| 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 | 46 | Very low | 79 | Confident | 183 Ų | 183 | 42.5 Ų | 42.5 | 90% | 0.901 | 23% | 0.228 | S | C | * | . | 0 | 153.6 | 0 | -72.9 | 163.5 | 171.8 | 0 | 0 | 108.2 | |||||
| 2 | P | 59.6 | Low | 78.4 | Confident | 95 Ų | 95 | 42.8 Ų | 42.8 | 62% | 0.617 | 22% | 0.224 | S | C | * | . | trans | -60.3 | 151.2 | 168 | 28.8 | -35.3 | 0 | 0 | 0 | 110.1 | T4 | P2-T4 PolarHBondContact O-N 2.95Š| ||
| 3 | I | 73.4 | Confident | 78.2 | Confident | 110 Ų | 110 | 39.7 Ų | 39.7 | 56% | 0.564 | 21% | 0.209 | S | C | * | . | trans | -77.2 | 119.5 | 178.7 | -58.3 | 178.6 | 0 | 0 | 0 | 108.9 | S19 A21 | I3-S19 WeakPolarHBondContact CG2-OG 3.43Å; I3-A21 HydrophobicContact CG1-CB 4.16Å | ||
| 4 | T | 83.7 | Confident | 78.5 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | trans | -116.6 | 155.6 | 177.7 | 48 | 0 | 0 | 0 | 0 | 110.4 | P2 T20 D534 | P2-T4 PolarHBondContact O-N 2.95Å; T4-T20 PolarHBondContact N-OG1 2.86Å; T4-T20 PolarHBondContact O-N 3.09Å; T4-T20 PolarHBondContact O-OG1 3.22Å; T4-T20 WeakPolarHBondContact OG1-CG2 3.39Å; T4-T20 PolarHBondContact OG1-OG1 2.92Å; T4-D534 HydrophobicContact CG2-CB 3.78Å; T4-D534 PolarHBondContact OG1-N 3.42Å | ||
| 5 | L | 86.4 | Confident | 79.1 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130 | -176.6 | -61.9 | -172.1 | 0 | 0 | 0 | 111.4 | W7 L18 M59 G532 | L5-W7 HydrophobicContact CD1-CH2 4.41Å; L5-W7 HydrophobicContact CD1-CZ2 3.67Å; L5-L18 WeakPolarHBondContact CA-O 3.42Å; L5-M59 HydrophobicContact CD1-CE 3.86Å; L5-M59 HydrophobicContact CD1-SD 3.34Å; L5-M59 WeakPolarHBondContact CD1-SD 3.3Å; L5-M59 HydrophobicContact CD2-CE 4.48Å; L5-M59 HydrophobicContact CG-CE 3.87Å; L5-M59 HydrophobicContact CG-SD 3.83Å; L5-G532 CarbonylContact O-C 3.58Å |
| 6 | L | 89.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.8 | 156.2 | -175.3 | 65.5 | 0 | 0 | 0 | 108.1 | S17 L18 W25 W345 L353 V528 C533 W543 | L6-S17 CarbonylContact O-C 3.6Å; L6-S17 VanDerWaalsContact O-CA 3.3Å; L6-S17 WeakPolarHBondContact O-CA 3.47Å; L6-L18 HydrophobicContact CB-CB 4.36Å; L6-L18 PolarHBondContact N-O 2.89Å; L6-L18 PolarHBondContact O-N 3.26Å; L6-W25 HydrophobicContact CD2-CH2 4.02Å; L6-W25 HydrophobicContact CD2-CZ2 4.47Å; L6-W25 HydrophobicContact CG-CH2 4.32Å; L6-W345 HydrophobicContact CD1-CD2 3.74Å; L6-W345 HydrophobicContact CD1-CE3 4.05Å; L6-W345 HydrophobicContact CD1-CG 4.13Å; L6-W345 HydrophobicContact CD1-CZ2 4.28Å; L6-W345 HydrophobicContact CD1-CZ3 4.46Å; L6-W345 HydrophobicContact CD2-CD2 4.37Å; L6-W345 HydrophobicContact CD2-CE3 3.83Å; L6-W345 HydrophobicContact CD2-CH2 4.15Å; L6-W345 HydrophobicContact CD2-CZ3 3.7Å; L6-L353 HydrophobicContact CD2-CD2 4.18Å; L6-V528 HydrophobicContact CD1-CG2 3.66Å; L6-V528 HydrophobicContact CG-CG2 4.14Å; L6-C533 HydrophobicContact CB-CB 4.29Å; L6-C533 HydrophobicContact CD1-CB 4.31Å; L6-W543 HydrophobicContact CD2-CH2 4.23Å |
| 7 | W | 91.1 | Very high | 80.3 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.5 | 175.9 | -69.7 | 88.8 | 0 | 0 | 0 | 110.4 | L5 V15 V38 C45 N57 W174 V528 S529 | L5-W7 HydrophobicContact CD1-CH2 4.41Å; L5-W7 HydrophobicContact CD1-CZ2 3.67Å; W7-V15 HydrophobicContact CE3-CG1 3.84Å; W7-V15 HydrophobicContact CZ3-CG1 3.98Å; W7-V38 HydrophobicContact CB-CG2 4.11Å; W7-C45 HydrophobicContact CD2-CB 4.18Å; W7-C45 HydrophobicContact CG-CB 4.31Å; W7-C45 HydrophobicContact CZ2-CB 4.18Å; W7-N57 HydrophobicContact CH2-CB 4.3Å; W7-N57 HydrophobicContact CZ2-CB 4.46Å; W7-W174 AromaticContact CE3-CZ2 3.96Å; W7-W174 HydrophobicContact CE3-CZ2 3.96Å; W7-W174 HydrophobicContact CH2-CZ2 4.16Å; W7-W174 AromaticContact CZ3-CZ2 3.71Å; W7-W174 HydrophobicContact CZ3-CZ2 3.71Å; W7-W174 AromaticContact CZ3-NE1 3.88Å; W7-V528 CarbonylContact O-C 3.59Å; W7-V528 WeakPolarHBondContact O-CA 3.2Å; W7-V528 WeakPolarHBondContact O-CG2 3.5Å; W7-S529 PolarHBondContact N-O 3.46Å; W7-S529 VanDerWaalsContact N-O 3.09Å; W7-S529 PolarHBondContact O-N 2.86Å |
| 8 | A | 90.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 154.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y16 W25 W525 W527 | A8-Y16 PolarHBondContact N-O 2.8Å; A8-Y16 PolarHBondContact O-N 3.31Å; A8-W25 HydrophobicContact CB-CH2 3.63Å; A8-W25 HydrophobicContact CB-CZ3 3.72Å; A8-W525 HydrophobicContact CB-CD2 4.32Å; A8-W525 HydrophobicContact CB-CE3 3.58Å; A8-W525 HydrophobicContact CB-CH2 3.96Å; A8-W525 HydrophobicContact CB-CZ3 3.38Å; A8-W527 WeakPolarHBondContact CA-O 3.42Å |
| 9 | V | 88.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.7 | -179.4 | -171.2 | 0 | 0 | 0 | 0 | 108.6 | R14 L35 V38 A526 W527 | V9-R14 WeakPolarHBondContact CA-O 3.2Å; V9-L35 WeakPolarHBondContact CG1-O 3.35Å; V9-V38 HydrophobicContact CG2-CB 4.4Å; V9-V38 HydrophobicContact CG2-CG1 3.82Å; V9-V38 HydrophobicContact CG2-CG2 3.79Å; V9-A526 PolarHBondContact O-N 3.37Å; V9-W527 HydrophobicContact CB-CB 4.16Å; V9-W527 PolarHBondContact N-O 3.22Å; V9-W527 PolarHBondContact O-N 2.97Å |
| 10 | D | 84.5 | Confident | 80.9 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 170.9 | 177 | 78.1 | 2.2 | 0 | 0 | 0 | 112.4 | Y12 G13 R14 Y16 P523 V524 W525 | D10-Y12 PolarHBondContact O-N 3.44Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.27Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.3Å; D10-Y12 PolarHBondContact OD1-N 2.72Å; D10-G13 PolarHBondContact O-N 3.23Å; D10-G13 PolarHBondContact OD1-N 3.34Å; D10-R14 PolarHBondContact N-O 2.81Å; D10-R14 WeakPolarHBondContact OD1-CB 3.22Å; D10-R14 PolarHBondContact OD1-N 3.08Å; D10-R14 IonicContact OD1-NE 2.78Å; D10-R14 IonicContact OD2-CZ 3.33Å; D10-R14 IonicContact OD2-NE 3.42Å; D10-R14 PolarHBondContact OD2-NE 3.48Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 2.7Å; D10-Y16 HydrophobicContact CB-CE2 4.32Å; D10-P523 HydrophobicContact CB-CB 4.27Å; D10-V524 CarbonylContact C-O 3.52Å; D10-V524 VanDerWaalsContact CA-O 3.31Å; D10-V524 WeakPolarHBondContact CA-O 3.48Å; D10-V524 VanDerWaalsContact CB-O 3.3Å; D10-V524 WeakPolarHBondContact CB-O 2.93Å; D10-W525 HydrophobicContact CB-CE3 4.4Å |
| 11 | V | 75.5 | Confident | 80.6 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -14.8 | 178.5 | -66.5 | 0 | 0 | 0 | 0 | 114.4 | V524 A526 T1030 P1101 | V11-V524 HydrophobicContact CG1-CG1 4.05Å; V11-V524 HydrophobicContact CG2-CB 4.26Å; V11-V524 HydrophobicContact CG2-CG1 4.11Å; V11-V524 PolarHBondContact N-O 2.7Å; V11-A526 HydrophobicContact CG1-CB 3.99Å; V11-T1030 WeakPolarHBondContact O-CG2 3.46Å; V11-P1101 HydrophobicContact CG2-CB 3.59Å |
| 12 | Y | 72.5 | Confident | 81.7 | Confident | 47 Ų | 47 | 27 Ų | 27 | 18% | 0.184 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 5.3 | 176.9 | -60 | -67.2 | 0 | 0 | 0 | 112.9 | D10 R14 R1029 P1101 | D10-Y12 PolarHBondContact O-N 3.44Å; D10-Y12 WeakPolarHBondContact OD1-CA 3.27Å; D10-Y12 WeakPolarHBondContact OD1-CB 3.3Å; D10-Y12 PolarHBondContact OD1-N 2.72Å; Y12-R14 PolarHBondContact O-N 2.76Å; Y12-R1029 VanDerWaalsContact CD1-NH1 3.26Å; Y12-R1029 PolarHBondContact O-NH2 3.49Å; Y12-P1101 HydrophobicContact CE2-CB 4.15Å; Y12-P1101 HydrophobicContact CE2-CG 4.15Å; Y12-P1101 WeakPolarHBondContact OH-CD 3.37Å; Y12-P1101 WeakPolarHBondContact OH-CG 3.41Å |
| 13 | G | 75.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | 74.8 | 8.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D10 E34 L35 | D10-G13 PolarHBondContact O-N 3.23Å; D10-G13 PolarHBondContact OD1-N 3.34Å; G13-E34 CarbonylContact O-C 3.53Å; G13-E34 WeakPolarHBondContact O-CA 3.41Å; G13-L35 WeakPolarHBondContact CA-O 3.44Å; G13-L35 PolarHBondContact O-N 2.83Å | ||
| 14 | R | 82.9 | Confident | 82.6 | Confident | 31 Ų | 31 | 28.6 Ų | 28.6 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -77.4 | 130.7 | -178.5 | -57.9 | -179.8 | -63.3 | -152.9 | 2.4 | 109.3 | V9 D10 Y12 Y16 | V9-R14 WeakPolarHBondContact CA-O 3.2Å; D10-R14 PolarHBondContact N-O 2.81Å; D10-R14 WeakPolarHBondContact OD1-CB 3.22Å; D10-R14 PolarHBondContact OD1-N 3.08Å; D10-R14 IonicContact OD1-NE 2.78Å; D10-R14 IonicContact OD2-CZ 3.33Å; D10-R14 IonicContact OD2-NE 3.42Å; D10-R14 PolarHBondContact OD2-NE 3.48Å; D10-R14 IonicContact OD2-NH2 2.75Å; D10-R14 PolarHBondContact OD2-NH2 2.7Å; Y12-R14 PolarHBondContact O-N 2.76Å; R14-Y16 HydrophobicContact CB-CE2 3.81Å; R14-Y16 VanDerWaalsContact O-CD2 3.28Å; R14-Y16 WeakPolarHBondContact O-CD2 3.34Å; R14-Y16 WeakPolarHBondContact O-CE2 3.38Å |
| 15 | V | 87.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.3 | -172.6 | -166 | 0 | 0 | 0 | 0 | 111.1 | W7 R27 A28 L35 W174 | W7-V15 HydrophobicContact CE3-CG1 3.84Å; W7-V15 HydrophobicContact CZ3-CG1 3.98Å; V15-R27 WeakPolarHBondContact O-CA 3.28Å; V15-A28 HydrophobicContact CB-CB 4.2Å; V15-A28 PolarHBondContact O-N 2.98Å; V15-L35 HydrophobicContact CG1-CD1 4.39Å; V15-L35 HydrophobicContact CG2-CB 3.97Å; V15-L35 HydrophobicContact CG2-CD1 3.44Å; V15-L35 VanDerWaalsContact CG2-CD1 3.44Å; V15-L35 HydrophobicContact CG2-CG 3.53Å; V15-W174 HydrophobicContact CG1-CZ2 3.81Å |
| 16 | Y | 88.6 | Confident | 82.6 | Confident | 27 Ų | 27 | 30.2 Ų | 30.2 | 11% | 0.106 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.8 | 177.1 | -62.1 | -98.7 | 0 | 0 | 0 | 110.9 | A8 D10 R14 W25 V26 R27 P523 W525 | A8-Y16 PolarHBondContact N-O 2.8Å; A8-Y16 PolarHBondContact O-N 3.31Å; D10-Y16 HydrophobicContact CB-CE2 4.32Å; R14-Y16 HydrophobicContact CB-CE2 3.81Å; R14-Y16 VanDerWaalsContact O-CD2 3.28Å; R14-Y16 WeakPolarHBondContact O-CD2 3.34Å; R14-Y16 WeakPolarHBondContact O-CE2 3.38Å; Y16-W25 HydrophobicContact CD1-CB 4.45Å; Y16-V26 CarbonylContact C-O 3.43Å; Y16-V26 WeakPolarHBondContact CA-O 3.12Å; Y16-R27 HydrophobicContact CD1-CB 3.87Å; Y16-R27 HydrophobicContact CD1-CG 4.39Å; Y16-R27 HydrophobicContact CE1-CB 3.74Å; Y16-R27 HydrophobicContact CE1-CG 4.11Å; Y16-P523 HydrophobicContact CE2-CB 4.22Å; Y16-W525 AromaticContact CD2-CH2 3.95Å; Y16-W525 HydrophobicContact CD2-CH2 3.95Å; Y16-W525 AromaticContact CD2-CZ3 3.7Å; Y16-W525 HydrophobicContact CD2-CZ3 3.7Å; Y16-W525 HydrophobicContact CE2-CZ3 4.45Å; Y16-W525 AromaticContact CG-CH2 3.91Å; Y16-W525 HydrophobicContact CG-CH2 3.91Å; Y16-W525 HydrophobicContact CG-CZ3 4.08Å |
| 17 | S | 89.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.9 | 168.9 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | L6 W25 V26 | L6-S17 CarbonylContact O-C 3.6Å; L6-S17 VanDerWaalsContact O-CA 3.3Å; L6-S17 WeakPolarHBondContact O-CA 3.47Å; S17-W25 WeakPolarHBondContact O-CA 3.3Å; S17-V26 PolarHBondContact N-O 2.84Å; S17-V26 PolarHBondContact O-N 3.05Å |
| 18 | L | 87.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.9 | 174.7 | 176.6 | 60.8 | 0 | 0 | 0 | 108.6 | L5 L6 R24 W25 V372 A374 W543 | L5-L18 WeakPolarHBondContact CA-O 3.42Å; L6-L18 HydrophobicContact CB-CB 4.36Å; L6-L18 PolarHBondContact N-O 2.89Å; L6-L18 PolarHBondContact O-N 3.26Å; L18-R24 WeakPolarHBondContact CD1-O 3.35Å; L18-W25 HydrophobicContact CB-CD2 3.84Å; L18-W25 HydrophobicContact CB-CE3 3.59Å; L18-W25 HydrophobicContact CB-CH2 3.8Å; L18-W25 HydrophobicContact CB-CZ2 4.01Å; L18-W25 HydrophobicContact CB-CZ3 3.58Å; L18-W25 HydrophobicContact CD2-CD2 4.45Å; L18-W25 HydrophobicContact CD2-CH2 4.31Å; L18-W25 HydrophobicContact CD2-CZ2 3.8Å; L18-V372 HydrophobicContact CD2-CG1 3.99Å; L18-A374 HydrophobicContact CD1-CB 3.77Å; L18-A374 HydrophobicContact CD2-CB 3.94Å; L18-W543 HydrophobicContact CD2-CD2 3.63Å; L18-W543 HydrophobicContact CD2-CE3 3.93Å; L18-W543 HydrophobicContact CD2-CG 4.11Å; L18-W543 HydrophobicContact CD2-CH2 4.07Å; L18-W543 HydrophobicContact CD2-CZ2 3.78Å; L18-W543 HydrophobicContact CD2-CZ3 4.13Å; L18-W543 HydrophobicContact CG-CD2 4.34Å; L18-W543 HydrophobicContact CG-CZ2 3.95Å |
| 19 | S | 84.9 | Confident | 80.8 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 137.3 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | I3 A21 G22 W543 | I3-S19 WeakPolarHBondContact CG2-OG 3.43Å; S19-A21 PolarHBondContact O-N 3.29Å; S19-A21 PolarHBondContact OG-N 3.07Å; S19-A21 VanDerWaalsContact OG-N 3.14Å; S19-G22 PolarHBondContact O-N 2.6Å; S19-G22 PolarHBondContact OG-N 2.97Å; S19-W543 PolarHBondContact O-NE1 3.41Å |
| 20 | T | 80.9 | Confident | 79.9 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.184 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.9 | 171.1 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | T4 V535 I541 W543 | T4-T20 PolarHBondContact N-OG1 2.86Å; T4-T20 PolarHBondContact O-N 3.09Å; T4-T20 PolarHBondContact O-OG1 3.22Å; T4-T20 WeakPolarHBondContact OG1-CG2 3.39Å; T4-T20 PolarHBondContact OG1-OG1 2.92Å; T20-V535 HydrophobicContact CG2-CG2 4.38Å; T20-I541 HydrophobicContact CG2-CD1 4.35Å; T20-W543 HydrophobicContact CG2-CZ2 4.43Å |
| 21 | A | 74.6 | Confident | 78.7 | Confident | 77 Ų | 77 | 46.8 Ų | 46.8 | 64% | 0.636 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I3 S19 | I3-A21 HydrophobicContact CG1-CB 4.16Å; S19-A21 PolarHBondContact O-N 3.29Å; S19-A21 PolarHBondContact OG-N 3.07Å; S19-A21 VanDerWaalsContact OG-N 3.14Å |
| 22 | G | 69.7 | Low | 78.1 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | trans | -105.6 | 170.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S19 W543 | S19-G22 PolarHBondContact O-N 2.6Å; S19-G22 PolarHBondContact OG-N 2.97Å; G22-W543 PolarHBondContact O-NE1 3.38Å | ||
| 23 | Q | 70.7 | Confident | 78.2 | Confident | 104 Ų | 104 | 48.3 Ų | 48.3 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -120.6 | 11.7 | 172.1 | -70 | -174.2 | -12.6 | 0 | 0 | 112.5 | Q375 S542 | Q23-Q375 PolarHBondContact O-N 3.02Å; Q23-S542 WeakPolarHBondContact CG-OG 3.14Å; Q23-S542 PolarHBondContact NE2-OG 3.18Å |
| 24 | R | 81.4 | Confident | 78.4 | Confident | 135 Ų | 135 | 50.4 Ų | 50.4 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.7 | -171.8 | -75.2 | 176.4 | -174.5 | 173 | 1.7 | 112.7 | L18 Q375 | L18-R24 WeakPolarHBondContact CD1-O 3.35Å; R24-Q375 WeakPolarHBondContact CA-O 3.47Å; R24-Q375 HydrophobicContact CG-CB 3.69Å |
| 25 | W | 83.9 | Confident | 78.5 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130 | 164.9 | -74.3 | 102.3 | 0 | 0 | 0 | 110.1 | L6 A8 Y16 S17 L18 L353 V372 Q375 W376 W525 | L6-W25 HydrophobicContact CD2-CH2 4.02Å; L6-W25 HydrophobicContact CD2-CZ2 4.47Å; L6-W25 HydrophobicContact CG-CH2 4.32Å; A8-W25 HydrophobicContact CB-CH2 3.63Å; A8-W25 HydrophobicContact CB-CZ3 3.72Å; Y16-W25 HydrophobicContact CD1-CB 4.45Å; S17-W25 WeakPolarHBondContact O-CA 3.3Å; L18-W25 HydrophobicContact CB-CD2 3.84Å; L18-W25 HydrophobicContact CB-CE3 3.59Å; L18-W25 HydrophobicContact CB-CH2 3.8Å; L18-W25 HydrophobicContact CB-CZ2 4.01Å; L18-W25 HydrophobicContact CB-CZ3 3.58Å; L18-W25 HydrophobicContact CD2-CD2 4.45Å; L18-W25 HydrophobicContact CD2-CH2 4.31Å; L18-W25 HydrophobicContact CD2-CZ2 3.8Å; W25-L353 HydrophobicContact CH2-CD2 3.83Å; W25-L353 HydrophobicContact CZ2-CD2 3.54Å; W25-V372 HydrophobicContact CZ2-CG1 4.34Å; W25-Q375 PolarHBondContact N-O 3.08Å; W25-Q375 VanDerWaalsContact N-O 3.09Å; W25-W376 HydrophobicContact CB-CE3 3.9Å; W25-W376 HydrophobicContact CB-CZ3 3.66Å; W25-W376 AromaticContact CD1-CE3 3.95Å; W25-W376 AromaticContact CD1-CH2 3.51Å; W25-W376 AromaticContact CD1-CZ3 3.13Å; W25-W376 HydrophobicContact CG-CE3 4.23Å; W25-W376 HydrophobicContact CG-CH2 4.29Å; W25-W376 AromaticContact CG-CZ3 3.53Å; W25-W376 HydrophobicContact CG-CZ3 3.53Å; W25-W376 AromaticContact NE1-CH2 3.96Å; W25-W376 AromaticContact NE1-CZ3 3.97Å; W25-W525 AromaticContact CD2-CH2 3.94Å; W25-W525 HydrophobicContact CD2-CH2 3.94Å; W25-W525 HydrophobicContact CD2-CZ2 4.03Å; W25-W525 AromaticContact CE2-CZ2 3.74Å; W25-W525 AromaticContact CE3-CH2 3.97Å; W25-W525 HydrophobicContact CE3-CH2 3.97Å; W25-W525 HydrophobicContact CE3-CZ2 4.47Å; W25-W525 HydrophobicContact CH2-CH2 4.28Å; W25-W525 HydrophobicContact CH2-CZ2 4.39Å; W25-W525 HydrophobicContact CZ2-CH2 4.25Å; W25-W525 AromaticContact CZ2-CZ2 3.95Å; W25-W525 HydrophobicContact CZ2-CZ2 3.95Å; W25-W525 HydrophobicContact CZ3-CH2 4.14Å |
| 26 | V | 84.4 | Confident | 78.1 | Confident | 75 Ų | 75 | 49.9 Ų | 49.9 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.1 | 176 | -178.3 | 0 | 0 | 0 | 0 | 108 | Y16 S17 | Y16-V26 CarbonylContact C-O 3.43Å; Y16-V26 WeakPolarHBondContact CA-O 3.12Å; S17-V26 PolarHBondContact N-O 2.84Å; S17-V26 PolarHBondContact O-N 3.05Å |
| 27 | R | 82.9 | Confident | 78.1 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 144 | 170.3 | -172.1 | -179.4 | 168.8 | -177.8 | -3.3 | 109.2 | V15 Y16 L31 | V15-R27 WeakPolarHBondContact O-CA 3.28Å; Y16-R27 HydrophobicContact CD1-CB 3.87Å; Y16-R27 HydrophobicContact CD1-CG 4.39Å; Y16-R27 HydrophobicContact CE1-CB 3.74Å; Y16-R27 HydrophobicContact CE1-CG 4.11Å; R27-L31 PolarHBondContact NH2-O 3.36Å |
| 28 | A | 80.8 | Confident | 78.2 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | trans | -56.5 | 142.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V15 D30 | V15-A28 HydrophobicContact CB-CB 4.2Å; V15-A28 PolarHBondContact O-N 2.98Å; A28-D30 PolarHBondContact O-N 2.8Å | ||
| 29 | D | 70.1 | Confident | 78.4 | Confident | 103 Ų | 103 | 48.5 Ų | 48.5 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -64.5 | -22.1 | -175.8 | -67.9 | -41.5 | 0 | 0 | 0 | 112.8 | L31 K380 | D29-L31 PolarHBondContact O-N 3.27Å; D29-K380 IonicContact OD1-NZ 2.8Å; D29-K380 PolarHBondContact OD1-NZ 2.71Å; D29-K380 VanDerWaalsContact OD1-NZ 3.17Å; D29-K380 IonicContact OD2-NZ 3.45Å; D29-K380 PolarHBondContact OD2-NZ 3.2Å |
| 30 | D | 69 | Low | 78.6 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | -82.4 | 106 | 171.4 | -170.6 | -10.9 | 0 | 0 | 0 | 111.1 | A28 L32 L33 | A28-D30 PolarHBondContact O-N 2.8Å; D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 3.14Å; D30-L32 WeakPolarHBondContact OD1-CB 3.41Å; D30-L32 PolarHBondContact OD1-N 3.12Å; D30-L33 HydrophobicContact CB-CB 4.04Å; D30-L33 PolarHBondContact OD1-N 3.46Å | ||
| 31 | L | 59.9 | Low | 78.8 | Confident | 92 Ų | 92 | 46 Ų | 46 | 48% | 0.482 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.8 | 178.9 | -63.5 | 176.6 | 0 | 0 | 0 | 114 | R27 D29 | R27-L31 PolarHBondContact NH2-O 3.36Å; D29-L31 PolarHBondContact O-N 3.27Å |
| 32 | L | 62.9 | Low | 79 | Confident | 85 Ų | 85 | 49.9 Ų | 49.9 | 45% | 0.445 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.4 | -177.1 | -58.4 | -177.8 | 0 | 0 | 0 | 113.4 | D30 E34 Q933 | D30-L32 VanDerWaalsContact C-N 3.26Å; D30-L32 PolarHBondContact O-N 3.14Å; D30-L32 WeakPolarHBondContact OD1-CB 3.41Å; D30-L32 PolarHBondContact OD1-N 3.12Å; L32-E34 PolarHBondContact O-N 2.81Å; L32-Q933 HydrophobicContact CD2-CB 3.56Å; L32-Q933 WeakPolarHBondContact CD2-O 3.24Å |
| 33 | L | 75.6 | Confident | 79.4 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -74.7 | 110.6 | 178.4 | -175.1 | 63.9 | 0 | 0 | 0 | 110.9 | D30 L35 Y55 W174 | D30-L33 HydrophobicContact CB-CB 4.04Å; D30-L33 PolarHBondContact OD1-N 3.46Å; L33-L35 HydrophobicContact CD1-CD2 3.72Å; L33-L35 HydrophobicContact CD1-CG 4.47Å; L33-L35 HydrophobicContact CD2-CD1 4.45Å; L33-L35 HydrophobicContact CD2-CD2 4.13Å; L33-L35 HydrophobicContact CD2-CG 4.28Å; L33-L35 HydrophobicContact CG-CD2 3.88Å; L33-L35 HydrophobicContact CG-CG 4.1Å; L33-Y55 HydrophobicContact CD1-CD1 3.77Å; L33-Y55 HydrophobicContact CD1-CD2 4.12Å; L33-Y55 HydrophobicContact CD1-CE1 3.51Å; L33-Y55 HydrophobicContact CD1-CE2 3.92Å; L33-Y55 HydrophobicContact CD1-CG 4.05Å; L33-Y55 HydrophobicContact CD2-CD1 4.36Å; L33-W174 HydrophobicContact CD2-CB 3.38Å; L33-W174 HydrophobicContact CD2-CD2 4.01Å; L33-W174 HydrophobicContact CD2-CG 3.4Å | ||
| 34 | E | 79.4 | Confident | 80.2 | Confident | 46 Ų | 46 | 46.7 Ų | 46.7 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 121.3 | 167.7 | -58.9 | -176.5 | 165.3 | 0 | 0 | 109.1 | G13 L32 G49 C50 R1029 | G13-E34 CarbonylContact O-C 3.53Å; G13-E34 WeakPolarHBondContact O-CA 3.41Å; L32-E34 PolarHBondContact O-N 2.81Å; E34-G49 CarbonylContact O-C 3.53Å; E34-G49 WeakPolarHBondContact O-CA 3.48Å; E34-C50 HydrophobicContact CB-CB 3.9Å; E34-C50 VanDerWaalsContact CB-SG 3.52Å; E34-C50 PolarHBondContact O-N 2.82Å; E34-R1029 IonicContact OE1-CZ 3.09Å; E34-R1029 IonicContact OE1-NE 3.18Å; E34-R1029 PolarHBondContact OE1-NE 3.22Å; E34-R1029 IonicContact OE1-NH2 2.7Å; E34-R1029 PolarHBondContact OE1-NH2 2.86Å |
| 35 | L | 83.3 | Confident | 80.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.5 | 173.7 | -58.7 | -175.3 | 0 | 0 | 0 | 110.6 | V9 G13 V15 L33 V38 I48 Y55 W174 | V9-L35 WeakPolarHBondContact CG1-O 3.35Å; G13-L35 WeakPolarHBondContact CA-O 3.44Å; G13-L35 PolarHBondContact O-N 2.83Å; V15-L35 HydrophobicContact CG1-CD1 4.39Å; V15-L35 HydrophobicContact CG2-CB 3.97Å; V15-L35 HydrophobicContact CG2-CD1 3.44Å; V15-L35 VanDerWaalsContact CG2-CD1 3.44Å; V15-L35 HydrophobicContact CG2-CG 3.53Å; L33-L35 HydrophobicContact CD1-CD2 3.72Å; L33-L35 HydrophobicContact CD1-CG 4.47Å; L33-L35 HydrophobicContact CD2-CD1 4.45Å; L33-L35 HydrophobicContact CD2-CD2 4.13Å; L33-L35 HydrophobicContact CD2-CG 4.28Å; L33-L35 HydrophobicContact CG-CD2 3.88Å; L33-L35 HydrophobicContact CG-CG 4.1Å; L35-V38 HydrophobicContact CB-CG1 4.49Å; L35-V38 HydrophobicContact CD1-CG1 3.55Å; L35-I48 CarbonylContact C-O 3.59Å; L35-I48 VanDerWaalsContact CA-O 3.28Å; L35-I48 WeakPolarHBondContact CA-O 3.34Å; L35-Y55 HydrophobicContact CD2-CD2 3.98Å; L35-Y55 HydrophobicContact CD2-CG 4.27Å; L35-W174 HydrophobicContact CD1-CD2 4.35Å; L35-W174 HydrophobicContact CD1-CE3 4.31Å; L35-W174 HydrophobicContact CD1-CH2 3.85Å; L35-W174 HydrophobicContact CD1-CZ2 3.92Å; L35-W174 HydrophobicContact CD1-CZ3 4.06Å |
