140 PolarHBondContact O-N 2.92Å; T140-N142 PolarHBondContact OG1-N 2.8Å; T140-A143 HydrophobicContact CG2-CB 3.66Å; T140-I220 HydrophobicContact CG2-CG2 4.2Å | ||
| 141 | K | 51.7 | Low | 53.3 | Low | 81 Ų | 81 | 33.6 Ų | 33.6 | 35% | 0.352 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -104.3 | -6.7 | 168.7 | -74 | -170.1 | -175.3 | -165.9 | 0 | 113.1 | Y121 M128 L129 | Y121-K141 WeakPolarHBondContact O-CE 3.25Å; Y121-K141 PolarHBondContact O-NZ 3.47Å; M128-K141 HydrophobicContact CE-CB 3.53Å; M128-K141 HydrophobicContact CE-CD 3.96Å; M128-K141 HydrophobicContact CE-CG 3.64Å; M128-K141 WeakPolarHBondContact CE-O 3.49Å; M128-K141 WeakPolarHBondContact CG-O 3.44Å; L129-K141 CarbonylContact O-C 3.5Å |
| 142 | N | 54.8 | Low | 52.3 | Low | 38 Ų | 38 | 37.4 Ų | 37.4 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | trans | -120.3 | 15.1 | -167.1 | -69.2 | -32.3 | 0 | 0 | 0 | 114.1 | T140 R144 S145 I213 T217 | T140-N142 PolarHBondContact OG1-N 2.8Å; N142-R144 PolarHBondContact O-N 3.04Å; N142-S145 PolarHBondContact O-N 2.95Å; N142-S145 VanDerWaalsContact O-N 3.15Å; N142-I213 PolarHBondContact ND2-O 3.02Å; N142-T217 HydrophobicContact CB-CG2 3.52Å; N142-T217 WeakPolarHBondContact CB-OG1 3.37Å; N142-T217 PolarHBondContact ND2-N 3.04Å; N142-T217 PolarHBondContact ND2-OG1 2.87Å | ||
| 143 | A | 57.7 | Low | 51.4 | Low | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.033 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -10.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L129 I131 T140 S145 D146 V147 | L129-A143 HydrophobicContact CB-CB 3.73Å; L129-A143 HydrophobicContact CD2-CB 3.64Å; L129-A143 HydrophobicContact CG-CB 3.74Å; L129-A143 WeakPolarHBondContact O-CB 3.46Å; L129-A143 PolarHBondContact O-N 2.96Å; L129-A143 VanDerWaalsContact O-N 3.16Å; I131-A143 HydrophobicContact CD1-CB 4.01Å; I131-A143 HydrophobicContact CG1-CB 3.68Å; T140-A143 HydrophobicContact CG2-CB 3.66Å; A143-S145 VanDerWaalsContact C-N 3.32Å; A143-S145 PolarHBondContact O-N 3.28Å; A143-D146 WeakPolarHBondContact CA-OD2 3.4Å; A143-D146 PolarHBondContact O-N 3.23Å; A143-V147 PolarHBondContact O-N 2.83Å |
| 144 | R | 54.9 | Low | 50.6 | Low | 58 Ų | 58 | 45.8 Ų | 45.8 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 172.3 | 174.9 | -161.1 | 170.5 | 55.5 | -19 | 111.1 | P59 F63 P127 N142 D146 V147 M148 | P59-R144 PolarHBondContact O-NH1 2.73Å; P59-R144 PolarHBondContact O-NH2 3.45Å; F63-R144 HydrophobicContact CD1-CG 4.31Å; F63-R144 HydrophobicContact CD2-CG 4.13Å; F63-R144 HydrophobicContact CE1-CB 4.41Å; F63-R144 HydrophobicContact CE1-CG 4.31Å; F63-R144 HydrophobicContact CE2-CB 4.41Å; F63-R144 HydrophobicContact CE2-CG 4.03Å; F63-R144 WeakPolarHBondContact CE2-O 3.43Å; F63-R144 HydrophobicContact CG-CG 4.22Å; F63-R144 HydrophobicContact CZ-CB 4.16Å; F63-R144 HydrophobicContact CZ-CG 4.16Å; P127-R144 VanDerWaalsContact CD-CZ 3.43Å; P127-R144 HydrophobicContact CG-CG 4.2Å; P127-R144 WeakPolarHBondContact O-CD 3.45Å; N142-R144 PolarHBondContact O-N 3.04Å; R144-D146 VanDerWaalsContact C-N 3.25Å; R144-D146 PolarHBondContact O-N 3.2Å; R144-V147 PolarHBondContact O-N 3.46Å; R144-M148 HydrophobicContact CG-CG 4.38Å; R144-M148 WeakPolarHBondContact O-CG 3.48Å; R144-M148 PolarHBondContact O-N 3.37Å |
| 145 | S | 57.6 | Low | 49.4 | Very low | 70 Ų | 70 | 51 Ų | 51 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | -177.3 | -61.9 | 0 | 0 | 0 | 0 | 111 | N142 A143 V147 M148 G149 | N142-S145 PolarHBondContact O-N 2.95Å; N142-S145 VanDerWaalsContact O-N 3.15Å; A143-S145 VanDerWaalsContact C-N 3.32Å; A143-S145 PolarHBondContact O-N 3.28Å; S145-V147 VanDerWaalsContact C-N 3.35Å; S145-V147 PolarHBondContact O-N 3.42Å; S145-M148 PolarHBondContact O-N 3.19Å; S145-G149 PolarHBondContact O-N 3.36Å |
| 146 | D | 55.7 | Low | 48.9 | Very low | 18 Ų | 18 | 54.4 Ų | 54.4 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.5 | -35.5 | -177.2 | -51.4 | -26.9 | 0 | 0 | 0 | 112.1 | A143 R144 Y205 L221 | A143-D146 WeakPolarHBondContact CA-OD2 3.4Å; A143-D146 PolarHBondContact O-N 3.23Å; R144-D146 VanDerWaalsContact C-N 3.25Å; R144-D146 PolarHBondContact O-N 3.2Å; D146-Y205 WeakPolarHBondContact OD1-CD2 3.16Å; D146-L221 HydrophobicContact CB-CD1 4.17Å; D146-L221 WeakPolarHBondContact OD2-CD1 3.37Å |
| 147 | V | 57.2 | Low | 48.3 | Very low | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.5 | -38.3 | 177.1 | 167.6 | 0 | 0 | 0 | 0 | 111.4 | F63 V66 L67 L129 A143 R144 S145 G149 Q150 | F63-V147 HydrophobicContact CD2-CG1 4.14Å; F63-V147 HydrophobicContact CE2-CB 3.35Å; F63-V147 HydrophobicContact CE2-CG1 3.27Å; F63-V147 HydrophobicContact CE2-CG2 4.5Å; F63-V147 HydrophobicContact CZ-CB 3.57Å; F63-V147 HydrophobicContact CZ-CG1 3.6Å; F63-V147 HydrophobicContact CZ-CG2 4.28Å; V66-V147 HydrophobicContact CB-CG1 4.06Å; V66-V147 HydrophobicContact CG1-CG1 3.65Å; V66-V147 WeakPolarHBondContact CG1-O 3.29Å; L67-V147 HydrophobicContact CB-CG1 4.23Å; L67-V147 HydrophobicContact CD1-CG1 4.39Å; L67-V147 HydrophobicContact CD1-CG2 4.33Å; L129-V147 HydrophobicContact CD2-CG2 4.09Å; A143-V147 PolarHBondContact O-N 2.83Å; R144-V147 PolarHBondContact O-N 3.46Å; S145-V147 VanDerWaalsContact C-N 3.35Å; S145-V147 PolarHBondContact O-N 3.42Å; V147-G149 PolarHBondContact O-N 3.26Å; V147-Q150 WeakPolarHBondContact O-CB 3.28Å; V147-Q150 PolarHBondContact O-N 3.45Å; V147-Q150 VanDerWaalsContact O-N 3.07Å |
| 148 | M | 55.7 | Low | 47.6 | Very low | 69 Ų | 69 | 62.1 Ų | 62.1 | 34% | 0.34 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.8 | -29.3 | 177.9 | -80.8 | -63.3 | -53.7 | 0 | 0 | 113.6 | F63 V66 R144 S145 Q150 A151 | F63-M148 HydrophobicContact CB-SD 3.86Å; F63-M148 HydrophobicContact CD2-CG 3.48Å; F63-M148 VanDerWaalsContact CD2-CG 3.48Å; F63-M148 HydrophobicContact CD2-SD 3.47Å; F63-M148 WeakPolarHBondContact CD2-SD 3.5Å; F63-M148 HydrophobicContact CE2-CG 3.95Å; F63-M148 HydrophobicContact CE2-SD 4.44Å; F63-M148 HydrophobicContact CG-CG 4.44Å; F63-M148 HydrophobicContact CG-SD 4.15Å; V66-M148 HydrophobicContact CG2-SD 4.35Å; R144-M148 HydrophobicContact CG-CG 4.38Å; R144-M148 WeakPolarHBondContact O-CG 3.48Å; R144-M148 PolarHBondContact O-N 3.37Å; S145-M148 PolarHBondContact O-N 3.19Å; M148-Q150 PolarHBondContact O-N 2.82Å; M148-Q150 VanDerWaalsContact O-N 3.11Å; M148-A151 PolarHBondContact O-N 2.89Å |
| 149 | G | 49.2 | Very low | 46.7 | Very low | 10 Ų | 10 | 68.4 Ų | 68.4 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S145 V147 | S145-G149 PolarHBondContact O-N 3.36Å; V147-G149 PolarHBondContact O-N 3.26Å |
| 150 | Q | 48.9 | Very low | 45.6 | Very low | 45 Ų | 45 | 73.6 Ų | 73.6 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -26 | -178.7 | -59.2 | -172.7 | 28 | 0 | 0 | 113.7 | V66 V147 M148 | V66-Q150 HydrophobicContact CG1-CB 4.48Å; V147-Q150 WeakPolarHBondContact O-CB 3.28Å; V147-Q150 PolarHBondContact O-N 3.45Å; V147-Q150 VanDerWaalsContact O-N 3.07Å; M148-Q150 PolarHBondContact O-N 2.82Å; M148-Q150 VanDerWaalsContact O-N 3.11Å |
| 151 | A | 47.5 | Very low | 44.9 | Very low | 46 Ų | 46 | 79.9 Ų | 79.9 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -90.2 | -6.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | V66 M148 N153 | V66-A151 HydrophobicContact CB-CB 3.83Å; V66-A151 HydrophobicContact CG1-CB 3.4Å; V66-A151 HydrophobicContact CG2-CB 3.16Å; M148-A151 PolarHBondContact O-N 2.89Å; A151-N153 PolarHBondContact O-N 3.47Å |
| 152 | S | 44 | Very low | 44 | Very low | 85 Ų | 85 | 87.9 Ų | 87.9 | 59% | 0.594 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -72.7 | 6.4 | -175.2 | 52.8 | 0 | 0 | 0 | 0 | 115 | ||
| 153 | N | 40.8 | Very low | 42.9 | Very low | 107 Ų | 107 | 87.1 Ų | 87.1 | 57% | 0.572 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -129.3 | 74.1 | -177.7 | -70.9 | -23 | 0 | 0 | 0 | 112.6 | A151 | A151-N153 PolarHBondContact O-N 3.47Š|
| 154 | S | 40 | Very low | 41.5 | Very low | 112 Ų | 112 | 91.3 Ų | 91.3 | 78% | 0.783 | 51% | 0.514 | S | S | * | . | trans | 172.4 | 127.5 | 142.2 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 155 | T | 30.8 | Very low | 40.3 | Very low | 150 Ų | 150 | 95.6 Ų | 95.6 | 92% | 0.92 | 54% | 0.541 | S | S | * | . | trans | -110.9 | 89.2 | 170.6 | 24.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 156 | D | 37.3 | Very low | 38.9 | Very low | 117 Ų | 117 | 93.4 Ų | 93.4 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | trans | 171.3 | 106.9 | 151.5 | -173.7 | -4.3 | 0 | 0 | 0 | 109.1 | S158 | D156-S158 PolarHBondContact OD1-N 2.82Å; D156-S158 PolarHBondContact OD1-OG 3.07Å | ||
| 157 | T | 33.8 | Very low | 37.7 | Very low | 145 Ų | 145 | 94.6 Ų | 94.6 | 89% | 0.89 | 54% | 0.539 | S | S | * | . | trans | -97.2 | 16.3 | -168 | 45.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 158 | S | 31.7 | Very low | 36.4 | Very low | 83 Ų | 83 | 95 Ų | 95 | 58% | 0.58 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -92.4 | -4.9 | -164.6 | 62 | 0 | 0 | 0 | 0 | 117.6 | D156 | D156-S158 PolarHBondContact OD1-N 2.82Å; D156-S158 PolarHBondContact OD1-OG 3.07Å |
| 159 | K | 31.4 | Very low | 35.3 | Very low | 179 Ų | 179 | 96.7 Ų | 96.7 | 78% | 0.778 | 55% | 0.551 | S | S | * | * | trans | -157.9 | 72.1 | -172.3 | -64.2 | -176.1 | -177 | 171.6 | 0 | 116.9 | ||||
| 160 | L | 30.1 | Very low | 35 | Very low | 119 Ų | 119 | 102.4 Ų | 102.4 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | trans | -142.1 | 89.4 | 177.5 | -75.8 | 101.4 | 0 | 0 | 0 | 115.7 | A163 | L160-A163 HydrophobicContact CB-CB 3.57Å; L160-A163 HydrophobicContact CD2-CB 3.05Å; L160-A163 HydrophobicContact CG-CB 3.69Å | ||
| 161 | P | 31.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 102 Ų | 102 | 87% | 0.87 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -123.9 | 72.3 | 142.5 | 25.2 | -7.1 | 0 | 0 | 0 | 110.9 | ||
| 162 | R | 32.2 | Very low | 35.6 | Very low | 248 Ų | 248 | 99.9 Ų | 99.9 | 94% | 0.936 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -166.9 | 19.6 | 158.9 | -130.7 | 174.2 | 174 | 151.7 | -1.5 | 111.9 | ||
| 163 | A | 31.9 | Very low | 36.7 | Very low | 22 Ų | 22 | 98.6 Ų | 98.6 | 18% | 0.182 | 55% | 0.545 | C | S | . | . | trans | -97.2 | -25.5 | -148.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L160 L165 G166 C167 | L160-A163 HydrophobicContact CB-CB 3.57Å; L160-A163 HydrophobicContact CD2-CB 3.05Å; L160-A163 HydrophobicContact CG-CB 3.69Å; A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 PolarHBondContact O-N 3.49Å; A163-G166 CarbonylContact O-C 3.56Å; A163-G166 WeakPolarHBondContact O-CA 3.49Å; A163-G166 PolarHBondContact O-N 2.75Å; A163-C167 PolarHBondContact O-N 3.29Å | ||