| 36 | K | 81 | Confident | 81.1 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -37.6 | 175.4 | -58.7 | -173.3 | 178.9 | -169.5 | 0 | 112.2 | I48 G49 C50 H52 P1049 | K36-I48 HydrophobicContact CB-CG2 4.5Å; K36-I48 HydrophobicContact CD-CG2 4.1Å; K36-I48 HydrophobicContact CG-CG2 4.4Å; K36-I48 PolarHBondContact N-O 2.9Å; K36-G49 WeakPolarHBondContact CE-O 3.49Å; K36-C50 VanDerWaalsContact CE-CA 3.5Å; K36-H52 PolarHBondContact NZ-CE1 2.83Å; K36-H52 PolarHBondContact NZ-ND1 2.74Å; K36-H52 PolarHBondContact NZ-NE2 3.03Å; K36-P1049 HydrophobicContact CB-CB 3.69Å; K36-P1049 HydrophobicContact CG-CB 3.94Å |
| 37 | R | 86.9 | Confident | 81.3 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 160 | -178.9 | 63.5 | 177.9 | 94.4 | -149.8 | 6.5 | 110.1 | G47 I48 C190 D191 W527 | R37-G47 VanDerWaalsContact O-CA 3.3Å; R37-G47 WeakPolarHBondContact O-CA 3.15Å; R37-I48 HydrophobicContact CG-CD1 4.43Å; R37-I48 PolarHBondContact O-N 3.42Å; R37-C190 PolarHBondContact NE-O 2.86Å; R37-C190 PolarHBondContact NH2-O 3.34Å; R37-D191 WeakPolarHBondContact CD-OD1 3.49Å; R37-D191 IonicContact CZ-OD1 2.74Å; R37-D191 IonicContact NE-OD1 3.43Å; R37-D191 PolarHBondContact NE-OD1 3.03Å; R37-D191 VanDerWaalsContact NH1-CG 3.29Å; R37-D191 IonicContact NH1-OD1 2.63Å; R37-D191 PolarHBondContact NH1-OD1 3.29Å; R37-D191 IonicContact NH2-OD1 3.03Å; R37-W527 HydrophobicContact CB-CD2 3.8Å; R37-W527 HydrophobicContact CB-CE3 4.19Å; R37-W527 HydrophobicContact CB-CG 4.19Å; R37-W527 HydrophobicContact CB-CH2 4.42Å; R37-W527 HydrophobicContact CB-CZ2 4.06Å; R37-W527 HydrophobicContact CB-CZ3 4.48Å |
| 38 | V | 92.3 | Very high | 81.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150.7 | 175.1 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | W7 V9 L35 W46 W174 W527 S529 | W7-V38 HydrophobicContact CB-CG2 4.11Å; V9-V38 HydrophobicContact CG2-CB 4.4Å; V9-V38 HydrophobicContact CG2-CG1 3.82Å; V9-V38 HydrophobicContact CG2-CG2 3.79Å; L35-V38 HydrophobicContact CB-CG1 4.49Å; L35-V38 HydrophobicContact CD1-CG1 3.55Å; V38-W46 CarbonylContact C-O 3.59Å; V38-W46 VanDerWaalsContact CA-O 3.27Å; V38-W46 WeakPolarHBondContact CA-O 3.4Å; V38-W174 HydrophobicContact CG1-CH2 3.98Å; V38-W174 HydrophobicContact CG1-CZ2 4.36Å; V38-W527 PolarHBondContact O-NE1 2.83Å; V38-S529 WeakPolarHBondContact O-CB 3.19Å |
| 39 | T | 92 | Very high | 81.6 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.3 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | W46 I192 C194 L209 | T39-W46 HydrophobicContact CG2-CB 3.99Å; T39-W46 PolarHBondContact N-O 2.99Å; T39-W46 PolarHBondContact O-N 3.15Å; T39-I192 HydrophobicContact CG2-CB 4.44Å; T39-I192 HydrophobicContact CG2-CD1 3.83Å; T39-I192 HydrophobicContact CG2-CG1 3.94Å; T39-C194 HydrophobicContact CG2-CB 4.11Å; T39-C194 PolarHBondContact OG1-N 3.22Å; T39-C194 PolarHBondContact OG1-SG 2.84Å; T39-L209 HydrophobicContact CG2-CD1 4.35Å |
| 40 | A | 89.9 | Confident | 81.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S529 G531 G532 | A40-S529 PolarHBondContact N-OG 3.17Å; A40-G531 CarbonylContact O-C 3.58Å; A40-G531 WeakPolarHBondContact O-CA 3.29Å; A40-G532 PolarHBondContact O-N 3.4Å |
| 41 | G | 84.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | -176.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G43 R44 G532 | G41-G43 PolarHBondContact O-N 3.48Å; G41-R44 CarbonylContact C-O 3.44Å; G41-R44 PolarHBondContact N-O 3.47Å; G41-R44 PolarHBondContact O-N 2.85Å; G41-G532 VanDerWaalsContact O-CA 3.29Å; G41-G532 WeakPolarHBondContact O-CA 3.43Å |
| 42 | K | 79 | Confident | 82.4 | Confident | 159 Ų | 159 | 22.6 Ų | 22.6 | 69% | 0.691 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 99 | -174.6 | -162.7 | 167 | -170.9 | 164.3 | 0 | 112.7 | ||
| 43 | G | 78.5 | Confident | 83.2 | Confident | 36 Ų | 36 | 19.7 Ų | 19.7 | 37% | 0.371 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 10.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G41 M59 | G41-G43 PolarHBondContact O-N 3.48Å; G43-M59 WeakPolarHBondContact O-CB 3.3Å; G43-M59 WeakPolarHBondContact O-CG 3.36Å; G43-M59 PolarHBondContact O-N 2.89Å |
| 44 | R | 87.1 | Confident | 83.7 | Confident | 24 Ų | 24 | 19.3 Ų | 19.3 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.9 | -178.8 | -65.6 | -179.6 | 178.9 | -179.6 | -2.9 | 110.6 | G41 W46 L56 N57 I58 H225 | G41-R44 CarbonylContact C-O 3.44Å; G41-R44 PolarHBondContact N-O 3.47Å; G41-R44 PolarHBondContact O-N 2.85Å; R44-W46 HydrophobicContact CB-CE3 4.39Å; R44-W46 HydrophobicContact CB-CH2 3.76Å; R44-W46 HydrophobicContact CB-CZ2 4.42Å; R44-W46 HydrophobicContact CB-CZ3 3.74Å; R44-W46 HydrophobicContact CG-CH2 4.38Å; R44-L56 HydrophobicContact CB-CD1 4.4Å; R44-N57 WeakPolarHBondContact CA-O 3.34Å; R44-I58 HydrophobicContact CG-CG2 4.43Å; R44-H225 PolarHBondContact NH2-O 2.76Å |
| 45 | C | 91 | Very high | 84.2 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.3 | 173.1 | -164 | 0 | 0 | 0 | 0 | 109.8 | W7 L56 N57 W174 | W7-C45 HydrophobicContact CD2-CB 4.18Å; W7-C45 HydrophobicContact CG-CB 4.31Å; W7-C45 HydrophobicContact CZ2-CB 4.18Å; C45-L56 CarbonylContact O-C 3.44Å; C45-L56 WeakPolarHBondContact O-CA 3.33Å; C45-N57 PolarHBondContact N-O 2.92Å; C45-N57 PolarHBondContact O-N 3.08Å; C45-W174 HydrophobicContact CB-CH2 3.94Å; C45-W174 HydrophobicContact CB-CZ2 4.49Å; C45-W174 WeakPolarHBondContact O-CZ3 3.15Å |
| 46 | W | 91.9 | Very high | 84.5 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 153.9 | 173.6 | -66.2 | -98.2 | 0 | 0 | 0 | 109.9 | V38 T39 R44 Y55 L56 I192 C194 P207 L209 | V38-W46 CarbonylContact C-O 3.59Å; V38-W46 VanDerWaalsContact CA-O 3.27Å; V38-W46 WeakPolarHBondContact CA-O 3.4Å; T39-W46 HydrophobicContact CG2-CB 3.99Å; T39-W46 PolarHBondContact N-O 2.99Å; T39-W46 PolarHBondContact O-N 3.15Å; R44-W46 HydrophobicContact CB-CE3 4.39Å; R44-W46 HydrophobicContact CB-CH2 3.76Å; R44-W46 HydrophobicContact CB-CZ2 4.42Å; R44-W46 HydrophobicContact CB-CZ3 3.74Å; R44-W46 HydrophobicContact CG-CH2 4.38Å; W46-Y55 CarbonylContact C-O 3.56Å; W46-Y55 VanDerWaalsContact CA-O 3.28Å; W46-Y55 WeakPolarHBondContact CA-O 3.48Å; W46-L56 HydrophobicContact CD2-CD1 4.17Å; W46-L56 HydrophobicContact CG-CD1 4.35Å; W46-L56 HydrophobicContact CZ2-CD1 4.24Å; W46-I192 HydrophobicContact CB-CD1 3.84Å; W46-C194 HydrophobicContact CE3-CB 3.71Å; W46-C194 HydrophobicContact CZ3-CB 3.77Å; W46-P207 HydrophobicContact CH2-CB 4.29Å; W46-P207 HydrophobicContact CH2-CG 4.01Å; W46-L209 HydrophobicContact CB-CD1 4.16Å; W46-L209 HydrophobicContact CD2-CD1 4.27Å; W46-L209 HydrophobicContact CG-CD1 4Å; W46-L209 HydrophobicContact CG-CD2 4.2Å |
| 47 | G | 90.6 | Very high | 85 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 151.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R37 I54 Y55 | R37-G47 VanDerWaalsContact O-CA 3.3Å; R37-G47 WeakPolarHBondContact O-CA 3.15Å; G47-I54 CarbonylContact O-C 3.12Å; G47-I54 WeakPolarHBondContact O-CA 3.31Å; G47-Y55 PolarHBondContact N-O 3.19Å; G47-Y55 PolarHBondContact O-N 2.65Å |
| 48 | I | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.9 | 167.9 | -70.7 | 163.3 | 0 | 0 | 0 | 108.3 | L35 K36 R37 L189 D191 I192 | L35-I48 CarbonylContact C-O 3.59Å; L35-I48 VanDerWaalsContact CA-O 3.28Å; L35-I48 WeakPolarHBondContact CA-O 3.34Å; K36-I48 HydrophobicContact CB-CG2 4.5Å; K36-I48 HydrophobicContact CD-CG2 4.1Å; K36-I48 HydrophobicContact CG-CG2 4.4Å; K36-I48 PolarHBondContact N-O 2.9Å; R37-I48 HydrophobicContact CG-CD1 4.43Å; R37-I48 PolarHBondContact O-N 3.42Å; I48-L189 HydrophobicContact CD1-CB 4.2Å; I48-D191 VanDerWaalsContact CD1-CA 3.46Å; I48-I192 HydrophobicContact CD1-CB 4.32Å; I48-I192 HydrophobicContact CD1-CG1 4Å; I48-I192 HydrophobicContact CD1-CG2 3.95Å; I48-I192 HydrophobicContact CG1-CD1 4.12Å; I48-I192 HydrophobicContact CG1-CG1 3.94Å; I48-I192 HydrophobicContact CG1-CG2 4.01Å |
| 49 | G | 81.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 157.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | E34 K36 D51 H52 H53 | E34-G49 CarbonylContact O-C 3.53Å; E34-G49 WeakPolarHBondContact O-CA 3.48Å; K36-G49 WeakPolarHBondContact CE-O 3.49Å; G49-D51 PolarHBondContact O-N 2.81Å; G49-H52 WeakPolarHBondContact O-CA 3.46Å; G49-H52 PolarHBondContact O-N 3.11Å; G49-H53 PolarHBondContact N-O 2.72Å |
| 50 | C | 73.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 24.7 Ų | 24.7 | 12% | 0.122 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.4 | 165.2 | -78.1 | 0 | 0 | 0 | 0 | 112.3 | E34 K36 H52 A983 | E34-C50 HydrophobicContact CB-CB 3.9Å; E34-C50 VanDerWaalsContact CB-SG 3.52Å; E34-C50 PolarHBondContact O-N 2.82Å; K36-C50 VanDerWaalsContact CE-CA 3.5Å; C50-H52 PolarHBondContact O-N 2.88Å; C50-A983 HydrophobicContact CB-CB 3.86Å |
| 51 | D | 69.1 | Low | 83.5 | Confident | 38 Ų | 38 | 28 Ų | 28 | 20% | 0.203 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 7 | 172.4 | 81 | -24.1 | 0 | 0 | 0 | 114.6 | G49 H53 Y55 K176 | G49-D51 PolarHBondContact O-N 2.81Å; D51-H53 PolarHBondContact O-N 2.88Å; D51-H53 PolarHBondContact O-ND1 2.84Å; D51-H53 WeakPolarHBondContact OD1-CB 3.3Å; D51-H53 IonicContact OD1-CG 3.15Å; D51-H53 PolarHBondContact OD1-N 3.19Å; D51-H53 IonicContact OD1-ND1 3.72Å; D51-H53 IonicContact OD2-CE1 2.76Å; D51-H53 IonicContact OD2-CG 3.68Å; D51-H53 IonicContact OD2-ND1 3.92Å; D51-H53 PolarHBondContact OD2-ND1 2.82Å; D51-H53 VanDerWaalsContact OD2-ND1 3.09Å; D51-Y55 PolarHBondContact OD2-OH 2.88Å; D51-K176 IonicContact OD2-NZ 2.71Å; D51-K176 PolarHBondContact OD2-NZ 2.84Å |
| 52 | H | 73.2 | Confident | 82.8 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 7% | 0.069 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 63.7 | 12.7 | -177.7 | -56.3 | -102.8 | 0 | 0 | 0 | 116.7 | K36 G49 C50 P188 | K36-H52 PolarHBondContact NZ-CE1 2.83Å; K36-H52 PolarHBondContact NZ-ND1 2.74Å; K36-H52 PolarHBondContact NZ-NE2 3.03Å; G49-H52 WeakPolarHBondContact O-CA 3.46Å; G49-H52 PolarHBondContact O-N 3.11Å; C50-H52 PolarHBondContact O-N 2.88Å; H52-P188 HydrophobicContact CB-CB 3.47Å; H52-P188 VanDerWaalsContact CB-CB 3.47Å; H52-P188 VanDerWaalsContact CG-CB 3.44Å; H52-P188 WeakPolarHBondContact ND1-CB 3.24Å |
| 53 | H | 79 | Confident | 82.8 | Confident | 24 Ų | 24 | 35 Ų | 35 | 11% | 0.111 | 20% | 0.198 | C | C | . | . | trans | -93.2 | 161.5 | 173.4 | -64.5 | 68.6 | 0 | 0 | 0 | 111.5 | G49 D51 Y55 K176 L179 | G49-H53 PolarHBondContact N-O 2.72Å; D51-H53 PolarHBondContact O-N 2.88Å; D51-H53 PolarHBondContact O-ND1 2.84Å; D51-H53 WeakPolarHBondContact OD1-CB 3.3Å; D51-H53 IonicContact OD1-CG 3.15Å; D51-H53 PolarHBondContact OD1-N 3.19Å; D51-H53 IonicContact OD1-ND1 3.72Å; D51-H53 IonicContact OD2-CE1 2.76Å; D51-H53 IonicContact OD2-CG 3.68Å; D51-H53 IonicContact OD2-ND1 3.92Å; D51-H53 PolarHBondContact OD2-ND1 2.82Å; D51-H53 VanDerWaalsContact OD2-ND1 3.09Å; H53-Y55 HydrophobicContact CB-CE2 4.16Å; H53-K176 HydrophobicContact CB-CD 4.4Å; H53-K176 VanDerWaalsContact CB-CE 3.5Å; H53-K176 HydrophobicContact CB-CG 4.43Å; H53-K176 WeakPolarHBondContact CD2-CE 3.49Å; H53-K176 PolarHBondContact CD2-NZ 2.94Å; H53-K176 PolarHBondContact ND1-NZ 3.41Å; H53-K176 PolarHBondContact NE2-NZ 3.3Å; H53-L179 WeakPolarHBondContact CD2-CD1 3.38Å | ||
| 54 | I | 86.6 | Confident | 82.9 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 134.9 | 177.9 | -49.4 | 172.5 | 0 | 0 | 0 | 109.3 | G47 I177 L189 W234 | G47-I54 CarbonylContact O-C 3.12Å; G47-I54 WeakPolarHBondContact O-CA 3.31Å; I54-I177 HydrophobicContact CB-CB 4.42Å; I54-I177 HydrophobicContact CG2-CD1 4.01Å; I54-I177 PolarHBondContact O-N 3.48Å; I54-L189 HydrophobicContact CD1-CD1 3.6Å; I54-L189 HydrophobicContact CG1-CD1 4.04Å; I54-W234 HydrophobicContact CD1-CH2 4.06Å; I54-W234 HydrophobicContact CD1-CZ2 3.33Å |
| 55 | Y | 88.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 35.4 Ų | 35.4 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.3 | 174.5 | -67.1 | -103.3 | 0 | 0 | 0 | 110.6 | L33 L35 W46 G47 D51 H53 W174 A175 K176 | L33-Y55 HydrophobicContact CD1-CD1 3.77Å; L33-Y55 HydrophobicContact CD1-CD2 4.12Å; L33-Y55 HydrophobicContact CD1-CE1 3.51Å; L33-Y55 HydrophobicContact CD1-CE2 3.92Å; L33-Y55 HydrophobicContact CD1-CG 4.05Å; L33-Y55 HydrophobicContact CD2-CD1 4.36Å; L35-Y55 HydrophobicContact CD2-CD2 3.98Å; L35-Y55 HydrophobicContact CD2-CG 4.27Å; W46-Y55 CarbonylContact C-O 3.56Å; W46-Y55 VanDerWaalsContact CA-O 3.28Å; W46-Y55 WeakPolarHBondContact CA-O 3.48Å; G47-Y55 PolarHBondContact N-O 3.19Å; G47-Y55 PolarHBondContact O-N 2.65Å; D51-Y55 PolarHBondContact OD2-OH 2.88Å; H53-Y55 HydrophobicContact CB-CE2 4.16Å; Y55-W174 HydrophobicContact CD1-CB 4.45Å; Y55-A175 CarbonylContact C-O 3.58Å; Y55-A175 WeakPolarHBondContact CA-O 3.21Å; Y55-K176 HydrophobicContact CD1-CB 4.05Å; Y55-K176 HydrophobicContact CE1-CB 3.78Å; Y55-K176 HydrophobicContact CE1-CD 4.23Å; Y55-K176 HydrophobicContact CE1-CG 4.17Å |
| 56 | L | 91 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.1 | 179.3 | 164.7 | 61.5 | 0 | 0 | 0 | 110 | R44 C45 W46 I58 A175 I177 P229 E230 | R44-L56 HydrophobicContact CB-CD1 4.4Å; C45-L56 CarbonylContact O-C 3.44Å; C45-L56 WeakPolarHBondContact O-CA 3.33Å; W46-L56 HydrophobicContact CD2-CD1 4.17Å; W46-L56 HydrophobicContact CG-CD1 4.35Å; W46-L56 HydrophobicContact CZ2-CD1 4.24Å; L56-I58 HydrophobicContact CD1-CG1 3.99Å; L56-I58 HydrophobicContact CD2-CD1 4.19Å; L56-I58 HydrophobicContact CD2-CG1 4.13Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; L56-A175 PolarHBondContact N-O 2.93Å; L56-A175 WeakPolarHBondContact O-CB 3.42Å; L56-A175 PolarHBondContact O-N 3.37Å; L56-I177 HydrophobicContact CB-CD1 4Å; L56-I177 HydrophobicContact CB-CG1 4.16Å; L56-P229 HydrophobicContact CD2-CB 4.21Å; L56-P229 WeakPolarHBondContact CD2-O 3.31Å; L56-E230 HydrophobicContact CD2-CG 4.26Å |
| 57 | N | 90.8 | Very high | 82.6 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.4 | 165.2 | -163.3 | -56 | 0 | 0 | 0 | 109.4 | W7 R44 C45 G172 T173 W174 | W7-N57 HydrophobicContact CH2-CB 4.3Å; W7-N57 HydrophobicContact CZ2-CB 4.46Å; R44-N57 WeakPolarHBondContact CA-O 3.34Å; C45-N57 PolarHBondContact N-O 2.92Å; C45-N57 PolarHBondContact O-N 3.08Å; N57-G172 PolarHBondContact ND2-O 3.47Å; N57-G172 VanDerWaalsContact ND2-O 3.17Å; N57-T173 WeakPolarHBondContact CA-O 3.32Å; N57-T173 PolarHBondContact ND2-O 2.81Å; N57-W174 HydrophobicContact CB-CD2 3.7Å; N57-W174 HydrophobicContact CB-CE3 3.79Å; N57-W174 HydrophobicContact CB-CG 4.24Å; N57-W174 HydrophobicContact CB-CH2 4.2Å; N57-W174 HydrophobicContact CB-CZ2 4.07Å; N57-W174 HydrophobicContact CB-CZ3 4.06Å |
| 58 | I | 87.7 | Confident | 82.6 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129.7 | 174.4 | -50.7 | -179.1 | 0 | 0 | 0 | 107.7 | R44 L56 I65 Y168 G172 P229 | R44-I58 HydrophobicContact CG-CG2 4.43Å; L56-I58 HydrophobicContact CD1-CG1 3.99Å; L56-I58 HydrophobicContact CD2-CD1 4.19Å; L56-I58 HydrophobicContact CD2-CG1 4.13Å; L56-I58 HydrophobicContact CG-CG1 3.92Å; I58-I65 HydrophobicContact CD1-CD1 4.06Å; I58-I65 HydrophobicContact CG2-CD1 4.41Å; I58-Y168 HydrophobicContact CD1-CD1 4.06Å; I58-Y168 HydrophobicContact CD1-CE1 3.44Å; I58-Y168 VanDerWaalsContact CD1-CE1 3.44Å; I58-Y168 HydrophobicContact CG1-CE1 4.24Å; I58-G172 PolarHBondContact O-N 2.74Å; I58-P229 HydrophobicContact CD1-CB 3.42Å; I58-P229 VanDerWaalsContact CD1-CB 3.42Å; I58-P229 HydrophobicContact CD1-CG 3.51Å |
| 59 | M | 82.9 | Confident | 82.7 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | trans | -55.6 | 136.1 | 175.4 | -72.3 | -62.4 | -71.4 | 0 | 0 | 111.2 | L5 G43 S61 | L5-M59 HydrophobicContact CD1-CE 3.86Å; L5-M59 HydrophobicContact CD1-SD 3.34Å; L5-M59 WeakPolarHBondContact CD1-SD 3.3Å; L5-M59 HydrophobicContact CD2-CE 4.48Å; L5-M59 HydrophobicContact CG-CE 3.87Å; L5-M59 HydrophobicContact CG-SD 3.83Å; G43-M59 WeakPolarHBondContact O-CB 3.3Å; G43-M59 WeakPolarHBondContact O-CG 3.36Å; G43-M59 PolarHBondContact O-N 2.89Å; M59-S61 PolarHBondContact O-N 2.94Å | ||
| 60 | P | 81.1 | Confident | 83.2 | Confident | 92 Ų | 92 | 53 Ų | 53 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | trans | -54.1 | 136.3 | 175.1 | -26.8 | 35.3 | 0 | 0 | 0 | 112.2 | ||||
| 61 | S | 77.8 | Confident | 84 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | trans | -132.7 | 145.7 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | M59 T63 Q171 | M59-S61 PolarHBondContact O-N 2.94Å; S61-T63 PolarHBondContact O-N 2.84Å; S61-T63 PolarHBondContact OG-N 3.41Å; S61-Q171 PolarHBondContact O-OE1 3.39Å | ||
| 62 | E | 70.6 | Confident | 85 | Confident | 204 Ų | 204 | 50.7 Ų | 50.7 | 95% | 0.953 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -61.3 | -22.7 | 169.6 | -60.8 | -178.5 | 166.9 | 0 | 0 | 112 | ||
| 63 | T | 77.3 | Confident | 85.9 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 64% | 0.638 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -91.2 | 110.1 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111 | S61 I65 | S61-T63 PolarHBondContact O-N 2.84Å; S61-T63 PolarHBondContact OG-N 3.41Å; T63-I65 PolarHBondContact O-N 2.82Å |
| 64 | S | 81.6 | Confident | 86.5 | Confident | 41 Ų | 41 | 49.8 Ų | 49.8 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | trans | -61 | 124.5 | 170.7 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | R66 | S64-R66 PolarHBondContact O-N 2.87Š| ||
| 65 | I | 86.2 | Confident | 86.8 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | trans | -69.8 | 116.2 | 174.4 | -67.5 | 167.5 | 0 | 0 | 0 | 108.7 | I58 T63 W116 R167 Y168 P226 P229 | I58-I65 HydrophobicContact CD1-CD1 4.06Å; I58-I65 HydrophobicContact CG2-CD1 4.41Å; T63-I65 PolarHBondContact O-N 2.82Å; I65-W116 HydrophobicContact CG2-CH2 4.1Å; I65-R167 WeakPolarHBondContact O-CA 3.49Å; I65-Y168 PolarHBondContact O-N 2.93Å; I65-P226 WeakPolarHBondContact CG2-O 3.37Å; I65-P229 HydrophobicContact CD1-CG 4.42Å | ||
| 66 | R | 88.7 | Confident | 86.8 | Confident | 124 Ų | 124 | 51.4 Ų | 51.4 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 137.7 | 179 | -72.6 | 174.4 | 164.7 | 153.3 | -1.7 | 110.8 | S64 E119 R166 R227 | S64-R66 PolarHBondContact O-N 2.87Å; R66-E119 WeakPolarHBondContact CD-OE2 3.47Å; R66-E119 IonicContact CZ-OE1 3.62Å; R66-E119 IonicContact CZ-OE2 2.73Å; R66-E119 IonicContact NE-OE1 3.66Å; R66-E119 PolarHBondContact NE-OE1 2.88Å; R66-E119 IonicContact NE-OE2 2.7Å; R66-E119 PolarHBondContact NE-OE2 3.13Å; R66-E119 IonicContact NH2-OE1 2.59Å; R66-E119 PolarHBondContact NH2-OE1 2.89Å; R66-E119 IonicContact NH2-OE2 2.82Å; R66-R166 WeakPolarHBondContact CA-O 3.31Å; R66-R227 WeakPolarHBondContact O-CG 3.35Å |
| 67 | Y | 88.3 | Confident | 86.7 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 30% | 0.302 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.1 | 168.3 | -172.1 | -88.8 | 0 | 0 | 0 | 109.9 | E69 Y165 R166 R227 V228 | Y67-E69 WeakPolarHBondContact CD1-OE1 3.46Å; Y67-Y165 WeakPolarHBondContact O-CA 3.34Å; Y67-R166 HydrophobicContact CD1-CG 4.39Å; Y67-R166 PolarHBondContact N-O 3.35Å; Y67-R166 PolarHBondContact O-N 2.9Å; Y67-R227 HydrophobicContact CD2-CB 3.9Å; Y67-R227 WeakPolarHBondContact CD2-O 3.45Å; Y67-V228 HydrophobicContact CD2-CG2 3.59Å; Y67-V228 HydrophobicContact CE2-CG2 3.63Å |
| 68 | R | 90.6 | Very high | 86.4 | Confident | 99 Ų | 99 | 58.3 Ų | 58.3 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 111.7 | -177.1 | -168.9 | 179.7 | 88.2 | 179.4 | 2.8 | 109.1 | E70 I163 Y165 | R68-E70 IonicContact CZ-OE2 2.8Å; R68-E70 IonicContact NE-OE2 3.68Å; R68-E70 PolarHBondContact NE-OE2 3.03Å; R68-E70 IonicContact NH2-OE2 3.58Å; R68-E70 PolarHBondContact NH2-OE2 2.88Å; R68-I163 HydrophobicContact CG-CG2 3.6Å; R68-Y165 HydrophobicContact CB-CD1 4.03Å; R68-Y165 HydrophobicContact CB-CE1 3.69Å; R68-Y165 HydrophobicContact CG-CD1 4.18Å; R68-Y165 HydrophobicContact CG-CE1 3.63Å |
| 69 | E | 90.1 | Very high | 85.9 | Confident | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 145.6 | 164.1 | -51.9 | -58.1 | 163.8 | 0 | 0 | 109.5 | Y67 F109 W118 W122 I163 R164 R166 | Y67-E69 WeakPolarHBondContact CD1-OE1 3.46Å; E69-F109 HydrophobicContact CB-CD1 4.08Å; E69-F109 HydrophobicContact CB-CE1 4.09Å; E69-F109 HydrophobicContact CG-CD1 4.04Å; E69-F109 HydrophobicContact CG-CE1 4.46Å; E69-W118 HydrophobicContact CG-CH2 3.75Å; E69-W118 HydrophobicContact CG-CZ3 3.62Å; E69-W122 HydrophobicContact CB-CH2 3.61Å; E69-W122 HydrophobicContact CB-CZ2 4.35Å; E69-W122 HydrophobicContact CB-CZ3 4.17Å; E69-I163 WeakPolarHBondContact O-CA 3.33Å; E69-R164 HydrophobicContact CB-CB 4.49Å; E69-R164 PolarHBondContact N-O 2.82Å; E69-R164 PolarHBondContact O-N 2.9Å; E69-R164 VanDerWaalsContact O-N 3.14Å; E69-R166 WeakPolarHBondContact OE1-CD 3.45Å; E69-R166 IonicContact OE1-CZ 3.56Å; E69-R166 IonicContact OE1-NE 3.39Å; E69-R166 IonicContact OE1-NH1 2.96Å; E69-R166 PolarHBondContact OE1-NH1 2.98Å |
| 70 | E | 91.6 | Very high | 85.8 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 145.6 | 168.4 | 63.8 | -175.5 | -105.2 | 0 | 0 | 111.5 | R68 Y72 R161 W162 I163 | R68-E70 IonicContact CZ-OE2 2.8Å; R68-E70 IonicContact NE-OE2 3.68Å; R68-E70 PolarHBondContact NE-OE2 3.03Å; R68-E70 IonicContact NH2-OE2 3.58Å; R68-E70 PolarHBondContact NH2-OE2 2.88Å; E70-Y72 HydrophobicContact CG-CE2 4.3Å; E70-Y72 WeakPolarHBondContact OE1-CE2 3.47Å; E70-Y72 PolarHBondContact OE1-OH 3.35Å; E70-R161 HydrophobicContact CB-CG 4.48Å; E70-W162 VanDerWaalsContact CA-O 3.24Å; E70-W162 WeakPolarHBondContact CA-O 3.27Å; E70-I163 HydrophobicContact CB-CG1 4.1Å |