| 164 | V | 29.9 | Very low | 37.8 | Very low | 92 Ų | 92 | 96.6 Ų | 96.6 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.1 | -26.9 | -164.1 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | E73 | E73-V164 HydrophobicContact CG-CG1 3.9Å |
| 165 | L | 29.8 | Very low | 39.3 | Very low | 148 Ų | 148 | 92.5 Ų | 92.5 | 78% | 0.775 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.5 | -30.2 | 164.9 | -93.4 | 127.4 | 0 | 0 | 0 | 113 | A163 M169 | A163-L165 VanDerWaalsContact C-N 3.34Å; A163-L165 PolarHBondContact O-N 3.49Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 2.91Å |
| 166 | G | 27.6 | Very low | 41.6 | Very low | 24 Ų | 24 | 92.9 Ų | 92.9 | 25% | 0.247 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A163 M169 Q170 | A163-G166 CarbonylContact O-C 3.56Å; A163-G166 WeakPolarHBondContact O-CA 3.49Å; A163-G166 PolarHBondContact O-N 2.75Å; G166-M169 PolarHBondContact O-N 3.08Å; G166-Q170 WeakPolarHBondContact O-CB 3.07Å; G166-Q170 VanDerWaalsContact O-CG 3.24Å; G166-Q170 WeakPolarHBondContact O-CG 3.41Å; G166-Q170 PolarHBondContact O-N 3.38Å |
| 167 | C | 29.9 | Very low | 43.7 | Very low | 44 Ų | 44 | 91.2 Ų | 91.2 | 30% | 0.297 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70 | -44.9 | -177.8 | -155.5 | 0 | 0 | 0 | 0 | 111.8 | A163 M169 Q170 N171 | A163-C167 PolarHBondContact O-N 3.29Å; C167-M169 PolarHBondContact O-N 2.71Å; C167-Q170 PolarHBondContact O-N 3.2Å; C167-N171 WeakPolarHBondContact O-CB 3.34Å; C167-N171 PolarHBondContact O-N 3.16Å; C167-N171 PolarHBondContact O-ND2 3.22Å |
| 168 | A | 31 | Very low | 46.2 | Very low | 16 Ų | 16 | 85.3 Ų | 85.3 | 13% | 0.132 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.1 | -28.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A172 | A168-A172 PolarHBondContact O-N 3.42Å |
| 169 | M | 32 | Very low | 48.9 | Very low | 104 Ų | 104 | 85.8 Ų | 85.8 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.7 | -37.3 | 171.3 | -70.4 | -177.1 | 68.8 | 0 | 0 | 112.6 | L165 G166 C167 T173 | L165-M169 WeakPolarHBondContact O-CG 3.4Å; L165-M169 PolarHBondContact O-N 2.91Å; G166-M169 PolarHBondContact O-N 3.08Å; C167-M169 PolarHBondContact O-N 2.71Å; M169-T173 PolarHBondContact O-N 2.77Å; M169-T173 PolarHBondContact O-OG1 3.46Å |
| 170 | Q | 43.6 | Very low | 51.8 | Low | 130 Ų | 130 | 77.2 Ų | 77.2 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68 | -41.1 | 176.1 | -74.7 | 172.4 | 34.8 | 0 | 0 | 111.4 | G166 C167 A172 T173 A174 | G166-Q170 WeakPolarHBondContact O-CB 3.07Å; G166-Q170 VanDerWaalsContact O-CG 3.24Å; G166-Q170 WeakPolarHBondContact O-CG 3.41Å; G166-Q170 PolarHBondContact O-N 3.38Å; C167-Q170 PolarHBondContact O-N 3.2Å; Q170-A172 PolarHBondContact O-N 2.91Å; Q170-T173 PolarHBondContact O-N 3.23Å; Q170-A174 PolarHBondContact O-N 2.85Å |
| 171 | N | 49.7 | Very low | 54.8 | Low | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.203 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.8 | -51.8 | 176 | -70 | -15.3 | 0 | 0 | 0 | 111 | C167 T173 A174 F175 | C167-N171 WeakPolarHBondContact O-CB 3.34Å; C167-N171 PolarHBondContact O-N 3.16Å; C167-N171 PolarHBondContact O-ND2 3.22Å; N171-T173 VanDerWaalsContact C-N 3.28Å; N171-T173 PolarHBondContact O-N 3.49Å; N171-A174 WeakPolarHBondContact O-CB 3.38Å; N171-A174 PolarHBondContact O-N 3.49Å; N171-F175 VanDerWaalsContact O-CD2 3.22Å; N171-F175 WeakPolarHBondContact O-CD2 3.18Å; N171-F175 PolarHBondContact O-N 3.49Å |
| 172 | A | 58.1 | Low | 57.7 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.4 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | A168 Q170 A174 F175 E194 L197 R198 | A168-A172 PolarHBondContact O-N 3.42Å; Q170-A172 PolarHBondContact O-N 2.91Å; A172-A174 VanDerWaalsContact C-N 3.29Å; A172-A174 PolarHBondContact O-N 2.05Å; A172-F175 PolarHBondContact O-N 3.39Å; A172-E194 WeakPolarHBondContact CB-O 2.98Å; A172-E194 WeakPolarHBondContact O-CA 3.27Å; A172-L197 HydrophobicContact CB-CB 4.45Å; A172-R198 HydrophobicContact CB-CB 4.26Å |
| 173 | T | 66.5 | Low | 60.5 | Low | 58 Ų | 58 | 55.5 Ų | 55.5 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.2 | -30.6 | 178 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | M169 Q170 N171 F175 R176 | M169-T173 PolarHBondContact O-N 2.77Å; M169-T173 PolarHBondContact O-OG1 3.46Å; Q170-T173 PolarHBondContact O-N 3.23Å; N171-T173 VanDerWaalsContact C-N 3.28Å; N171-T173 PolarHBondContact O-N 3.49Å; T173-F175 VanDerWaalsContact C-N 3.26Å; T173-F175 PolarHBondContact O-N 3.36Å; T173-R176 WeakPolarHBondContact O-CB 3.2Å; T173-R176 PolarHBondContact O-N 2.94Å; T173-R176 VanDerWaalsContact O-N 3.11Å |
| 174 | A | 64.6 | Low | 63.1 | Low | 66 Ų | 66 | 56.6 Ų | 56.6 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.7 | -26.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q170 N171 A172 R176 | Q170-A174 PolarHBondContact O-N 2.85Å; N171-A174 WeakPolarHBondContact O-CB 3.38Å; N171-A174 PolarHBondContact O-N 3.49Å; A172-A174 VanDerWaalsContact C-N 3.29Å; A172-A174 PolarHBondContact O-N 2.05Å; A174-R176 VanDerWaalsContact C-N 3.32Å |
| 175 | F | 71.9 | Confident | 65.5 | Low | 26 Ų | 26 | 57.7 Ų | 57.7 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 10.2 | 173.7 | -68.1 | -89.8 | 0 | 0 | 0 | 113.5 | N171 A172 T173 G177 T178 A193 L197 V202 L204 V236 | N171-F175 VanDerWaalsContact O-CD2 3.22Å; N171-F175 WeakPolarHBondContact O-CD2 3.18Å; N171-F175 PolarHBondContact O-N 3.49Å; A172-F175 PolarHBondContact O-N 3.39Å; T173-F175 VanDerWaalsContact C-N 3.26Å; T173-F175 PolarHBondContact O-N 3.36Å; F175-G177 PolarHBondContact O-N 2.82Å; F175-G177 VanDerWaalsContact O-N 3.1Å; F175-T178 HydrophobicContact CD1-CG2 4.32Å; F175-T178 WeakPolarHBondContact O-CB 3.29Å; F175-T178 PolarHBondContact O-N 3.22Å; F175-T178 PolarHBondContact O-OG1 3.19Å; F175-A193 HydrophobicContact CB-CB 3.75Å; F175-A193 WeakPolarHBondContact O-CB 3.22Å; F175-L197 HydrophobicContact CB-CD1 3.96Å; F175-L197 HydrophobicContact CD1-CD1 3.98Å; F175-L197 HydrophobicContact CD2-CD1 3.42Å; F175-L197 VanDerWaalsContact CD2-CD1 3.42Å; F175-L197 HydrophobicContact CE1-CD1 4.32Å; F175-L197 HydrophobicContact CE2-CD1 3.84Å; F175-L197 HydrophobicContact CG-CD1 3.51Å; F175-L197 HydrophobicContact CZ-CD1 4.26Å; F175-V202 HydrophobicContact CE2-CB 4.42Å; F175-V202 HydrophobicContact CE2-CG1 3.85Å; F175-V202 HydrophobicContact CZ-CG1 3.85Å; F175-L204 HydrophobicContact CE1-CD2 4.05Å; F175-L204 HydrophobicContact CZ-CD2 3.65Å; F175-V236 HydrophobicContact CE1-CB 4.47Å; F175-V236 HydrophobicContact CE1-CG1 4.05Å; F175-V236 HydrophobicContact CE1-CG2 4.34Å; F175-V236 HydrophobicContact CZ-CG2 4.38Å |
| 176 | R | 78.4 | Confident | 67.8 | Low | 157 Ų | 157 | 58.2 Ų | 58.2 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 119.6 | 178.4 | 179.2 | 179.7 | -70.2 | 162.5 | 3.3 | 110.1 | T173 A174 T178 E194 | T173-R176 WeakPolarHBondContact O-CB 3.2Å; T173-R176 PolarHBondContact O-N 2.94Å; T173-R176 VanDerWaalsContact O-N 3.11Å; A174-R176 VanDerWaalsContact C-N 3.32Å; R176-T178 VanDerWaalsContact C-N 3.32Å; R176-E194 WeakPolarHBondContact CG-OE2 3.47Å; R176-E194 IonicContact CZ-OE1 3.83Å; R176-E194 IonicContact CZ-OE2 3.72Å; R176-E194 IonicContact NE-OE1 3.69Å; R176-E194 IonicContact NE-OE2 3.64Å; R176-E194 PolarHBondContact NE-OE2 3.46Å; R176-E194 IonicContact NH2-OE1 2.73Å; R176-E194 PolarHBondContact NH2-OE1 3.26Å; R176-E194 IonicContact NH2-OE2 2.78Å; R176-E194 PolarHBondContact NH2-OE2 3.36Å |
| 177 | G | 82.3 | Confident | 70.7 | Confident | 82 Ų | 82 | 59 Ų | 59 | 85% | 0.845 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | -7.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F175 H179 | F175-G177 PolarHBondContact O-N 2.82Å; F175-G177 VanDerWaalsContact O-N 3.1Å; G177-H179 PolarHBondContact O-N 3.16Å |
| 178 | T | 85 | Confident | 73.6 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | trans | -65.3 | 131.8 | 172.9 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | F175 R176 L180 I261 A267 | F175-T178 HydrophobicContact CD1-CG2 4.32Å; F175-T178 WeakPolarHBondContact O-CB 3.29Å; F175-T178 PolarHBondContact O-N 3.22Å; F175-T178 PolarHBondContact O-OG1 3.19Å; R176-T178 VanDerWaalsContact C-N 3.32Å; T178-L180 PolarHBondContact O-N 3.42Å; T178-L180 VanDerWaalsContact O-N 3.16Å; T178-I261 HydrophobicContact CG2-CD1 3.81Å; T178-I261 HydrophobicContact CG2-CG1 3.99Å; T178-I261 HydrophobicContact CG2-CG2 4.23Å; T178-A267 HydrophobicContact CG2-CB 3.78Å | ||
| 179 | H | 90.4 | Very high | 76.5 | Confident | 93 Ų | 93 | 65 Ų | 65 | 43% | 0.431 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 106.7 | 169.1 | -167.2 | -170.6 | 0 | 0 | 0 | 108.6 | G177 P262 D265 | G177-H179 PolarHBondContact O-N 3.16Å; H179-P262 WeakPolarHBondContact O-CD 3.23Å; H179-D265 WeakPolarHBondContact CB-OD2 3.31Å; H179-D265 PolarHBondContact N-OD2 3.04Å |
| 180 | L | 90.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.2 | 179.4 | -166.7 | 72.6 | 0 | 0 | 0 | 109.9 | T178 V191 A193 Y196 L197 V236 I261 | T178-L180 PolarHBondContact O-N 3.42Å; T178-L180 VanDerWaalsContact O-N 3.16Å; L180-V191 HydrophobicContact CB-CG2 4Å; L180-V191 HydrophobicContact CD2-CG2 3.81Å; L180-V191 HydrophobicContact CG-CG2 3.97Å; L180-V191 PolarHBondContact O-N 3.16Å; L180-A193 HydrophobicContact CB-CB 3.7Å; L180-A193 HydrophobicContact CD2-CB 3.91Å; L180-A193 HydrophobicContact CG-CB 4.41Å; L180-Y196 HydrophobicContact CD2-CD1 4.11Å; L180-L197 HydrophobicContact CD2-CD1 4Å; L180-L197 HydrophobicContact CD2-CD2 4.18Å; L180-L197 HydrophobicContact CD2-CG 4.09Å; L180-V236 HydrophobicContact CD1-CG1 3.72Å; L180-V236 HydrophobicContact CD1-CG2 4.08Å; L180-I261 HydrophobicContact CD1-CG1 4.12Å |
| 181 | M | 93.7 | Very high | 81.8 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 140.4 | 172.3 | -62.7 | -63.2 | -74 | 0 | 0 | 108.9 | T188 K189 P190 S259 F260 P262 | M181-T188 VanDerWaalsContact CE-OG1 3.27Å; M181-T188 WeakPolarHBondContact CE-OG1 3.15Å; M181-K189 CarbonylContact C-O 3.4Å; M181-K189 WeakPolarHBondContact CA-O 2.95Å; M181-P190 VanDerWaalsContact SD-CA 3.57Å; M181-P190 HydrophobicContact SD-CB 3.85Å; M181-S259 CarbonylContact O-C 3.59Å; M181-S259 WeakPolarHBondContact O-CA 3.45Å; M181-S259 WeakPolarHBondContact O-CB 3.08Å; M181-F260 HydrophobicContact CB-CD1 3.77Å; M181-F260 HydrophobicContact CB-CD2 4.2Å; M181-F260 HydrophobicContact CB-CE1 3.33Å; M181-F260 HydrophobicContact CB-CE2 3.79Å; M181-F260 HydrophobicContact CB-CG 4.19Å; M181-F260 HydrophobicContact CB-CZ 3.34Å; M181-F260 HydrophobicContact CG-CE1 4.32Å; M181-F260 HydrophobicContact CG-CE2 4.01Å; M181-F260 HydrophobicContact CG-CZ 3.83Å; M181-F260 PolarHBondContact N-O 3.47Å; M181-F260 PolarHBondContact O-N 2.94Å; M181-P262 HydrophobicContact CG-CG 3.47Å; M181-P262 VanDerWaalsContact CG-CG 3.47Å |