| 71 | T | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.6 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | W95 S96 Q104 L106 F109 W122 W162 | T71-W95 HydrophobicContact CG2-CE3 4.04Å; T71-W95 HydrophobicContact CG2-CZ3 4.22Å; T71-S96 PolarHBondContact OG1-O 2.81Å; T71-Q104 PolarHBondContact OG1-O 2.98Å; T71-L106 HydrophobicContact CG2-CD2 3.59Å; T71-F109 HydrophobicContact CG2-CE2 4.12Å; T71-F109 HydrophobicContact CG2-CZ 4.46Å; T71-W122 HydrophobicContact CG2-CE3 4.46Å; T71-W122 HydrophobicContact CG2-CH2 3.95Å; T71-W122 HydrophobicContact CG2-CZ3 3.9Å; T71-W162 HydrophobicContact CG2-CB 4.1Å; T71-W162 PolarHBondContact N-O 2.91Å; T71-W162 PolarHBondContact O-N 2.97Å |
| 72 | Y | 90.1 | Very high | 86 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.1 | -174.5 | -65.1 | -99.7 | 0 | 0 | 0 | 109.7 | E70 N74 W95 S96 V98 R159 R160 R161 | E70-Y72 HydrophobicContact CG-CE2 4.3Å; E70-Y72 WeakPolarHBondContact OE1-CE2 3.47Å; E70-Y72 PolarHBondContact OE1-OH 3.35Å; Y72-N74 PolarHBondContact O-ND2 2.88Å; Y72-W95 CarbonylContact O-C 3.14Å; Y72-W95 WeakPolarHBondContact O-CA 3.49Å; Y72-S96 PolarHBondContact N-O 2.56Å; Y72-S96 PolarHBondContact O-N 3.41Å; Y72-V98 HydrophobicContact CD2-CB 4.32Å; Y72-V98 HydrophobicContact CE2-CB 3.73Å; Y72-V98 HydrophobicContact CE2-CG2 4.03Å; Y72-R159 HydrophobicContact CD1-CG 4.48Å; Y72-R160 WeakPolarHBondContact CA-O 3.43Å; Y72-R161 HydrophobicContact CD1-CB 4.21Å; Y72-R161 HydrophobicContact CE1-CB 3.9Å; Y72-R161 HydrophobicContact CE1-CG 4.13Å; Y72-R161 VanDerWaalsContact OH-CD 3.29Å; Y72-R161 WeakPolarHBondContact OH-CD 3.3Å |
| 73 | E | 91.9 | Very high | 86.8 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 9% | 0.089 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 122.1 | 170.6 | -176.9 | -171.5 | 168 | 0 | 0 | 108.7 | Q75 P94 W95 W137 R159 R160 W162 | E73-Q75 PolarHBondContact OE1-NE2 3.27Å; E73-P94 CarbonylContact C-O 3.54Å; E73-P94 WeakPolarHBondContact CA-O 3.48Å; E73-W95 HydrophobicContact CB-CD2 4.35Å; E73-W95 HydrophobicContact CB-CE3 3.99Å; E73-W95 HydrophobicContact CB-CH2 3.75Å; E73-W95 HydrophobicContact CB-CZ2 4.13Å; E73-W95 HydrophobicContact CB-CZ3 3.68Å; E73-W95 HydrophobicContact CG-CD2 4.49Å; E73-W95 HydrophobicContact CG-CH2 3.84Å; E73-W95 HydrophobicContact CG-CZ2 3.75Å; E73-W95 HydrophobicContact CG-CZ3 4.26Å; E73-W137 HydrophobicContact CB-CH2 4.46Å; E73-W137 VanDerWaalsContact CD-CH2 3.46Å; E73-W137 HydrophobicContact CG-CH2 3.87Å; E73-W137 WeakPolarHBondContact OE1-CH2 3.33Å; E73-R159 CarbonylContact O-C 3.41Å; E73-R159 WeakPolarHBondContact O-CA 3.3Å; E73-R160 HydrophobicContact CB-CB 4.36Å; E73-R160 VanDerWaalsContact CD-NH2 3.27Å; E73-R160 PolarHBondContact N-O 2.87Å; E73-R160 PolarHBondContact O-N 3.18Å; E73-R160 IonicContact OE1-CZ 2.72Å; E73-R160 IonicContact OE1-NH2 3.16Å; E73-R160 PolarHBondContact OE1-NH2 2.98Å; E73-R160 IonicContact OE2-CZ 3.09Å; E73-R160 IonicContact OE2-NE 2.72Å; E73-R160 PolarHBondContact OE2-NE 3.19Å; E73-R160 IonicContact OE2-NH2 2.65Å; E73-R160 PolarHBondContact OE2-NH2 3.14Å; E73-W162 PolarHBondContact OE2-NE1 2.95Å |
| 74 | N | 91 | Very high | 87.2 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.2 | -173.3 | -65.5 | -56.8 | 0 | 0 | 0 | 111.2 | Y72 L87 W93 P94 S96 F143 R159 | Y72-N74 PolarHBondContact O-ND2 2.88Å; N74-L87 HydrophobicContact CB-CD1 4.03Å; N74-W93 PolarHBondContact ND2-O 3Å; N74-P94 PolarHBondContact N-O 3.02Å; N74-S96 WeakPolarHBondContact ND2-CB 3.41Å; N74-S96 PolarHBondContact ND2-OG 3.04Å; N74-F143 HydrophobicContact CB-CE1 3.75Å; N74-F143 HydrophobicContact CB-CZ 3.98Å; N74-R159 WeakPolarHBondContact OD1-CB 3.36Å |
| 75 | Q | 92 | Very high | 87.2 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 143 | 180 | -67 | -178 | -1.3 | 0 | 0 | 112.2 | E73 F83 T84 W137 V157 R158 | E73-Q75 PolarHBondContact OE1-NE2 3.27Å; Q75-F83 HydrophobicContact CB-CB 4.4Å; Q75-T84 CarbonylContact C-O 3.53Å; Q75-T84 VanDerWaalsContact CA-O 3.23Å; Q75-T84 WeakPolarHBondContact CA-O 3.36Å; Q75-T84 VanDerWaalsContact CB-O 3.31Å; Q75-T84 WeakPolarHBondContact CB-O 3.36Å; Q75-W137 VanDerWaalsContact CD-CH2 3.41Å; Q75-W137 HydrophobicContact CG-CH2 3.94Å; Q75-W137 HydrophobicContact CG-CZ3 4.29Å; Q75-V157 WeakPolarHBondContact O-CA 3.14Å; Q75-R158 HydrophobicContact CB-CG 3.93Å; Q75-R158 PolarHBondContact N-O 2.96Å; Q75-R158 PolarHBondContact O-N 3.36Å; Q75-R158 VanDerWaalsContact OE1-CZ 3.24Å |
| 76 | R | 90.1 | Very high | 87 | Confident | 43 Ų | 43 | 60.1 Ų | 60.1 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.4 | 178.3 | 171.5 | 171.4 | -75 | -80.8 | 4.1 | 110.5 | F83 T84 L87 D91 | R76-F83 CarbonylContact O-C 3.57Å; R76-F83 WeakPolarHBondContact O-CA 3.41Å; R76-T84 PolarHBondContact N-O 3.14Å; R76-T84 PolarHBondContact O-N 3.12Å; R76-L87 HydrophobicContact CB-CD2 3.51Å; R76-L87 VanDerWaalsContact N-CD2 3.33Å; R76-D91 IonicContact CZ-OD1 3.02Å; R76-D91 IonicContact CZ-OD2 3.12Å; R76-D91 IonicContact NE-OD1 3.17Å; R76-D91 IonicContact NE-OD2 3.96Å; R76-D91 PolarHBondContact NE-OD2 3.18Å; R76-D91 IonicContact NH2-OD1 2.73Å; R76-D91 PolarHBondContact NH2-OD1 3.14Å; R76-D91 IonicContact NH2-OD2 2.71Å; R76-D91 PolarHBondContact NH2-OD2 3.13Å |
| 77 | W | 88.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 55.6 Ų | 55.6 | 41% | 0.405 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.5 | 172.1 | -173.7 | 82.3 | 0 | 0 | 0 | 111.3 | P79 G82 F83 C156 | W77-P79 HydrophobicContact CH2-CB 4.06Å; W77-P79 HydrophobicContact CH2-CG 4.04Å; W77-P79 HydrophobicContact CZ3-CB 4.41Å; W77-P79 HydrophobicContact CZ3-CG 3.89Å; W77-G82 CarbonylContact C-O 3.12Å; W77-G82 WeakPolarHBondContact CA-O 3.25Å; W77-F83 HydrophobicContact CB-CD1 3.84Å; W77-F83 HydrophobicContact CB-CE1 3.65Å; W77-F83 HydrophobicContact CB-CG 4.39Å; W77-F83 HydrophobicContact CB-CZ 4.04Å; W77-C156 PolarHBondContact N-O 3.32Å |
| 78 | N | 83.3 | Confident | 86.6 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.251 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.3 | 176.1 | -70.5 | -44.3 | 0 | 0 | 0 | 109.9 | V80 G82 T84 | N78-V80 PolarHBondContact O-N 2.98Å; N78-V80 VanDerWaalsContact O-N 3.14Å; N78-G82 PolarHBondContact N-O 3.14Å; N78-G82 WeakPolarHBondContact O-CA 3.45Å; N78-G82 PolarHBondContact O-N 2.79Å; N78-G82 VanDerWaalsContact O-N 3.08Å; N78-T84 PolarHBondContact ND2-OG1 3.12Å |
| 79 | P | 78.5 | Confident | 86.1 | Confident | 110 Ų | 110 | 58 Ų | 58 | 71% | 0.714 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -15.1 | -173.8 | -24.1 | 34.5 | 0 | 0 | 0 | 116.7 | W77 | W77-P79 HydrophobicContact CH2-CB 4.06Å; W77-P79 HydrophobicContact CH2-CG 4.04Å; W77-P79 HydrophobicContact CZ3-CB 4.41Å; W77-P79 HydrophobicContact CZ3-CG 3.89Å |
| 80 | V | 80.1 | Confident | 85.6 | Confident | 127 Ų | 127 | 63 Ų | 63 | 77% | 0.77 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -57.9 | -176.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | N78 | N78-V80 PolarHBondContact O-N 2.98Å; N78-V80 VanDerWaalsContact O-N 3.14Å |
| 81 | D | 77.3 | Confident | 85.2 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 66% | 0.658 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -2.9 | -169.5 | -49.7 | -78.2 | 0 | 0 | 0 | 113.8 | T84 | D81-T84 HydrophobicContact CB-CG2 3.63Š|
| 82 | G | 86.7 | Confident | 84.9 | Confident | 21 Ų | 21 | 64.4 Ų | 64.4 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.4 | -133.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W77 N78 | W77-G82 CarbonylContact C-O 3.12Å; W77-G82 WeakPolarHBondContact CA-O 3.25Å; N78-G82 PolarHBondContact N-O 3.14Å; N78-G82 WeakPolarHBondContact O-CA 3.45Å; N78-G82 PolarHBondContact O-N 2.79Å; N78-G82 VanDerWaalsContact O-N 3.08Å |
| 83 | F | 86.1 | Confident | 84.7 | Confident | 31 Ų | 31 | 70.6 Ų | 70.6 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.4 | 179.6 | -76.7 | -77.6 | 0 | 0 | 0 | 111.4 | Q75 R76 W77 Y139 K151 S155 R158 | Q75-F83 HydrophobicContact CB-CB 4.4Å; R76-F83 CarbonylContact O-C 3.57Å; R76-F83 WeakPolarHBondContact O-CA 3.41Å; W77-F83 HydrophobicContact CB-CD1 3.84Å; W77-F83 HydrophobicContact CB-CE1 3.65Å; W77-F83 HydrophobicContact CB-CG 4.39Å; W77-F83 HydrophobicContact CB-CZ 4.04Å; F83-Y139 HydrophobicContact CD2-CE1 4.49Å; F83-Y139 HydrophobicContact CE1-CD1 4.49Å; F83-Y139 HydrophobicContact CE2-CD1 4.14Å; F83-Y139 AromaticContact CE2-CE1 3.71Å; F83-Y139 HydrophobicContact CE2-CE1 3.71Å; F83-Y139 AromaticContact CZ-CD1 3.74Å; F83-Y139 HydrophobicContact CZ-CD1 3.74Å; F83-Y139 AromaticContact CZ-CE1 3.78Å; F83-Y139 HydrophobicContact CZ-CE1 3.78Å; F83-K151 HydrophobicContact CE2-CD 4.39Å; F83-S155 WeakPolarHBondContact CZ-O 3.46Å; F83-R158 HydrophobicContact CB-CG 4.47Å; F83-R158 HydrophobicContact CD1-CB 4.21Å; F83-R158 HydrophobicContact CD1-CG 3.56Å; F83-R158 HydrophobicContact CE1-CB 3.93Å; F83-R158 HydrophobicContact CE1-CG 3.82Å; F83-R158 HydrophobicContact CG-CG 3.99Å; F83-R158 HydrophobicContact CZ-CB 4.37Å; F83-R158 HydrophobicContact CZ-CG 4.45Å |
| 84 | T | 85.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 13% | 0.129 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 157.8 | -178.9 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | Q75 R76 N78 D81 V86 | Q75-T84 CarbonylContact C-O 3.53Å; Q75-T84 VanDerWaalsContact CA-O 3.23Å; Q75-T84 WeakPolarHBondContact CA-O 3.36Å; Q75-T84 VanDerWaalsContact CB-O 3.31Å; Q75-T84 WeakPolarHBondContact CB-O 3.36Å; R76-T84 PolarHBondContact N-O 3.14Å; R76-T84 PolarHBondContact O-N 3.12Å; N78-T84 PolarHBondContact ND2-OG1 3.12Å; D81-T84 HydrophobicContact CB-CG2 3.63Å; T84-V86 VanDerWaalsContact C-N 3.27Å |
| 85 | D | 81 | Confident | 84.5 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 57% | 0.572 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -75 | -11.2 | 168.2 | 61.4 | -26 | 0 | 0 | 0 | 113.7 | L87 | D85-L87 PolarHBondContact O-N 2.72Š|
| 86 | V | 83 | Confident | 84.4 | Confident | 101 Ų | 101 | 73.7 Ų | 73.7 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | trans | -70.8 | 95.4 | 169.3 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | T84 | T84-V86 VanDerWaalsContact C-N 3.27Š| ||
| 87 | L | 84.6 | Confident | 84.2 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | trans | -95.3 | 160.7 | 178.5 | -58.2 | -175.8 | 0 | 0 | 0 | 112 | N74 R76 D85 D91 R92 P94 F143 | N74-L87 HydrophobicContact CB-CD1 4.03Å; R76-L87 HydrophobicContact CB-CD2 3.51Å; R76-L87 VanDerWaalsContact N-CD2 3.33Å; D85-L87 PolarHBondContact O-N 2.72Å; L87-D91 HydrophobicContact CB-CB 3.91Å; L87-R92 WeakPolarHBondContact CD1-O 3.24Å; L87-P94 HydrophobicContact CD1-CB 4.37Å; L87-P94 HydrophobicContact CD1-CG 4.06Å; L87-P94 HydrophobicContact CG-CG 4.38Å; L87-F143 HydrophobicContact CD1-CE2 4.48Å; L87-F143 HydrophobicContact CD1-CZ 4.21Å; L87-F143 HydrophobicContact CD2-CE2 4.14Å; L87-F143 HydrophobicContact CD2-CZ 3.98Å | ||
| 88 | L | 83.6 | Confident | 84 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 46% | 0.455 | 40% | 0.397 | S | S | . | . | trans | -77.4 | 157.1 | 177.4 | -61.2 | 175.9 | 0 | 0 | 0 | 111.3 | T90 D91 | L88-T90 PolarHBondContact O-N 3.24Å; L88-D91 WeakPolarHBondContact CB-OD2 3.38Å; L88-D91 PolarHBondContact N-OD2 3.31Å; L88-D91 WeakPolarHBondContact O-CB 3.38Å; L88-D91 PolarHBondContact O-N 3.21Å | ||
| 89 | P | 79.8 | Confident | 84 | Confident | 138 Ų | 138 | 72.5 Ų | 72.5 | 90% | 0.896 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.4 | 176.6 | -25.1 | 35.3 | 0 | 0 | 0 | 115.9 | ||
| 90 | T | 79.3 | Confident | 84.1 | Confident | 127 Ų | 127 | 67.4 Ų | 67.4 | 78% | 0.779 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 3.1 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | L88 | L88-T90 PolarHBondContact O-N 3.24Š|
| 91 | D | 83.3 | Confident | 84.3 | Confident | 34 Ų | 34 | 68.5 Ų | 68.5 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -88.6 | 175 | 179.5 | -72.2 | -24.7 | 0 | 0 | 0 | 112 | R76 L87 L88 F143 | R76-D91 IonicContact CZ-OD1 3.02Å; R76-D91 IonicContact CZ-OD2 3.12Å; R76-D91 IonicContact NE-OD1 3.17Å; R76-D91 IonicContact NE-OD2 3.96Å; R76-D91 PolarHBondContact NE-OD2 3.18Å; R76-D91 IonicContact NH2-OD1 2.73Å; R76-D91 PolarHBondContact NH2-OD1 3.14Å; R76-D91 IonicContact NH2-OD2 2.71Å; R76-D91 PolarHBondContact NH2-OD2 3.13Å; L87-D91 HydrophobicContact CB-CB 3.91Å; L88-D91 WeakPolarHBondContact CB-OD2 3.38Å; L88-D91 PolarHBondContact N-OD2 3.31Å; L88-D91 WeakPolarHBondContact O-CB 3.38Å; L88-D91 PolarHBondContact O-N 3.21Å; D91-F143 HydrophobicContact CB-CD2 3.81Å; D91-F143 HydrophobicContact CB-CE2 3.67Å; D91-F143 WeakPolarHBondContact OD1-CD2 3.31Å |
| 92 | R | 86.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 18% | 0.177 | 36% | 0.363 | C | S | . | . | trans | -64.9 | 164.5 | 166.3 | -57.7 | -177.4 | 176.9 | -134.5 | -0.5 | 110.7 | L87 V98 T99 F143 | L87-R92 WeakPolarHBondContact CD1-O 3.24Å; R92-V98 PolarHBondContact NH1-O 2.91Å; R92-T99 PolarHBondContact NH1-O 2.76Å; R92-T99 VanDerWaalsContact NH1-O 3.11Å; R92-T99 PolarHBondContact NH2-O 3.5Å; R92-F143 HydrophobicContact CB-CD1 4.39Å; R92-F143 HydrophobicContact CB-CG 4.47Å; R92-F143 HydrophobicContact CG-CB 3.93Å; R92-F143 HydrophobicContact CG-CD1 3.96Å; R92-F143 HydrophobicContact CG-CD2 4.49Å; R92-F143 HydrophobicContact CG-CG 3.89Å; R92-F143 PolarHBondContact NE-O 2.58Å; R92-F143 PolarHBondContact NH2-O 2.91Å | ||
| 93 | W | 85.7 | Confident | 84.7 | Confident | 137 Ų | 137 | 69.1 Ų | 69.1 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | trans | -65.1 | 147.9 | 170.4 | -62.1 | 97.3 | 0 | 0 | 0 | 112.2 | N74 W95 M101 P103 | N74-W93 PolarHBondContact ND2-O 3Å; W93-W95 WeakPolarHBondContact CB-O 3.46Å; W93-W95 PolarHBondContact O-N 3.48Å; W93-W95 VanDerWaalsContact O-N 3.07Å; W93-M101 VanDerWaalsContact CD1-O 3.32Å; W93-M101 PolarHBondContact NE1-O 3.02Å; W93-P103 HydrophobicContact CB-CB 4.14Å; W93-P103 HydrophobicContact CD2-CB 3.83Å; W93-P103 HydrophobicContact CD2-CG 4.27Å; W93-P103 HydrophobicContact CE3-CB 4.26Å; W93-P103 HydrophobicContact CG-CB 3.74Å; W93-P103 HydrophobicContact CG-CG 4.43Å | ||
| 94 | P | 88.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 70.3 Ų | 70.3 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -57.5 | -24.2 | 177.2 | -26.6 | 35.3 | 0 | 0 | 0 | 114.3 | E73 N74 L87 | E73-P94 CarbonylContact C-O 3.54Å; E73-P94 WeakPolarHBondContact CA-O 3.48Å; N74-P94 PolarHBondContact N-O 3.02Å; L87-P94 HydrophobicContact CD1-CB 4.37Å; L87-P94 HydrophobicContact CD1-CG 4.06Å; L87-P94 HydrophobicContact CG-CG 4.38Å |
| 95 | W | 90.2 | Very high | 85 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 120.9 | 165.2 | -69 | 87.3 | 0 | 0 | 0 | 107.9 | T71 Y72 E73 W93 P103 Q104 P105 L106 W162 | T71-W95 HydrophobicContact CG2-CE3 4.04Å; T71-W95 HydrophobicContact CG2-CZ3 4.22Å; Y72-W95 CarbonylContact O-C 3.14Å; Y72-W95 WeakPolarHBondContact O-CA 3.49Å; E73-W95 HydrophobicContact CB-CD2 4.35Å; E73-W95 HydrophobicContact CB-CE3 3.99Å; E73-W95 HydrophobicContact CB-CH2 3.75Å; E73-W95 HydrophobicContact CB-CZ2 4.13Å; E73-W95 HydrophobicContact CB-CZ3 3.68Å; E73-W95 HydrophobicContact CG-CD2 4.49Å; E73-W95 HydrophobicContact CG-CH2 3.84Å; E73-W95 HydrophobicContact CG-CZ2 3.75Å; E73-W95 HydrophobicContact CG-CZ3 4.26Å; W93-W95 WeakPolarHBondContact CB-O 3.46Å; W93-W95 PolarHBondContact O-N 3.48Å; W93-W95 VanDerWaalsContact O-N 3.07Å; W95-P103 WeakPolarHBondContact O-CA 3.4Å; W95-Q104 PolarHBondContact O-N 2.92Å; W95-P105 HydrophobicContact CB-CB 4.29Å; W95-P105 HydrophobicContact CG-CB 4.38Å; W95-L106 HydrophobicContact CE3-CD2 4.21Å; W95-L106 HydrophobicContact CE3-CG 3.98Å; W95-L106 HydrophobicContact CH2-CD1 3.5Å; W95-L106 VanDerWaalsContact CH2-CD1 3.5Å; W95-L106 HydrophobicContact CH2-CD2 4.17Å; W95-L106 HydrophobicContact CH2-CG 3.73Å; W95-L106 HydrophobicContact CZ2-CD1 4.09Å; W95-L106 HydrophobicContact CZ2-CG 4.35Å; W95-L106 HydrophobicContact CZ3-CD1 3.82Å; W95-L106 HydrophobicContact CZ3-CD2 3.61Å; W95-L106 HydrophobicContact CZ3-CG 3.51Å; W95-W162 AromaticContact CH2-CD1 3.77Å; W95-W162 HydrophobicContact CH2-CD2 4.47Å; W95-W162 AromaticContact CH2-CE2 3.92Å; W95-W162 HydrophobicContact CH2-CG 4.35Å; W95-W162 HydrophobicContact CH2-CZ2 4.48Å; W95-W162 AromaticContact CH2-NE1 3.44Å; W95-W162 AromaticContact CZ3-CD1 3.43Å; W95-W162 VanDerWaalsContact CZ3-CD1 3.43Å; W95-W162 AromaticContact CZ3-CG 3.96Å; W95-W162 HydrophobicContact CZ3-CG 3.96Å; W95-W162 AromaticContact CZ3-NE1 3.64Å |
| 96 | S | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 165.1 | -174.4 | 78.8 | 0 | 0 | 0 | 0 | 114.6 | T71 Y72 N74 N102 | T71-S96 PolarHBondContact OG1-O 2.81Å; Y72-S96 PolarHBondContact N-O 2.56Å; Y72-S96 PolarHBondContact O-N 3.41Å; N74-S96 WeakPolarHBondContact ND2-CB 3.41Å; N74-S96 PolarHBondContact ND2-OG 3.04Å; S96-N102 VanDerWaalsContact CA-O 3.24Å; S96-N102 WeakPolarHBondContact CA-O 3.16Å |
| 97 | D | 87.3 | Confident | 85.4 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 10% | 0.096 | 38% | 0.376 | C | S | . | . | trans | -62.3 | 173.4 | 157.5 | 71.7 | -27.7 | 0 | 0 | 0 | 112.2 | T99 G100 M101 N102 Q104 | D97-T99 PolarHBondContact O-N 2.81Å; D97-T99 PolarHBondContact OD1-OG1 3.31Å; D97-T99 VanDerWaalsContact OD1-OG1 3.08Å; D97-T99 WeakPolarHBondContact OD2-CB 3.5Å; D97-T99 WeakPolarHBondContact OD2-CG2 3.35Å; D97-T99 PolarHBondContact OD2-OG1 2.99Å; D97-G100 PolarHBondContact O-N 3.35Å; D97-G100 VanDerWaalsContact O-N 3.15Å; D97-G100 WeakPolarHBondContact OD1-CA 3.45Å; D97-G100 PolarHBondContact OD1-N 2.89Å; D97-M101 PolarHBondContact OD1-N 3.23Å; D97-M101 VanDerWaalsContact OD1-N 3.15Å; D97-N102 HydrophobicContact CB-CB 4.26Å; D97-N102 PolarHBondContact N-O 2.57Å; D97-N102 VanDerWaalsContact N-O 3.11Å; D97-N102 PolarHBondContact OD1-N 3.08Å; D97-N102 VanDerWaalsContact OD1-N 3.1Å; D97-N102 PolarHBondContact OD2-ND2 3.09Å; D97-Q104 VanDerWaalsContact CA-OE1 3.28Å; D97-Q104 HydrophobicContact CB-CG 4.48Å | ||
| 98 | V | 84.6 | Confident | 85.5 | Confident | 79 Ų | 79 | 72.4 Ų | 72.4 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -60.1 | -28.3 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 112.7 | Y72 R92 | Y72-V98 HydrophobicContact CD2-CB 4.32Å; Y72-V98 HydrophobicContact CE2-CB 3.73Å; Y72-V98 HydrophobicContact CE2-CG2 4.03Å; R92-V98 PolarHBondContact NH1-O 2.91Å |
| 99 | T | 83.5 | Confident | 85.6 | Confident | 74 Ų | 74 | 69.8 Ų | 69.8 | 45% | 0.454 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -74.9 | -31.9 | 178.5 | 81.2 | 0 | 0 | 0 | 0 | 112.3 | R92 D97 M101 | R92-T99 PolarHBondContact NH1-O 2.76Å; R92-T99 VanDerWaalsContact NH1-O 3.11Å; R92-T99 PolarHBondContact NH2-O 3.5Å; D97-T99 PolarHBondContact O-N 2.81Å; D97-T99 PolarHBondContact OD1-OG1 3.31Å; D97-T99 VanDerWaalsContact OD1-OG1 3.08Å; D97-T99 WeakPolarHBondContact OD2-CB 3.5Å; D97-T99 WeakPolarHBondContact OD2-CG2 3.35Å; D97-T99 PolarHBondContact OD2-OG1 2.99Å; T99-M101 WeakPolarHBondContact OG1-CB 3.38Å; T99-M101 PolarHBondContact OG1-N 3.48Å |
| 100 | G | 80.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 71.1 Ų | 71.1 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | S | Bend | trans | 94.4 | -10.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D97 | D97-G100 PolarHBondContact O-N 3.35Å; D97-G100 VanDerWaalsContact O-N 3.15Å; D97-G100 WeakPolarHBondContact OD1-CA 3.45Å; D97-G100 PolarHBondContact OD1-N 2.89Å |
| 101 | M | 82.6 | Confident | 86 | Confident | 149 Ų | 149 | 67.7 Ų | 67.7 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -80.5 | -31.2 | -173.5 | -61.8 | -62.2 | -153.2 | 0 | 0 | 112.8 | W93 D97 T99 | W93-M101 VanDerWaalsContact CD1-O 3.32Å; W93-M101 PolarHBondContact NE1-O 3.02Å; D97-M101 PolarHBondContact OD1-N 3.23Å; D97-M101 VanDerWaalsContact OD1-N 3.15Å; T99-M101 WeakPolarHBondContact OG1-CB 3.38Å; T99-M101 PolarHBondContact OG1-N 3.48Å |
| 102 | N | 85.9 | Confident | 85.9 | Confident | 85 Ų | 85 | 68.9 Ų | 68.9 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -107.7 | 127.4 | -170.5 | -59.7 | -69.8 | 0 | 0 | 0 | 110.7 | S96 D97 | S96-N102 VanDerWaalsContact CA-O 3.24Å; S96-N102 WeakPolarHBondContact CA-O 3.16Å; D97-N102 HydrophobicContact CB-CB 4.26Å; D97-N102 PolarHBondContact N-O 2.57Å; D97-N102 VanDerWaalsContact N-O 3.11Å; D97-N102 PolarHBondContact OD1-N 3.08Å; D97-N102 VanDerWaalsContact OD1-N 3.1Å; D97-N102 PolarHBondContact OD2-ND2 3.09Å |
| 103 | P | 88.2 | Confident | 85.7 | Confident | 73 Ų | 73 | 67.2 Ų | 67.2 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -72.7 | 128.1 | 176.7 | 28.3 | -31.1 | 0 | 0 | 0 | 110.9 | W93 W95 | W93-P103 HydrophobicContact CB-CB 4.14Å; W93-P103 HydrophobicContact CD2-CB 3.83Å; W93-P103 HydrophobicContact CD2-CG 4.27Å; W93-P103 HydrophobicContact CE3-CB 4.26Å; W93-P103 HydrophobicContact CG-CB 3.74Å; W93-P103 HydrophobicContact CG-CG 4.43Å; W95-P103 WeakPolarHBondContact O-CA 3.4Å |