| 182 | K | 92.6 | Very high | 83.9 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.2 | 172.3 | 177.3 | 58.2 | 174.3 | -172.4 | 0 | 108.5 | V184 T188 K189 V191 Y196 Y225 D230 E234 D257 | K182-V184 HydrophobicContact CG-CG1 4.3Å; K182-T188 WeakPolarHBondContact O-CA 3.44Å; K182-K189 HydrophobicContact CB-CG 4.33Å; K182-K189 PolarHBondContact N-O 3.47Å; K182-K189 PolarHBondContact O-N 2.92Å; K182-V191 HydrophobicContact CB-CG1 3.75Å; K182-V191 HydrophobicContact CB-CG2 4.24Å; K182-Y196 HydrophobicContact CD-CE1 4.31Å; K182-Y196 WeakPolarHBondContact CD-OH 3.48Å; K182-Y196 WeakPolarHBondContact CE-OH 3.26Å; K182-Y196 PolarHBondContact NZ-OH 3.37Å; K182-Y196 VanDerWaalsContact NZ-OH 3.15Å; K182-Y225 PolarHBondContact NZ-OH 2.77Å; K182-D230 IonicContact NZ-OD2 2.78Å; K182-D230 PolarHBondContact NZ-OD2 3.39Å; K182-E234 IonicContact NZ-OE1 2.98Å; K182-E234 IonicContact NZ-OE2 3.69Å; K182-E234 PolarHBondContact NZ-OE2 2.71Å; K182-D257 WeakPolarHBondContact CE-O 3.41Å; K182-D257 PolarHBondContact NZ-O 3.11Å |
| 183 | V | 90.2 | Very high | 85.2 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.7 | 167.9 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | T188 W258 F260 | V183-T188 HydrophobicContact CG2-CG2 4.36Å; V183-W258 WeakPolarHBondContact CB-O 3.24Å; V183-W258 WeakPolarHBondContact CG2-O 3.35Å; V183-W258 PolarHBondContact N-O 3.06Å; V183-W258 VanDerWaalsContact N-O 3.13Å; V183-F260 HydrophobicContact CG2-CD1 4.21Å; V183-F260 HydrophobicContact CG2-CE1 4.19Å |
| 184 | V | 87.4 | Confident | 86 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 165.4 | 174.8 | -66.9 | 0 | 0 | 0 | 0 | 108.6 | K182 N186 G187 K189 | K182-V184 HydrophobicContact CG-CG1 4.3Å; V184-N186 PolarHBondContact O-N 3.48Å; V184-G187 PolarHBondContact N-O 2.89Å; V184-G187 PolarHBondContact O-N 3.03Å; V184-K189 HydrophobicContact CG1-CD 3.78Å; V184-K189 HydrophobicContact CG1-CG 4Å; V184-K189 HydrophobicContact CG2-CG 4.47Å |
| 185 | S | 80.9 | Confident | 87.2 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 80% | 0.804 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -24.5 | -174.1 | 54.8 | 0 | 0 | 0 | 0 | 116.1 | ||
| 186 | N | 78.4 | Confident | 88 | Confident | 160 Ų | 160 | 63.8 Ų | 63.8 | 86% | 0.856 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 28.1 | -178.9 | -64.7 | -19.3 | 0 | 0 | 0 | 113.3 | V184 | V184-N186 PolarHBondContact O-N 3.48Š|
| 187 | G | 87.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 56.3 Ų | 56.3 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.1 | -129.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V184 | V184-G187 PolarHBondContact N-O 2.89Å; V184-G187 PolarHBondContact O-N 3.03Å |
| 188 | T | 90.8 | Very high | 88 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | M181 K182 V183 F260 | M181-T188 VanDerWaalsContact CE-OG1 3.27Å; M181-T188 WeakPolarHBondContact CE-OG1 3.15Å; K182-T188 WeakPolarHBondContact O-CA 3.44Å; V183-T188 HydrophobicContact CG2-CG2 4.36Å; T188-F260 HydrophobicContact CG2-CE1 3.59Å; T188-F260 HydrophobicContact CG2-CZ 3.85Å |
| 189 | K | 92.9 | Very high | 87.2 | Confident | 106 Ų | 106 | 59.1 Ų | 59.1 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 141.6 | 173.9 | 69 | -179.3 | -177.5 | -175 | 0 | 110.6 | M181 K182 V184 V191 | M181-K189 CarbonylContact C-O 3.4Å; M181-K189 WeakPolarHBondContact CA-O 2.95Å; K182-K189 HydrophobicContact CB-CG 4.33Å; K182-K189 PolarHBondContact N-O 3.47Å; K182-K189 PolarHBondContact O-N 2.92Å; V184-K189 HydrophobicContact CG1-CD 3.78Å; V184-K189 HydrophobicContact CG1-CG 4Å; V184-K189 HydrophobicContact CG2-CG 4.47Å; K189-V191 HydrophobicContact CG-CG1 4.29Å |
| 190 | P | 94.4 | Very high | 86.3 | Confident | 92 Ų | 92 | 55.7 Ų | 55.7 | 60% | 0.597 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 142.3 | 169.7 | 28.2 | -33.5 | 0 | 0 | 0 | 110 | M181 | M181-P190 VanDerWaalsContact SD-CA 3.57Å; M181-P190 HydrophobicContact SD-CB 3.85Å |
| 191 | V | 92.7 | Very high | 85 | Confident | 27 Ų | 27 | 56.7 Ų | 56.7 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146 | 173.2 | -64.9 | 0 | 0 | 0 | 0 | 109.8 | L180 K182 K189 A193 Y196 | L180-V191 HydrophobicContact CB-CG2 4Å; L180-V191 HydrophobicContact CD2-CG2 3.81Å; L180-V191 HydrophobicContact CG-CG2 3.97Å; L180-V191 PolarHBondContact O-N 3.16Å; K182-V191 HydrophobicContact CB-CG1 3.75Å; K182-V191 HydrophobicContact CB-CG2 4.24Å; K189-V191 HydrophobicContact CG-CG1 4.29Å; V191-A193 PolarHBondContact O-N 2.92Å; V191-A193 VanDerWaalsContact O-N 3.07Å; V191-Y196 HydrophobicContact CB-CD2 4.5Å; V191-Y196 HydrophobicContact CB-CG 4.13Å; V191-Y196 HydrophobicContact CG1-CD2 4.45Å; V191-Y196 HydrophobicContact CG2-CD1 3.87Å; V191-Y196 HydrophobicContact CG2-CG 3.96Å |
| 192 | N | 93.1 | Very high | 83.7 | Confident | 102 Ų | 102 | 56 Ų | 56 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 106 | 170 | 179.3 | -82.5 | 0 | 0 | 0 | 108.3 | E194 T195 Y196 | N192-E194 PolarHBondContact O-N 3.48Å; N192-T195 PolarHBondContact O-N 3Å; N192-T195 VanDerWaalsContact O-N 3.16Å; N192-T195 VanDerWaalsContact OD1-CB 3.29Å; N192-T195 WeakPolarHBondContact OD1-CB 3.4Å; N192-T195 PolarHBondContact OD1-N 3.39Å; N192-T195 PolarHBondContact OD1-OG1 3.02Å; N192-Y196 WeakPolarHBondContact O-CB 3.05Å; N192-Y196 PolarHBondContact O-N 2.8Å |
| 193 | A | 85.5 | Confident | 82.3 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57 | -46.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F175 L180 V191 T195 Y196 L197 | F175-A193 HydrophobicContact CB-CB 3.75Å; F175-A193 WeakPolarHBondContact O-CB 3.22Å; L180-A193 HydrophobicContact CB-CB 3.7Å; L180-A193 HydrophobicContact CD2-CB 3.91Å; L180-A193 HydrophobicContact CG-CB 4.41Å; V191-A193 PolarHBondContact O-N 2.92Å; V191-A193 VanDerWaalsContact O-N 3.07Å; A193-T195 VanDerWaalsContact C-N 3.34Å; A193-T195 PolarHBondContact O-N 3.02Å; A193-Y196 PolarHBondContact O-N 2.85Å; A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.42Å; A193-L197 VanDerWaalsContact O-CG 3.28Å; A193-L197 WeakPolarHBondContact O-CG 3.18Å; A193-L197 PolarHBondContact O-N 3.01Å |
| 194 | E | 83.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 178.6 | 178.2 | 179.8 | 178.8 | 0 | 0 | 112.3 | A172 R176 N192 R198 | A172-E194 WeakPolarHBondContact CB-O 2.98Å; A172-E194 WeakPolarHBondContact O-CA 3.27Å; R176-E194 WeakPolarHBondContact CG-OE2 3.47Å; R176-E194 IonicContact CZ-OE1 3.83Å; R176-E194 IonicContact CZ-OE2 3.72Å; R176-E194 IonicContact NE-OE1 3.69Å; R176-E194 IonicContact NE-OE2 3.64Å; R176-E194 PolarHBondContact NE-OE2 3.46Å; R176-E194 IonicContact NH2-OE1 2.73Å; R176-E194 PolarHBondContact NH2-OE1 3.26Å; R176-E194 IonicContact NH2-OE2 2.78Å; R176-E194 PolarHBondContact NH2-OE2 3.36Å; N192-E194 PolarHBondContact O-N 3.48Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 PolarHBondContact O-N 3.19Å; E194-R198 IonicContact OE1-NH2 3.61Å; E194-R198 PolarHBondContact OE1-NH2 2.93Å |
| 195 | T | 88.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 56% | 0.564 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -75.6 | -40.5 | -179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | N192 A193 R198 | N192-T195 PolarHBondContact O-N 3Å; N192-T195 VanDerWaalsContact O-N 3.16Å; N192-T195 VanDerWaalsContact OD1-CB 3.29Å; N192-T195 WeakPolarHBondContact OD1-CB 3.4Å; N192-T195 PolarHBondContact OD1-N 3.39Å; N192-T195 PolarHBondContact OD1-OG1 3.02Å; A193-T195 VanDerWaalsContact C-N 3.34Å; A193-T195 PolarHBondContact O-N 3.02Å; T195-R198 WeakPolarHBondContact O-CB 3.37Å; T195-R198 PolarHBondContact O-N 3.11Å |
| 196 | Y | 89.2 | Confident | 80.6 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -38.9 | -174.8 | 179.8 | -108.2 | 0 | 0 | 0 | 113.2 | L180 K182 V191 N192 A193 R198 K200 E234 S259 | L180-Y196 HydrophobicContact CD2-CD1 4.11Å; K182-Y196 HydrophobicContact CD-CE1 4.31Å; K182-Y196 WeakPolarHBondContact CD-OH 3.48Å; K182-Y196 WeakPolarHBondContact CE-OH 3.26Å; K182-Y196 PolarHBondContact NZ-OH 3.37Å; K182-Y196 VanDerWaalsContact NZ-OH 3.15Å; V191-Y196 HydrophobicContact CB-CD2 4.5Å; V191-Y196 HydrophobicContact CB-CG 4.13Å; V191-Y196 HydrophobicContact CG1-CD2 4.45Å; V191-Y196 HydrophobicContact CG2-CD1 3.87Å; V191-Y196 HydrophobicContact CG2-CG 3.96Å; N192-Y196 WeakPolarHBondContact O-CB 3.05Å; N192-Y196 PolarHBondContact O-N 2.8Å; A193-Y196 PolarHBondContact O-N 2.85Å; Y196-R198 VanDerWaalsContact C-N 3.31Å; Y196-K200 VanDerWaalsContact CZ-NZ 3.32Å; Y196-K200 VanDerWaalsContact O-CE 3.27Å; Y196-K200 WeakPolarHBondContact O-CE 3.45Å; Y196-K200 PolarHBondContact OH-NZ 2.81Å; Y196-K200 VanDerWaalsContact OH-NZ 3.13Å; Y196-E234 HydrophobicContact CE1-CG 3.96Å; Y196-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y196-E234 VanDerWaalsContact CZ-OE2 3.23Å; Y196-E234 PolarHBondContact OH-OE2 3.44Å; Y196-S259 WeakPolarHBondContact CE1-OG 3.17Å |
| 197 | L | 80.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -85.3 | -5.5 | 180 | -59.6 | 177 | 0 | 0 | 0 | 112.8 | A172 F175 L180 A193 G199 K200 V202 E234 V236 | A172-L197 HydrophobicContact CB-CB 4.45Å; F175-L197 HydrophobicContact CB-CD1 3.96Å; F175-L197 HydrophobicContact CD1-CD1 3.98Å; F175-L197 HydrophobicContact CD2-CD1 3.42Å; F175-L197 VanDerWaalsContact CD2-CD1 3.42Å; F175-L197 HydrophobicContact CE1-CD1 4.32Å; F175-L197 HydrophobicContact CE2-CD1 3.84Å; F175-L197 HydrophobicContact CG-CD1 3.51Å; F175-L197 HydrophobicContact CZ-CD1 4.26Å; L180-L197 HydrophobicContact CD2-CD1 4Å; L180-L197 HydrophobicContact CD2-CD2 4.18Å; L180-L197 HydrophobicContact CD2-CG 4.09Å; A193-L197 VanDerWaalsContact O-CB 3.29Å; A193-L197 WeakPolarHBondContact O-CB 3.42Å; A193-L197 VanDerWaalsContact O-CG 3.28Å; A193-L197 WeakPolarHBondContact O-CG 3.18Å; A193-L197 PolarHBondContact O-N 3.01Å; L197-G199 PolarHBondContact O-N 2.84Å; L197-K200 PolarHBondContact O-N 3.07Å; L197-V202 HydrophobicContact CB-CG2 3.96Å; L197-V202 HydrophobicContact CD1-CG1 4.36Å; L197-V202 HydrophobicContact CD1-CG2 4.24Å; L197-V202 HydrophobicContact CD2-CG1 4.45Å; L197-V202 HydrophobicContact CD2-CG2 3.98Å; L197-V202 HydrophobicContact CG-CG2 4.28Å; L197-E234 HydrophobicContact CD2-CB 3.85Å; L197-E234 HydrophobicContact CD2-CG 3.53Å; L197-V236 HydrophobicContact CD1-CG2 4.22Å; L197-V236 HydrophobicContact CD2-CG2 4.21Å |