| 104 | Q | 88.2 | Confident | 85.7 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | trans | -138.3 | 64.7 | -176.6 | -69.1 | -167.7 | -28.8 | 0 | 0 | 112.7 | T71 W95 D97 F109 | T71-Q104 PolarHBondContact OG1-O 2.98Å; W95-Q104 PolarHBondContact O-N 2.92Å; D97-Q104 VanDerWaalsContact CA-OE1 3.28Å; D97-Q104 HydrophobicContact CB-CG 4.48Å; Q104-F109 HydrophobicContact CB-CE2 3.94Å; Q104-F109 HydrophobicContact CB-CZ 4.01Å; Q104-F109 HydrophobicContact CG-CZ 4.43Å | ||
| 105 | P | 89.2 | Confident | 85.6 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 21% | 0.214 | 35% | 0.351 | C | S | . | . | trans | -64.1 | 148.8 | 175.7 | 29.5 | -35.7 | 0 | 0 | 0 | 111.8 | W95 H107 S108 | W95-P105 HydrophobicContact CB-CB 4.29Å; W95-P105 HydrophobicContact CG-CB 4.38Å; P105-H107 PolarHBondContact O-N 3.13Å; P105-S108 WeakPolarHBondContact CD-OG 3.27Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 PolarHBondContact O-OG 2.95Å | ||
| 106 | L | 87.3 | Confident | 85.5 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -23.9 | -174.8 | -62.7 | 172.2 | 0 | 0 | 0 | 115.2 | T71 W95 W122 W162 | T71-L106 HydrophobicContact CG2-CD2 3.59Å; W95-L106 HydrophobicContact CE3-CD2 4.21Å; W95-L106 HydrophobicContact CE3-CG 3.98Å; W95-L106 HydrophobicContact CH2-CD1 3.5Å; W95-L106 VanDerWaalsContact CH2-CD1 3.5Å; W95-L106 HydrophobicContact CH2-CD2 4.17Å; W95-L106 HydrophobicContact CH2-CG 3.73Å; W95-L106 HydrophobicContact CZ2-CD1 4.09Å; W95-L106 HydrophobicContact CZ2-CG 4.35Å; W95-L106 HydrophobicContact CZ3-CD1 3.82Å; W95-L106 HydrophobicContact CZ3-CD2 3.61Å; W95-L106 HydrophobicContact CZ3-CG 3.51Å; L106-W122 HydrophobicContact CB-CG 4.47Å; L106-W122 HydrophobicContact CD2-CB 4.11Å; L106-W122 HydrophobicContact CD2-CD2 3.44Å; L106-W122 VanDerWaalsContact CD2-CD2 3.44Å; L106-W122 HydrophobicContact CD2-CE3 3.8Å; L106-W122 HydrophobicContact CD2-CG 3.61Å; L106-W122 HydrophobicContact CD2-CZ2 4.36Å; L106-W122 HydrophobicContact CD2-CZ3 4.39Å; L106-W122 HydrophobicContact CG-CG 4.48Å; L106-W122 PolarHBondContact O-NE1 2.85Å; L106-W162 HydrophobicContact CD2-CB 4.02Å; L106-W162 HydrophobicContact CD2-CD2 4.49Å; L106-W162 HydrophobicContact CD2-CG 4.22Å |
| 107 | H | 85 | Confident | 85.6 | Confident | 162 Ų | 162 | 65 Ų | 65 | 75% | 0.75 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.5 | -179.1 | 62.3 | -106.5 | 0 | 0 | 0 | 114.9 | P105 | P105-H107 PolarHBondContact O-N 3.13Š|
| 108 | S | 86.8 | Confident | 85.8 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -83.6 | -11.9 | 176.1 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | P105 Q110 | P105-S108 WeakPolarHBondContact CD-OG 3.27Å; P105-S108 PolarHBondContact O-N 3.43Å; P105-S108 PolarHBondContact O-OG 2.95Å; S108-Q110 PolarHBondContact O-N 2.95Å |
| 109 | F | 85.2 | Confident | 86 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | trans | -76.2 | 109.7 | 179 | -72.2 | -99.1 | 0 | 0 | 0 | 110.8 | E69 T71 Q104 W118 W122 | E69-F109 HydrophobicContact CB-CD1 4.08Å; E69-F109 HydrophobicContact CB-CE1 4.09Å; E69-F109 HydrophobicContact CG-CD1 4.04Å; E69-F109 HydrophobicContact CG-CE1 4.46Å; T71-F109 HydrophobicContact CG2-CE2 4.12Å; T71-F109 HydrophobicContact CG2-CZ 4.46Å; Q104-F109 HydrophobicContact CB-CE2 3.94Å; Q104-F109 HydrophobicContact CB-CZ 4.01Å; Q104-F109 HydrophobicContact CG-CZ 4.43Å; F109-W118 HydrophobicContact CB-CH2 4.28Å; F109-W118 HydrophobicContact CB-CZ2 4.38Å; F109-W122 HydrophobicContact CB-CZ2 3.98Å; F109-W122 HydrophobicContact CD1-CH2 4.15Å; F109-W122 HydrophobicContact CD1-CZ2 4.07Å; F109-W122 AromaticContact CD2-CH2 3.96Å; F109-W122 HydrophobicContact CD2-CH2 3.96Å; F109-W122 AromaticContact CD2-CZ2 3.47Å; F109-W122 HydrophobicContact CD2-CZ2 3.47Å; F109-W122 VanDerWaalsContact CD2-CZ2 3.47Å; F109-W122 HydrophobicContact CE1-CH2 4.09Å; F109-W122 HydrophobicContact CE1-CZ2 4.42Å; F109-W122 AromaticContact CE2-CH2 3.9Å; F109-W122 HydrophobicContact CE2-CH2 3.9Å; F109-W122 AromaticContact CE2-CZ2 3.86Å; F109-W122 HydrophobicContact CE2-CZ2 3.86Å; F109-W122 HydrophobicContact CG-CH2 4.08Å; F109-W122 AromaticContact CG-CZ2 3.58Å; F109-W122 HydrophobicContact CG-CZ2 3.58Å; F109-W122 AromaticContact CZ-CH2 3.97Å; F109-W122 HydrophobicContact CZ-CH2 3.97Å; F109-W122 HydrophobicContact CZ-CZ2 4.33Å | ||
| 110 | Q | 83.9 | Confident | 86.2 | Confident | 166 Ų | 166 | 64.8 Ų | 64.8 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | trans | -104.1 | 154.4 | 173.9 | -61.8 | -175 | -0.2 | 0 | 0 | 110.4 | S108 | S108-Q110 PolarHBondContact O-N 2.95Š| ||
| 111 | L | 85.1 | Confident | 86.5 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 29% | 0.293 | 38% | 0.383 | S | S | . | . | trans | -75 | 138.8 | 174.7 | -67.4 | 169.3 | 0 | 0 | 0 | 109.5 | S113 W116 W118 R166 | L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.78Å; L111-W116 HydrophobicContact CB-CB 4.3Å; L111-W116 HydrophobicContact CD2-CB 3.97Å; L111-W118 HydrophobicContact CD1-CG 4.44Å; L111-W118 HydrophobicContact CD2-CD2 3.65Å; L111-W118 VanDerWaalsContact CD2-CE2 3.45Å; L111-W118 HydrophobicContact CD2-CE3 4.02Å; L111-W118 HydrophobicContact CD2-CG 4.15Å; L111-W118 HydrophobicContact CD2-CH2 4.03Å; L111-W118 HydrophobicContact CD2-CZ2 3.67Å; L111-W118 HydrophobicContact CD2-CZ3 4.2Å; L111-W118 HydrophobicContact CG-CD2 4.28Å; L111-W118 HydrophobicContact CG-CZ2 3.96Å; L111-R166 HydrophobicContact CD2-CB 3.81Å | ||
| 112 | P | 79.8 | Confident | 86.8 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -62.2 | -37.6 | -176.2 | -22.4 | 31.1 | 0 | 0 | 0 | 113.8 | P178 | P112-P178 WeakPolarHBondContact O-CG 3.4Š|
| 113 | S | 82.9 | Confident | 87 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 8% | 0.084 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -149.8 | 168.7 | -176.9 | 81.9 | 0 | 0 | 0 | 0 | 110.4 | L111 S115 W116 P178 E230 | L111-S113 VanDerWaalsContact C-N 3.32Å; L111-S113 PolarHBondContact O-N 2.78Å; S113-S115 PolarHBondContact O-N 3.39Å; S113-S115 VanDerWaalsContact OG-CB 3.31Å; S113-S115 WeakPolarHBondContact OG-CB 3.28Å; S113-S115 PolarHBondContact OG-N 2.99Å; S113-S115 VanDerWaalsContact OG-N 3.07Å; S113-S115 PolarHBondContact OG-OG 2.88Å; S113-W116 PolarHBondContact O-N 3.44Å; S113-P178 VanDerWaalsContact CB-CG 3.47Å; S113-E230 VanDerWaalsContact CB-OE1 3.3Å; S113-E230 WeakPolarHBondContact CB-OE1 3.2Å; S113-E230 PolarHBondContact OG-OE1 3.14Å; S113-E230 PolarHBondContact OG-OE2 3.07Å |
| 114 | C | 84.4 | Confident | 86.9 | Confident | 117 Ų | 117 | 63.6 Ų | 63.6 | 79% | 0.791 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.1 | 171.3 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 115 | S | 87.1 | Confident | 86.6 | Confident | 7 Ų | 7 | 62 Ų | 62 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 0.7 | 172.9 | -45.1 | 0 | 0 | 0 | 0 | 112.7 | S113 Y168 T169 A175 | S113-S115 PolarHBondContact O-N 3.39Å; S113-S115 VanDerWaalsContact OG-CB 3.31Å; S113-S115 WeakPolarHBondContact OG-CB 3.28Å; S113-S115 PolarHBondContact OG-N 2.99Å; S113-S115 VanDerWaalsContact OG-N 3.07Å; S113-S115 PolarHBondContact OG-OG 2.88Å; S115-Y168 CarbonylContact O-C 3.49Å; S115-Y168 WeakPolarHBondContact O-CA 3.3Å; S115-Y168 WeakPolarHBondContact O-CD2 3.27Å; S115-T169 PolarHBondContact O-N 2.89Å; S115-T169 PolarHBondContact O-OG1 3.12Å; S115-A175 WeakPolarHBondContact OG-CB 3.41Å |
| 116 | W | 88.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 151.3 | 172.3 | -64.2 | 90.2 | 0 | 0 | 0 | 111.6 | I65 L111 S113 R166 R167 Y168 R227 E230 | I65-W116 HydrophobicContact CG2-CH2 4.1Å; L111-W116 HydrophobicContact CB-CB 4.3Å; L111-W116 HydrophobicContact CD2-CB 3.97Å; S113-W116 PolarHBondContact O-N 3.44Å; W116-R166 HydrophobicContact CD2-CG 4.35Å; W116-R166 HydrophobicContact CE3-CB 4.02Å; W116-R166 HydrophobicContact CE3-CG 3.6Å; W116-R166 HydrophobicContact CZ3-CG 3.92Å; W116-R167 WeakPolarHBondContact CA-O 3.31Å; W116-R167 VanDerWaalsContact CE3-C 3.48Å; W116-Y168 HydrophobicContact CD2-CD2 4.15Å; W116-Y168 AromaticContact CE2-CD2 3.79Å; W116-Y168 HydrophobicContact CH2-CD2 4.44Å; W116-Y168 AromaticContact CZ2-CD2 3.98Å; W116-Y168 HydrophobicContact CZ2-CD2 3.98Å; W116-Y168 AromaticContact NE1-CD2 3.99Å; W116-R227 VanDerWaalsContact CH2-O 3.22Å; W116-R227 WeakPolarHBondContact CH2-O 3.43Å; W116-E230 PolarHBondContact NE1-OE2 3.37Å |
| 117 | E | 91.9 | Very high | 84.7 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.3 | 167.4 | 70.9 | -169.7 | 170.2 | 0 | 0 | 110.3 | R166 R167 T169 | E117-R166 CarbonylContact O-C 3.54Å; E117-R166 WeakPolarHBondContact O-CA 2.9Å; E117-R166 WeakPolarHBondContact O-CB 3.39Å; E117-R167 HydrophobicContact CG-CB 4.21Å; E117-R167 PolarHBondContact N-O 2.76Å; E117-R167 PolarHBondContact O-N 3.21Å; E117-R167 IonicContact OE1-CZ 2.79Å; E117-R167 IonicContact OE1-NE 3.26Å; E117-R167 PolarHBondContact OE1-NE 3.18Å; E117-R167 IonicContact OE1-NH2 3.21Å; E117-R167 PolarHBondContact OE1-NH2 2.94Å; E117-T169 HydrophobicContact CB-CG2 4.26Å; E117-T169 HydrophobicContact CG-CG2 3.73Å; E117-T169 WeakPolarHBondContact OE1-CG2 3.1Å |
| 118 | W | 92.1 | Very high | 83.1 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 24% | 0.239 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.9 | 168.9 | -63.2 | 116.7 | 0 | 0 | 0 | 110.1 | E69 F109 L111 G120 R164 R166 | E69-W118 HydrophobicContact CG-CH2 3.75Å; E69-W118 HydrophobicContact CG-CZ3 3.62Å; F109-W118 HydrophobicContact CB-CH2 4.28Å; F109-W118 HydrophobicContact CB-CZ2 4.38Å; L111-W118 HydrophobicContact CD1-CG 4.44Å; L111-W118 HydrophobicContact CD2-CD2 3.65Å; L111-W118 VanDerWaalsContact CD2-CE2 3.45Å; L111-W118 HydrophobicContact CD2-CE3 4.02Å; L111-W118 HydrophobicContact CD2-CG 4.15Å; L111-W118 HydrophobicContact CD2-CH2 4.03Å; L111-W118 HydrophobicContact CD2-CZ2 3.67Å; L111-W118 HydrophobicContact CD2-CZ3 4.2Å; L111-W118 HydrophobicContact CG-CD2 4.28Å; L111-W118 HydrophobicContact CG-CZ2 3.96Å; W118-G120 PolarHBondContact O-N 3.07Å; W118-R164 HydrophobicContact CD2-CG 4.4Å; W118-R164 VanDerWaalsContact CE3-CD 3.43Å; W118-R164 HydrophobicContact CE3-CG 3.67Å; W118-R164 HydrophobicContact CZ3-CB 4.4Å; W118-R164 HydrophobicContact CZ3-CG 4Å; W118-R166 HydrophobicContact CE3-CB 3.76Å; W118-R166 HydrophobicContact CZ3-CB 3.83Å; W118-R166 HydrophobicContact CZ3-CG 4.37Å |
| 119 | E | 88.1 | Confident | 81.5 | Confident | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -78.5 | -8.4 | 177.1 | -64.9 | -167 | 115.8 | 0 | 0 | 113.7 | R66 Y165 R167 | R66-E119 WeakPolarHBondContact CD-OE2 3.47Å; R66-E119 IonicContact CZ-OE1 3.62Å; R66-E119 IonicContact CZ-OE2 2.73Å; R66-E119 IonicContact NE-OE1 3.66Å; R66-E119 PolarHBondContact NE-OE1 2.88Å; R66-E119 IonicContact NE-OE2 2.7Å; R66-E119 PolarHBondContact NE-OE2 3.13Å; R66-E119 IonicContact NH2-OE1 2.59Å; R66-E119 PolarHBondContact NH2-OE1 2.89Å; R66-E119 IonicContact NH2-OE2 2.82Å; E119-Y165 PolarHBondContact N-O 2.89Å; E119-Y165 WeakPolarHBondContact OE2-CB 3.06Å; E119-R167 HydrophobicContact CG-CB 3.58Å |
| 120 | G | 86.8 | Confident | 79.7 | Confident | 38 Ų | 38 | 67 Ų | 67 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 173.2 | -167.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | W118 R164 | W118-G120 PolarHBondContact O-N 3.07Å; G120-R164 VanDerWaalsContact O-CZ 3.25Å; G120-R164 PolarHBondContact O-NE 2.94Å; G120-R164 PolarHBondContact O-NH2 2.75Å |
| 121 | D | 88.4 | Confident | 77.8 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 68% | 0.684 | 36% | 0.363 | S | S | * | . | trans | -89.9 | 172.4 | 174.8 | -75.8 | -45.1 | 0 | 0 | 0 | 113.3 | R164 | D121-R164 IonicContact OD1-CZ 2.7Å; D121-R164 IonicContact OD1-NH2 3.57Å; D121-R164 PolarHBondContact OD1-NH2 3.44Å | ||
| 122 | W | 88.9 | Confident | 76.3 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 13% | 0.125 | 38% | 0.384 | C | S | . | . | trans | -62.7 | 131.6 | 174.7 | -73.8 | 105.6 | 0 | 0 | 0 | 111.4 | E69 T71 L106 F109 W162 R164 | E69-W122 HydrophobicContact CB-CH2 3.61Å; E69-W122 HydrophobicContact CB-CZ2 4.35Å; E69-W122 HydrophobicContact CB-CZ3 4.17Å; T71-W122 HydrophobicContact CG2-CE3 4.46Å; T71-W122 HydrophobicContact CG2-CH2 3.95Å; T71-W122 HydrophobicContact CG2-CZ3 3.9Å; L106-W122 HydrophobicContact CB-CG 4.47Å; L106-W122 HydrophobicContact CD2-CB 4.11Å; L106-W122 HydrophobicContact CD2-CD2 3.44Å; L106-W122 VanDerWaalsContact CD2-CD2 3.44Å; L106-W122 HydrophobicContact CD2-CE3 3.8Å; L106-W122 HydrophobicContact CD2-CG 3.61Å; L106-W122 HydrophobicContact CD2-CZ2 4.36Å; L106-W122 HydrophobicContact CD2-CZ3 4.39Å; L106-W122 HydrophobicContact CG-CG 4.48Å; L106-W122 PolarHBondContact O-NE1 2.85Å; F109-W122 HydrophobicContact CB-CZ2 3.98Å; F109-W122 HydrophobicContact CD1-CH2 4.15Å; F109-W122 HydrophobicContact CD1-CZ2 4.07Å; F109-W122 AromaticContact CD2-CH2 3.96Å; F109-W122 HydrophobicContact CD2-CH2 3.96Å; F109-W122 AromaticContact CD2-CZ2 3.47Å; F109-W122 HydrophobicContact CD2-CZ2 3.47Å; F109-W122 VanDerWaalsContact CD2-CZ2 3.47Å; F109-W122 HydrophobicContact CE1-CH2 4.09Å; F109-W122 HydrophobicContact CE1-CZ2 4.42Å; F109-W122 AromaticContact CE2-CH2 3.9Å; F109-W122 HydrophobicContact CE2-CH2 3.9Å; F109-W122 AromaticContact CE2-CZ2 3.86Å; F109-W122 HydrophobicContact CE2-CZ2 3.86Å; F109-W122 HydrophobicContact CG-CH2 4.08Å; F109-W122 AromaticContact CG-CZ2 3.58Å; F109-W122 HydrophobicContact CG-CZ2 3.58Å; F109-W122 AromaticContact CZ-CH2 3.97Å; F109-W122 HydrophobicContact CZ-CH2 3.97Å; F109-W122 HydrophobicContact CZ-CZ2 4.33Å; W122-W162 HydrophobicContact CB-CE3 4.06Å; W122-W162 HydrophobicContact CE3-CB 3.98Å; W122-W162 HydrophobicContact CZ3-CB 4.4Å; W122-R164 HydrophobicContact CD2-CB 3.65Å; W122-R164 HydrophobicContact CD2-CG 4.41Å; W122-R164 HydrophobicContact CE3-CB 3.6Å; W122-R164 HydrophobicContact CG-CB 4.23Å; W122-R164 HydrophobicContact CH2-CB 4.19Å; W122-R164 HydrophobicContact CZ2-CB 4.23Å; W122-R164 HydrophobicContact CZ3-CB 3.87Å | ||
| 123 | Y | 88.7 | Confident | 75.2 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 39% | 0.388 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.4 | 174.8 | 71.1 | -87.2 | 0 | 0 | 0 | 111.4 | W162 I163 Y165 | Y123-W162 WeakPolarHBondContact O-CA 3.31Å; Y123-I163 WeakPolarHBondContact CD1-O 3.46Å; Y123-I163 HydrophobicContact CE1-CB 4.4Å; Y123-I163 HydrophobicContact CE1-CG2 4.1Å; Y123-I163 PolarHBondContact N-O 2.94Å; Y123-I163 PolarHBondContact O-N 2.98Å; Y123-Y165 HydrophobicContact CE1-CD2 4.36Å; Y123-Y165 HydrophobicContact CE1-CE2 4.32Å; Y123-Y165 VanDerWaalsContact OH-CE2 3.24Å; Y123-Y165 WeakPolarHBondContact OH-CE2 3.36Å |
| 124 | V | 86.3 | Confident | 74.1 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 130.5 | 179.3 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | Q126 R160 W162 | V124-Q126 PolarHBondContact O-N 2.95Å; V124-R160 HydrophobicContact CG1-CG 3.79Å; V124-R160 HydrophobicContact CG2-CG 4.26Å; V124-W162 HydrophobicContact CG2-CD2 3.87Å; V124-W162 HydrophobicContact CG2-CE3 3.87Å; V124-W162 HydrophobicContact CG2-CH2 3.71Å; V124-W162 HydrophobicContact CG2-CZ2 3.68Å; V124-W162 HydrophobicContact CG2-CZ3 3.8Å |
| 125 | D | 81.4 | Confident | 73.4 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | trans | -75.7 | 120.3 | 175.7 | -171.2 | -5.6 | 0 | 0 | 0 | 111.2 | S127 R161 I163 | D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.48Å; D125-S127 PolarHBondContact OD1-N 3.15Å; D125-S127 PolarHBondContact OD1-OG 2.93Å; D125-S127 PolarHBondContact OD2-OG 3.16Å; D125-S127 VanDerWaalsContact OD2-OG 3.05Å; D125-R161 HydrophobicContact CB-CB 4.31Å; D125-R161 HydrophobicContact CB-CG 4.15Å; D125-R161 PolarHBondContact N-O 3.01Å; D125-R161 IonicContact OD2-CZ 3.31Å; D125-R161 IonicContact OD2-NE 2.64Å; D125-R161 PolarHBondContact OD2-NE 3.44Å; D125-R161 IonicContact OD2-NH2 2.66Å; D125-R161 PolarHBondContact OD2-NH2 3.07Å; D125-I163 HydrophobicContact CB-CD1 3.72Å; D125-I163 HydrophobicContact CB-CG1 4.1Å; D125-I163 WeakPolarHBondContact OD2-CD1 3.43Å | ||
| 126 | Q | 72.1 | Confident | 73 | Confident | 130 Ų | 130 | 69 Ų | 69 | 61% | 0.607 | 40% | 0.4 | S | S | * | . | trans | -97.8 | 5 | -178.8 | -57.8 | -174.2 | 14.9 | 0 | 0 | 113.2 | V124 C128 | V124-Q126 PolarHBondContact O-N 2.95Å; Q126-C128 PolarHBondContact O-N 3.2Å | ||
| 127 | S | 65.3 | Low | 72.9 | Confident | 85 Ų | 85 | 69.4 Ų | 69.4 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | trans | -72.1 | -13.4 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | D125 G129 R161 | D125-S127 VanDerWaalsContact OD1-CB 3.3Å; D125-S127 WeakPolarHBondContact OD1-CB 3.48Å; D125-S127 PolarHBondContact OD1-N 3.15Å; D125-S127 PolarHBondContact OD1-OG 2.93Å; D125-S127 PolarHBondContact OD2-OG 3.16Å; D125-S127 VanDerWaalsContact OD2-OG 3.05Å; S127-G129 PolarHBondContact O-N 2.84Å; S127-R161 PolarHBondContact OG-NH2 2.93Å | ||
| 128 | C | 52.2 | Low | 72.7 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -92.5 | 64.6 | 177.7 | -71.9 | 0 | 0 | 0 | 0 | 113 | Q126 E138 R161 | Q126-C128 PolarHBondContact O-N 3.2Å; C128-E138 HydrophobicContact CB-CG 4.27Å; C128-E138 VanDerWaalsContact CB-OE1 3.26Å; C128-E138 WeakPolarHBondContact CB-OE1 3.32Å; C128-E138 PolarHBondContact SG-OE1 2.9Å; C128-R161 PolarHBondContact SG-NH2 3.16Å |
| 129 | G | 51.5 | Low | 72.5 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 137.2 | -178.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S127 | S127-G129 PolarHBondContact O-N 2.84Š|
| 130 | E | 47.6 | Very low | 72.6 | Confident | 158 Ų | 158 | 62.2 Ų | 62.2 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -68.8 | 132.7 | 173.1 | -69.4 | -165 | 159.5 | 0 | 0 | 110.9 | G132 | E130-G132 PolarHBondContact O-N 3.08Å; E130-G132 VanDerWaalsContact O-N 3.17Å |
| 131 | P | 45.1 | Very low | 72.7 | Confident | 115 Ų | 115 | 63.9 Ų | 63.9 | 75% | 0.747 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 119.3 | -175.8 | -27.5 | 35.7 | 0 | 0 | 0 | 113.8 | ||
| 132 | G | 54.3 | Low | 72.5 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 74% | 0.742 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.1 | -23.2 | 161 | 0 | 0 | 0 | 0 | 0 | 117.3 | E130 | E130-G132 PolarHBondContact O-N 3.08Å; E130-G132 VanDerWaalsContact O-N 3.17Å |
| 133 | Q | 55.4 | Low | 72.3 | Confident | 171 Ų | 171 | 60 Ų | 60 | 80% | 0.799 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -85.7 | -31.9 | -171.7 | -64.9 | -164.3 | 29.2 | 0 | 0 | 115.4 | ||
| 134 | T | 59.7 | Low | 72 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -110.8 | -4.8 | -169.2 | 60.2 | 0 | 0 | 0 | 0 | 115.2 | G136 W137 | T134-G136 PolarHBondContact O-N 3.07Å; T134-W137 PolarHBondContact O-N 3.16Å |
| 135 | G | 69.6 | Low | 71.9 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R160 | G135-R160 WeakPolarHBondContact O-CD 3.33Š|
| 136 | G | 79.5 | Confident | 72 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 12.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | T134 R160 | T134-G136 PolarHBondContact O-N 3.07Å; G136-R160 WeakPolarHBondContact O-CA 3.38Å; G136-R160 WeakPolarHBondContact O-CG 3.38Å |
| 137 | W | 86.1 | Confident | 72.7 | Confident | 18 Ų | 18 | 63.1 Ų | 63.1 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.6 | 173.7 | -69.2 | 103.7 | 0 | 0 | 0 | 111.7 | E73 Q75 T134 Y139 R158 R159 R160 | E73-W137 HydrophobicContact CB-CH2 4.46Å; E73-W137 VanDerWaalsContact CD-CH2 3.46Å; E73-W137 HydrophobicContact CG-CH2 3.87Å; E73-W137 WeakPolarHBondContact OE1-CH2 3.33Å; Q75-W137 VanDerWaalsContact CD-CH2 3.41Å; Q75-W137 HydrophobicContact CG-CH2 3.94Å; Q75-W137 HydrophobicContact CG-CZ3 4.29Å; T134-W137 PolarHBondContact O-N 3.16Å; W137-Y139 HydrophobicContact CB-CE2 3.86Å; W137-Y139 WeakPolarHBondContact O-CE2 3.39Å; W137-R158 HydrophobicContact CD2-CG 4.17Å; W137-R158 HydrophobicContact CE3-CB 3.94Å; W137-R158 HydrophobicContact CE3-CG 3.43Å; W137-R158 VanDerWaalsContact CE3-CG 3.43Å; W137-R158 HydrophobicContact CZ3-CG 3.68Å; W137-R159 WeakPolarHBondContact CA-O 3.37Å; W137-R159 VanDerWaalsContact CE3-C 3.46Å; W137-R160 HydrophobicContact CD2-CB 3.83Å; W137-R160 HydrophobicContact CE3-CB 3.54Å; W137-R160 HydrophobicContact CH2-CB 3.98Å; W137-R160 HydrophobicContact CZ2-CB 4.25Å; W137-R160 HydrophobicContact CZ3-CB 3.62Å |
| 138 | E | 88.1 | Confident | 73.5 | Confident | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 148.1 | 164.1 | -48 | 177.4 | 155.3 | 0 | 0 | 109.7 | C128 F147 R158 R159 | C128-E138 HydrophobicContact CB-CG 4.27Å; C128-E138 VanDerWaalsContact CB-OE1 3.26Å; C128-E138 WeakPolarHBondContact CB-OE1 3.32Å; C128-E138 PolarHBondContact SG-OE1 2.9Å; E138-F147 HydrophobicContact CB-CB 3.89Å; E138-F147 HydrophobicContact CB-CD1 4.14Å; E138-F147 HydrophobicContact CB-CG 4.46Å; E138-R158 CarbonylContact O-C 3.49Å; E138-R158 WeakPolarHBondContact O-CA 3.37Å; E138-R158 WeakPolarHBondContact O-CB 3.36Å; E138-R159 HydrophobicContact CB-CG 4.35Å; E138-R159 PolarHBondContact N-O 2.82Å; E138-R159 PolarHBondContact O-N 3.15Å; E138-R159 IonicContact OE2-CZ 2.63Å; E138-R159 IonicContact OE2-NE 2.85Å; E138-R159 PolarHBondContact OE2-NE 2.94Å; E138-R159 IonicContact OE2-NH2 3.46Å; E138-R159 PolarHBondContact OE2-NH2 3.16Å |
| 139 | Y | 88.7 | Confident | 74.9 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.6 | -172.6 | -62 | -90.5 | 0 | 0 | 0 | 112.2 | F83 W137 F147 S148 P149 K151 R158 | F83-Y139 HydrophobicContact CD2-CE1 4.49Å; F83-Y139 HydrophobicContact CE1-CD1 4.49Å; F83-Y139 HydrophobicContact CE2-CD1 4.14Å; F83-Y139 AromaticContact CE2-CE1 3.71Å; F83-Y139 HydrophobicContact CE2-CE1 3.71Å; F83-Y139 AromaticContact CZ-CD1 3.74Å; F83-Y139 HydrophobicContact CZ-CD1 3.74Å; F83-Y139 AromaticContact CZ-CE1 3.78Å; F83-Y139 HydrophobicContact CZ-CE1 3.78Å; W137-Y139 HydrophobicContact CB-CE2 3.86Å; W137-Y139 WeakPolarHBondContact O-CE2 3.39Å; Y139-F147 WeakPolarHBondContact O-CA 3.49Å; Y139-S148 PolarHBondContact N-O 2.79Å; Y139-S148 PolarHBondContact O-N 3.46Å; Y139-P149 WeakPolarHBondContact CD2-O 3.42Å; Y139-K151 HydrophobicContact CD1-CB 4.02Å; Y139-K151 HydrophobicContact CD1-CD 4.42Å; Y139-K151 HydrophobicContact CD1-CG 3.89Å; Y139-K151 HydrophobicContact CD2-CB 3.84Å; Y139-K151 HydrophobicContact CE1-CB 4.07Å; Y139-K151 HydrophobicContact CE1-CD 4.04Å; Y139-K151 HydrophobicContact CE1-CG 3.98Å; Y139-K151 HydrophobicContact CE2-CB 3.92Å; Y139-K151 HydrophobicContact CG-CB 3.91Å; Y139-K151 HydrophobicContact CG-CG 4.23Å; Y139-R158 HydrophobicContact CD1-CB 3.67Å; Y139-R158 HydrophobicContact CE1-CB 3.82Å; Y139-R158 HydrophobicContact CE1-CG 4.43Å; Y139-R158 HydrophobicContact CG-CB 4.36Å |
| 140 | A | 88.8 | Confident | 76.3 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 169 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D142 A145 F147 S155 C156 V157 | A140-D142 VanDerWaalsContact CB-O 3.3Å; A140-D142 WeakPolarHBondContact CB-O 3.38Å; A140-A145 HydrophobicContact CB-CB 4.34Å; A140-F147 HydrophobicContact CB-CD1 3.66Å; A140-F147 HydrophobicContact CB-CD2 3.95Å; A140-F147 HydrophobicContact CB-CE1 3.68Å; A140-F147 HydrophobicContact CB-CE2 3.96Å; A140-F147 HydrophobicContact CB-CG 3.79Å; A140-F147 HydrophobicContact CB-CZ 3.83Å; A140-S155 CarbonylContact O-C 3.55Å; A140-S155 VanDerWaalsContact O-CA 3.27Å; A140-S155 WeakPolarHBondContact O-CA 3.34Å; A140-C156 PolarHBondContact O-N 3.07Å; A140-C156 VanDerWaalsContact O-N 3.11Å; A140-V157 HydrophobicContact CB-CG2 3.84Å; A140-V157 PolarHBondContact N-O 3.11Å; A140-V157 PolarHBondContact O-N 2.81Å; A140-V157 VanDerWaalsContact O-N 3.12Å |
| 141 | V | 88.5 | Confident | 78 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 44% | 0.442 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -73.8 | -41.8 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | C156 | V141-C156 WeakPolarHBondContact O-CB 3.48Š|
| 142 | D | 84.6 | Confident | 79.9 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -146.2 | 176.8 | 172.1 | 62 | 11.9 | 0 | 0 | 0 | 110.4 | A140 P144 A145 V157 | A140-D142 VanDerWaalsContact CB-O 3.3Å; A140-D142 WeakPolarHBondContact CB-O 3.38Å; D142-P144 WeakPolarHBondContact OD1-CD 3.45Å; D142-A145 PolarHBondContact O-N 3.15Å; D142-A145 WeakPolarHBondContact OD1-CB 3.47Å; D142-A145 PolarHBondContact OD1-N 3.22Å; D142-V157 WeakPolarHBondContact O-CG2 3.38Å |
| 143 | F | 84.7 | Confident | 81.2 | Confident | 8 Ų | 8 | 70.5 Ų | 70.5 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -71.3 | -22.9 | -177.4 | -76.2 | -64 | 0 | 0 | 0 | 116 | N74 L87 D91 R92 F147 V157 | N74-F143 HydrophobicContact CB-CE1 3.75Å; N74-F143 HydrophobicContact CB-CZ 3.98Å; L87-F143 HydrophobicContact CD1-CE2 4.48Å; L87-F143 HydrophobicContact CD1-CZ 4.21Å; L87-F143 HydrophobicContact CD2-CE2 4.14Å; L87-F143 HydrophobicContact CD2-CZ 3.98Å; D91-F143 HydrophobicContact CB-CD2 3.81Å; D91-F143 HydrophobicContact CB-CE2 3.67Å; D91-F143 WeakPolarHBondContact OD1-CD2 3.31Å; R92-F143 HydrophobicContact CB-CD1 4.39Å; R92-F143 HydrophobicContact CB-CG 4.47Å; R92-F143 HydrophobicContact CG-CB 3.93Å; R92-F143 HydrophobicContact CG-CD1 3.96Å; R92-F143 HydrophobicContact CG-CD2 4.49Å; R92-F143 HydrophobicContact CG-CG 3.89Å; R92-F143 PolarHBondContact NE-O 2.58Å; R92-F143 PolarHBondContact NH2-O 2.91Å; F143-F147 HydrophobicContact CD1-CZ 4.04Å; F143-V157 HydrophobicContact CD1-CB 4.29Å; F143-V157 HydrophobicContact CD1-CG1 4.49Å; F143-V157 HydrophobicContact CD1-CG2 4.15Å; F143-V157 HydrophobicContact CD2-CB 4.49Å; F143-V157 HydrophobicContact CD2-CG1 3.84Å; F143-V157 HydrophobicContact CE1-CB 3.99Å; F143-V157 HydrophobicContact CE1-CG1 4.31Å; F143-V157 HydrophobicContact CE1-CG2 4.3Å; F143-V157 HydrophobicContact CE2-CB 4.21Å; F143-V157 HydrophobicContact CE2-CG1 3.63Å; F143-V157 HydrophobicContact CG-CG1 4.26Å; F143-V157 HydrophobicContact CG-CG2 4.39Å; F143-V157 HydrophobicContact CZ-CB 3.95Å; F143-V157 HydrophobicContact CZ-CG1 3.88Å |
| 144 | P | 83.4 | Confident | 82.6 | Confident | 114 Ų | 114 | 64.9 Ų | 64.9 | 74% | 0.74 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -76.2 | -27.2 | 166.6 | -25.3 | 36.7 | 0 | 0 | 0 | 115.5 | D142 | D142-P144 WeakPolarHBondContact OD1-CD 3.45Š|
| 145 | A | 83.1 | Confident | 83.9 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 28% | 0.281 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.9 | 159.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A140 D142 F147 | A140-A145 HydrophobicContact CB-CB 4.34Å; D142-A145 PolarHBondContact O-N 3.15Å; D142-A145 WeakPolarHBondContact OD1-CB 3.47Å; D142-A145 PolarHBondContact OD1-N 3.22Å; A145-F147 VanDerWaalsContact O-CD2 3.32Å; A145-F147 WeakPolarHBondContact O-CD2 3.45Å; A145-F147 PolarHBondContact O-N 3.42Å |
| 146 | N | 84.9 | Confident | 84.8 | Confident | 159 Ų | 159 | 63.2 Ų | 63.2 | 85% | 0.85 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 126.1 | 173.3 | -71.2 | -23.8 | 0 | 0 | 0 | 111.1 | ||
| 147 | F | 84.8 | Confident | 85.3 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 15% | 0.145 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 143.8 | 176.2 | -73.5 | -100.5 | 0 | 0 | 0 | 111.3 | E138 Y139 A140 F143 A145 V157 R159 | E138-F147 HydrophobicContact CB-CB 3.89Å; E138-F147 HydrophobicContact CB-CD1 4.14Å; E138-F147 HydrophobicContact CB-CG 4.46Å; Y139-F147 WeakPolarHBondContact O-CA 3.49Å; A140-F147 HydrophobicContact CB-CD1 3.66Å; A140-F147 HydrophobicContact CB-CD2 3.95Å; A140-F147 HydrophobicContact CB-CE1 3.68Å; A140-F147 HydrophobicContact CB-CE2 3.96Å; A140-F147 HydrophobicContact CB-CG 3.79Å; A140-F147 HydrophobicContact CB-CZ 3.83Å; F143-F147 HydrophobicContact CD1-CZ 4.04Å; A145-F147 VanDerWaalsContact O-CD2 3.32Å; A145-F147 WeakPolarHBondContact O-CD2 3.45Å; A145-F147 PolarHBondContact O-N 3.42Å; F147-V157 HydrophobicContact CE1-CG2 4.02Å; F147-V157 HydrophobicContact CZ-CG2 3.96Å; F147-R159 HydrophobicContact CD1-CB 4.39Å; F147-R159 HydrophobicContact CD1-CG 3.63Å; F147-R159 HydrophobicContact CE1-CB 3.94Å; F147-R159 HydrophobicContact CE1-CG 3.65Å; F147-R159 HydrophobicContact CG-CG 4.22Å; F147-R159 HydrophobicContact CZ-CB 4.46Å; F147-R159 HydrophobicContact CZ-CG 4.25Å |
| 148 | S | 82.3 | Confident | 85.5 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -132.7 | 148.7 | 173.4 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | Y139 D150 K152 | Y139-S148 PolarHBondContact N-O 2.79Å; Y139-S148 PolarHBondContact O-N 3.46Å; S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-O 2.93Å; S148-K152 PolarHBondContact OG-NZ 2.97Å |
| 149 | P | 81.7 | Confident | 85.5 | Confident | 45 Ų | 45 | 65 Ų | 65 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -61 | -32.5 | 177.3 | 25.6 | -34.5 | 0 | 0 | 0 | 112.4 | Y139 K151 | Y139-P149 WeakPolarHBondContact CD2-O 3.42Å; P149-K151 PolarHBondContact O-N 2.94Å |
| 150 | D | 81.6 | Confident | 85.6 | Confident | 107 Ų | 107 | 66.4 Ų | 66.4 | 57% | 0.572 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73.4 | 122 | 179 | -48.1 | -64.6 | 0 | 0 | 0 | 112.3 | S148 K152 | S148-D150 PolarHBondContact O-N 3.38Å; S148-D150 PolarHBondContact OG-O 2.93Å; D150-K152 PolarHBondContact O-N 3.21Å |
| 151 | K | 84 | Confident | 85.6 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -71 | 117.4 | 168.4 | -176.9 | -176.7 | 173.4 | -175.4 | 0 | 109.9 | F83 Y139 P149 | F83-K151 HydrophobicContact CE2-CD 4.39Å; Y139-K151 HydrophobicContact CD1-CB 4.02Å; Y139-K151 HydrophobicContact CD1-CD 4.42Å; Y139-K151 HydrophobicContact CD1-CG 3.89Å; Y139-K151 HydrophobicContact CD2-CB 3.84Å; Y139-K151 HydrophobicContact CE1-CB 4.07Å; Y139-K151 HydrophobicContact CE1-CD 4.04Å; Y139-K151 HydrophobicContact CE1-CG 3.98Å; Y139-K151 HydrophobicContact CE2-CB 3.92Å; Y139-K151 HydrophobicContact CG-CB 3.91Å; Y139-K151 HydrophobicContact CG-CG 4.23Å; P149-K151 PolarHBondContact O-N 2.94Å |
| 152 | K | 84.6 | Confident | 85.7 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 164.7 | 176.9 | -68.2 | 153.1 | -175.2 | 158 | 0 | 110.4 | S148 D150 N154 S155 | S148-K152 PolarHBondContact OG-NZ 2.97Å; D150-K152 PolarHBondContact O-N 3.21Å; K152-N154 WeakPolarHBondContact CB-OD1 3.36Å; K152-N154 PolarHBondContact O-N 3.02Å; K152-S155 PolarHBondContact N-OG 2.83Å; K152-S155 WeakPolarHBondContact O-CB 3.4Å; K152-S155 PolarHBondContact O-N 3.11Å; K152-S155 VanDerWaalsContact O-N 3.11Å; K152-S155 PolarHBondContact O-OG 2.97Å |
| 153 | W | 81.5 | Confident | 86 | Confident | 248 Ų | 248 | 63.6 Ų | 63.6 | 94% | 0.939 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.7 | -179.6 | 71.5 | -94.6 | 0 | 0 | 0 | 113 | ||
| 154 | N | 85.2 | Confident | 86.4 | Confident | 53 Ų | 53 | 64.9 Ų | 64.9 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 16.9 | 178.2 | 64.8 | -24.4 | 0 | 0 | 0 | 113.5 | K152 C156 | K152-N154 WeakPolarHBondContact CB-OD1 3.36Å; K152-N154 PolarHBondContact O-N 3.02Å; N154-C156 PolarHBondContact O-N 2.72Å; N154-C156 VanDerWaalsContact O-N 3.12Å |
| 155 | S | 87.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | trans | -78.2 | 91.2 | 177.3 | -69 | 0 | 0 | 0 | 0 | 111.5 | F83 A140 K152 | F83-S155 WeakPolarHBondContact CZ-O 3.46Å; A140-S155 CarbonylContact O-C 3.55Å; A140-S155 VanDerWaalsContact O-CA 3.27Å; A140-S155 WeakPolarHBondContact O-CA 3.34Å; K152-S155 PolarHBondContact N-OG 2.83Å; K152-S155 WeakPolarHBondContact O-CB 3.4Å; K152-S155 PolarHBondContact O-N 3.11Å; K152-S155 VanDerWaalsContact O-N 3.11Å; K152-S155 PolarHBondContact O-OG 2.97Å | ||
| 156 | C | 87.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | trans | -89.7 | -7.4 | -179.2 | -56 | 0 | 0 | 0 | 0 | 114.4 | W77 A140 V141 N154 | W77-C156 PolarHBondContact N-O 3.32Å; A140-C156 PolarHBondContact O-N 3.07Å; A140-C156 VanDerWaalsContact O-N 3.11Å; V141-C156 WeakPolarHBondContact O-CB 3.48Å; N154-C156 PolarHBondContact O-N 2.72Å; N154-C156 VanDerWaalsContact O-N 3.12Å | ||
| 157 | V | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.9 | 170.2 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | Q75 A140 D142 F143 F147 | Q75-V157 WeakPolarHBondContact O-CA 3.14Å; A140-V157 HydrophobicContact CB-CG2 3.84Å; A140-V157 PolarHBondContact N-O 3.11Å; A140-V157 PolarHBondContact O-N 2.81Å; A140-V157 VanDerWaalsContact O-N 3.12Å; D142-V157 WeakPolarHBondContact O-CG2 3.38Å; F143-V157 HydrophobicContact CD1-CB 4.29Å; F143-V157 HydrophobicContact CD1-CG1 4.49Å; F143-V157 HydrophobicContact CD1-CG2 4.15Å; F143-V157 HydrophobicContact CD2-CB 4.49Å; F143-V157 HydrophobicContact CD2-CG1 3.84Å; F143-V157 HydrophobicContact CE1-CB 3.99Å; F143-V157 HydrophobicContact CE1-CG1 4.31Å; F143-V157 HydrophobicContact CE1-CG2 4.3Å; F143-V157 HydrophobicContact CE2-CB 4.21Å; F143-V157 HydrophobicContact CE2-CG1 3.63Å; F143-V157 HydrophobicContact CG-CG1 4.26Å; F143-V157 HydrophobicContact CG-CG2 4.39Å; F143-V157 HydrophobicContact CZ-CB 3.95Å; F143-V157 HydrophobicContact CZ-CG1 3.88Å; F147-V157 HydrophobicContact CE1-CG2 4.02Å; F147-V157 HydrophobicContact CZ-CG2 3.96Å |
| 158 | R | 89.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 17% | 0.174 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 154.2 | 170.3 | 69.1 | 177.4 | -174 | 179.1 | -6.5 | 111.6 | Q75 F83 W137 E138 Y139 | Q75-R158 HydrophobicContact CB-CG 3.93Å; Q75-R158 PolarHBondContact N-O 2.96Å; Q75-R158 PolarHBondContact O-N 3.36Å; Q75-R158 VanDerWaalsContact OE1-CZ 3.24Å; F83-R158 HydrophobicContact CB-CG 4.47Å; F83-R158 HydrophobicContact CD1-CB 4.21Å; F83-R158 HydrophobicContact CD1-CG 3.56Å; F83-R158 HydrophobicContact CE1-CB 3.93Å; F83-R158 HydrophobicContact CE1-CG 3.82Å; F83-R158 HydrophobicContact CG-CG 3.99Å; F83-R158 HydrophobicContact CZ-CB 4.37Å; F83-R158 HydrophobicContact CZ-CG 4.45Å; W137-R158 HydrophobicContact CD2-CG 4.17Å; W137-R158 HydrophobicContact CE3-CB 3.94Å; W137-R158 HydrophobicContact CE3-CG 3.43Å; W137-R158 VanDerWaalsContact CE3-CG 3.43Å; W137-R158 HydrophobicContact CZ3-CG 3.68Å; E138-R158 CarbonylContact O-C 3.49Å; E138-R158 WeakPolarHBondContact O-CA 3.37Å; E138-R158 WeakPolarHBondContact O-CB 3.36Å; Y139-R158 HydrophobicContact CD1-CB 3.67Å; Y139-R158 HydrophobicContact CE1-CB 3.82Å; Y139-R158 HydrophobicContact CE1-CG 4.43Å; Y139-R158 HydrophobicContact CG-CB 4.36Å |
| 159 | R | 89.8 | Confident | 87.9 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.5 | 172 | 75.2 | -174.2 | -176.8 | 177.4 | 0.7 | 111.7 | Y72 E73 N74 W137 E138 F147 | Y72-R159 HydrophobicContact CD1-CG 4.48Å; E73-R159 CarbonylContact O-C 3.41Å; E73-R159 WeakPolarHBondContact O-CA 3.3Å; N74-R159 WeakPolarHBondContact OD1-CB 3.36Å; W137-R159 WeakPolarHBondContact CA-O 3.37Å; W137-R159 VanDerWaalsContact CE3-C 3.46Å; E138-R159 HydrophobicContact CB-CG 4.35Å; E138-R159 PolarHBondContact N-O 2.82Å; E138-R159 PolarHBondContact O-N 3.15Å; E138-R159 IonicContact OE2-CZ 2.63Å; E138-R159 IonicContact OE2-NE 2.85Å; E138-R159 PolarHBondContact OE2-NE 2.94Å; E138-R159 IonicContact OE2-NH2 3.46Å; E138-R159 PolarHBondContact OE2-NH2 3.16Å; F147-R159 HydrophobicContact CD1-CB 4.39Å; F147-R159 HydrophobicContact CD1-CG 3.63Å; F147-R159 HydrophobicContact CE1-CB 3.94Å; F147-R159 HydrophobicContact CE1-CG 3.65Å; F147-R159 HydrophobicContact CG-CG 4.22Å; F147-R159 HydrophobicContact CZ-CB 4.46Å; F147-R159 HydrophobicContact CZ-CG 4.25Å |
| 160 | R | 89.7 | Confident | 88 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.1 | 176.4 | 172.3 | 163.4 | 66.3 | 169 | -1.4 | 110.7 | Y72 E73 V124 G135 G136 W137 | Y72-R160 WeakPolarHBondContact CA-O 3.43Å; E73-R160 HydrophobicContact CB-CB 4.36Å; E73-R160 VanDerWaalsContact CD-NH2 3.27Å; E73-R160 PolarHBondContact N-O 2.87Å; E73-R160 PolarHBondContact O-N 3.18Å; E73-R160 IonicContact OE1-CZ 2.72Å; E73-R160 IonicContact OE1-NH2 3.16Å; E73-R160 PolarHBondContact OE1-NH2 2.98Å; E73-R160 IonicContact OE2-CZ 3.09Å; E73-R160 IonicContact OE2-NE 2.72Å; E73-R160 PolarHBondContact OE2-NE 3.19Å; E73-R160 IonicContact OE2-NH2 2.65Å; E73-R160 PolarHBondContact OE2-NH2 3.14Å; V124-R160 HydrophobicContact CG1-CG 3.79Å; V124-R160 HydrophobicContact CG2-CG 4.26Å; G135-R160 WeakPolarHBondContact O-CD 3.33Å; G136-R160 WeakPolarHBondContact O-CA 3.38Å; G136-R160 WeakPolarHBondContact O-CG 3.38Å; W137-R160 HydrophobicContact CD2-CB 3.83Å; W137-R160 HydrophobicContact CE3-CB 3.54Å; W137-R160 HydrophobicContact CH2-CB 3.98Å; W137-R160 HydrophobicContact CZ2-CB 4.25Å; W137-R160 HydrophobicContact CZ3-CB 3.62Å |
| 161 | R | 89.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.9 | 178 | -178.7 | 162.1 | 71.7 | -134.4 | -1 | 110.5 | E70 Y72 D125 S127 C128 I163 | E70-R161 HydrophobicContact CB-CG 4.48Å; Y72-R161 HydrophobicContact CD1-CB 4.21Å; Y72-R161 HydrophobicContact CE1-CB 3.9Å; Y72-R161 HydrophobicContact CE1-CG 4.13Å; Y72-R161 VanDerWaalsContact OH-CD 3.29Å; Y72-R161 WeakPolarHBondContact OH-CD 3.3Å; D125-R161 HydrophobicContact CB-CB 4.31Å; D125-R161 HydrophobicContact CB-CG 4.15Å; D125-R161 PolarHBondContact N-O 3.01Å; D125-R161 IonicContact OD2-CZ 3.31Å; D125-R161 IonicContact OD2-NE 2.64Å; D125-R161 PolarHBondContact OD2-NE 3.44Å; D125-R161 IonicContact OD2-NH2 2.66Å; D125-R161 PolarHBondContact OD2-NH2 3.07Å; S127-R161 PolarHBondContact OG-NH2 2.93Å; C128-R161 PolarHBondContact SG-NH2 3.16Å; R161-I163 HydrophobicContact CG-CD1 4.27Å; R161-I163 HydrophobicContact CG-CG1 4.03Å |
| 162 | W | 90.5 | Very high | 88 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 17% | 0.17 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 142.4 | 169.7 | -70.5 | 84.6 | 0 | 0 | 0 | 109.8 | E70 T71 E73 W95 L106 W122 Y123 V124 | E70-W162 VanDerWaalsContact CA-O 3.24Å; E70-W162 WeakPolarHBondContact CA-O 3.27Å; T71-W162 HydrophobicContact CG2-CB 4.1Å; T71-W162 PolarHBondContact N-O 2.91Å; T71-W162 PolarHBondContact O-N 2.97Å; E73-W162 PolarHBondContact OE2-NE1 2.95Å; W95-W162 AromaticContact CH2-CD1 3.77Å; W95-W162 HydrophobicContact CH2-CD2 4.47Å; W95-W162 AromaticContact CH2-CE2 3.92Å; W95-W162 HydrophobicContact CH2-CG 4.35Å; W95-W162 HydrophobicContact CH2-CZ2 4.48Å; W95-W162 AromaticContact CH2-NE1 3.44Å; W95-W162 AromaticContact CZ3-CD1 3.43Å; W95-W162 VanDerWaalsContact CZ3-CD1 3.43Å; W95-W162 AromaticContact CZ3-CG 3.96Å; W95-W162 HydrophobicContact CZ3-CG 3.96Å; W95-W162 AromaticContact CZ3-NE1 3.64Å; L106-W162 HydrophobicContact CD2-CB 4.02Å; L106-W162 HydrophobicContact CD2-CD2 4.49Å; L106-W162 HydrophobicContact CD2-CG 4.22Å; W122-W162 HydrophobicContact CB-CE3 4.06Å; W122-W162 HydrophobicContact CE3-CB 3.98Å; W122-W162 HydrophobicContact CZ3-CB 4.4Å; Y123-W162 WeakPolarHBondContact O-CA 3.31Å; V124-W162 HydrophobicContact CG2-CD2 3.87Å; V124-W162 HydrophobicContact CG2-CE3 3.87Å; V124-W162 HydrophobicContact CG2-CH2 3.71Å; V124-W162 HydrophobicContact CG2-CZ2 3.68Å; V124-W162 HydrophobicContact CG2-CZ3 3.8Å |
| 163 | I | 90.9 | Very high | 88 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146 | -177.4 | -68.2 | -173.7 | 0 | 0 | 0 | 110.6 | R68 E69 E70 Y123 D125 R161 Y165 | R68-I163 HydrophobicContact CG-CG2 3.6Å; E69-I163 WeakPolarHBondContact O-CA 3.33Å; E70-I163 HydrophobicContact CB-CG1 4.1Å; Y123-I163 WeakPolarHBondContact CD1-O 3.46Å; Y123-I163 HydrophobicContact CE1-CB 4.4Å; Y123-I163 HydrophobicContact CE1-CG2 4.1Å; Y123-I163 PolarHBondContact N-O 2.94Å; Y123-I163 PolarHBondContact O-N 2.98Å; D125-I163 HydrophobicContact CB-CD1 3.72Å; D125-I163 HydrophobicContact CB-CG1 4.1Å; D125-I163 WeakPolarHBondContact OD2-CD1 3.43Å; R161-I163 HydrophobicContact CG-CD1 4.27Å; R161-I163 HydrophobicContact CG-CG1 4.03Å; I163-Y165 HydrophobicContact CG2-CE2 4.4Å |
| 164 | R | 92.6 | Very high | 88.4 | Confident | 35 Ų | 35 | 39 Ų | 39 | 13% | 0.132 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 143.2 | 170.6 | -165.9 | 176.7 | -168.3 | 164.9 | 15.8 | 109.8 | E69 W118 G120 D121 W122 | E69-R164 HydrophobicContact CB-CB 4.49Å; E69-R164 PolarHBondContact N-O 2.82Å; E69-R164 PolarHBondContact O-N 2.9Å; E69-R164 VanDerWaalsContact O-N 3.14Å; W118-R164 HydrophobicContact CD2-CG 4.4Å; W118-R164 VanDerWaalsContact CE3-CD 3.43Å; W118-R164 HydrophobicContact CE3-CG 3.67Å; W118-R164 HydrophobicContact CZ3-CB 4.4Å; W118-R164 HydrophobicContact CZ3-CG 4Å; G120-R164 VanDerWaalsContact O-CZ 3.25Å; G120-R164 PolarHBondContact O-NE 2.94Å; G120-R164 PolarHBondContact O-NH2 2.75Å; D121-R164 IonicContact OD1-CZ 2.7Å; D121-R164 IonicContact OD1-NH2 3.57Å; D121-R164 PolarHBondContact OD1-NH2 3.44Å; W122-R164 HydrophobicContact CD2-CB 3.65Å; W122-R164 HydrophobicContact CD2-CG 4.41Å; W122-R164 HydrophobicContact CE3-CB 3.6Å; W122-R164 HydrophobicContact CG-CB 4.23Å; W122-R164 HydrophobicContact CH2-CB 4.19Å; W122-R164 HydrophobicContact CZ2-CB 4.23Å; W122-R164 HydrophobicContact CZ3-CB 3.87Å |
| 165 | Y | 90.8 | Very high | 88.5 | Confident | 84 Ų | 84 | 36.7 Ų | 36.7 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.7 | 174.3 | -69.8 | -70.8 | 0 | 0 | 0 | 111.6 | Y67 R68 E119 Y123 I163 | Y67-Y165 WeakPolarHBondContact O-CA 3.34Å; R68-Y165 HydrophobicContact CB-CD1 4.03Å; R68-Y165 HydrophobicContact CB-CE1 3.69Å; R68-Y165 HydrophobicContact CG-CD1 4.18Å; R68-Y165 HydrophobicContact CG-CE1 3.63Å; E119-Y165 PolarHBondContact N-O 2.89Å; E119-Y165 WeakPolarHBondContact OE2-CB 3.06Å; Y123-Y165 HydrophobicContact CE1-CD2 4.36Å; Y123-Y165 HydrophobicContact CE1-CE2 4.32Å; Y123-Y165 VanDerWaalsContact OH-CE2 3.24Å; Y123-Y165 WeakPolarHBondContact OH-CE2 3.36Å; I163-Y165 HydrophobicContact CG2-CE2 4.4Å |
| 166 | R | 91.4 | Very high | 88.5 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.1 | 164.1 | 62.8 | 178.9 | -154.8 | -139 | 2.7 | 110.4 | R66 Y67 E69 L111 W116 E117 W118 | R66-R166 WeakPolarHBondContact CA-O 3.31Å; Y67-R166 HydrophobicContact CD1-CG 4.39Å; Y67-R166 PolarHBondContact N-O 3.35Å; Y67-R166 PolarHBondContact O-N 2.9Å; E69-R166 WeakPolarHBondContact OE1-CD 3.45Å; E69-R166 IonicContact OE1-CZ 3.56Å; E69-R166 IonicContact OE1-NE 3.39Å; E69-R166 IonicContact OE1-NH1 2.96Å; E69-R166 PolarHBondContact OE1-NH1 2.98Å; L111-R166 HydrophobicContact CD2-CB 3.81Å; W116-R166 HydrophobicContact CD2-CG 4.35Å; W116-R166 HydrophobicContact CE3-CB 4.02Å; W116-R166 HydrophobicContact CE3-CG 3.6Å; W116-R166 HydrophobicContact CZ3-CG 3.92Å; E117-R166 CarbonylContact O-C 3.54Å; E117-R166 WeakPolarHBondContact O-CA 2.9Å; E117-R166 WeakPolarHBondContact O-CB 3.39Å; W118-R166 HydrophobicContact CE3-CB 3.76Å; W118-R166 HydrophobicContact CZ3-CB 3.83Å; W118-R166 HydrophobicContact CZ3-CG 4.37Å |
| 167 | R | 91.1 | Very high | 88.4 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 38% | 0.377 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.5 | 178 | 179.6 | 169.6 | 74.5 | 158.5 | 1.7 | 109.9 | I65 W116 E117 E119 | I65-R167 WeakPolarHBondContact O-CA 3.49Å; W116-R167 WeakPolarHBondContact CA-O 3.31Å; W116-R167 VanDerWaalsContact CE3-C 3.48Å; E117-R167 HydrophobicContact CG-CB 4.21Å; E117-R167 PolarHBondContact N-O 2.76Å; E117-R167 PolarHBondContact O-N 3.21Å; E117-R167 IonicContact OE1-CZ 2.79Å; E117-R167 IonicContact OE1-NE 3.26Å; E117-R167 PolarHBondContact OE1-NE 3.18Å; E117-R167 IonicContact OE1-NH2 3.21Å; E117-R167 PolarHBondContact OE1-NH2 2.94Å; E119-R167 HydrophobicContact CG-CB 3.58Å |