| 198 | R | 80.4 | Confident | 80.5 | Confident | 112 Ų | 112 | 44.4 Ų | 44.4 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 120.7 | -177.6 | -169.5 | 178.1 | -60.3 | -77 | -1.5 | 111.2 | A172 E194 T195 Y196 K200 | A172-R198 HydrophobicContact CB-CB 4.26Å; E194-R198 WeakPolarHBondContact O-CB 3.36Å; E194-R198 PolarHBondContact O-N 3.19Å; E194-R198 IonicContact OE1-NH2 3.61Å; E194-R198 PolarHBondContact OE1-NH2 2.93Å; T195-R198 WeakPolarHBondContact O-CB 3.37Å; T195-R198 PolarHBondContact O-N 3.11Å; Y196-R198 VanDerWaalsContact C-N 3.31Å; R198-K200 PolarHBondContact O-N 3.35Å |
| 199 | G | 68.2 | Low | 80.3 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 53% | 0.526 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L197 | L197-G199 PolarHBondContact O-N 2.84Š|
| 200 | K | 71.6 | Confident | 80 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 9% | 0.087 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -94 | 146.5 | 172 | -56.3 | -168.7 | -176.2 | -167.3 | 0 | 110.2 | Y196 L197 R198 D230 K232 E234 | Y196-K200 VanDerWaalsContact CZ-NZ 3.32Å; Y196-K200 VanDerWaalsContact O-CE 3.27Å; Y196-K200 WeakPolarHBondContact O-CE 3.45Å; Y196-K200 PolarHBondContact OH-NZ 2.81Å; Y196-K200 VanDerWaalsContact OH-NZ 3.13Å; L197-K200 PolarHBondContact O-N 3.07Å; R198-K200 PolarHBondContact O-N 3.35Å; K200-D230 WeakPolarHBondContact CE-O 3.49Å; K200-D230 PolarHBondContact NZ-O 2.95Å; K200-K232 WeakPolarHBondContact CA-O 3.48Å; K200-E234 HydrophobicContact CD-CB 3.84Å; K200-E234 IonicContact NZ-OE2 3.45Å |
| 201 | I | 62.9 | Low | 79.1 | Confident | 22 Ų | 22 | 42.5 Ų | 42.5 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 129.8 | 159.6 | -58.2 | 171.3 | 0 | 0 | 0 | 106.6 | E73 V74 K232 F233 E234 | E73-I201 HydrophobicContact CB-CD1 3.62Å; E73-I201 HydrophobicContact CB-CG1 4.43Å; E73-I201 WeakPolarHBondContact OE2-CG1 3.44Å; V74-I201 HydrophobicContact CG2-CD1 4.25Å; I201-K232 PolarHBondContact N-O 3.06Å; I201-F233 HydrophobicContact CB-CD2 4.05Å; I201-F233 HydrophobicContact CG2-CD2 3.95Å; I201-F233 HydrophobicContact CG2-CE2 4.31Å; I201-F233 CarbonylContact O-C 3.54Å; I201-F233 WeakPolarHBondContact O-CA 3.1Å; I201-E234 PolarHBondContact O-N 3.18Å |
| 202 | V | 66.3 | Low | 78.3 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 113.6 | -175.4 | -175 | 0 | 0 | 0 | 0 | 109.8 | F175 L197 E234 V236 | F175-V202 HydrophobicContact CE2-CB 4.42Å; F175-V202 HydrophobicContact CE2-CG1 3.85Å; F175-V202 HydrophobicContact CZ-CG1 3.85Å; L197-V202 HydrophobicContact CB-CG2 3.96Å; L197-V202 HydrophobicContact CD1-CG1 4.36Å; L197-V202 HydrophobicContact CD1-CG2 4.24Å; L197-V202 HydrophobicContact CD2-CG1 4.45Å; L197-V202 HydrophobicContact CD2-CG2 3.98Å; L197-V202 HydrophobicContact CG-CG2 4.28Å; V202-E234 CarbonylContact C-O 3.48Å; V202-E234 WeakPolarHBondContact CA-O 3.14Å; V202-V236 HydrophobicContact CG1-CB 4.29Å; V202-V236 HydrophobicContact CG1-CG2 3.63Å |
| 203 | G | 64.1 | Low | 76.9 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E234 I235 V236 | G203-E234 PolarHBondContact N-O 3.41Å; G203-I235 CarbonylContact O-C 3.5Å; G203-I235 WeakPolarHBondContact O-CA 3.16Å; G203-V236 PolarHBondContact O-N 3.4Å |
| 204 | L | 69.2 | Low | 76.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121 | 168.8 | -65.7 | -179.3 | 0 | 0 | 0 | 109.8 | F175 F206 V236 V238 | F175-L204 HydrophobicContact CE1-CD2 4.05Å; F175-L204 HydrophobicContact CZ-CD2 3.65Å; L204-F206 HydrophobicContact CB-CD2 4.26Å; L204-F206 HydrophobicContact CB-CE2 3.58Å; L204-F206 HydrophobicContact CB-CZ 4.16Å; L204-F206 HydrophobicContact CD1-CE2 4.05Å; L204-F206 HydrophobicContact CD1-CZ 3.95Å; L204-F206 HydrophobicContact CG-CE2 4.45Å; L204-V236 WeakPolarHBondContact CA-O 3.15Å; L204-V236 HydrophobicContact CD2-CB 3.89Å; L204-V236 HydrophobicContact CD2-CG1 4.04Å; L204-V238 HydrophobicContact CD2-CG2 4.18Å |
| 205 | Y | 77.4 | Confident | 76.1 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 102.6 | 176.9 | 177.9 | -129.6 | 0 | 0 | 0 | 110.5 | D146 S207 C214 T217 T218 L221 V236 F237 V238 | D146-Y205 WeakPolarHBondContact OD1-CD2 3.16Å; Y205-S207 PolarHBondContact OH-OG 2.86Å; Y205-C214 PolarHBondContact OH-O 2.59Å; Y205-T217 HydrophobicContact CE2-CG2 3.7Å; Y205-T217 WeakPolarHBondContact OH-CB 3.4Å; Y205-T218 HydrophobicContact CE1-CG2 4.2Å; Y205-T218 PolarHBondContact OH-OG1 3.07Å; Y205-L221 HydrophobicContact CD1-CD2 3.46Å; Y205-L221 VanDerWaalsContact CD1-CD2 3.46Å; Y205-L221 HydrophobicContact CD2-CD2 3.77Å; Y205-L221 HydrophobicContact CE1-CD2 3.86Å; Y205-L221 HydrophobicContact CE2-CD2 4.16Å; Y205-L221 HydrophobicContact CG-CD2 3.44Å; Y205-L221 VanDerWaalsContact CG-CD2 3.44Å; Y205-V236 PolarHBondContact N-O 3.06Å; Y205-F237 AromaticContact CD1-CD2 3.63Å; Y205-F237 HydrophobicContact CD1-CD2 3.63Å; Y205-F237 HydrophobicContact CD1-CE2 4.16Å; Y205-F237 AromaticContact CE1-CD2 3.96Å; Y205-F237 HydrophobicContact CE1-CD2 3.96Å; Y205-F237 HydrophobicContact CE1-CE2 4.05Å; Y205-F237 WeakPolarHBondContact O-CA 3.32Å; Y205-V238 PolarHBondContact O-N 3.15Å |
| 206 | F | 76.5 | Confident | 75.2 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122.6 | 178.5 | -62.6 | -91.6 | 0 | 0 | 0 | 110.5 | L204 V238 R240 | L204-F206 HydrophobicContact CB-CD2 4.26Å; L204-F206 HydrophobicContact CB-CE2 3.58Å; L204-F206 HydrophobicContact CB-CZ 4.16Å; L204-F206 HydrophobicContact CD1-CE2 4.05Å; L204-F206 HydrophobicContact CD1-CZ 3.95Å; L204-F206 HydrophobicContact CG-CE2 4.45Å; F206-V238 WeakPolarHBondContact CA-O 3.48Å; F206-V238 HydrophobicContact CD1-CB 3.63Å; F206-V238 HydrophobicContact CD1-CG1 3.74Å; F206-V238 HydrophobicContact CD1-CG2 4.39Å; F206-V238 HydrophobicContact CE1-CB 3.73Å; F206-V238 HydrophobicContact CE1-CG1 3.64Å; F206-V238 HydrophobicContact CE1-CG2 4.09Å; F206-V238 HydrophobicContact CG-CB 4.34Å; F206-V238 HydrophobicContact CZ-CG2 4.44Å; F206-R240 HydrophobicContact CB-CG 4.39Å |
| 207 | S | 78.5 | Confident | 74.2 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 162.8 | -172.3 | -164.7 | 0 | 0 | 0 | 0 | 112.5 | Y205 C214 F237 V238 S239 R240 Y250 | Y205-S207 PolarHBondContact OH-OG 2.86Å; S207-C214 VanDerWaalsContact OG-CB 3.23Å; S207-C214 WeakPolarHBondContact OG-CB 3.46Å; S207-F237 VanDerWaalsContact CB-CE2 3.45Å; S207-V238 PolarHBondContact N-O 3.4Å; S207-S239 CarbonylContact O-C 3.47Å; S207-S239 WeakPolarHBondContact O-CA 3.5Å; S207-R240 PolarHBondContact O-N 3.39Å; S207-Y250 WeakPolarHBondContact OG-CE1 3.27Å; S207-Y250 PolarHBondContact OG-OH 3Å |
| 208 | A | 84.2 | Confident | 73.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | trans | -146.2 | 148.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | W210 C211 R240 | A208-W210 VanDerWaalsContact C-N 3.26Å; A208-W210 HydrophobicContact CB-CD2 4.19Å; A208-W210 HydrophobicContact CB-CG 4.2Å; A208-W210 HydrophobicContact CB-CZ2 4.13Å; A208-W210 PolarHBondContact O-N 3.43Å; A208-C211 HydrophobicContact CB-CB 4.33Å; A208-C211 WeakPolarHBondContact O-CB 3.36Å; A208-C211 PolarHBondContact O-N 2.84Å; A208-C211 VanDerWaalsContact O-N 3.14Å; A208-R240 HydrophobicContact CB-CB 4.06Å | ||
| 209 | S | 87.7 | Confident | 73.5 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 22% | 0.217 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.8 | 179.3 | 80.8 | 0 | 0 | 0 | 0 | 112.7 | C211 H215 D241 | S209-C211 VanDerWaalsContact C-N 3.25Å; S209-C211 PolarHBondContact O-N 3.4Å; S209-H215 PolarHBondContact O-CD2 3.43Å; S209-H215 PolarHBondContact O-NE2 3.11Å; S209-D241 VanDerWaalsContact CB-OD1 3.26Å; S209-D241 WeakPolarHBondContact CB-OD1 3.48Å; S209-D241 PolarHBondContact N-OD1 3.39Å; S209-D241 PolarHBondContact N-OD2 3.44Å; S209-D241 PolarHBondContact OG-OD1 3.42Å |
| 210 | W | 84.7 | Confident | 73.3 | Confident | 179 Ų | 179 | 46.3 Ų | 46.3 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.9 | -178.9 | 57.3 | -92.6 | 0 | 0 | 0 | 113.5 | A208 | A208-W210 VanDerWaalsContact C-N 3.26Å; A208-W210 HydrophobicContact CB-CD2 4.19Å; A208-W210 HydrophobicContact CB-CG 4.2Å; A208-W210 HydrophobicContact CB-CZ2 4.13Å; A208-W210 PolarHBondContact O-N 3.43Å |
| 211 | C | 76.2 | Confident | 73.2 | Confident | 27 Ų | 27 | 45.5 Ų | 45.5 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | trans | -97.6 | 102 | -174.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | A208 S209 I213 C214 H215 | A208-C211 HydrophobicContact CB-CB 4.33Å; A208-C211 WeakPolarHBondContact O-CB 3.36Å; A208-C211 PolarHBondContact O-N 2.84Å; A208-C211 VanDerWaalsContact O-N 3.14Å; S209-C211 VanDerWaalsContact C-N 3.25Å; S209-C211 PolarHBondContact O-N 3.4Å; C211-I213 VanDerWaalsContact C-N 3.29Å; C211-I213 PolarHBondContact O-N 3.07Å; C211-C214 HydrophobicContact CB-CB 3.5Å; C211-C214 WeakPolarHBondContact CB-SG 3.45Å; C211-C214 WeakPolarHBondContact O-CA 3.48Å; C211-C214 WeakPolarHBondContact O-CB 3.48Å; C211-C214 PolarHBondContact O-N 3.34Å; C211-C214 WeakPolarHBondContact SG-CB 3.2Å; C211-C214 PolarHBondContact SG-N 2.95Å; C211-C214 CovalentContact SG-SG 2.05Å; C211-C214 PolarHBondContact SG-SG 2.96Å; C211-H215 PolarHBondContact O-CD2 2.95Å; C211-H215 PolarHBondContact O-N 2.93Å | ||
| 212 | Y | 77.1 | Confident | 73.9 | Confident | 179 Ų | 179 | 47.3 Ų | 47.3 | 70% | 0.702 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -55.8 | -38.4 | 179.9 | 173.8 | -108.3 | 0 | 0 | 0 | 114.2 | C214 Q216 | Y212-C214 VanDerWaalsContact C-N 3.28Å; Y212-C214 PolarHBondContact O-N 3.32Å; Y212-Q216 VanDerWaalsContact CZ-NE2 3.25Å |
| 213 | I | 63.1 | Low | 74.1 | Confident | 102 Ų | 102 | 49.7 Ų | 49.7 | 52% | 0.523 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67 | -35.5 | 176 | -64.2 | 171.4 | 0 | 0 | 0 | 110.3 | N142 C211 Q216 T217 | N142-I213 PolarHBondContact ND2-O 3.02Å; C211-I213 VanDerWaalsContact C-N 3.29Å; C211-I213 PolarHBondContact O-N 3.07Å; I213-Q216 WeakPolarHBondContact O-CB 3.4Å; I213-Q216 PolarHBondContact O-N 3.05Å; I213-T217 PolarHBondContact O-N 3.24Å; I213-T217 PolarHBondContact O-OG1 2.95Å; I213-T217 VanDerWaalsContact O-OG1 3.08Å |
| 214 | C | 75.9 | Confident | 74.2 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | -177.6 | -59.6 | 0 | 0 | 0 | 0 | 112 | Y205 S207 C211 Y212 Q216 T217 T218 Y250 | Y205-C214 PolarHBondContact OH-O 2.59Å; S207-C214 VanDerWaalsContact OG-CB 3.23Å; S207-C214 WeakPolarHBondContact OG-CB 3.46Å; C211-C214 HydrophobicContact CB-CB 3.5Å; C211-C214 WeakPolarHBondContact CB-SG 3.45Å; C211-C214 WeakPolarHBondContact O-CA 3.48Å; C211-C214 WeakPolarHBondContact O-CB 3.48Å; C211-C214 PolarHBondContact O-N 3.34Å; C211-C214 WeakPolarHBondContact SG-CB 3.2Å; C211-C214 PolarHBondContact SG-N 2.95Å; C211-C214 CovalentContact SG-SG 2.05Å; C211-C214 PolarHBondContact SG-SG 2.96Å; Y212-C214 VanDerWaalsContact C-N 3.28Å; Y212-C214 PolarHBondContact O-N 3.32Å; C214-Q216 VanDerWaalsContact C-N 3.3Å; C214-Q216 PolarHBondContact O-N 3.3Å; C214-T217 WeakPolarHBondContact O-CB 3.44Å; C214-T217 PolarHBondContact O-N 2.87Å; C214-T217 VanDerWaalsContact O-N 3.13Å; C214-T218 WeakPolarHBondContact O-CB 3.49Å; C214-T218 PolarHBondContact O-N 2.85Å; C214-T218 PolarHBondContact O-OG1 2.89Å; C214-Y250 PolarHBondContact O-OH 3.42Å |
| 215 | H | 77.3 | Confident | 74.5 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.4 | -45.4 | 170.4 | -79 | -85.6 | 0 | 0 | 0 | 112.2 | S209 C211 T218 A219 Y250 | S209-H215 PolarHBondContact O-CD2 3.43Å; S209-H215 PolarHBondContact O-NE2 3.11Å; C211-H215 PolarHBondContact O-CD2 2.95Å; C211-H215 PolarHBondContact O-N 2.93Å; H215-T218 PolarHBondContact O-N 2.91Å; H215-A219 PolarHBondContact O-N 2.94Å; H215-A219 VanDerWaalsContact O-N 3.14Å; H215-Y250 AromaticContact CE1-CD2 3.39Å; H215-Y250 WeakPolarHBondContact CE1-CD2 3.49Å; H215-Y250 AromaticContact CE1-CE2 3.35Å; H215-Y250 WeakPolarHBondContact CE1-CE2 3.39Å; H215-Y250 AromaticContact CG-CE2 3.95Å; H215-Y250 AromaticContact ND1-CD2 3.92Å; H215-Y250 AromaticContact ND1-CE2 3.49Å; H215-Y250 WeakPolarHBondContact ND1-CE2 3.42Å; H215-Y250 AromaticContact NE2-CD2 3.9Å; H215-Y250 AromaticContact NE2-CE2 3.74Å |
| 216 | Q | 69.2 | Low | 74.5 | Confident | 86 Ų | 86 | 54 Ų | 54 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.7 | -68.7 | 176.6 | 66.8 | 0 | 0 | 111.7 | Y212 I213 C214 T218 I220 | Y212-Q216 VanDerWaalsContact CZ-NE2 3.25Å; I213-Q216 WeakPolarHBondContact O-CB 3.4Å; I213-Q216 PolarHBondContact O-N 3.05Å; C214-Q216 VanDerWaalsContact C-N 3.3Å; C214-Q216 PolarHBondContact O-N 3.3Å; Q216-T218 VanDerWaalsContact C-N 3.35Å; Q216-T218 PolarHBondContact O-N 2.76Å; Q216-I220 WeakPolarHBondContact O-CD1 3.41Å; Q216-I220 WeakPolarHBondContact O-CG1 3.37Å |
| 217 | T | 67.2 | Low | 74 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 175.1 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | N142 Y205 I213 C214 I220 L221 | N142-T217 HydrophobicContact CB-CG2 3.52Å; N142-T217 WeakPolarHBondContact CB-OG1 3.37Å; N142-T217 PolarHBondContact ND2-N 3.04Å; N142-T217 PolarHBondContact ND2-OG1 2.87Å; Y205-T217 HydrophobicContact CE2-CG2 3.7Å; Y205-T217 WeakPolarHBondContact OH-CB 3.4Å; I213-T217 PolarHBondContact O-N 3.24Å; I213-T217 PolarHBondContact O-OG1 2.95Å; I213-T217 VanDerWaalsContact O-OG1 3.08Å; C214-T217 WeakPolarHBondContact O-CB 3.44Å; C214-T217 PolarHBondContact O-N 2.87Å; C214-T217 VanDerWaalsContact O-N 3.13Å; T217-I220 PolarHBondContact O-N 2.59Å; T217-I220 VanDerWaalsContact O-N 3.11Å; T217-L221 WeakPolarHBondContact O-CB 3.49Å; T217-L221 PolarHBondContact O-N 2.97Å |
| 218 | T | 74.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -46.3 | -169.8 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | Y205 C214 H215 Q216 I220 L221 K222 Y250 A254 W258 | Y205-T218 HydrophobicContact CE1-CG2 4.2Å; Y205-T218 PolarHBondContact OH-OG1 3.07Å; C214-T218 WeakPolarHBondContact O-CB 3.49Å; C214-T218 PolarHBondContact O-N 2.85Å; C214-T218 PolarHBondContact O-OG1 2.89Å; H215-T218 PolarHBondContact O-N 2.91Å; Q216-T218 VanDerWaalsContact C-N 3.35Å; Q216-T218 PolarHBondContact O-N 2.76Å; T218-I220 PolarHBondContact O-N 3.02Å; T218-L221 PolarHBondContact O-N 3.37Å; T218-K222 WeakPolarHBondContact O-CB 3.46Å; T218-K222 PolarHBondContact O-N 2.99Å; T218-Y250 PolarHBondContact OG1-OH 2.96Å; T218-A254 HydrophobicContact CG2-CB 4.02Å; T218-A254 WeakPolarHBondContact CG2-O 3.16Å; T218-W258 HydrophobicContact CG2-CH2 4.01Å; T218-W258 HydrophobicContact CG2-CZ2 3.7Å |
| 219 | A | 72.5 | Confident | 72.8 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -51.1 | -31.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | H215 | H215-A219 PolarHBondContact O-N 2.94Å; H215-A219 VanDerWaalsContact O-N 3.14Å |
| 220 | I | 63 | Low | 72.2 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -96.4 | -39 | -174.5 | -51.4 | 166.7 | 0 | 0 | 0 | 113.8 | V139 T140 Q216 T217 T218 K222 D223 F224 | V139-I220 HydrophobicContact CB-CG2 3.99Å; V139-I220 HydrophobicContact CG1-CG2 3.43Å; V139-I220 VanDerWaalsContact CG1-CG2 3.43Å; V139-I220 VanDerWaalsContact CG1-O 3.28Å; V139-I220 WeakPolarHBondContact CG1-O 3.47Å; V139-I220 WeakPolarHBondContact O-CG2 3.15Å; T140-I220 HydrophobicContact CG2-CG2 4.2Å; Q216-I220 WeakPolarHBondContact O-CD1 3.41Å; Q216-I220 WeakPolarHBondContact O-CG1 3.37Å; T217-I220 PolarHBondContact O-N 2.59Å; T217-I220 VanDerWaalsContact O-N 3.11Å; T218-I220 PolarHBondContact O-N 3.02Å; I220-K222 PolarHBondContact O-N 3.48Å; I220-D223 WeakPolarHBondContact O-CB 3.13Å; I220-D223 PolarHBondContact O-N 3.09Å; I220-D223 VanDerWaalsContact O-N 3.16Å; I220-F224 PolarHBondContact O-N 2.94Å |
| 221 | L | 69.4 | Low | 71.7 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55 | -34.6 | 170.9 | -171.5 | 57 | 0 | 0 | 0 | 109.7 | D146 Y205 T217 T218 F224 Y225 I235 W258 | D146-L221 HydrophobicContact CB-CD1 4.17Å; D146-L221 WeakPolarHBondContact OD2-CD1 3.37Å; Y205-L221 HydrophobicContact CD1-CD2 3.46Å; Y205-L221 VanDerWaalsContact CD1-CD2 3.46Å; Y205-L221 HydrophobicContact CD2-CD2 3.77Å; Y205-L221 HydrophobicContact CE1-CD2 3.86Å; Y205-L221 HydrophobicContact CE2-CD2 4.16Å; Y205-L221 HydrophobicContact CG-CD2 3.44Å; Y205-L221 VanDerWaalsContact CG-CD2 3.44Å; T217-L221 WeakPolarHBondContact O-CB 3.49Å; T217-L221 PolarHBondContact O-N 2.97Å; T218-L221 PolarHBondContact O-N 3.37Å; L221-F224 HydrophobicContact CD1-CD1 4.04Å; L221-F224 WeakPolarHBondContact O-CB 3.23Å; L221-F224 PolarHBondContact O-N 3.33Å; L221-Y225 VanDerWaalsContact O-CB 3.28Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 2.96Å; L221-I235 HydrophobicContact CD1-CD1 3.44Å; L221-I235 VanDerWaalsContact CD1-CD1 3.44Å; L221-I235 HydrophobicContact CD2-CD1 3.81Å; L221-I235 HydrophobicContact CD2-CG2 4.37Å; L221-I235 HydrophobicContact CG-CD1 3.46Å; L221-I235 VanDerWaalsContact CG-CD1 3.46Å; L221-W258 HydrophobicContact CB-CH2 3.84Å; L221-W258 HydrophobicContact CB-CZ3 3.93Å; L221-W258 HydrophobicContact CD2-CH2 4.15Å; L221-W258 HydrophobicContact CD2-CZ3 4.19Å; L221-W258 HydrophobicContact CG-CE3 4.46Å; L221-W258 HydrophobicContact CG-CH2 3.91Å; L221-W258 HydrophobicContact CG-CZ3 3.65Å; L221-W258 WeakPolarHBondContact O-CZ3 3.42Å |
| 222 | K | 77.4 | Confident | 71.4 | Confident | 60 Ų | 60 | 66 Ų | 66 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57 | -55.7 | 173.7 | 177.7 | 174.5 | -173.5 | 157.6 | 0 | 111.9 | T218 I220 F224 Y225 E226 H255 W258 | T218-K222 WeakPolarHBondContact O-CB 3.46Å; T218-K222 PolarHBondContact O-N 2.99Å; I220-K222 PolarHBondContact O-N 3.48Å; K222-F224 PolarHBondContact O-N 2.8Å; K222-Y225 PolarHBondContact O-N 3.06Å; K222-Y225 VanDerWaalsContact O-N 3.13Å; K222-E226 WeakPolarHBondContact CE-OE1 3.11Å; K222-E226 WeakPolarHBondContact CG-OE1 3.3Å; K222-E226 WeakPolarHBondContact O-CG 3.3Å; K222-E226 PolarHBondContact O-N 3.14Å; K222-H255 WeakPolarHBondContact CD-O 3.47Å; K222-H255 WeakPolarHBondContact CE-O 3.33Å; K222-H255 PolarHBondContact NZ-O 3.34Å; K222-W258 VanDerWaalsContact CA-CZ3 3.46Å; K222-W258 HydrophobicContact CB-CH2 4.04Å; K222-W258 HydrophobicContact CB-CZ3 4.21Å; K222-W258 VanDerWaalsContact N-CZ3 3.31Å |
| 223 | D | 71.9 | Confident | 71.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.9 | -42.7 | 176 | -86.1 | 24.2 | 0 | 0 | 0 | 112 | K133 V139 I220 E227 | K133-D223 IonicContact NZ-OD2 2.81Å; K133-D223 PolarHBondContact NZ-OD2 2.83Å; V139-D223 HydrophobicContact CG1-CB 3.87Å; I220-D223 WeakPolarHBondContact O-CB 3.13Å; I220-D223 PolarHBondContact O-N 3.09Å; I220-D223 VanDerWaalsContact O-N 3.16Å; D223-E227 WeakPolarHBondContact O-CB 3.43Å; D223-E227 PolarHBondContact O-N 3.13Å |
| 224 | F | 65.4 | Low | 72.1 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 178 | 173.8 | -106.5 | 0 | 0 | 0 | 112.3 | V47 I131 V139 I220 L221 K222 E227 I228 F233 | V47-F224 HydrophobicContact CG1-CE2 4.41Å; I131-F224 HydrophobicContact CG1-CE2 4.45Å; I131-F224 HydrophobicContact CG2-CD2 3.81Å; I131-F224 HydrophobicContact CG2-CE2 3.97Å; V139-F224 HydrophobicContact CG1-CB 3.73Å; I220-F224 PolarHBondContact O-N 2.94Å; L221-F224 HydrophobicContact CD1-CD1 4.04Å; L221-F224 WeakPolarHBondContact O-CB 3.23Å; L221-F224 PolarHBondContact O-N 3.33Å; K222-F224 PolarHBondContact O-N 2.8Å; F224-E227 PolarHBondContact O-N 3.18Å; F224-I228 HydrophobicContact CD1-CD1 4.26Å; F224-I228 HydrophobicContact CD2-CD1 3.98Å; F224-I228 HydrophobicContact CD2-CG1 4.38Å; F224-I228 HydrophobicContact CE1-CD1 3.59Å; F224-I228 HydrophobicContact CE2-CD1 3.27Å; F224-I228 HydrophobicContact CE2-CG1 4.09Å; F224-I228 HydrophobicContact CG-CD1 4.46Å; F224-I228 HydrophobicContact CZ-CD1 3.06Å; F224-I228 HydrophobicContact CZ-CG1 4.23Å; F224-I228 PolarHBondContact O-N 3.32Å; F224-F233 HydrophobicContact CD1-CE1 4.42Å; F224-F233 AromaticContact CE1-CE1 3.86Å; F224-F233 HydrophobicContact CE1-CE1 3.86Å; F224-F233 HydrophobicContact CE1-CZ 4.33Å |