| 168 | Y | 89.3 | Confident | 87.6 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.8 | 170.8 | -172.6 | -94.3 | 0 | 0 | 0 | 109.7 | I58 I65 S115 W116 A170 Q171 A175 P229 E230 | I58-Y168 HydrophobicContact CD1-CD1 4.06Å; I58-Y168 HydrophobicContact CD1-CE1 3.44Å; I58-Y168 VanDerWaalsContact CD1-CE1 3.44Å; I58-Y168 HydrophobicContact CG1-CE1 4.24Å; I65-Y168 PolarHBondContact O-N 2.93Å; S115-Y168 CarbonylContact O-C 3.49Å; S115-Y168 WeakPolarHBondContact O-CA 3.3Å; S115-Y168 WeakPolarHBondContact O-CD2 3.27Å; W116-Y168 HydrophobicContact CD2-CD2 4.15Å; W116-Y168 AromaticContact CE2-CD2 3.79Å; W116-Y168 HydrophobicContact CH2-CD2 4.44Å; W116-Y168 AromaticContact CZ2-CD2 3.98Å; W116-Y168 HydrophobicContact CZ2-CD2 3.98Å; W116-Y168 AromaticContact NE1-CD2 3.99Å; Y168-A170 HydrophobicContact CE1-CB 3.99Å; Y168-A170 WeakPolarHBondContact CE1-O 3.31Å; Y168-Q171 HydrophobicContact CD1-CG 4.28Å; Y168-A175 WeakPolarHBondContact OH-CB 3.39Å; Y168-P229 HydrophobicContact CD2-CG 4.18Å; Y168-P229 HydrophobicContact CE2-CG 4.14Å; Y168-P229 HydrophobicContact CG-CG 4.45Å; Y168-E230 HydrophobicContact CE2-CG 4.07Å |
| 169 | T | 87.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | trans | -101.4 | -27.6 | -170.3 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S115 E117 Q171 | S115-T169 PolarHBondContact O-N 2.89Å; S115-T169 PolarHBondContact O-OG1 3.12Å; E117-T169 HydrophobicContact CB-CG2 4.26Å; E117-T169 HydrophobicContact CG-CG2 3.73Å; E117-T169 WeakPolarHBondContact OE1-CG2 3.1Å; T169-Q171 VanDerWaalsContact C-N 3.26Å; T169-Q171 PolarHBondContact O-N 2.86Å | ||
| 170 | A | 84.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | trans | -83.8 | 51.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y168 A175 | Y168-A170 HydrophobicContact CE1-CB 3.99Å; Y168-A170 WeakPolarHBondContact CE1-O 3.31Å; A170-A175 HydrophobicContact CB-CB 3.8Å | ||
| 171 | Q | 83.5 | Confident | 83 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -83 | 138 | 168.5 | -65.7 | -168.2 | 6.3 | 0 | 0 | 110.6 | S61 Y168 T169 T173 | S61-Q171 PolarHBondContact O-OE1 3.39Å; Y168-Q171 HydrophobicContact CD1-CG 4.28Å; T169-Q171 VanDerWaalsContact C-N 3.26Å; T169-Q171 PolarHBondContact O-N 2.86Å; Q171-T173 PolarHBondContact O-N 2.86Å |
| 172 | G | 81.2 | Confident | 81 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 76.6 | -15 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N57 I58 | N57-G172 PolarHBondContact ND2-O 3.47Å; N57-G172 VanDerWaalsContact ND2-O 3.17Å; I58-G172 PolarHBondContact O-N 2.74Å |
| 173 | T | 85.6 | Confident | 79.3 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -107.8 | 165.5 | 178.1 | 56 | 0 | 0 | 0 | 0 | 111.6 | N57 Q171 | N57-T173 WeakPolarHBondContact CA-O 3.32Å; N57-T173 PolarHBondContact ND2-O 2.81Å; Q171-T173 PolarHBondContact O-N 2.86Å |
| 174 | W | 88.8 | Confident | 77.7 | Confident | 25 Ų | 25 | 58 Ų | 58 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 106.8 | 176.1 | -76.1 | 100.3 | 0 | 0 | 0 | 110.6 | W7 V15 L33 L35 V38 C45 Y55 N57 | W7-W174 AromaticContact CE3-CZ2 3.96Å; W7-W174 HydrophobicContact CE3-CZ2 3.96Å; W7-W174 HydrophobicContact CH2-CZ2 4.16Å; W7-W174 AromaticContact CZ3-CZ2 3.71Å; W7-W174 HydrophobicContact CZ3-CZ2 3.71Å; W7-W174 AromaticContact CZ3-NE1 3.88Å; V15-W174 HydrophobicContact CG1-CZ2 3.81Å; L33-W174 HydrophobicContact CD2-CB 3.38Å; L33-W174 HydrophobicContact CD2-CD2 4.01Å; L33-W174 HydrophobicContact CD2-CG 3.4Å; L35-W174 HydrophobicContact CD1-CD2 4.35Å; L35-W174 HydrophobicContact CD1-CE3 4.31Å; L35-W174 HydrophobicContact CD1-CH2 3.85Å; L35-W174 HydrophobicContact CD1-CZ2 3.92Å; L35-W174 HydrophobicContact CD1-CZ3 4.06Å; V38-W174 HydrophobicContact CG1-CH2 3.98Å; V38-W174 HydrophobicContact CG1-CZ2 4.36Å; C45-W174 HydrophobicContact CB-CH2 3.94Å; C45-W174 HydrophobicContact CB-CZ2 4.49Å; C45-W174 WeakPolarHBondContact O-CZ3 3.15Å; Y55-W174 HydrophobicContact CD1-CB 4.45Å; N57-W174 HydrophobicContact CB-CD2 3.7Å; N57-W174 HydrophobicContact CB-CE3 3.79Å; N57-W174 HydrophobicContact CB-CG 4.24Å; N57-W174 HydrophobicContact CB-CH2 4.2Å; N57-W174 HydrophobicContact CB-CZ2 4.07Å; N57-W174 HydrophobicContact CB-CZ3 4.06Å |
| 175 | A | 87.7 | Confident | 76.1 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 136.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y55 L56 S115 Y168 A170 | Y55-A175 CarbonylContact C-O 3.58Å; Y55-A175 WeakPolarHBondContact CA-O 3.21Å; L56-A175 PolarHBondContact N-O 2.93Å; L56-A175 WeakPolarHBondContact O-CB 3.42Å; L56-A175 PolarHBondContact O-N 3.37Å; S115-A175 WeakPolarHBondContact OG-CB 3.41Å; Y168-A175 WeakPolarHBondContact OH-CB 3.39Å; A170-A175 HydrophobicContact CB-CB 3.8Å |
| 176 | K | 86.4 | Confident | 74.6 | Confident | 70 Ų | 70 | 54 Ų | 54 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.9 | 174.6 | -177.3 | 165.2 | 176.9 | 151.6 | 0 | 110.4 | D51 H53 Y55 | D51-K176 IonicContact OD2-NZ 2.71Å; D51-K176 PolarHBondContact OD2-NZ 2.84Å; H53-K176 HydrophobicContact CB-CD 4.4Å; H53-K176 VanDerWaalsContact CB-CE 3.5Å; H53-K176 HydrophobicContact CB-CG 4.43Å; H53-K176 WeakPolarHBondContact CD2-CE 3.49Å; H53-K176 PolarHBondContact CD2-NZ 2.94Å; H53-K176 PolarHBondContact ND1-NZ 3.41Å; H53-K176 PolarHBondContact NE2-NZ 3.3Å; Y55-K176 HydrophobicContact CD1-CB 4.05Å; Y55-K176 HydrophobicContact CE1-CB 3.78Å; Y55-K176 HydrophobicContact CE1-CD 4.23Å; Y55-K176 HydrophobicContact CE1-CG 4.17Å |
| 177 | I | 85.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 128.1 | 179.1 | -59.5 | -176.3 | 0 | 0 | 0 | 109.7 | I54 L56 | I54-I177 HydrophobicContact CB-CB 4.42Å; I54-I177 HydrophobicContact CG2-CD1 4.01Å; I54-I177 PolarHBondContact O-N 3.48Å; L56-I177 HydrophobicContact CB-CD1 4Å; L56-I177 HydrophobicContact CB-CG1 4.16Å |
| 178 | P | 73 | Confident | 72.4 | Confident | 52 Ų | 52 | 51.6 Ų | 51.6 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 146 | 172.3 | -21.7 | 35.1 | 0 | 0 | 0 | 112.9 | P112 S113 | P112-P178 WeakPolarHBondContact O-CG 3.4Å; S113-P178 VanDerWaalsContact CB-CG 3.47Å |
| 179 | L | 65.1 | Low | 71.9 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | trans | -100.9 | 5.7 | -174.2 | -73.3 | 153 | 0 | 0 | 0 | 113.7 | H53 P185 L187 | H53-L179 WeakPolarHBondContact CD2-CD1 3.38Å; L179-P185 HydrophobicContact CD2-CG 4.02Å; L179-L187 HydrophobicContact CB-CD1 4.38Å; L179-L187 HydrophobicContact CD1-CD1 3.83Å; L179-L187 HydrophobicContact CD1-CD2 3.81Å; L179-L187 HydrophobicContact CD1-CG 4.44Å; L179-L187 HydrophobicContact CD2-CD2 3.94Å; L179-L187 HydrophobicContact CG-CD1 4.47Å; L179-L187 HydrophobicContact CG-CD2 4.46Å | ||
| 180 | D | 57 | Low | 71.4 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 54% | 0.535 | 28% | 0.277 | S | S | . | . | trans | -116.9 | 98.7 | -167.6 | -78.8 | -48.7 | 0 | 0 | 0 | 113 | K184 | D180-K184 VanDerWaalsContact OD1-CE 3.23Å; D180-K184 WeakPolarHBondContact OD1-CE 3.38Å; D180-K184 IonicContact OD1-NZ 2.69Å; D180-K184 PolarHBondContact OD1-NZ 2.95Å; D180-K184 IonicContact OD2-NZ 3.48Å | ||
| 181 | S | 51.4 | Low | 71.5 | Confident | 84 Ų | 84 | 49.2 Ų | 49.2 | 59% | 0.587 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 148 | 144.5 | 138.2 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 182 | P | 46.6 | Very low | 71.9 | Confident | 118 Ų | 118 | 47.5 Ų | 47.5 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | S | Bend | cis | -87.2 | -21.1 | -11.3 | 34.8 | -34.1 | 0 | 0 | 0 | 113 | ||
| 183 | K | 54.8 | Low | 72.4 | Confident | 142 Ų | 142 | 46.5 Ų | 46.5 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -101.2 | 137.6 | 169.3 | -67.9 | -179.6 | 179.3 | 177.7 | 0 | 108.6 | ||
| 184 | K | 57.5 | Low | 72.7 | Confident | 143 Ų | 143 | 43.4 Ų | 43.4 | 62% | 0.622 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -82.3 | 131.1 | 167.1 | -67.4 | 174.8 | -177.8 | -89.2 | 0 | 108 | D180 | D180-K184 VanDerWaalsContact OD1-CE 3.23Å; D180-K184 WeakPolarHBondContact OD1-CE 3.38Å; D180-K184 IonicContact OD1-NZ 2.69Å; D180-K184 PolarHBondContact OD1-NZ 2.95Å; D180-K184 IonicContact OD2-NZ 3.48Å |
| 185 | P | 59.7 | Low | 72.6 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 152.3 | 165.2 | 30.2 | -34.2 | 0 | 0 | 0 | 109.9 | L179 L187 W219 W234 | L179-P185 HydrophobicContact CD2-CG 4.02Å; P185-L187 PolarHBondContact O-N 2.83Å; P185-L187 VanDerWaalsContact O-N 3.07Å; P185-W219 HydrophobicContact CB-CD2 4.25Å; P185-W219 HydrophobicContact CB-CE3 4.13Å; P185-W219 HydrophobicContact CB-CZ3 4.49Å; P185-W234 HydrophobicContact CB-CB 4.38Å; P185-W234 HydrophobicContact CB-CG 4.36Å; P185-W234 HydrophobicContact CG-CG 4.2Å |
| 186 | P | 60 | Low | 72.4 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | trans | -63.4 | 110.7 | 171.8 | 27.3 | -33.1 | 0 | 0 | 0 | 108.5 | W219 | P186-W219 HydrophobicContact CG-CH2 4.5Å; P186-W219 HydrophobicContact CG-CZ2 3.54Å | ||
| 187 | L | 64.9 | Low | 72 | Confident | 67 Ų | 67 | 40 Ų | 40 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -88 | 139.6 | 176.4 | -76.4 | 162.6 | 0 | 0 | 0 | 109.4 | L179 P185 | L179-L187 HydrophobicContact CB-CD1 4.38Å; L179-L187 HydrophobicContact CD1-CD1 3.83Å; L179-L187 HydrophobicContact CD1-CD2 3.81Å; L179-L187 HydrophobicContact CD1-CG 4.44Å; L179-L187 HydrophobicContact CD2-CD2 3.94Å; L179-L187 HydrophobicContact CG-CD1 4.47Å; L179-L187 HydrophobicContact CG-CD2 4.46Å; P185-L187 PolarHBondContact O-N 2.83Å; P185-L187 VanDerWaalsContact O-N 3.07Å |
| 188 | P | 71.5 | Confident | 71.7 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | cis | -93.7 | 158.3 | 7.2 | 35.4 | -35.1 | 0 | 0 | 0 | 113.7 | H52 S213 Q214 S1000 | H52-P188 HydrophobicContact CB-CB 3.47Å; H52-P188 VanDerWaalsContact CB-CB 3.47Å; H52-P188 VanDerWaalsContact CG-CB 3.44Å; H52-P188 WeakPolarHBondContact ND1-CB 3.24Å; P188-S213 CarbonylContact O-C 3.59Å; P188-S213 WeakPolarHBondContact O-CA 3.21Å; P188-Q214 HydrophobicContact CG-CB 3.75Å; P188-Q214 PolarHBondContact O-N 2.89Å; P188-S1000 VanDerWaalsContact CD-CB 3.45Å; P188-S1000 WeakPolarHBondContact CD-OG 3.02Å |
| 189 | L | 78.1 | Confident | 71.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 140.8 | 157 | -61.4 | -178 | 0 | 0 | 0 | 110.5 | I48 I54 I192 V212 | I48-L189 HydrophobicContact CD1-CB 4.2Å; I54-L189 HydrophobicContact CD1-CD1 3.6Å; I54-L189 HydrophobicContact CG1-CD1 4.04Å; L189-I192 HydrophobicContact CD1-CG2 4.26Å; L189-V212 CarbonylContact C-O 3.58Å; L189-V212 VanDerWaalsContact CA-O 3.27Å; L189-V212 WeakPolarHBondContact CA-O 3.28Å; L189-V212 WeakPolarHBondContact CD2-O 3.41Å |
| 190 | C | 77.8 | Confident | 71.4 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -34.6 | 169.9 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | R37 V212 S213 | R37-C190 PolarHBondContact NE-O 2.86Å; R37-C190 PolarHBondContact NH2-O 3.34Å; C190-V212 PolarHBondContact N-O 3.16Å; C190-V212 PolarHBondContact SG-O 3.46Å; C190-V212 VanDerWaalsContact SG-O 3.34Å; C190-S213 PolarHBondContact SG-O 2.86Å; C190-S213 VanDerWaalsContact SG-O 3.38Å |
| 191 | D | 86.6 | Confident | 71.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.3 | -173.7 | -175 | 43.4 | 0 | 0 | 0 | 113.9 | R37 I48 G211 V212 Q245 L246 | R37-D191 WeakPolarHBondContact CD-OD1 3.49Å; R37-D191 IonicContact CZ-OD1 2.74Å; R37-D191 IonicContact NE-OD1 3.43Å; R37-D191 PolarHBondContact NE-OD1 3.03Å; R37-D191 VanDerWaalsContact NH1-CG 3.29Å; R37-D191 IonicContact NH1-OD1 2.63Å; R37-D191 PolarHBondContact NH1-OD1 3.29Å; R37-D191 IonicContact NH2-OD1 3.03Å; I48-D191 VanDerWaalsContact CD1-CA 3.46Å; D191-G211 CarbonylContact O-C 3.56Å; D191-G211 VanDerWaalsContact O-CA 3.29Å; D191-G211 WeakPolarHBondContact O-CA 3.41Å; D191-V212 HydrophobicContact CB-CB 4.03Å; D191-V212 HydrophobicContact CB-CG2 4.01Å; D191-V212 PolarHBondContact N-O 2.83Å; D191-V212 PolarHBondContact O-N 3.4Å; D191-Q245 WeakPolarHBondContact OD2-CA 3.36Å; D191-Q245 WeakPolarHBondContact OD2-CG 3.13Å; D191-L246 PolarHBondContact OD2-N 3.21Å |
| 192 | I | 91.4 | Very high | 71.2 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 148.6 | 169.7 | 53.8 | 170.1 | 0 | 0 | 0 | 111.1 | T39 W46 I48 L189 L209 W210 | T39-I192 HydrophobicContact CG2-CB 4.44Å; T39-I192 HydrophobicContact CG2-CD1 3.83Å; T39-I192 HydrophobicContact CG2-CG1 3.94Å; W46-I192 HydrophobicContact CB-CD1 3.84Å; I48-I192 HydrophobicContact CD1-CB 4.32Å; I48-I192 HydrophobicContact CD1-CG1 4Å; I48-I192 HydrophobicContact CD1-CG2 3.95Å; I48-I192 HydrophobicContact CG1-CD1 4.12Å; I48-I192 HydrophobicContact CG1-CG1 3.94Å; I48-I192 HydrophobicContact CG1-CG2 4.01Å; L189-I192 HydrophobicContact CD1-CG2 4.26Å; I192-L209 HydrophobicContact CB-CD1 4.33Å; I192-W210 CarbonylContact C-O 3.58Å; I192-W210 WeakPolarHBondContact CA-O 3.35Å; I192-W210 WeakPolarHBondContact CB-O 3.47Å |
| 193 | S | 92.4 | Very high | 71.3 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 132.3 | 169.4 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | W210 A248 | S193-W210 PolarHBondContact N-O 3Å; S193-W210 PolarHBondContact O-N 2.7Å; S193-A248 PolarHBondContact OG-N 3.44Å |
| 194 | C | 91.3 | Very high | 71 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149 | 170.9 | 71.8 | 0 | 0 | 0 | 0 | 111 | T39 W46 W197 Y208 L209 | T39-C194 HydrophobicContact CG2-CB 4.11Å; T39-C194 PolarHBondContact OG1-N 3.22Å; T39-C194 PolarHBondContact OG1-SG 2.84Å; W46-C194 HydrophobicContact CE3-CB 3.71Å; W46-C194 HydrophobicContact CZ3-CB 3.77Å; C194-W197 WeakPolarHBondContact O-CZ3 3.34Å; C194-Y208 CarbonylContact C-O 3.5Å; C194-Y208 WeakPolarHBondContact CA-O 3.2Å; C194-Y208 WeakPolarHBondContact CB-O 3.39Å; C194-L209 HydrophobicContact CB-CD1 4Å |
| 195 | G | 87.2 | Confident | 71 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | -167.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W197 P207 Y208 G249 | G195-W197 VanDerWaalsContact C-N 3.27Å; G195-W197 PolarHBondContact O-N 2.74Å; G195-P207 CarbonylContact O-C 3.58Å; G195-P207 VanDerWaalsContact O-CA 3.28Å; G195-P207 WeakPolarHBondContact O-CA 3.37Å; G195-Y208 PolarHBondContact N-O 2.88Å; G195-Y208 PolarHBondContact O-N 2.89Å; G195-G249 CarbonylContact C-O 3.55Å; G195-G249 WeakPolarHBondContact CA-O 3.39Å |
| 196 | G | 81.8 | Confident | 71.4 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | 68.8 | 9.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117 | E198 M199 G249 P250 | G196-E198 PolarHBondContact O-N 3.47Å; G196-M199 WeakPolarHBondContact O-CB 3.44Å; G196-M199 PolarHBondContact O-N 2.95Å; G196-G249 PolarHBondContact N-O 2.94Å; G196-P250 CarbonylContact C-O 3.52Å; G196-P250 WeakPolarHBondContact CA-O 3.49Å; G196-P250 PolarHBondContact N-O 2.89Å | ||
| 197 | W | 79.8 | Confident | 72.3 | Confident | 24 Ų | 24 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.6 | -179.6 | 61 | 71.8 | 0 | 0 | 0 | 114.6 | C194 G195 S200 P207 P250 L340 G531 | C194-W197 WeakPolarHBondContact O-CZ3 3.34Å; G195-W197 VanDerWaalsContact C-N 3.27Å; G195-W197 PolarHBondContact O-N 2.74Å; W197-S200 PolarHBondContact O-OG 2.84Å; W197-S200 VanDerWaalsContact O-OG 3.1Å; W197-P207 HydrophobicContact CB-CB 4.16Å; W197-P207 HydrophobicContact CB-CG 4.45Å; W197-P207 HydrophobicContact CE3-CB 4.36Å; W197-P250 HydrophobicContact CZ2-CB 3.96Å; W197-P250 HydrophobicContact CZ2-CG 3.76Å; W197-P250 PolarHBondContact N-O 3Å; W197-P250 VanDerWaalsContact N-O 3.16Å; W197-L340 HydrophobicContact CZ2-CD2 4.02Å; W197-L340 VanDerWaalsContact NE1-CD2 3.3Å; W197-G531 VanDerWaalsContact CZ2-O 3.25Å; W197-G531 WeakPolarHBondContact CZ2-O 3.21Å |
| 198 | E | 77.2 | Confident | 73.3 | Confident | 96 Ų | 96 | 42 Ų | 42 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -15 | 169.1 | -62.4 | -177 | -179 | 0 | 0 | 112 | G196 S200 P250 | G196-E198 PolarHBondContact O-N 3.47Å; E198-S200 VanDerWaalsContact C-N 3.35Å; E198-P250 HydrophobicContact CB-CB 4.35Å; E198-P250 WeakPolarHBondContact CB-O 3.32Å; E198-P250 VanDerWaalsContact CD-CB 3.49Å; E198-P250 HydrophobicContact CG-CB 3.78Å; E198-P250 PolarHBondContact N-O 2.73Å |
| 199 | M | 71.8 | Confident | 74.1 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 18% | 0.177 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -25.5 | 170.8 | -66.6 | -117.4 | -87.3 | 0 | 0 | 112.7 | G196 D201 Y208 D252 L271 | G196-M199 WeakPolarHBondContact O-CB 3.44Å; G196-M199 PolarHBondContact O-N 2.95Å; M199-D201 PolarHBondContact O-N 2.83Å; M199-Y208 HydrophobicContact CE-CE2 3.95Å; M199-D252 HydrophobicContact CE-CB 3.8Å; M199-D252 HydrophobicContact SD-CB 3.7Å; M199-L271 WeakPolarHBondContact O-CD1 3.47Å; M199-L271 WeakPolarHBondContact O-CD2 3.41Å; M199-L271 VanDerWaalsContact O-CG 3.32Å; M199-L271 WeakPolarHBondContact O-CG 3.39Å |
| 200 | S | 61.4 | Low | 74.8 | Confident | 42 Ų | 42 | 41.9 Ų | 41.9 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | trans | -71.4 | 118.8 | -178.7 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | W197 E198 R205 | W197-S200 PolarHBondContact O-OG 2.84Å; W197-S200 VanDerWaalsContact O-OG 3.1Å; E198-S200 VanDerWaalsContact C-N 3.35Å; S200-R205 WeakPolarHBondContact CB-O 3.46Å | ||
| 201 | D | 54.4 | Low | 75.4 | Confident | 86 Ų | 86 | 40.5 Ų | 40.5 | 46% | 0.46 | 21% | 0.206 | S | C | . | . | trans | -79.8 | -173.4 | 168 | 81.3 | -56.1 | 0 | 0 | 0 | 111.8 | M199 S203 | M199-D201 PolarHBondContact O-N 2.83Å; D201-S203 PolarHBondContact O-N 2.89Å; D201-S203 VanDerWaalsContact O-N 3.13Å; D201-S203 VanDerWaalsContact OD1-CB 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 3.23Å; D201-S203 PolarHBondContact OD1-OG 2.91Å; D201-S203 VanDerWaalsContact OD2-CB 3.27Å; D201-S203 WeakPolarHBondContact OD2-CB 3.26Å; D201-S203 PolarHBondContact OD2-N 2.77Å; D201-S203 PolarHBondContact OD2-OG 3.42Å | ||
| 202 | Q | 49.8 | Very low | 75.5 | Confident | 204 Ų | 204 | 40.4 Ų | 40.4 | 95% | 0.953 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.3 | 179.8 | -61.5 | -177 | 7.7 | 0 | 0 | 114 | G204 | Q202-G204 VanDerWaalsContact C-N 3.3Å; Q202-G204 PolarHBondContact O-N 3.45Å |
| 203 | S | 48.1 | Very low | 75.1 | Confident | 81 Ų | 81 | 40.2 Ų | 40.2 | 57% | 0.566 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -17.7 | 179.9 | 75.9 | 0 | 0 | 0 | 0 | 115.5 | D201 | D201-S203 PolarHBondContact O-N 2.89Å; D201-S203 VanDerWaalsContact O-N 3.13Å; D201-S203 VanDerWaalsContact OD1-CB 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.44Å; D201-S203 PolarHBondContact OD1-N 3.23Å; D201-S203 PolarHBondContact OD1-OG 2.91Å; D201-S203 VanDerWaalsContact OD2-CB 3.27Å; D201-S203 WeakPolarHBondContact OD2-CB 3.26Å; D201-S203 PolarHBondContact OD2-N 2.77Å; D201-S203 PolarHBondContact OD2-OG 3.42Å |
| 204 | G | 49.1 | Very low | 74.3 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | trans | 93.1 | 28.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q202 Y206 H225 | Q202-G204 VanDerWaalsContact C-N 3.3Å; Q202-G204 PolarHBondContact O-N 3.45Å; G204-Y206 VanDerWaalsContact O-CD2 3.24Å; G204-Y206 WeakPolarHBondContact O-CD2 3.47Å; G204-Y206 WeakPolarHBondContact O-CE2 3.43Å; G204-H225 PolarHBondContact O-ND1 2.85Å | ||
| 205 | R | 56.5 | Low | 73.6 | Confident | 115 Ų | 115 | 42.8 Ų | 42.8 | 43% | 0.434 | 22% | 0.216 | S | C | . | . | trans | -73.2 | 152.2 | 152.1 | -63 | -175.7 | -179.6 | 167.7 | 10.1 | 108.8 | S200 L271 D272 | S200-R205 WeakPolarHBondContact CB-O 3.46Å; R205-L271 PolarHBondContact NH1-O 3.01Å; R205-D272 IonicContact NH1-OD1 2.68Å; R205-D272 PolarHBondContact NH1-OD1 2.86Å | ||
| 206 | Y | 68.2 | Low | 73.3 | Confident | 79 Ų | 79 | 42.9 Ų | 42.9 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | trans | -133.6 | 168.2 | -169.2 | -86.7 | -98.2 | 0 | 0 | 0 | 110.9 | G204 Y208 I224 P226 | G204-Y206 VanDerWaalsContact O-CD2 3.24Å; G204-Y206 WeakPolarHBondContact O-CD2 3.47Å; G204-Y206 WeakPolarHBondContact O-CE2 3.43Å; Y206-Y208 PolarHBondContact O-N 3.25Å; Y206-I224 WeakPolarHBondContact CB-O 3.3Å; Y206-P226 HydrophobicContact CD2-CG 4.36Å; Y206-P226 HydrophobicContact CE1-CB 4.1Å; Y206-P226 HydrophobicContact CE2-CB 3.97Å; Y206-P226 HydrophobicContact CE2-CG 3.48Å; Y206-P226 VanDerWaalsContact CE2-CG 3.48Å; Y206-P226 WeakPolarHBondContact OH-CB 3.37Å | ||
| 207 | P | 78.6 | Confident | 73.5 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -43.6 | 134.7 | 176.9 | 10.4 | -29.7 | 0 | 0 | 0 | 114.2 | W46 G195 W197 | W46-P207 HydrophobicContact CH2-CB 4.29Å; W46-P207 HydrophobicContact CH2-CG 4.01Å; G195-P207 CarbonylContact O-C 3.58Å; G195-P207 VanDerWaalsContact O-CA 3.28Å; G195-P207 WeakPolarHBondContact O-CA 3.37Å; W197-P207 HydrophobicContact CB-CB 4.16Å; W197-P207 HydrophobicContact CB-CG 4.45Å; W197-P207 HydrophobicContact CE3-CB 4.36Å | ||
| 208 | Y | 85.9 | Confident | 74.1 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 146.9 | 169.7 | -51.9 | -43.9 | 0 | 0 | 0 | 109.7 | C194 G195 M199 Y206 F220 P274 | C194-Y208 CarbonylContact C-O 3.5Å; C194-Y208 WeakPolarHBondContact CA-O 3.2Å; C194-Y208 WeakPolarHBondContact CB-O 3.39Å; G195-Y208 PolarHBondContact N-O 2.88Å; G195-Y208 PolarHBondContact O-N 2.89Å; M199-Y208 HydrophobicContact CE-CE2 3.95Å; Y206-Y208 PolarHBondContact O-N 3.25Å; Y208-F220 AromaticContact CD1-CE2 3.91Å; Y208-F220 HydrophobicContact CD1-CE2 3.91Å; Y208-F220 AromaticContact CD1-CZ 3.91Å; Y208-F220 HydrophobicContact CD1-CZ 3.91Å; Y208-F220 HydrophobicContact CG-CE2 4.04Å; Y208-P274 HydrophobicContact CD1-CB 4.23Å; Y208-P274 HydrophobicContact CE1-CB 3.58Å |