| 225 | Y | 75.4 | Confident | 72.4 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.7 | -42.2 | -177.5 | -175.5 | -95.5 | 0 | 0 | 0 | 112.1 | K182 L221 K222 E227 G229 D230 F233 E234 I235 D257 W258 | K182-Y225 PolarHBondContact NZ-OH 2.77Å; L221-Y225 VanDerWaalsContact O-CB 3.28Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 2.96Å; K222-Y225 PolarHBondContact O-N 3.06Å; K222-Y225 VanDerWaalsContact O-N 3.13Å; Y225-E227 PolarHBondContact O-N 3.03Å; Y225-G229 PolarHBondContact O-N 2.83Å; Y225-D230 HydrophobicContact CE1-CB 4.31Å; Y225-D230 WeakPolarHBondContact OH-CB 3.47Å; Y225-F233 HydrophobicContact CD2-CD1 4.19Å; Y225-F233 HydrophobicContact CD2-CE1 4.21Å; Y225-F233 HydrophobicContact CE2-CD1 4.42Å; Y225-E234 WeakPolarHBondContact CE2-OE1 3.03Å; Y225-E234 VanDerWaalsContact CZ-OE1 3.27Å; Y225-E234 PolarHBondContact OH-OE1 2.91Å; Y225-E234 PolarHBondContact OH-OE2 3.03Å; Y225-I235 HydrophobicContact CD2-CB 4.22Å; Y225-I235 HydrophobicContact CD2-CD1 3.63Å; Y225-I235 HydrophobicContact CD2-CG1 3.79Å; Y225-I235 HydrophobicContact CE2-CB 4.28Å; Y225-I235 HydrophobicContact CE2-CD1 4.48Å; Y225-I235 HydrophobicContact CE2-CG1 4.19Å; Y225-I235 HydrophobicContact CG-CD1 4.22Å; Y225-D257 HydrophobicContact CE1-CB 4.24Å; Y225-W258 HydrophobicContact CD1-CB 4.32Å; Y225-W258 HydrophobicContact CD1-CE3 4.15Å; Y225-W258 HydrophobicContact CD2-CB 4.32Å; Y225-W258 HydrophobicContact CD2-CE3 4.21Å; Y225-W258 HydrophobicContact CE1-CB 4.01Å; Y225-W258 HydrophobicContact CE2-CB 3.99Å; Y225-W258 HydrophobicContact CG-CB 4.46Å; Y225-W258 AromaticContact CG-CE3 3.76Å; Y225-W258 HydrophobicContact CG-CE3 3.76Å; Y225-W258 HydrophobicContact CG-CZ3 4.45Å |
| 226 | E | 77.6 | Confident | 72.7 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 48% | 0.481 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -33.9 | 174.3 | -72.5 | 175.4 | -168.8 | 0 | 0 | 111.9 | K222 | K222-E226 WeakPolarHBondContact CE-OE1 3.11Å; K222-E226 WeakPolarHBondContact CG-OE1 3.3Å; K222-E226 WeakPolarHBondContact O-CG 3.3Å; K222-E226 PolarHBondContact O-N 3.14Å |
| 227 | E | 65 | Low | 73.4 | Confident | 82 Ų | 82 | 45.2 Ų | 45.2 | 38% | 0.383 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -78.6 | -47.1 | -178.1 | -173 | 171.2 | 168 | 0 | 0 | 113.2 | K133 D223 F224 Y225 G229 | K133-E227 WeakPolarHBondContact CG-OE2 3.46Å; D223-E227 WeakPolarHBondContact O-CB 3.43Å; D223-E227 PolarHBondContact O-N 3.13Å; F224-E227 PolarHBondContact O-N 3.18Å; Y225-E227 PolarHBondContact O-N 3.03Å; E227-G229 VanDerWaalsContact C-N 3.26Å; E227-G229 PolarHBondContact O-N 3.46Å |
| 228 | I | 65.9 | Low | 74.1 | Confident | 67 Ų | 67 | 45.3 Ų | 45.3 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 176.8 | -67.8 | -171.2 | 0 | 0 | 0 | 111 | F224 F233 | F224-I228 HydrophobicContact CD1-CD1 4.26Å; F224-I228 HydrophobicContact CD2-CD1 3.98Å; F224-I228 HydrophobicContact CD2-CG1 4.38Å; F224-I228 HydrophobicContact CE1-CD1 3.59Å; F224-I228 HydrophobicContact CE2-CD1 3.27Å; F224-I228 HydrophobicContact CE2-CG1 4.09Å; F224-I228 HydrophobicContact CG-CD1 4.46Å; F224-I228 HydrophobicContact CZ-CD1 3.06Å; F224-I228 HydrophobicContact CZ-CG1 4.23Å; F224-I228 PolarHBondContact O-N 3.32Å; I228-F233 HydrophobicContact CG2-CB 4.09Å; I228-F233 HydrophobicContact CG2-CD1 4.49Å |
| 229 | G | 72.4 | Confident | 74.6 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 27% | 0.268 | 23% | 0.229 | S | C | . | . | trans | 73 | 163.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y225 E227 K231 | Y225-G229 PolarHBondContact O-N 2.83Å; E227-G229 VanDerWaalsContact C-N 3.26Å; E227-G229 PolarHBondContact O-N 3.46Å; G229-K231 VanDerWaalsContact C-N 3.33Å; G229-K231 PolarHBondContact O-N 3.38Å | ||
| 230 | D | 75.2 | Confident | 75.2 | Confident | 62 Ų | 62 | 49.6 Ų | 49.6 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 8.8 | -168.2 | 72.2 | -13.3 | 0 | 0 | 0 | 114.4 | K182 K200 Y225 F233 | K182-D230 IonicContact NZ-OD2 2.78Å; K182-D230 PolarHBondContact NZ-OD2 3.39Å; K200-D230 WeakPolarHBondContact CE-O 3.49Å; K200-D230 PolarHBondContact NZ-O 2.95Å; Y225-D230 HydrophobicContact CE1-CB 4.31Å; Y225-D230 WeakPolarHBondContact OH-CB 3.47Å; D230-F233 CarbonylContact C-O 3.54Å; D230-F233 VanDerWaalsContact CA-O 3.27Å; D230-F233 WeakPolarHBondContact CA-O 3.46Å |
| 231 | K | 74.8 | Confident | 76.4 | Confident | 187 Ų | 187 | 48.5 Ų | 48.5 | 81% | 0.813 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -44.3 | -172.1 | -72.6 | -175 | -179.6 | 175.1 | 0 | 113.1 | G229 | G229-K231 VanDerWaalsContact C-N 3.33Å; G229-K231 PolarHBondContact O-N 3.38Å |
| 232 | K | 69.9 | Low | 77.2 | Confident | 167 Ų | 167 | 57.3 Ų | 57.3 | 73% | 0.726 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -13.1 | -177.3 | -67.4 | -173.9 | 179.4 | 179.3 | 0 | 113.2 | K200 I201 | K200-K232 WeakPolarHBondContact CA-O 3.48Å; I201-K232 PolarHBondContact N-O 3.06Å |
| 233 | F | 72.2 | Confident | 77.9 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.057 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139 | -176.5 | 178.3 | -112.4 | 0 | 0 | 0 | 109.1 | F70 I201 F224 Y225 I228 D230 I235 | F70-F233 HydrophobicContact CE2-CE2 4.3Å; I201-F233 HydrophobicContact CB-CD2 4.05Å; I201-F233 HydrophobicContact CG2-CD2 3.95Å; I201-F233 HydrophobicContact CG2-CE2 4.31Å; I201-F233 CarbonylContact O-C 3.54Å; I201-F233 WeakPolarHBondContact O-CA 3.1Å; F224-F233 HydrophobicContact CD1-CE1 4.42Å; F224-F233 AromaticContact CE1-CE1 3.86Å; F224-F233 HydrophobicContact CE1-CE1 3.86Å; F224-F233 HydrophobicContact CE1-CZ 4.33Å; Y225-F233 HydrophobicContact CD2-CD1 4.19Å; Y225-F233 HydrophobicContact CD2-CE1 4.21Å; Y225-F233 HydrophobicContact CE2-CD1 4.42Å; I228-F233 HydrophobicContact CG2-CB 4.09Å; I228-F233 HydrophobicContact CG2-CD1 4.49Å; D230-F233 CarbonylContact C-O 3.54Å; D230-F233 VanDerWaalsContact CA-O 3.27Å; D230-F233 WeakPolarHBondContact CA-O 3.46Å; F233-I235 HydrophobicContact CD1-CG1 4.4Å; F233-I235 HydrophobicContact CE1-CD1 3.76Å; F233-I235 HydrophobicContact CE1-CG1 3.43Å; F233-I235 VanDerWaalsContact CE1-CG1 3.43Å; F233-I235 HydrophobicContact CZ-CD1 4.17Å; F233-I235 HydrophobicContact CZ-CG1 3.59Å |
| 234 | E | 82.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139 | 173.2 | -176.5 | 58 | -94 | 0 | 0 | 109.2 | K182 Y196 L197 K200 I201 V202 G203 Y225 V236 W258 S259 | K182-E234 IonicContact NZ-OE1 2.98Å; K182-E234 IonicContact NZ-OE2 3.69Å; K182-E234 PolarHBondContact NZ-OE2 2.71Å; Y196-E234 HydrophobicContact CE1-CG 3.96Å; Y196-E234 WeakPolarHBondContact CE1-OE2 3.42Å; Y196-E234 VanDerWaalsContact CZ-OE2 3.23Å; Y196-E234 PolarHBondContact OH-OE2 3.44Å; L197-E234 HydrophobicContact CD2-CB 3.85Å; L197-E234 HydrophobicContact CD2-CG 3.53Å; K200-E234 HydrophobicContact CD-CB 3.84Å; K200-E234 IonicContact NZ-OE2 3.45Å; I201-E234 PolarHBondContact O-N 3.18Å; V202-E234 CarbonylContact C-O 3.48Å; V202-E234 WeakPolarHBondContact CA-O 3.14Å; G203-E234 PolarHBondContact N-O 3.41Å; Y225-E234 WeakPolarHBondContact CE2-OE1 3.03Å; Y225-E234 VanDerWaalsContact CZ-OE1 3.27Å; Y225-E234 PolarHBondContact OH-OE1 2.91Å; Y225-E234 PolarHBondContact OH-OE2 3.03Å; E234-V236 HydrophobicContact CG-CG2 4.5Å; E234-W258 WeakPolarHBondContact OE1-CA 3.48Å; E234-S259 PolarHBondContact OE1-N 3.37Å |
| 235 | I | 82.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.1 | 168.9 | -66.3 | 172.2 | 0 | 0 | 0 | 107 | G203 L221 Y225 F233 W258 S259 | G203-I235 CarbonylContact O-C 3.5Å; G203-I235 WeakPolarHBondContact O-CA 3.16Å; L221-I235 HydrophobicContact CD1-CD1 3.44Å; L221-I235 VanDerWaalsContact CD1-CD1 3.44Å; L221-I235 HydrophobicContact CD2-CD1 3.81Å; L221-I235 HydrophobicContact CD2-CG2 4.37Å; L221-I235 HydrophobicContact CG-CD1 3.46Å; L221-I235 VanDerWaalsContact CG-CD1 3.46Å; Y225-I235 HydrophobicContact CD2-CB 4.22Å; Y225-I235 HydrophobicContact CD2-CD1 3.63Å; Y225-I235 HydrophobicContact CD2-CG1 3.79Å; Y225-I235 HydrophobicContact CE2-CB 4.28Å; Y225-I235 HydrophobicContact CE2-CD1 4.48Å; Y225-I235 HydrophobicContact CE2-CG1 4.19Å; Y225-I235 HydrophobicContact CG-CD1 4.22Å; F233-I235 HydrophobicContact CD1-CG1 4.4Å; F233-I235 HydrophobicContact CE1-CD1 3.76Å; F233-I235 HydrophobicContact CE1-CG1 3.43Å; F233-I235 VanDerWaalsContact CE1-CG1 3.43Å; F233-I235 HydrophobicContact CZ-CD1 4.17Å; F233-I235 HydrophobicContact CZ-CG1 3.59Å; I235-W258 HydrophobicContact CB-CB 3.71Å; I235-W258 HydrophobicContact CB-CD2 4.15Å; I235-W258 HydrophobicContact CB-CE3 4.16Å; I235-W258 HydrophobicContact CB-CG 3.98Å; I235-W258 HydrophobicContact CD1-CD2 4.48Å; I235-W258 HydrophobicContact CD1-CE3 3.7Å; I235-W258 HydrophobicContact CD1-CZ3 4.04Å; I235-W258 HydrophobicContact CG2-CB 4.24Å; I235-W258 HydrophobicContact CG2-CD2 4Å; I235-W258 HydrophobicContact CG2-CE3 4.25Å; I235-W258 HydrophobicContact CG2-CG 3.99Å; I235-W258 WeakPolarHBondContact O-CB 3.4Å; I235-S259 WeakPolarHBondContact O-CA 3.23Å; I235-S259 PolarHBondContact O-N 3.26Å; I235-S259 VanDerWaalsContact O-O 3.12Å |
| 236 | V | 82.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 102.6 | 169.4 | 175.6 | 0 | 0 | 0 | 0 | 107.1 | F175 L180 L197 V202 G203 L204 Y205 E234 V238 S259 I261 | F175-V236 HydrophobicContact CE1-CB 4.47Å; F175-V236 HydrophobicContact CE1-CG1 4.05Å; F175-V236 HydrophobicContact CE1-CG2 4.34Å; F175-V236 HydrophobicContact CZ-CG2 4.38Å; L180-V236 HydrophobicContact CD1-CG1 3.72Å; L180-V236 HydrophobicContact CD1-CG2 4.08Å; L197-V236 HydrophobicContact CD1-CG2 4.22Å; L197-V236 HydrophobicContact CD2-CG2 4.21Å; V202-V236 HydrophobicContact CG1-CB 4.29Å; V202-V236 HydrophobicContact CG1-CG2 3.63Å; G203-V236 PolarHBondContact O-N 3.4Å; L204-V236 WeakPolarHBondContact CA-O 3.15Å; L204-V236 HydrophobicContact CD2-CB 3.89Å; L204-V236 HydrophobicContact CD2-CG1 4.04Å; Y205-V236 PolarHBondContact N-O 3.06Å; E234-V236 HydrophobicContact CG-CG2 4.5Å; V236-V238 HydrophobicContact CG1-CG2 4.38Å; V236-S259 CarbonylContact C-O 3.57Å; V236-S259 WeakPolarHBondContact CA-O 3.49Å; V236-I261 HydrophobicContact CG1-CD1 4.1Å; V236-I261 HydrophobicContact CG1-CG1 3.79Å |
| 237 | F | 84.8 | Confident | 81 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 127.9 | 175 | 178.8 | -80 | 0 | 0 | 0 | 110.1 | Y205 S207 L247 Y250 M251 S259 F260 I261 | Y205-F237 AromaticContact CD1-CD2 3.63Å; Y205-F237 HydrophobicContact CD1-CD2 3.63Å; Y205-F237 HydrophobicContact CD1-CE2 4.16Å; Y205-F237 AromaticContact CE1-CD2 3.96Å; Y205-F237 HydrophobicContact CE1-CD2 3.96Å; Y205-F237 HydrophobicContact CE1-CE2 4.05Å; Y205-F237 WeakPolarHBondContact O-CA 3.32Å; S207-F237 VanDerWaalsContact CB-CE2 3.45Å; F237-L247 HydrophobicContact CD1-CD1 4.34Å; F237-L247 HydrophobicContact CE1-CD1 3.56Å; F237-L247 HydrophobicContact CZ-CD1 4.32Å; F237-Y250 HydrophobicContact CE2-CD1 4.34Å; F237-Y250 AromaticContact CE2-CE1 3.89Å; F237-Y250 HydrophobicContact CE2-CE1 3.89Å; F237-Y250 AromaticContact CZ-CD1 3.74Å; F237-Y250 HydrophobicContact CZ-CD1 3.74Å; F237-Y250 AromaticContact CZ-CE1 3.65Å; F237-Y250 HydrophobicContact CZ-CE1 3.65Å; F237-M251 HydrophobicContact CB-CE 4.46Å; F237-M251 HydrophobicContact CD1-CE 3.77Å; F237-M251 HydrophobicContact CD1-SD 4.36Å; F237-M251 HydrophobicContact CE1-CE 4.24Å; F237-M251 HydrophobicContact CE1-SD 4.37Å; F237-M251 HydrophobicContact CG-CE 4.14Å; F237-S259 PolarHBondContact N-O 3.1Å; F237-F260 HydrophobicContact CB-CB 3.8Å; F237-F260 HydrophobicContact CD1-CB 4.13Å; F237-F260 HydrophobicContact CG-CB 4.39Å; F237-F260 VanDerWaalsContact O-CA 3.25Å; F237-F260 WeakPolarHBondContact O-CA 3.2Å; F237-I261 PolarHBondContact O-N 2.71Å |