| 209 | L | 89.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122 | 170.4 | 176.4 | 73.5 | 0 | 0 | 0 | 108.6 | T39 W46 I192 C194 R221 I224 W234 | T39-L209 HydrophobicContact CG2-CD1 4.35Å; W46-L209 HydrophobicContact CB-CD1 4.16Å; W46-L209 HydrophobicContact CD2-CD1 4.27Å; W46-L209 HydrophobicContact CG-CD1 4Å; W46-L209 HydrophobicContact CG-CD2 4.2Å; I192-L209 HydrophobicContact CB-CD1 4.33Å; C194-L209 HydrophobicContact CB-CD1 4Å; L209-R221 HydrophobicContact CB-CB 3.97Å; L209-R221 HydrophobicContact CD2-CB 4.21Å; L209-R221 HydrophobicContact CD2-CG 4.39Å; L209-R221 HydrophobicContact CG-CB 4.39Å; L209-R221 WeakPolarHBondContact O-CB 3.32Å; L209-R221 PolarHBondContact O-N 3.29Å; L209-I224 HydrophobicContact CB-CD1 3.71Å; L209-W234 HydrophobicContact CD2-CH2 4.12Å; L209-W234 HydrophobicContact CD2-CZ2 4.38Å; L209-W234 HydrophobicContact CG-CH2 4.32Å |
| 210 | W | 91.4 | Very high | 75.5 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 150.3 | 176.5 | -63.8 | 86.1 | 0 | 0 | 0 | 109.9 | I192 S193 V218 W219 F220 V237 L246 L254 L269 T275 | I192-W210 CarbonylContact C-O 3.58Å; I192-W210 WeakPolarHBondContact CA-O 3.35Å; I192-W210 WeakPolarHBondContact CB-O 3.47Å; S193-W210 PolarHBondContact N-O 3Å; S193-W210 PolarHBondContact O-N 2.7Å; W210-V218 HydrophobicContact CE3-CG1 3.77Å; W210-V218 HydrophobicContact CZ3-CG1 3.98Å; W210-W219 CarbonylContact C-O 3.53Å; W210-W219 WeakPolarHBondContact CA-O 3.28Å; W210-F220 HydrophobicContact CD2-CD2 4.07Å; W210-F220 AromaticContact CE2-CD2 3.73Å; W210-F220 HydrophobicContact CE3-CB 4.3Å; W210-F220 HydrophobicContact CE3-CD2 4.34Å; W210-F220 HydrophobicContact CH2-CD2 4.05Å; W210-F220 AromaticContact CZ2-CD2 3.71Å; W210-F220 HydrophobicContact CZ2-CD2 3.71Å; W210-F220 HydrophobicContact CZ2-CE2 4.17Å; W210-F220 HydrophobicContact CZ3-CB 4.23Å; W210-F220 HydrophobicContact CZ3-CD2 4.35Å; W210-V237 HydrophobicContact CH2-CG2 4.33Å; W210-V237 HydrophobicContact CZ3-CB 4.17Å; W210-V237 HydrophobicContact CZ3-CG1 4.27Å; W210-V237 HydrophobicContact CZ3-CG2 3.85Å; W210-L246 HydrophobicContact CB-CD1 3.88Å; W210-L254 HydrophobicContact CD2-CD1 4.42Å; W210-L254 HydrophobicContact CD2-CD2 3.9Å; W210-L254 HydrophobicContact CE3-CD2 4.06Å; W210-L254 HydrophobicContact CG-CD1 4.34Å; W210-L254 HydrophobicContact CH2-CD2 3.73Å; W210-L254 HydrophobicContact CZ2-CD2 3.58Å; W210-L254 HydrophobicContact CZ3-CD2 3.97Å; W210-L269 HydrophobicContact CZ2-CD2 4.1Å; W210-T275 HydrophobicContact CH2-CG2 4.41Å |
| 211 | G | 90.3 | Very high | 76.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D191 W219 | D191-G211 CarbonylContact O-C 3.56Å; D191-G211 VanDerWaalsContact O-CA 3.29Å; D191-G211 WeakPolarHBondContact O-CA 3.41Å; G211-W219 PolarHBondContact N-O 3.07Å; G211-W219 PolarHBondContact O-N 2.89Å |
| 212 | V | 88.8 | Confident | 78 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.5 | 174.9 | -167.2 | 0 | 0 | 0 | 0 | 109 | L189 C190 D191 Q217 V243 L246 | L189-V212 CarbonylContact C-O 3.58Å; L189-V212 VanDerWaalsContact CA-O 3.27Å; L189-V212 WeakPolarHBondContact CA-O 3.28Å; L189-V212 WeakPolarHBondContact CD2-O 3.41Å; C190-V212 PolarHBondContact N-O 3.16Å; C190-V212 PolarHBondContact SG-O 3.46Å; C190-V212 VanDerWaalsContact SG-O 3.34Å; D191-V212 HydrophobicContact CB-CB 4.03Å; D191-V212 HydrophobicContact CB-CG2 4.01Å; D191-V212 PolarHBondContact N-O 2.83Å; D191-V212 PolarHBondContact O-N 3.4Å; V212-Q217 WeakPolarHBondContact CA-O 3.06Å; V212-V243 HydrophobicContact CG1-CB 3.92Å; V212-V243 HydrophobicContact CG1-CG1 3.92Å; V212-V243 VanDerWaalsContact CG1-O 3.31Å; V212-V243 WeakPolarHBondContact CG1-O 3.48Å; V212-V243 HydrophobicContact CG2-CG1 3.97Å; V212-L246 HydrophobicContact CG2-CB 4.21Å; V212-L246 HydrophobicContact CG2-CD1 3.56Å; V212-L246 HydrophobicContact CG2-CG 3.55Å |
| 213 | S | 83.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 160.3 | 176.5 | 83 | 0 | 0 | 0 | 0 | 112.3 | P188 C190 Q215 G216 Q217 | P188-S213 CarbonylContact O-C 3.59Å; P188-S213 WeakPolarHBondContact O-CA 3.21Å; C190-S213 PolarHBondContact SG-O 2.86Å; C190-S213 VanDerWaalsContact SG-O 3.38Å; S213-Q215 PolarHBondContact O-N 2.92Å; S213-Q215 VanDerWaalsContact O-N 3.14Å; S213-Q215 PolarHBondContact OG-N 3.13Å; S213-Q215 PolarHBondContact OG-OE1 2.99Å; S213-G216 PolarHBondContact O-N 2.98Å; S213-G216 PolarHBondContact OG-N 3.16Å; S213-Q217 PolarHBondContact N-O 2.88Å; S213-Q217 WeakPolarHBondContact OG-CB 3.19Å; S213-Q217 PolarHBondContact OG-N 2.83Å; S213-Q217 VanDerWaalsContact OG-N 3.15Å |
| 214 | Q | 75.5 | Confident | 81.2 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -11.9 | 174.3 | 178.7 | 161.8 | 18 | 0 | 0 | 113.1 | P188 W259 Y1012 | P188-Q214 HydrophobicContact CG-CB 3.75Å; P188-Q214 PolarHBondContact O-N 2.89Å; Q214-W259 WeakPolarHBondContact O-CZ2 3.22Å; Q214-Y1012 HydrophobicContact CG-CE2 4.48Å; Q214-Y1012 WeakPolarHBondContact CG-OH 3.41Å; Q214-Y1012 PolarHBondContact O-OH 2.85Å; Q214-Y1012 VanDerWaalsContact O-OH 3.06Å |
| 215 | Q | 75.7 | Confident | 82.6 | Confident | 48 Ų | 48 | 28.2 Ų | 28.2 | 22% | 0.224 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.2 | 171 | -43.6 | 80.4 | 2.7 | 0 | 0 | 112.6 | S213 Q217 E1009 | S213-Q215 PolarHBondContact O-N 2.92Å; S213-Q215 VanDerWaalsContact O-N 3.14Å; S213-Q215 PolarHBondContact OG-N 3.13Å; S213-Q215 PolarHBondContact OG-OE1 2.99Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q215-E1009 PolarHBondContact NE2-OE2 3.36Å |
| 216 | G | 81.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 78.3 | 11.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S213 V243 | S213-G216 PolarHBondContact O-N 2.98Å; S213-G216 PolarHBondContact OG-N 3.16Å; G216-V243 VanDerWaalsContact CA-O 3.3Å; G216-V243 WeakPolarHBondContact CA-O 3.24Å; G216-V243 PolarHBondContact O-N 3.21Å |
| 217 | Q | 87.1 | Confident | 84.4 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 27% | 0.266 | 14% | 0.14 | S | C | . | . | trans | -80.6 | 146.9 | 175.8 | -60.3 | 165.4 | -90.6 | 0 | 0 | 110.6 | V212 S213 Q215 E236 | V212-Q217 WeakPolarHBondContact CA-O 3.06Å; S213-Q217 PolarHBondContact N-O 2.88Å; S213-Q217 WeakPolarHBondContact OG-CB 3.19Å; S213-Q217 PolarHBondContact OG-N 2.83Å; S213-Q217 VanDerWaalsContact OG-N 3.15Å; Q215-Q217 PolarHBondContact O-N 2.86Å; Q217-E236 PolarHBondContact NE2-OE1 2.88Å | ||
| 218 | V | 90.9 | Very high | 84.7 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.8 | -178.7 | 170 | 0 | 0 | 0 | 0 | 111.8 | W210 V237 V239 V243 L246 | W210-V218 HydrophobicContact CE3-CG1 3.77Å; W210-V218 HydrophobicContact CZ3-CG1 3.98Å; V218-V237 HydrophobicContact CG1-CB 4.33Å; V218-V237 PolarHBondContact O-N 3.44Å; V218-V239 HydrophobicContact CB-CG1 3.87Å; V218-V239 HydrophobicContact CG2-CG1 3.62Å; V218-V243 HydrophobicContact CG2-CB 3.97Å; V218-V243 HydrophobicContact CG2-CG1 4.19Å; V218-V243 HydrophobicContact CG2-CG2 3.76Å; V218-L246 HydrophobicContact CG1-CD1 3.76Å; V218-L246 HydrophobicContact CG2-CD1 4.03Å; V218-L246 HydrophobicContact CG2-CD2 4.43Å; V218-L246 HydrophobicContact CG2-CG 4.5Å |
| 219 | W | 89.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 5% | 0.045 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.7 | -171.9 | -65.7 | 81.2 | 0 | 0 | 0 | 111.8 | P185 P186 W210 G211 W234 E235 E236 | P185-W219 HydrophobicContact CB-CD2 4.25Å; P185-W219 HydrophobicContact CB-CE3 4.13Å; P185-W219 HydrophobicContact CB-CZ3 4.49Å; P186-W219 HydrophobicContact CG-CH2 4.5Å; P186-W219 HydrophobicContact CG-CZ2 3.54Å; W210-W219 CarbonylContact C-O 3.53Å; W210-W219 WeakPolarHBondContact CA-O 3.28Å; G211-W219 PolarHBondContact N-O 3.07Å; G211-W219 PolarHBondContact O-N 2.89Å; W219-W234 HydrophobicContact CB-CE3 3.71Å; W219-W234 HydrophobicContact CB-CZ3 4.01Å; W219-W234 HydrophobicContact CE3-CB 4.14Å; W219-E235 CarbonylContact C-O 3.5Å; W219-E235 VanDerWaalsContact CA-O 3.28Å; W219-E235 WeakPolarHBondContact CA-O 3.28Å; W219-E236 HydrophobicContact CD2-CB 4.31Å; W219-E236 HydrophobicContact CD2-CG 4.41Å; W219-E236 HydrophobicContact CE3-CB 4.07Å; W219-E236 HydrophobicContact CH2-CB 3.52Å; W219-E236 HydrophobicContact CH2-CG 3.86Å; W219-E236 WeakPolarHBondContact CH2-OE2 3.49Å; W219-E236 HydrophobicContact CZ2-CB 3.71Å; W219-E236 HydrophobicContact CZ2-CG 3.49Å; W219-E236 VanDerWaalsContact CZ2-CG 3.49Å; W219-E236 WeakPolarHBondContact CZ2-OE2 3.33Å; W219-E236 HydrophobicContact CZ3-CB 3.72Å; W219-E236 HydrophobicContact CZ3-CG 4.43Å |
| 220 | F | 89.6 | Confident | 84.4 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.7 | -179.6 | 176.2 | -97.3 | 0 | 0 | 0 | 110.7 | Y208 W210 E222 W234 E235 V237 P274 T275 | Y208-F220 AromaticContact CD1-CE2 3.91Å; Y208-F220 HydrophobicContact CD1-CE2 3.91Å; Y208-F220 AromaticContact CD1-CZ 3.91Å; Y208-F220 HydrophobicContact CD1-CZ 3.91Å; Y208-F220 HydrophobicContact CG-CE2 4.04Å; W210-F220 HydrophobicContact CD2-CD2 4.07Å; W210-F220 AromaticContact CE2-CD2 3.73Å; W210-F220 HydrophobicContact CE3-CB 4.3Å; W210-F220 HydrophobicContact CE3-CD2 4.34Å; W210-F220 HydrophobicContact CH2-CD2 4.05Å; W210-F220 AromaticContact CZ2-CD2 3.71Å; W210-F220 HydrophobicContact CZ2-CD2 3.71Å; W210-F220 HydrophobicContact CZ2-CE2 4.17Å; W210-F220 HydrophobicContact CZ3-CB 4.23Å; W210-F220 HydrophobicContact CZ3-CD2 4.35Å; F220-E222 HydrophobicContact CD1-CG 4.17Å; F220-E222 HydrophobicContact CE1-CG 4.27Å; F220-W234 VanDerWaalsContact C-CE3 3.41Å; F220-W234 WeakPolarHBondContact O-CA 3.37Å; F220-E235 PolarHBondContact N-O 3.33Å; F220-E235 PolarHBondContact O-N 2.86Å; F220-V237 HydrophobicContact CB-CG2 4.07Å; F220-P274 HydrophobicContact CE2-CB 4.43Å; F220-P274 HydrophobicContact CZ-CB 3.93Å; F220-P274 HydrophobicContact CZ-CG 4.3Å; F220-T275 HydrophobicContact CB-CG2 4.04Å; F220-T275 HydrophobicContact CD1-CG2 3.72Å; F220-T275 HydrophobicContact CD2-CG2 4.03Å; F220-T275 HydrophobicContact CE1-CG2 4.15Å; F220-T275 HydrophobicContact CE2-CG2 4.41Å; F220-T275 HydrophobicContact CG-CG2 3.67Å; F220-T275 HydrophobicContact CZ-CG2 4.48Å |
| 221 | R | 86.8 | Confident | 84.1 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 6% | 0.064 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 112.3 | 178.9 | -172.3 | 77.5 | -177.5 | 139.5 | -2.7 | 110.9 | L209 I224 E230 G231 T232 S233 W234 | L209-R221 HydrophobicContact CB-CB 3.97Å; L209-R221 HydrophobicContact CD2-CB 4.21Å; L209-R221 HydrophobicContact CD2-CG 4.39Å; L209-R221 HydrophobicContact CG-CB 4.39Å; L209-R221 WeakPolarHBondContact O-CB 3.32Å; L209-R221 PolarHBondContact O-N 3.29Å; R221-I224 HydrophobicContact CB-CD1 3.94Å; R221-I224 HydrophobicContact CG-CD1 3.72Å; R221-I224 HydrophobicContact CG-CG1 3.93Å; R221-E230 PolarHBondContact NE-O 3.43Å; R221-E230 PolarHBondContact NH2-O 2.91Å; R221-G231 PolarHBondContact NH2-O 3.1Å; R221-G231 VanDerWaalsContact NH2-O 3.17Å; R221-T232 PolarHBondContact NH1-O 3.21Å; R221-T232 PolarHBondContact NH2-O 2.91Å; R221-T232 VanDerWaalsContact NH2-O 3.15Å; R221-S233 WeakPolarHBondContact CD-O 3.38Å; R221-S233 PolarHBondContact NH1-O 2.93Å; R221-W234 HydrophobicContact CB-CD2 4.39Å; R221-W234 HydrophobicContact CB-CE3 4.11Å; R221-W234 HydrophobicContact CB-CH2 3.81Å; R221-W234 HydrophobicContact CB-CZ2 4.05Å; R221-W234 HydrophobicContact CB-CZ3 3.84Å; R221-W234 HydrophobicContact CG-CZ2 4.27Å; R221-W234 VanDerWaalsContact NH1-CD1 3.31Å |
| 222 | E | 82.8 | Confident | 83.6 | Confident | 77 Ų | 77 | 32.5 Ų | 32.5 | 36% | 0.36 | 16% | 0.163 | S | C | . | . | trans | -78.7 | 162.3 | 175.8 | -64.2 | -172.5 | 93.3 | 0 | 0 | 113.3 | F220 I224 G231 T232 S233 E235 | F220-E222 HydrophobicContact CD1-CG 4.17Å; F220-E222 HydrophobicContact CE1-CG 4.27Å; E222-I224 VanDerWaalsContact C-N 3.28Å; E222-I224 PolarHBondContact O-N 2.83Å; E222-G231 CarbonylContact O-C 3.55Å; E222-G231 VanDerWaalsContact O-CA 3.31Å; E222-G231 WeakPolarHBondContact O-CA 3.38Å; E222-T232 PolarHBondContact O-N 2.89Å; E222-T232 PolarHBondContact O-OG1 2.79Å; E222-S233 PolarHBondContact N-O 2.97Å; E222-S233 WeakPolarHBondContact OE2-CB 3.45Å; E222-S233 PolarHBondContact OE2-OG 3.2Å; E222-E235 HydrophobicContact CG-CB 4.49Å | ||
| 223 | G | 79.3 | Confident | 83.2 | Confident | 22 Ų | 22 | 33.4 Ų | 33.4 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | trans | 68.8 | 16.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | H225 | G223-H225 VanDerWaalsContact C-CD2 3.48Å; G223-H225 PolarHBondContact O-CD2 2.84Å; G223-H225 PolarHBondContact O-N 2.98Å | ||
| 224 | I | 84.3 | Confident | 83.3 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | trans | -67.6 | 123.6 | 170.7 | -62.7 | 165 | 0 | 0 | 0 | 108.3 | Y206 L209 R221 E222 | Y206-I224 WeakPolarHBondContact CB-O 3.3Å; L209-I224 HydrophobicContact CB-CD1 3.71Å; R221-I224 HydrophobicContact CB-CD1 3.94Å; R221-I224 HydrophobicContact CG-CD1 3.72Å; R221-I224 HydrophobicContact CG-CG1 3.93Å; E222-I224 VanDerWaalsContact C-N 3.28Å; E222-I224 PolarHBondContact O-N 2.83Å | ||
| 225 | H | 80.1 | Confident | 83.9 | Confident | 80 Ų | 80 | 36.7 Ų | 36.7 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | trans | -145.9 | -178.6 | -174.3 | -76 | -58.9 | 0 | 0 | 0 | 110.4 | R44 G204 G223 V228 | R44-H225 PolarHBondContact NH2-O 2.76Å; G204-H225 PolarHBondContact O-ND1 2.85Å; G223-H225 VanDerWaalsContact C-CD2 3.48Å; G223-H225 PolarHBondContact O-CD2 2.84Å; G223-H225 PolarHBondContact O-N 2.98Å; H225-V228 HydrophobicContact CB-CB 4.39Å; H225-V228 PolarHBondContact N-O 3.22Å; H225-V228 CarbonylContact O-C 2.95Å | ||
| 226 | P | 78.4 | Confident | 84.4 | Confident | 53 Ų | 53 | 39 Ų | 39 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -77.1 | -35.8 | 177.7 | 21.9 | -14.6 | 0 | 0 | 0 | 111.2 | I65 Y206 | I65-P226 WeakPolarHBondContact CG2-O 3.37Å; Y206-P226 HydrophobicContact CD2-CG 4.36Å; Y206-P226 HydrophobicContact CE1-CB 4.1Å; Y206-P226 HydrophobicContact CE2-CB 3.97Å; Y206-P226 HydrophobicContact CE2-CG 3.48Å; Y206-P226 VanDerWaalsContact CE2-CG 3.48Å; Y206-P226 WeakPolarHBondContact OH-CB 3.37Å |
| 227 | R | 82.8 | Confident | 84.8 | Confident | 163 Ų | 163 | 39.3 Ų | 39.3 | 62% | 0.615 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -87.2 | -3.5 | 176.8 | -54.4 | -176.5 | -173.9 | 157.9 | 1.7 | 113.5 | R66 Y67 W116 | R66-R227 WeakPolarHBondContact O-CG 3.35Å; Y67-R227 HydrophobicContact CD2-CB 3.9Å; Y67-R227 WeakPolarHBondContact CD2-O 3.45Å; W116-R227 VanDerWaalsContact CH2-O 3.22Å; W116-R227 WeakPolarHBondContact CH2-O 3.43Å |
| 228 | V | 84.9 | Confident | 84.9 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | trans | -142.7 | 75.6 | 175.8 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | Y67 H225 E230 G231 T232 | Y67-V228 HydrophobicContact CD2-CG2 3.59Å; Y67-V228 HydrophobicContact CE2-CG2 3.63Å; H225-V228 HydrophobicContact CB-CB 4.39Å; H225-V228 PolarHBondContact N-O 3.22Å; H225-V228 CarbonylContact O-C 2.95Å; V228-E230 VanDerWaalsContact C-N 3.31Å; V228-E230 PolarHBondContact O-N 3.04Å; V228-G231 PolarHBondContact O-N 3.48Å; V228-T232 HydrophobicContact CG1-CG2 4.29Å | ||
| 229 | P | 83.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20.7 | -173.3 | 29.9 | -36.9 | 0 | 0 | 0 | 114.2 | L56 I58 I65 Y168 G231 | L56-P229 HydrophobicContact CD2-CB 4.21Å; L56-P229 WeakPolarHBondContact CD2-O 3.31Å; I58-P229 HydrophobicContact CD1-CB 3.42Å; I58-P229 VanDerWaalsContact CD1-CB 3.42Å; I58-P229 HydrophobicContact CD1-CG 3.51Å; I65-P229 HydrophobicContact CD1-CG 4.42Å; Y168-P229 HydrophobicContact CD2-CG 4.18Å; Y168-P229 HydrophobicContact CE2-CG 4.14Å; Y168-P229 HydrophobicContact CG-CG 4.45Å; P229-G231 VanDerWaalsContact C-N 3.3Å |
| 230 | E | 85.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 2% | 0.023 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.5 | 179.1 | -61.2 | 167.9 | 137.8 | 0 | 0 | 113.6 | L56 S113 W116 Y168 R221 V228 | L56-E230 HydrophobicContact CD2-CG 4.26Å; S113-E230 VanDerWaalsContact CB-OE1 3.3Å; S113-E230 WeakPolarHBondContact CB-OE1 3.2Å; S113-E230 PolarHBondContact OG-OE1 3.14Å; S113-E230 PolarHBondContact OG-OE2 3.07Å; W116-E230 PolarHBondContact NE1-OE2 3.37Å; Y168-E230 HydrophobicContact CE2-CG 4.07Å; R221-E230 PolarHBondContact NE-O 3.43Å; R221-E230 PolarHBondContact NH2-O 2.91Å; V228-E230 VanDerWaalsContact C-N 3.31Å; V228-E230 PolarHBondContact O-N 3.04Å |
| 231 | G | 84.6 | Confident | 84.6 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | trans | 69.9 | -176.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R221 E222 V228 P229 | R221-G231 PolarHBondContact NH2-O 3.1Å; R221-G231 VanDerWaalsContact NH2-O 3.17Å; E222-G231 CarbonylContact O-C 3.55Å; E222-G231 VanDerWaalsContact O-CA 3.31Å; E222-G231 WeakPolarHBondContact O-CA 3.38Å; V228-G231 PolarHBondContact O-N 3.48Å; P229-G231 VanDerWaalsContact C-N 3.3Å | ||
| 232 | T | 79.8 | Confident | 84.6 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -115.3 | -64.5 | 179 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | R221 E222 V228 | R221-T232 PolarHBondContact NH1-O 3.21Å; R221-T232 PolarHBondContact NH2-O 2.91Å; R221-T232 VanDerWaalsContact NH2-O 3.15Å; E222-T232 PolarHBondContact O-N 2.89Å; E222-T232 PolarHBondContact O-OG1 2.79Å; V228-T232 HydrophobicContact CG1-CG2 4.29Å |
| 233 | S | 82.1 | Confident | 84.9 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | trans | -119.2 | 168.8 | -165.2 | 162 | 0 | 0 | 0 | 0 | 112.1 | R221 E222 | R221-S233 WeakPolarHBondContact CD-O 3.38Å; R221-S233 PolarHBondContact NH1-O 2.93Å; E222-S233 PolarHBondContact N-O 2.97Å; E222-S233 WeakPolarHBondContact OE2-CB 3.45Å; E222-S233 PolarHBondContact OE2-OG 3.2Å | ||
| 234 | W | 85.6 | Confident | 85.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.2 | 170.9 | -80.7 | 105.9 | 0 | 0 | 0 | 108.9 | I54 P185 L209 W219 F220 R221 | I54-W234 HydrophobicContact CD1-CH2 4.06Å; I54-W234 HydrophobicContact CD1-CZ2 3.33Å; P185-W234 HydrophobicContact CB-CB 4.38Å; P185-W234 HydrophobicContact CB-CG 4.36Å; P185-W234 HydrophobicContact CG-CG 4.2Å; L209-W234 HydrophobicContact CD2-CH2 4.12Å; L209-W234 HydrophobicContact CD2-CZ2 4.38Å; L209-W234 HydrophobicContact CG-CH2 4.32Å; W219-W234 HydrophobicContact CB-CE3 3.71Å; W219-W234 HydrophobicContact CB-CZ3 4.01Å; W219-W234 HydrophobicContact CE3-CB 4.14Å; F220-W234 VanDerWaalsContact C-CE3 3.41Å; F220-W234 WeakPolarHBondContact O-CA 3.37Å; R221-W234 HydrophobicContact CB-CD2 4.39Å; R221-W234 HydrophobicContact CB-CE3 4.11Å; R221-W234 HydrophobicContact CB-CH2 3.81Å; R221-W234 HydrophobicContact CB-CZ2 4.05Å; R221-W234 HydrophobicContact CB-CZ3 3.84Å; R221-W234 HydrophobicContact CG-CZ2 4.27Å; R221-W234 VanDerWaalsContact NH1-CD1 3.31Å |
| 235 | E | 86.6 | Confident | 85.6 | Confident | 83 Ų | 83 | 56.3 Ų | 56.3 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.6 | 174.7 | -175.3 | 172.9 | -135.3 | 0 | 0 | 110.2 | W219 F220 E222 | W219-E235 CarbonylContact C-O 3.5Å; W219-E235 VanDerWaalsContact CA-O 3.28Å; W219-E235 WeakPolarHBondContact CA-O 3.28Å; F220-E235 PolarHBondContact N-O 3.33Å; F220-E235 PolarHBondContact O-N 2.86Å; E222-E235 HydrophobicContact CG-CB 4.49Å |
| 236 | E | 87.6 | Confident | 86.3 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.9 | 173.4 | -166.9 | 167.3 | -176.4 | 0 | 0 | 109.4 | Q217 W219 | Q217-E236 PolarHBondContact NE2-OE1 2.88Å; W219-E236 HydrophobicContact CD2-CB 4.31Å; W219-E236 HydrophobicContact CD2-CG 4.41Å; W219-E236 HydrophobicContact CE3-CB 4.07Å; W219-E236 HydrophobicContact CH2-CB 3.52Å; W219-E236 HydrophobicContact CH2-CG 3.86Å; W219-E236 WeakPolarHBondContact CH2-OE2 3.49Å; W219-E236 HydrophobicContact CZ2-CB 3.71Å; W219-E236 HydrophobicContact CZ2-CG 3.49Å; W219-E236 VanDerWaalsContact CZ2-CG 3.49Å; W219-E236 WeakPolarHBondContact CZ2-OE2 3.33Å; W219-E236 HydrophobicContact CZ3-CB 3.72Å; W219-E236 HydrophobicContact CZ3-CG 4.43Å |
| 237 | V | 89.9 | Confident | 87 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 5% | 0.048 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 113.7 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | W210 V218 F220 V239 T275 | W210-V237 HydrophobicContact CH2-CG2 4.33Å; W210-V237 HydrophobicContact CZ3-CB 4.17Å; W210-V237 HydrophobicContact CZ3-CG1 4.27Å; W210-V237 HydrophobicContact CZ3-CG2 3.85Å; V218-V237 HydrophobicContact CG1-CB 4.33Å; V218-V237 PolarHBondContact O-N 3.44Å; F220-V237 HydrophobicContact CB-CG2 4.07Å; V237-V239 PolarHBondContact O-N 2.76Å; V237-T275 HydrophobicContact CG2-CG2 3.92Å |
| 238 | E | 88.5 | Confident | 87.4 | Confident | 173 Ų | 173 | 43.4 Ų | 43.4 | 81% | 0.808 | 23% | 0.228 | S | C | * | . | trans | -55.2 | 132.5 | -177.6 | -66.5 | -175.1 | 170.6 | 0 | 0 | 111.9 | W279 | E238-W279 PolarHBondContact O-NE1 3.33Š| ||
| 239 | V | 89 | Confident | 87.6 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | trans | -122 | 145 | 176.6 | -77.3 | 0 | 0 | 0 | 0 | 109.6 | V218 V237 R241 V243 W279 | V218-V239 HydrophobicContact CB-CG1 3.87Å; V218-V239 HydrophobicContact CG2-CG1 3.62Å; V237-V239 PolarHBondContact O-N 2.76Å; V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.08Å; V239-V243 HydrophobicContact CB-CG2 4.3Å; V239-V243 HydrophobicContact CG1-CG2 3.94Å; V239-V243 HydrophobicContact CG2-CG2 4.45Å; V239-W279 HydrophobicContact CG1-CZ2 3.7Å | ||