| 238 | V | 81.9 | Confident | 82.1 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 107.4 | 177.2 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | L204 Y205 F206 S207 V236 I261 I268 | L204-V238 HydrophobicContact CD2-CG2 4.18Å; Y205-V238 PolarHBondContact O-N 3.15Å; F206-V238 WeakPolarHBondContact CA-O 3.48Å; F206-V238 HydrophobicContact CD1-CB 3.63Å; F206-V238 HydrophobicContact CD1-CG1 3.74Å; F206-V238 HydrophobicContact CD1-CG2 4.39Å; F206-V238 HydrophobicContact CE1-CB 3.73Å; F206-V238 HydrophobicContact CE1-CG1 3.64Å; F206-V238 HydrophobicContact CE1-CG2 4.09Å; F206-V238 HydrophobicContact CG-CB 4.34Å; F206-V238 HydrophobicContact CZ-CG2 4.44Å; S207-V238 PolarHBondContact N-O 3.4Å; V236-V238 HydrophobicContact CG1-CG2 4.38Å; V238-I261 HydrophobicContact CG2-CD1 4.11Å; V238-I268 HydrophobicContact CG1-CG1 4.3Å; V238-I268 HydrophobicContact CG1-CG2 4.32Å |
| 239 | S | 86 | Confident | 83 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 137.8 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | S207 D241 | S207-S239 CarbonylContact O-C 3.47Å; S207-S239 WeakPolarHBondContact O-CA 3.5Å; S239-D241 VanDerWaalsContact OG-CB 3.24Å; S239-D241 WeakPolarHBondContact OG-CB 3.35Å; S239-D241 PolarHBondContact OG-N 3.15Å; S239-D241 PolarHBondContact OG-OD2 3.06Å |
| 240 | R | 83.9 | Confident | 83.7 | Confident | 142 Ų | 142 | 58.1 Ų | 58.1 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | trans | -107 | 13.4 | 166.7 | -56.5 | -58.5 | -58.7 | -174.9 | -0.2 | 111.7 | F206 S207 A208 | F206-R240 HydrophobicContact CB-CG 4.39Å; S207-R240 PolarHBondContact O-N 3.39Å; A208-R240 HydrophobicContact CB-CB 4.06Å | ||
| 241 | D | 87.5 | Confident | 84.1 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 27% | 0.271 | C | S | . | . | trans | -67.1 | 163.6 | 173.5 | -65.9 | -59.3 | 0 | 0 | 0 | 111.2 | S209 S239 D246 F263 | S209-D241 VanDerWaalsContact CB-OD1 3.26Å; S209-D241 WeakPolarHBondContact CB-OD1 3.48Å; S209-D241 PolarHBondContact N-OD1 3.39Å; S209-D241 PolarHBondContact N-OD2 3.44Å; S209-D241 PolarHBondContact OG-OD1 3.42Å; S239-D241 VanDerWaalsContact OG-CB 3.24Å; S239-D241 WeakPolarHBondContact OG-CB 3.35Å; S239-D241 PolarHBondContact OG-N 3.15Å; S239-D241 PolarHBondContact OG-OD2 3.06Å; D241-D246 HydrophobicContact CB-CB 3.79Å; D241-F263 WeakPolarHBondContact O-CE2 3.41Å | ||
| 242 | K | 87.9 | Confident | 84.4 | Confident | 186 Ų | 186 | 54.5 Ų | 54.5 | 81% | 0.809 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -100.6 | -4 | -177.1 | -64.4 | -178.5 | -178.4 | 176.3 | 0 | 112.8 | F263 | K242-F263 VanDerWaalsContact C-CE2 3.49Å; K242-F263 WeakPolarHBondContact O-CZ 3.28Å |
| 243 | S | 90.5 | Very high | 84.6 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 25% | 0.252 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -147.4 | 154.1 | 177.3 | 77.2 | 0 | 0 | 0 | 0 | 111.7 | K245 D246 L247 | S243-K245 PolarHBondContact O-N 3.18Å; S243-K245 PolarHBondContact OG-N 3.14Å; S243-D246 PolarHBondContact O-N 3.17Å; S243-D246 PolarHBondContact OG-N 3.31Å; S243-D246 VanDerWaalsContact OG-N 3.08Å; S243-D246 PolarHBondContact OG-OD2 3.15Å; S243-L247 PolarHBondContact O-N 3.15Å |
| 244 | A | 89 | Confident | 84.4 | Confident | 59 Ų | 59 | 53.3 Ų | 53.3 | 49% | 0.488 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -27.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A248 F263 | A244-A248 WeakPolarHBondContact O-CB 3.29Å; A244-A248 PolarHBondContact O-N 2.6Å; A244-F263 HydrophobicContact CB-CB 3.93Å; A244-F263 HydrophobicContact CB-CD1 3.9Å; A244-F263 HydrophobicContact CB-CG 4.05Å |
| 245 | K | 90.1 | Very high | 83.9 | Confident | 140 Ų | 140 | 56 Ų | 56 | 61% | 0.609 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.4 | -49.1 | 177.1 | -179.1 | -177.6 | 167.6 | -175.2 | 0 | 111.1 | S243 L247 A248 E249 | S243-K245 PolarHBondContact O-N 3.18Å; S243-K245 PolarHBondContact OG-N 3.14Å; K245-L247 VanDerWaalsContact C-N 3.27Å; K245-L247 PolarHBondContact O-N 3.48Å; K245-A248 PolarHBondContact O-N 3.03Å; K245-A248 VanDerWaalsContact O-N 3.1Å; K245-E249 WeakPolarHBondContact CE-OE1 3.2Å; K245-E249 IonicContact NZ-OE1 2.66Å; K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.21Å |
| 246 | D | 89.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 178.6 | -59.9 | -37.1 | 0 | 0 | 0 | 111.3 | D241 S243 Y250 | D241-D246 HydrophobicContact CB-CB 3.79Å; S243-D246 PolarHBondContact O-N 3.17Å; S243-D246 PolarHBondContact OG-N 3.31Å; S243-D246 VanDerWaalsContact OG-N 3.08Å; S243-D246 PolarHBondContact OG-OD2 3.15Å; D246-Y250 VanDerWaalsContact O-CB 3.29Å; D246-Y250 WeakPolarHBondContact O-CB 3.24Å; D246-Y250 PolarHBondContact O-N 3.19Å |
| 247 | L | 87.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 172.7 | 174.2 | 56.8 | 0 | 0 | 0 | 111.4 | F237 S243 K245 Y250 M251 F263 | F237-L247 HydrophobicContact CD1-CD1 4.34Å; F237-L247 HydrophobicContact CE1-CD1 3.56Å; F237-L247 HydrophobicContact CZ-CD1 4.32Å; S243-L247 PolarHBondContact O-N 3.15Å; K245-L247 VanDerWaalsContact C-N 3.27Å; K245-L247 PolarHBondContact O-N 3.48Å; L247-Y250 PolarHBondContact O-N 3.44Å; L247-M251 HydrophobicContact CD1-CE 4.38Å; L247-M251 HydrophobicContact CD1-CG 3.77Å; L247-M251 HydrophobicContact CD1-SD 4.38Å; L247-M251 HydrophobicContact CG-CG 4.31Å; L247-M251 WeakPolarHBondContact O-CB 3.17Å; L247-M251 VanDerWaalsContact O-CG 3.28Å; L247-M251 WeakPolarHBondContact O-CG 3.43Å; L247-M251 PolarHBondContact O-N 3.01Å; L247-F263 HydrophobicContact CD2-CB 3.86Å |
| 248 | A | 86.7 | Confident | 84.1 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A244 K245 Y250 M251 E252 | A244-A248 WeakPolarHBondContact O-CB 3.29Å; A244-A248 PolarHBondContact O-N 2.6Å; K245-A248 PolarHBondContact O-N 3.03Å; K245-A248 VanDerWaalsContact O-N 3.1Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 PolarHBondContact O-N 2.84Å; A248-M251 PolarHBondContact O-N 3.42Å; A248-E252 WeakPolarHBondContact O-CG 3.44Å; A248-E252 PolarHBondContact O-N 2.85Å |
| 249 | E | 86 | Confident | 84.5 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.3 | -71 | 178.1 | 179.7 | 0 | 0 | 111 | K245 M251 E252 D253 | K245-E249 WeakPolarHBondContact CE-OE1 3.2Å; K245-E249 IonicContact NZ-OE1 2.66Å; K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.21Å; E249-M251 PolarHBondContact O-N 3.19Å; E249-E252 PolarHBondContact O-N 3.49Å; E249-D253 PolarHBondContact O-N 2.84Å; E249-D253 VanDerWaalsContact O-N 3.12Å |
| 250 | Y | 86.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.1 | -170.6 | -157.1 | 0 | 0 | 0 | 113.2 | S207 C214 H215 T218 F237 D246 L247 A248 A254 | S207-Y250 WeakPolarHBondContact OG-CE1 3.27Å; S207-Y250 PolarHBondContact OG-OH 3Å; C214-Y250 PolarHBondContact O-OH 3.42Å; H215-Y250 AromaticContact CE1-CD2 3.39Å; H215-Y250 WeakPolarHBondContact CE1-CD2 3.49Å; H215-Y250 AromaticContact CE1-CE2 3.35Å; H215-Y250 WeakPolarHBondContact CE1-CE2 3.39Å; H215-Y250 AromaticContact CG-CE2 3.95Å; H215-Y250 AromaticContact ND1-CD2 3.92Å; H215-Y250 AromaticContact ND1-CE2 3.49Å; H215-Y250 WeakPolarHBondContact ND1-CE2 3.42Å; H215-Y250 AromaticContact NE2-CD2 3.9Å; H215-Y250 AromaticContact NE2-CE2 3.74Å; T218-Y250 PolarHBondContact OG1-OH 2.96Å; F237-Y250 HydrophobicContact CE2-CD1 4.34Å; F237-Y250 AromaticContact CE2-CE1 3.89Å; F237-Y250 HydrophobicContact CE2-CE1 3.89Å; F237-Y250 AromaticContact CZ-CD1 3.74Å; F237-Y250 HydrophobicContact CZ-CD1 3.74Å; F237-Y250 AromaticContact CZ-CE1 3.65Å; F237-Y250 HydrophobicContact CZ-CE1 3.65Å; D246-Y250 VanDerWaalsContact O-CB 3.29Å; D246-Y250 WeakPolarHBondContact O-CB 3.24Å; D246-Y250 PolarHBondContact O-N 3.19Å; L247-Y250 PolarHBondContact O-N 3.44Å; A248-Y250 VanDerWaalsContact C-N 3.31Å; A248-Y250 PolarHBondContact O-N 2.84Å; Y250-A254 HydrophobicContact CD2-CB 3.69Å; Y250-A254 HydrophobicContact CE2-CB 3.47Å; Y250-A254 VanDerWaalsContact CE2-CB 3.47Å; Y250-A254 WeakPolarHBondContact O-CB 3.43Å; Y250-A254 PolarHBondContact O-N 2.96Å |
| 251 | M | 83.9 | Confident | 84.9 | Confident | 22 Ų | 22 | 53.1 Ų | 53.1 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -49.4 | 173.7 | -70.8 | -58.8 | -136 | 0 | 0 | 109.9 | F237 L247 A248 E249 D253 A254 H255 F260 | F237-M251 HydrophobicContact CB-CE 4.46Å; F237-M251 HydrophobicContact CD1-CE 3.77Å; F237-M251 HydrophobicContact CD1-SD 4.36Å; F237-M251 HydrophobicContact CE1-CE 4.24Å; F237-M251 HydrophobicContact CE1-SD 4.37Å; F237-M251 HydrophobicContact CG-CE 4.14Å; L247-M251 HydrophobicContact CD1-CE 4.38Å; L247-M251 HydrophobicContact CD1-CG 3.77Å; L247-M251 HydrophobicContact CD1-SD 4.38Å; L247-M251 HydrophobicContact CG-CG 4.31Å; L247-M251 WeakPolarHBondContact O-CB 3.17Å; L247-M251 VanDerWaalsContact O-CG 3.28Å; L247-M251 WeakPolarHBondContact O-CG 3.43Å; L247-M251 PolarHBondContact O-N 3.01Å; A248-M251 PolarHBondContact O-N 3.42Å; E249-M251 PolarHBondContact O-N 3.19Å; M251-D253 VanDerWaalsContact C-N 3.28Å; M251-D253 PolarHBondContact O-N 2.89Å; M251-A254 PolarHBondContact O-N 3.45Å; M251-H255 HydrophobicContact CB-CB 4.35Å; M251-H255 WeakPolarHBondContact O-CB 3.21Å; M251-H255 PolarHBondContact O-N 3.41Å; M251-H255 PolarHBondContact O-ND1 3.34Å; M251-H255 HydrophobicContact SD-CB 3.97Å; M251-F260 HydrophobicContact CE-CB 3.3Å; M251-F260 HydrophobicContact CE-CD1 3.43Å; M251-F260 VanDerWaalsContact CE-CD1 3.43Å; M251-F260 HydrophobicContact CE-CD2 3.63Å; M251-F260 HydrophobicContact CE-CE1 4.06Å; M251-F260 HydrophobicContact CE-CE2 4.25Å; M251-F260 HydrophobicContact CE-CG 3.17Å; M251-F260 HydrophobicContact CE-CZ 4.43Å |
| 252 | E | 81.6 | Confident | 85 | Confident | 152 Ų | 152 | 53.8 Ų | 53.8 | 71% | 0.71 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -53.2 | -44.4 | 178.9 | -76.1 | 179.9 | -174.7 | 0 | 0 | 112.8 | A248 E249 | A248-E252 WeakPolarHBondContact O-CG 3.44Å; A248-E252 PolarHBondContact O-N 2.85Å; E249-E252 PolarHBondContact O-N 3.49Å |
| 253 | D | 73.3 | Confident | 84.9 | Confident | 140 Ų | 140 | 49 Ų | 49 | 75% | 0.749 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -83.2 | -31.3 | -174.5 | -74.1 | -19.1 | 0 | 0 | 0 | 114.3 | E249 M251 | E249-D253 PolarHBondContact O-N 2.84Å; E249-D253 VanDerWaalsContact O-N 3.12Å; M251-D253 VanDerWaalsContact C-N 3.28Å; M251-D253 PolarHBondContact O-N 2.89Å |
| 254 | A | 67.3 | Low | 84.5 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -130.1 | -0.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T218 Y250 M251 | T218-A254 HydrophobicContact CG2-CB 4.02Å; T218-A254 WeakPolarHBondContact CG2-O 3.16Å; Y250-A254 HydrophobicContact CD2-CB 3.69Å; Y250-A254 HydrophobicContact CE2-CB 3.47Å; Y250-A254 VanDerWaalsContact CE2-CB 3.47Å; Y250-A254 WeakPolarHBondContact O-CB 3.43Å; Y250-A254 PolarHBondContact O-N 2.96Å; M251-A254 PolarHBondContact O-N 3.45Å |
| 255 | H | 72.6 | Confident | 84.4 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 27% | 0.269 | 26% | 0.264 | S | S | . | . | trans | -66.4 | 144 | -172.3 | 73.2 | -80 | 0 | 0 | 0 | 114.5 | K222 M251 | K222-H255 WeakPolarHBondContact CD-O 3.47Å; K222-H255 WeakPolarHBondContact CE-O 3.33Å; K222-H255 PolarHBondContact NZ-O 3.34Å; M251-H255 HydrophobicContact CB-CB 4.35Å; M251-H255 WeakPolarHBondContact O-CB 3.21Å; M251-H255 PolarHBondContact O-N 3.41Å; M251-H255 PolarHBondContact O-ND1 3.34Å; M251-H255 HydrophobicContact SD-CB 3.97Å | ||
| 256 | G | 76.3 | Confident | 84 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -96.3 | 172.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W258 | G256-W258 PolarHBondContact O-N 3.47Š| ||
| 257 | D | 87.7 | Confident | 83.2 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73.5 | 21.6 | -178.4 | -75.1 | -6.4 | 0 | 0 | 0 | 114 | K182 Y225 | K182-D257 WeakPolarHBondContact CE-O 3.41Å; K182-D257 PolarHBondContact NZ-O 3.11Å; Y225-D257 HydrophobicContact CE1-CB 4.24Å |
| 258 | W | 88.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -87.6 | -179.1 | -176.7 | 51.5 | 56.1 | 0 | 0 | 0 | 113.5 | V183 T218 L221 K222 Y225 E234 I235 G256 | V183-W258 WeakPolarHBondContact CB-O 3.24Å; V183-W258 WeakPolarHBondContact CG2-O 3.35Å; V183-W258 PolarHBondContact N-O 3.06Å; V183-W258 VanDerWaalsContact N-O 3.13Å; T218-W258 HydrophobicContact CG2-CH2 4.01Å; T218-W258 HydrophobicContact CG2-CZ2 3.7Å; L221-W258 HydrophobicContact CB-CH2 3.84Å; L221-W258 HydrophobicContact CB-CZ3 3.93Å; L221-W258 HydrophobicContact CD2-CH2 4.15Å; L221-W258 HydrophobicContact CD2-CZ3 4.19Å; L221-W258 HydrophobicContact CG-CE3 4.46Å; L221-W258 HydrophobicContact CG-CH2 3.91Å; L221-W258 HydrophobicContact CG-CZ3 3.65Å; L221-W258 WeakPolarHBondContact O-CZ3 3.42Å; K222-W258 VanDerWaalsContact CA-CZ3 3.46Å; K222-W258 HydrophobicContact CB-CH2 4.04Å; K222-W258 HydrophobicContact CB-CZ3 4.21Å; K222-W258 VanDerWaalsContact N-CZ3 3.31Å; Y225-W258 HydrophobicContact CD1-CB 4.32Å; Y225-W258 HydrophobicContact CD1-CE3 4.15Å; Y225-W258 HydrophobicContact CD2-CB 4.32Å; Y225-W258 HydrophobicContact CD2-CE3 4.21Å; Y225-W258 HydrophobicContact CE1-CB 4.01Å; Y225-W258 HydrophobicContact CE2-CB 3.99Å; Y225-W258 HydrophobicContact CG-CB 4.46Å; Y225-W258 AromaticContact CG-CE3 3.76Å; Y225-W258 HydrophobicContact CG-CE3 3.76Å; Y225-W258 HydrophobicContact CG-CZ3 4.45Å; E234-W258 WeakPolarHBondContact OE1-CA 3.48Å; I235-W258 HydrophobicContact CB-CB 3.71Å; I235-W258 HydrophobicContact CB-CD2 4.15Å; I235-W258 HydrophobicContact CB-CE3 4.16Å; I235-W258 HydrophobicContact CB-CG 3.98Å; I235-W258 HydrophobicContact CD1-CD2 4.48Å; I235-W258 HydrophobicContact CD1-CE3 3.7Å; I235-W258 HydrophobicContact CD1-CZ3 4.04Å; I235-W258 HydrophobicContact CG2-CB 4.24Å; I235-W258 HydrophobicContact CG2-CD2 4Å; I235-W258 HydrophobicContact CG2-CE3 4.25Å; I235-W258 HydrophobicContact CG2-CG 3.99Å; I235-W258 WeakPolarHBondContact O-CB 3.4Å; G256-W258 PolarHBondContact O-N 3.47Å |
| 259 | S | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 158.8 | 173.9 | -77.2 | 0 | 0 | 0 | 0 | 112.6 | M181 Y196 E234 I235 V236 F237 | M181-S259 CarbonylContact O-C 3.59Å; M181-S259 WeakPolarHBondContact O-CA 3.45Å; M181-S259 WeakPolarHBondContact O-CB 3.08Å; Y196-S259 WeakPolarHBondContact CE1-OG 3.17Å; E234-S259 PolarHBondContact OE1-N 3.37Å; I235-S259 WeakPolarHBondContact O-CA 3.23Å; I235-S259 PolarHBondContact O-N 3.26Å; I235-S259 VanDerWaalsContact O-O 3.12Å; V236-S259 CarbonylContact C-O 3.57Å; V236-S259 WeakPolarHBondContact CA-O 3.49Å; F237-S259 PolarHBondContact N-O 3.1Å |
| 260 | F | 91.1 | Very high | 80.6 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 9% | 0.088 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.5 | 174 | 70.3 | -85 | 0 | 0 | 0 | 112.2 | M181 V183 T188 F237 M251 P262 | M181-F260 HydrophobicContact CB-CD1 3.77Å; M181-F260 HydrophobicContact CB-CD2 4.2Å; M181-F260 HydrophobicContact CB-CE1 3.33Å; M181-F260 HydrophobicContact CB-CE2 3.79Å; M181-F260 HydrophobicContact CB-CG 4.19Å; M181-F260 HydrophobicContact CB-CZ 3.34Å; M181-F260 HydrophobicContact CG-CE1 4.32Å; M181-F260 HydrophobicContact CG-CE2 4.01Å; M181-F260 HydrophobicContact CG-CZ 3.83Å; M181-F260 PolarHBondContact N-O 3.47Å; M181-F260 PolarHBondContact O-N 2.94Å; V183-F260 HydrophobicContact CG2-CD1 4.21Å; V183-F260 HydrophobicContact CG2-CE1 4.19Å; T188-F260 HydrophobicContact CG2-CE1 3.59Å; T188-F260 HydrophobicContact CG2-CZ 3.85Å; F237-F260 HydrophobicContact CB-CB 3.8Å; F237-F260 HydrophobicContact CD1-CB 4.13Å; F237-F260 HydrophobicContact CG-CB 4.39Å; F237-F260 VanDerWaalsContact O-CA 3.25Å; F237-F260 WeakPolarHBondContact O-CA 3.2Å; M251-F260 HydrophobicContact CE-CB 3.3Å; M251-F260 HydrophobicContact CE-CD1 3.43Å; M251-F260 VanDerWaalsContact CE-CD1 3.43Å; M251-F260 HydrophobicContact CE-CD2 3.63Å; M251-F260 HydrophobicContact CE-CE1 4.06Å; M251-F260 HydrophobicContact CE-CE2 4.25Å; M251-F260 HydrophobicContact CE-CG 3.17Å; M251-F260 HydrophobicContact CE-CZ 4.43Å; F260-P262 HydrophobicContact CE2-CG 4.41Å |
| 261 | I | 87.4 | Confident | 80.3 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.3 | 171.9 | -53.8 | 179.1 | 0 | 0 | 0 | 108 | T178 L180 V236 F237 V238 D265 A267 I268 | T178-I261 HydrophobicContact CG2-CD1 3.81Å; T178-I261 HydrophobicContact CG2-CG1 3.99Å; T178-I261 HydrophobicContact CG2-CG2 4.23Å; L180-I261 HydrophobicContact CD1-CG1 4.12Å; V236-I261 HydrophobicContact CG1-CD1 4.1Å; V236-I261 HydrophobicContact CG1-CG1 3.79Å; F237-I261 PolarHBondContact O-N 2.71Å; V238-I261 HydrophobicContact CG2-CD1 4.11Å; I261-D265 HydrophobicContact CG2-CB 3.5Å; I261-D265 VanDerWaalsContact CG2-CB 3.5Å; I261-A267 HydrophobicContact CD1-CB 4.36Å; I261-I268 HydrophobicContact CB-CD1 4.18Å; I261-I268 HydrophobicContact CB-CG1 4.19Å; I261-I268 HydrophobicContact CG2-CD1 3.81Å; I261-I268 HydrophobicContact CG2-CG1 3.67Å |
| 262 | P | 89.3 | Confident | 80.1 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 148.9 | 177.6 | -26.2 | 36.7 | 0 | 0 | 0 | 113 | H179 M181 F260 G264 D265 I268 | H179-P262 WeakPolarHBondContact O-CD 3.23Å; M181-P262 HydrophobicContact CG-CG 3.47Å; M181-P262 VanDerWaalsContact CG-CG 3.47Å; F260-P262 HydrophobicContact CE2-CG 4.41Å; P262-G264 PolarHBondContact O-N 3.16Å; P262-D265 WeakPolarHBondContact O-CB 3.27Å; P262-D265 PolarHBondContact O-N 3.09Å; P262-I268 WeakPolarHBondContact O-CD1 3.49Å |
| 263 | F | 87 | Confident | 80 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 38% | 0.377 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 135 | 174.1 | -174.7 | -87.7 | 0 | 0 | 0 | 111.5 | D241 K242 A244 L247 D265 | D241-F263 WeakPolarHBondContact O-CE2 3.41Å; K242-F263 VanDerWaalsContact C-CE2 3.49Å; K242-F263 WeakPolarHBondContact O-CZ 3.28Å; A244-F263 HydrophobicContact CB-CB 3.93Å; A244-F263 HydrophobicContact CB-CD1 3.9Å; A244-F263 HydrophobicContact CB-CG 4.05Å; L247-F263 HydrophobicContact CD2-CB 3.86Å; F263-D265 VanDerWaalsContact C-N 3.33Å |
| 264 | G | 82.2 | Confident | 80.4 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 3.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | P262 | P262-G264 PolarHBondContact O-N 3.16Š|
| 265 | D | 85.1 | Confident | 81.3 | Confident | 31 Ų | 31 | 56.1 Ų | 56.1 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | trans | -66.9 | 139.3 | 167.4 | -166.4 | -82.1 | 0 | 0 | 0 | 110.5 | H179 I261 P262 F263 A267 I268 | H179-D265 WeakPolarHBondContact CB-OD2 3.31Å; H179-D265 PolarHBondContact N-OD2 3.04Å; I261-D265 HydrophobicContact CG2-CB 3.5Å; I261-D265 VanDerWaalsContact CG2-CB 3.5Å; P262-D265 WeakPolarHBondContact O-CB 3.27Å; P262-D265 PolarHBondContact O-N 3.09Å; F263-D265 VanDerWaalsContact C-N 3.33Å; D265-A267 PolarHBondContact O-N 3.31Å; D265-A267 VanDerWaalsContact O-N 3.13Å; D265-A267 WeakPolarHBondContact OD1-CB 3.45Å; D265-A267 PolarHBondContact OD1-N 2.76Å; D265-I268 WeakPolarHBondContact O-CB 3.36Å; D265-I268 PolarHBondContact O-N 2.7Å | ||
| 266 | K | 82.1 | Confident | 81.9 | Confident | 174 Ų | 174 | 55.9 Ų | 55.9 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -63 | -19.7 | -178.8 | -65.1 | -175.7 | 178.4 | -176.6 | 0 | 113.3 | I268 E269 | K266-I268 PolarHBondContact O-N 3.08Å; K266-E269 PolarHBondContact O-N 2.74Å |
| 267 | A | 72.6 | Confident | 82.4 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -72 | -11.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T178 I261 D265 | T178-A267 HydrophobicContact CG2-CB 3.78Å; I261-A267 HydrophobicContact CD1-CB 4.36Å; D265-A267 PolarHBondContact O-N 3.31Å; D265-A267 VanDerWaalsContact O-N 3.13Å; D265-A267 WeakPolarHBondContact OD1-CB 3.45Å; D265-A267 PolarHBondContact OD1-N 2.76Å |
| 268 | I | 66.9 | Low | 81.9 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 19% | 0.19 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -86.4 | -23.4 | 177.1 | -58.6 | -178.1 | 0 | 0 | 0 | 111.7 | V238 I261 P262 D265 K266 | V238-I268 HydrophobicContact CG1-CG1 4.3Å; V238-I268 HydrophobicContact CG1-CG2 4.32Å; I261-I268 HydrophobicContact CB-CD1 4.18Å; I261-I268 HydrophobicContact CB-CG1 4.19Å; I261-I268 HydrophobicContact CG2-CD1 3.81Å; I261-I268 HydrophobicContact CG2-CG1 3.67Å; P262-I268 WeakPolarHBondContact O-CD1 3.49Å; D265-I268 WeakPolarHBondContact O-CB 3.36Å; D265-I268 PolarHBondContact O-N 2.7Å; K266-I268 PolarHBondContact O-N 3.08Å |
| 269 | E | 59.8 | Low | 81.3 | Confident | 224 Ų | 224 | 64.8 Ų | 64.8 | 100% | 1.047 | 35% | 0.35 | S | S | * | . | trans | -75.3 | 0 | 178.5 | -64.1 | -177 | 169.9 | 0 | 0 | 112.3 | K266 | K266-E269 PolarHBondContact O-N 2.74Š|
Retrieved 269 of 269 residues in 1218.8 ms
(Link to these results)