| 240 | P | 87.5 | Confident | 87.6 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 57% | 0.571 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -74 | -20 | -178.6 | 31.2 | -36.3 | 0 | 0 | 0 | 113.1 | L264 W279 | P240-L264 HydrophobicContact CG-CD1 3.6Å; P240-W279 HydrophobicContact CG-CB 4.38Å |
| 241 | R | 87.5 | Confident | 87.5 | Confident | 110 Ų | 110 | 43.2 Ų | 43.2 | 42% | 0.415 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -153.9 | 160.2 | -172 | -59.8 | -173.6 | 66.5 | -153.3 | -5.9 | 110.2 | V239 V243 L258 D260 | V239-R241 VanDerWaalsContact C-N 3.28Å; V239-R241 PolarHBondContact O-N 3.08Å; R241-V243 PolarHBondContact O-N 3.25Å; R241-L258 HydrophobicContact CB-CD1 3.84Å; R241-L258 HydrophobicContact CB-CD2 3.84Å; R241-L258 HydrophobicContact CB-CG 4.47Å; R241-L258 HydrophobicContact CG-CD1 4.34Å; R241-D260 IonicContact CZ-OD1 2.72Å; R241-D260 IonicContact CZ-OD2 2.67Å; R241-D260 IonicContact NH1-OD1 2.71Å; R241-D260 IonicContact NH1-OD2 3.42Å; R241-D260 PolarHBondContact NH1-OD2 2.93Å; R241-D260 VanDerWaalsContact NH2-CG 3.26Å; R241-D260 IonicContact NH2-OD1 3.21Å; R241-D260 IonicContact NH2-OD2 2.61Å; R241-D260 PolarHBondContact NH2-OD2 3.46Å |
| 242 | E | 87.1 | Confident | 87.5 | Confident | 116 Ų | 116 | 44.5 Ų | 44.5 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | trans | -65.2 | 120.6 | -177.5 | -65.1 | 170.4 | 179.9 | 0 | 0 | 112.5 | L258 W259 | E242-L258 WeakPolarHBondContact O-CD2 3.39Å; E242-W259 HydrophobicContact CB-CG 4.3Å; E242-W259 VanDerWaalsContact O-CD1 3.24Å; E242-W259 PolarHBondContact O-N 3.44Å | ||
| 243 | V | 88.8 | Confident | 88 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.4 | -177.3 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V212 G216 V218 V239 R241 Q245 L246 A256 L258 W259 | V212-V243 HydrophobicContact CG1-CB 3.92Å; V212-V243 HydrophobicContact CG1-CG1 3.92Å; V212-V243 VanDerWaalsContact CG1-O 3.31Å; V212-V243 WeakPolarHBondContact CG1-O 3.48Å; V212-V243 HydrophobicContact CG2-CG1 3.97Å; G216-V243 VanDerWaalsContact CA-O 3.3Å; G216-V243 WeakPolarHBondContact CA-O 3.24Å; G216-V243 PolarHBondContact O-N 3.21Å; V218-V243 HydrophobicContact CG2-CB 3.97Å; V218-V243 HydrophobicContact CG2-CG1 4.19Å; V218-V243 HydrophobicContact CG2-CG2 3.76Å; V239-V243 HydrophobicContact CB-CG2 4.3Å; V239-V243 HydrophobicContact CG1-CG2 3.94Å; V239-V243 HydrophobicContact CG2-CG2 4.45Å; R241-V243 PolarHBondContact O-N 3.25Å; V243-Q245 WeakPolarHBondContact CG1-O 3.11Å; V243-L246 HydrophobicContact CG1-CD2 4.24Å; V243-L246 HydrophobicContact CG1-CG 4.22Å; V243-A256 HydrophobicContact CG1-CB 4.09Å; V243-A256 HydrophobicContact CG2-CB 4.28Å; V243-L258 HydrophobicContact CG2-CD2 4.01Å; V243-W259 VanDerWaalsContact C-NE1 3.35Å; V243-W259 PolarHBondContact O-NE1 3.21Å |
| 244 | A | 86.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 40 Ų | 40 | 28% | 0.281 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | -33.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L257 W259 | A244-L257 PolarHBondContact N-O 2.78Å; A244-W259 HydrophobicContact CB-CG 4.46Å |
| 245 | Q | 91.4 | Very high | 88.9 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.5 | -176.7 | -170.3 | -122.5 | -42.9 | 0 | 0 | 110.9 | D191 V243 A256 L257 H293 V294 | D191-Q245 WeakPolarHBondContact OD2-CA 3.36Å; D191-Q245 WeakPolarHBondContact OD2-CG 3.13Å; V243-Q245 WeakPolarHBondContact CG1-O 3.11Å; Q245-A256 WeakPolarHBondContact O-CA 3.34Å; Q245-L257 HydrophobicContact CB-CB 4.24Å; Q245-L257 PolarHBondContact N-O 3.07Å; Q245-L257 PolarHBondContact O-N 2.86Å; Q245-H293 PolarHBondContact NE2-CE1 3.38Å; Q245-H293 VanDerWaalsContact NE2-CE1 3.26Å; Q245-H293 PolarHBondContact OE1-ND1 3.49Å; Q245-H293 VanDerWaalsContact OE1-ND1 3.13Å; Q245-V294 PolarHBondContact NE2-O 3.22Å |
| 246 | L | 93.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 155.4 | 169.6 | -71 | 170.9 | 0 | 0 | 0 | 111.2 | D191 W210 V212 V218 V243 L254 W255 A256 W279 | D191-L246 PolarHBondContact OD2-N 3.21Å; W210-L246 HydrophobicContact CB-CD1 3.88Å; V212-L246 HydrophobicContact CG2-CB 4.21Å; V212-L246 HydrophobicContact CG2-CD1 3.56Å; V212-L246 HydrophobicContact CG2-CG 3.55Å; V218-L246 HydrophobicContact CG1-CD1 3.76Å; V218-L246 HydrophobicContact CG2-CD1 4.03Å; V218-L246 HydrophobicContact CG2-CD2 4.43Å; V218-L246 HydrophobicContact CG2-CG 4.5Å; V243-L246 HydrophobicContact CG1-CD2 4.24Å; V243-L246 HydrophobicContact CG1-CG 4.22Å; L246-L254 HydrophobicContact CB-CD1 4.49Å; L246-L254 HydrophobicContact CD2-CD1 4.26Å; L246-W255 WeakPolarHBondContact CA-O 3.28Å; L246-A256 HydrophobicContact CD2-CB 3.52Å; L246-W279 HydrophobicContact CD2-CH2 4.05Å |
| 247 | S | 93.5 | Very high | 89.5 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 118.5 | 161.6 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L254 W255 V294 A295 V296 | S247-L254 WeakPolarHBondContact O-CA 3.31Å; S247-W255 PolarHBondContact N-O 3.09Å; S247-W255 PolarHBondContact O-N 2.88Å; S247-V294 WeakPolarHBondContact CB-O 3.43Å; S247-A295 WeakPolarHBondContact OG-CA 3.34Å; S247-V296 WeakPolarHBondContact O-CG2 3.5Å; S247-V296 PolarHBondContact OG-N 2.85Å |
| 248 | A | 91.9 | Very high | 89.5 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S193 L254 | S193-A248 PolarHBondContact OG-N 3.44Å; A248-L254 HydrophobicContact CB-CD1 3.84Å |
| 249 | G | 88.1 | Confident | 89.1 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | trans | -79.2 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G195 G196 G251 L253 V296 | G195-G249 CarbonylContact C-O 3.55Å; G195-G249 WeakPolarHBondContact CA-O 3.39Å; G196-G249 PolarHBondContact N-O 2.94Å; G249-G251 PolarHBondContact O-N 3.17Å; G249-L253 PolarHBondContact N-O 2.87Å; G249-V296 WeakPolarHBondContact CA-O 3.26Å | ||
| 250 | P | 85 | Confident | 88.6 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -62.5 | -29.3 | 173.7 | -22.9 | 35.4 | 0 | 0 | 0 | 113.8 | G196 W197 E198 G297 V298 | G196-P250 CarbonylContact C-O 3.52Å; G196-P250 WeakPolarHBondContact CA-O 3.49Å; G196-P250 PolarHBondContact N-O 2.89Å; W197-P250 HydrophobicContact CZ2-CB 3.96Å; W197-P250 HydrophobicContact CZ2-CG 3.76Å; W197-P250 PolarHBondContact N-O 3Å; W197-P250 VanDerWaalsContact N-O 3.16Å; E198-P250 HydrophobicContact CB-CB 4.35Å; E198-P250 WeakPolarHBondContact CB-O 3.32Å; E198-P250 VanDerWaalsContact CD-CB 3.49Å; E198-P250 HydrophobicContact CG-CB 3.78Å; E198-P250 PolarHBondContact N-O 2.73Å; P250-G297 VanDerWaalsContact CD-C 3.42Å; P250-G297 WeakPolarHBondContact CD-O 2.87Å; P250-V298 HydrophobicContact CB-CG2 4.03Å; P250-V298 HydrophobicContact CG-CG2 3.79Å |
| 251 | G | 82.7 | Confident | 88.4 | Confident | 16 Ų | 16 | 24.2 Ų | 24.2 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -97.1 | -132.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G249 | G249-G251 PolarHBondContact O-N 3.17Š|
| 252 | D | 85.5 | Confident | 88.5 | Confident | 33 Ų | 33 | 21.3 Ų | 21.3 | 18% | 0.176 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -97.4 | 3.2 | -175.6 | 68.8 | -45.6 | 0 | 0 | 0 | 114.9 | M199 L269 S318 | M199-D252 HydrophobicContact CE-CB 3.8Å; M199-D252 HydrophobicContact SD-CB 3.7Å; D252-L269 HydrophobicContact CB-CB 4.33Å; D252-L269 WeakPolarHBondContact O-CB 3.17Å; D252-L269 WeakPolarHBondContact O-CD1 3.38Å; D252-S318 VanDerWaalsContact CG-OG 3.29Å; D252-S318 WeakPolarHBondContact OD1-CB 3.28Å; D252-S318 PolarHBondContact OD1-OG 2.88Å; D252-S318 WeakPolarHBondContact OD2-CA 3.22Å; D252-S318 WeakPolarHBondContact OD2-CB 3.32Å; D252-S318 PolarHBondContact OD2-OG 3.23Å |
| 253 | L | 89.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | -86.1 | 130.6 | -178 | -60.7 | 176.3 | 0 | 0 | 0 | 112.1 | G249 V296 V298 V316 P321 | G249-L253 PolarHBondContact N-O 2.87Å; L253-V296 HydrophobicContact CB-CG1 3.41Å; L253-V296 VanDerWaalsContact CB-CG1 3.41Å; L253-V296 HydrophobicContact CD1-CG1 4.22Å; L253-V296 HydrophobicContact CG-CG1 4.48Å; L253-V298 WeakPolarHBondContact CD1-O 3.42Å; L253-V316 HydrophobicContact CD1-CG1 3.71Å; L253-V316 HydrophobicContact CD2-CG1 3.93Å; L253-V316 HydrophobicContact CG-CG1 4.48Å; L253-P321 HydrophobicContact CD2-CB 4.02Å | ||
| 254 | L | 92.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 120.5 | 172.7 | 173.9 | 69 | 0 | 0 | 0 | 109.6 | W210 L246 S247 A248 V265 R266 L269 W279 | W210-L254 HydrophobicContact CD2-CD1 4.42Å; W210-L254 HydrophobicContact CD2-CD2 3.9Å; W210-L254 HydrophobicContact CE3-CD2 4.06Å; W210-L254 HydrophobicContact CG-CD1 4.34Å; W210-L254 HydrophobicContact CH2-CD2 3.73Å; W210-L254 HydrophobicContact CZ2-CD2 3.58Å; W210-L254 HydrophobicContact CZ3-CD2 3.97Å; L246-L254 HydrophobicContact CB-CD1 4.49Å; L246-L254 HydrophobicContact CD2-CD1 4.26Å; S247-L254 WeakPolarHBondContact O-CA 3.31Å; A248-L254 HydrophobicContact CB-CD1 3.84Å; L254-V265 WeakPolarHBondContact O-CG2 3.48Å; L254-R266 HydrophobicContact CB-CB 4.07Å; L254-R266 HydrophobicContact CD2-CB 3.9Å; L254-R266 HydrophobicContact CD2-CG 4.22Å; L254-R266 HydrophobicContact CG-CB 4.22Å; L254-R266 PolarHBondContact O-N 2.87Å; L254-L269 HydrophobicContact CB-CD1 3.51Å; L254-L269 HydrophobicContact CD2-CD1 4.21Å; L254-W279 HydrophobicContact CD2-CH2 4.1Å; L254-W279 HydrophobicContact CG-CH2 4.45Å |
| 255 | W | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151.6 | 175.4 | -74.1 | 51.7 | 0 | 0 | 0 | 111 | L246 S247 L263 L264 V265 V282 V294 V296 V301 R313 V316 P321 W326 | L246-W255 WeakPolarHBondContact CA-O 3.28Å; S247-W255 PolarHBondContact N-O 3.09Å; S247-W255 PolarHBondContact O-N 2.88Å; W255-L263 HydrophobicContact CE3-CB 4.38Å; W255-L263 HydrophobicContact CZ3-CB 4.35Å; W255-L263 HydrophobicContact CZ3-CD1 4.24Å; W255-L264 CarbonylContact C-O 3.58Å; W255-L264 WeakPolarHBondContact CA-O 3.43Å; W255-V265 HydrophobicContact CD2-CB 4.31Å; W255-V265 HydrophobicContact CD2-CG2 4.41Å; W255-V265 HydrophobicContact CG-CB 4.34Å; W255-V265 HydrophobicContact CG-CG2 4.17Å; W255-V282 HydrophobicContact CH2-CB 4.34Å; W255-V282 HydrophobicContact CH2-CG1 3.84Å; W255-V282 HydrophobicContact CH2-CG2 4.2Å; W255-V282 HydrophobicContact CZ3-CB 4.22Å; W255-V282 HydrophobicContact CZ3-CG1 4.07Å; W255-V282 HydrophobicContact CZ3-CG2 4.3Å; W255-V294 HydrophobicContact CB-CG2 4.02Å; W255-V294 HydrophobicContact CE3-CG2 4.24Å; W255-V296 HydrophobicContact CB-CG2 3.69Å; W255-V296 HydrophobicContact CG-CG2 3.77Å; W255-V301 HydrophobicContact CD2-CG1 3.88Å; W255-V301 HydrophobicContact CD2-CG2 4.35Å; W255-V301 HydrophobicContact CE3-CG1 3.97Å; W255-V301 HydrophobicContact CG-CG1 4.4Å; W255-V301 HydrophobicContact CH2-CG1 4.21Å; W255-V301 HydrophobicContact CZ2-CB 4.26Å; W255-V301 HydrophobicContact CZ2-CG1 4.15Å; W255-V301 HydrophobicContact CZ2-CG2 3.95Å; W255-V301 HydrophobicContact CZ3-CG1 4.14Å; W255-R313 HydrophobicContact CH2-CG 4.1Å; W255-R313 HydrophobicContact CZ2-CG 4.49Å; W255-V316 HydrophobicContact CZ2-CG2 4.33Å; W255-P321 VanDerWaalsContact CZ2-O 3.27Å; W255-P321 WeakPolarHBondContact CZ2-O 3.33Å; W255-P321 PolarHBondContact NE1-O 3.36Å; W255-W326 HydrophobicContact CH2-CH2 4.23Å; W255-W326 HydrophobicContact CH2-CZ2 4.32Å; W255-W326 AromaticContact CZ3-CH2 3.94Å; W255-W326 HydrophobicContact CZ3-CH2 3.94Å; W255-W326 HydrophobicContact CZ3-CZ2 4.06Å |
| 256 | A | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V243 Q245 L246 L263 L264 W279 | V243-A256 HydrophobicContact CG1-CB 4.09Å; V243-A256 HydrophobicContact CG2-CB 4.28Å; Q245-A256 WeakPolarHBondContact O-CA 3.34Å; L246-A256 HydrophobicContact CD2-CB 3.52Å; A256-L263 WeakPolarHBondContact O-CA 3.48Å; A256-L264 HydrophobicContact CB-CB 4.28Å; A256-L264 PolarHBondContact N-O 2.85Å; A256-L264 PolarHBondContact O-N 2.83Å; A256-W279 HydrophobicContact CB-CH2 4.17Å; A256-W279 HydrophobicContact CB-CZ3 3.82Å |
| 257 | L | 92.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.7 | 169.2 | 176 | 63.4 | 0 | 0 | 0 | 108.6 | A244 Q245 L263 A291 L292 V294 | A244-L257 PolarHBondContact N-O 2.78Å; Q245-L257 HydrophobicContact CB-CB 4.24Å; Q245-L257 PolarHBondContact N-O 3.07Å; Q245-L257 PolarHBondContact O-N 2.86Å; L257-L263 HydrophobicContact CB-CD2 4.42Å; L257-L263 HydrophobicContact CD1-CD2 3.85Å; L257-A291 HydrophobicContact CD1-CB 3.59Å; L257-L292 VanDerWaalsContact CD2-C 3.43Å; L257-L292 VanDerWaalsContact CD2-O 3.31Å; L257-L292 WeakPolarHBondContact CD2-O 3.44Å; L257-V294 HydrophobicContact CB-CG1 4.09Å |
| 258 | L | 88.7 | Confident | 88.9 | Confident | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 164 | 177.4 | -62.2 | -179.4 | 0 | 0 | 0 | 112 | R241 E242 V243 D260 G261 N262 L264 | R241-L258 HydrophobicContact CB-CD1 3.84Å; R241-L258 HydrophobicContact CB-CD2 3.84Å; R241-L258 HydrophobicContact CB-CG 4.47Å; R241-L258 HydrophobicContact CG-CD1 4.34Å; E242-L258 WeakPolarHBondContact O-CD2 3.39Å; V243-L258 HydrophobicContact CG2-CD2 4.01Å; L258-D260 WeakPolarHBondContact CB-OD1 3.35Å; L258-D260 PolarHBondContact O-N 2.82Å; L258-G261 PolarHBondContact O-N 2.78Å; L258-N262 WeakPolarHBondContact CB-O 3.46Å; L258-N262 HydrophobicContact CD1-CB 4.19Å; L258-N262 PolarHBondContact N-O 2.79Å; L258-L264 HydrophobicContact CD1-CD1 4.15Å; L258-L264 HydrophobicContact CD1-CD2 4.16Å; L258-L264 HydrophobicContact CD1-CG 3.99Å; L258-L264 HydrophobicContact CD2-CD1 3.86Å; L258-L264 HydrophobicContact CD2-CG 4.24Å; L258-L264 HydrophobicContact CG-CD1 4.26Å; L258-L264 HydrophobicContact CG-CG 4.11Å |
| 259 | W | 79.8 | Confident | 88.7 | Confident | 97 Ų | 97 | 17.7 Ų | 17.7 | 37% | 0.367 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.6 | -178.7 | -75.5 | 38.1 | 0 | 0 | 0 | 113.9 | Q214 E242 V243 A244 G261 Y1012 | Q214-W259 WeakPolarHBondContact O-CZ2 3.22Å; E242-W259 HydrophobicContact CB-CG 4.3Å; E242-W259 VanDerWaalsContact O-CD1 3.24Å; E242-W259 PolarHBondContact O-N 3.44Å; V243-W259 VanDerWaalsContact C-NE1 3.35Å; V243-W259 PolarHBondContact O-NE1 3.21Å; A244-W259 HydrophobicContact CB-CG 4.46Å; W259-G261 VanDerWaalsContact C-N 3.33Å; W259-Y1012 HydrophobicContact CH2-CD1 4.43Å; W259-Y1012 AromaticContact CH2-CE1 3.64Å; W259-Y1012 HydrophobicContact CH2-CE1 3.64Å; W259-Y1012 HydrophobicContact CZ3-CD1 4.26Å; W259-Y1012 AromaticContact CZ3-CE1 3.86Å; W259-Y1012 HydrophobicContact CZ3-CE1 3.86Å |
| 260 | D | 80.2 | Confident | 88.4 | Confident | 51 Ų | 51 | 19.8 Ų | 19.8 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 10.1 | 174.5 | 70 | -22.9 | 0 | 0 | 0 | 113.4 | R241 L258 N262 E290 | R241-D260 IonicContact CZ-OD1 2.72Å; R241-D260 IonicContact CZ-OD2 2.67Å; R241-D260 IonicContact NH1-OD1 2.71Å; R241-D260 IonicContact NH1-OD2 3.42Å; R241-D260 PolarHBondContact NH1-OD2 2.93Å; R241-D260 VanDerWaalsContact NH2-CG 3.26Å; R241-D260 IonicContact NH2-OD1 3.21Å; R241-D260 IonicContact NH2-OD2 2.61Å; R241-D260 PolarHBondContact NH2-OD2 3.46Å; L258-D260 WeakPolarHBondContact CB-OD1 3.35Å; L258-D260 PolarHBondContact O-N 2.82Å; D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 VanDerWaalsContact CG-ND2 3.33Å; D260-N262 PolarHBondContact O-N 2.97Å; D260-N262 PolarHBondContact OD1-N 3.05Å; D260-N262 PolarHBondContact OD2-ND2 3.25Å; D260-E290 WeakPolarHBondContact O-CG 3.16Å |
| 261 | G | 83.4 | Confident | 88 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 76.4 | 7.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L258 W259 A291 | L258-G261 PolarHBondContact O-N 2.78Å; W259-G261 VanDerWaalsContact C-N 3.33Å; G261-A291 WeakPolarHBondContact O-CB 3.26Å; G261-A291 PolarHBondContact O-N 2.76Å |
| 262 | N | 89.6 | Confident | 87.8 | Confident | 48 Ų | 48 | 28.2 Ų | 28.2 | 26% | 0.257 | 16% | 0.155 | S | C | . | . | trans | -79.9 | 156 | 171.9 | -77.5 | -56.8 | 0 | 0 | 0 | 111.8 | L258 D260 | L258-N262 WeakPolarHBondContact CB-O 3.46Å; L258-N262 HydrophobicContact CD1-CB 4.19Å; L258-N262 PolarHBondContact N-O 2.79Å; D260-N262 VanDerWaalsContact C-N 3.29Å; D260-N262 VanDerWaalsContact CG-ND2 3.33Å; D260-N262 PolarHBondContact O-N 2.97Å; D260-N262 PolarHBondContact OD1-N 3.05Å; D260-N262 PolarHBondContact OD2-ND2 3.25Å | ||
| 263 | L | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.5 | -171 | -66.1 | 166.8 | 0 | 0 | 0 | 110.9 | W255 A256 L257 V282 A291 V294 V303 W326 | W255-L263 HydrophobicContact CE3-CB 4.38Å; W255-L263 HydrophobicContact CZ3-CB 4.35Å; W255-L263 HydrophobicContact CZ3-CD1 4.24Å; A256-L263 WeakPolarHBondContact O-CA 3.48Å; L257-L263 HydrophobicContact CB-CD2 4.42Å; L257-L263 HydrophobicContact CD1-CD2 3.85Å; L263-V282 HydrophobicContact CB-CB 4.39Å; L263-V282 PolarHBondContact O-N 3.49Å; L263-A291 HydrophobicContact CD2-CB 4.39Å; L263-V294 HydrophobicContact CD2-CB 4.29Å; L263-V303 HydrophobicContact CD1-CG2 4.02Å; L263-V303 HydrophobicContact CD2-CG2 4.4Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CD1-CZ2 3.64Å |
| 264 | L | 94.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155 | 170.6 | -52.5 | -178.7 | 0 | 0 | 0 | 110.9 | P240 W255 A256 L258 W279 L280 E281 | P240-L264 HydrophobicContact CG-CD1 3.6Å; W255-L264 CarbonylContact C-O 3.58Å; W255-L264 WeakPolarHBondContact CA-O 3.43Å; A256-L264 HydrophobicContact CB-CB 4.28Å; A256-L264 PolarHBondContact N-O 2.85Å; A256-L264 PolarHBondContact O-N 2.83Å; L258-L264 HydrophobicContact CD1-CD1 4.15Å; L258-L264 HydrophobicContact CD1-CD2 4.16Å; L258-L264 HydrophobicContact CD1-CG 3.99Å; L258-L264 HydrophobicContact CD2-CD1 3.86Å; L258-L264 HydrophobicContact CD2-CG 4.24Å; L258-L264 HydrophobicContact CG-CD1 4.26Å; L258-L264 HydrophobicContact CG-CG 4.11Å; L264-W279 HydrophobicContact CB-CE3 3.95Å; L264-W279 HydrophobicContact CD1-CB 4.48Å; L264-L280 CarbonylContact C-O 3.59Å; L264-L280 VanDerWaalsContact CA-O 3.24Å; L264-L280 WeakPolarHBondContact CA-O 3.15Å; L264-E281 HydrophobicContact CD2-CB 3.83Å; L264-E281 HydrophobicContact CD2-CG 4.08Å |
| 265 | V | 94 | Very high | 87 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 136.5 | 171.2 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | L254 W255 W279 L280 V282 P321 | L254-V265 WeakPolarHBondContact O-CG2 3.48Å; W255-V265 HydrophobicContact CD2-CB 4.31Å; W255-V265 HydrophobicContact CD2-CG2 4.41Å; W255-V265 HydrophobicContact CG-CB 4.34Å; W255-V265 HydrophobicContact CG-CG2 4.17Å; V265-W279 WeakPolarHBondContact O-CA 3.48Å; V265-L280 HydrophobicContact CG1-CB 4.12Å; V265-L280 PolarHBondContact N-O 3.37Å; V265-L280 PolarHBondContact O-N 2.99Å; V265-V282 HydrophobicContact CB-CG2 4.28Å; V265-V282 HydrophobicContact CG1-CG2 3.8Å; V265-P321 HydrophobicContact CG2-CB 3.81Å |
| 266 | R | 92.9 | Very high | 86.7 | Confident | 23 Ų | 23 | 31.6 Ų | 31.6 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 140.9 | 174.8 | -167.3 | 74.8 | 178.6 | 163.2 | 5.5 | 109.3 | L254 L269 T275 G276 I277 S278 W279 | L254-R266 HydrophobicContact CB-CB 4.07Å; L254-R266 HydrophobicContact CD2-CB 3.9Å; L254-R266 HydrophobicContact CD2-CG 4.22Å; L254-R266 HydrophobicContact CG-CB 4.22Å; L254-R266 PolarHBondContact O-N 2.87Å; R266-L269 HydrophobicContact CB-CD1 3.95Å; R266-L269 HydrophobicContact CG-CD1 3.95Å; R266-L269 HydrophobicContact CG-CD2 4.48Å; R266-L269 HydrophobicContact CG-CG 4.04Å; R266-T275 PolarHBondContact NE-O 3.02Å; R266-T275 PolarHBondContact NH2-O 2.92Å; R266-G276 VanDerWaalsContact NH2-C 3.33Å; R266-G276 PolarHBondContact NH2-O 2.8Å; R266-I277 PolarHBondContact NH2-O 2.93Å; R266-S278 CarbonylContact C-O 3.54Å; R266-S278 WeakPolarHBondContact CA-O 3.44Å; R266-W279 HydrophobicContact CB-CD2 4.45Å; R266-W279 HydrophobicContact CB-CE3 3.94Å; R266-W279 HydrophobicContact CB-CH2 4.12Å; R266-W279 HydrophobicContact CB-CZ3 3.76Å |
| 267 | T | 90.2 | Very high | 86.4 | Confident | 25 Ų | 25 | 37.7 Ų | 37.7 | 15% | 0.153 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.5 | -179.1 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | L269 I277 S278 L280 P321 | T267-L269 VanDerWaalsContact C-N 3.33Å; T267-I277 PolarHBondContact O-N 2.79Å; T267-S278 PolarHBondContact N-O 2.8Å; T267-S278 PolarHBondContact O-N 2.87Å; T267-S278 PolarHBondContact OG1-O 2.83Å; T267-S278 PolarHBondContact OG1-OG 3.15Å; T267-L280 HydrophobicContact CG2-CD1 3.73Å; T267-L280 HydrophobicContact CG2-CG 3.98Å; T267-P321 HydrophobicContact CG2-CG 3.89Å |
| 268 | G | 84.4 | Confident | 86.3 | Confident | 37 Ų | 37 | 39.7 Ų | 39.7 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | trans | 79.7 | 10.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S270 | G268-S270 PolarHBondContact O-N 2.96Š| ||
| 269 | L | 86.5 | Confident | 86.6 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | trans | -59.7 | 132.4 | 168.9 | -75.2 | 165.1 | 0 | 0 | 0 | 109.7 | W210 D252 L254 R266 T267 P274 | W210-L269 HydrophobicContact CZ2-CD2 4.1Å; D252-L269 HydrophobicContact CB-CB 4.33Å; D252-L269 WeakPolarHBondContact O-CB 3.17Å; D252-L269 WeakPolarHBondContact O-CD1 3.38Å; L254-L269 HydrophobicContact CB-CD1 3.51Å; L254-L269 HydrophobicContact CD2-CD1 4.21Å; R266-L269 HydrophobicContact CB-CD1 3.95Å; R266-L269 HydrophobicContact CG-CD1 3.95Å; R266-L269 HydrophobicContact CG-CD2 4.48Å; R266-L269 HydrophobicContact CG-CG 4.04Å; T267-L269 VanDerWaalsContact C-N 3.33Å; L269-P274 WeakPolarHBondContact CD2-O 3.41Å | ||
| 270 | S | 82.9 | Confident | 87.2 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | trans | -161.7 | 169 | -178.7 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | G268 D272 S273 | G268-S270 PolarHBondContact O-N 2.96Å; S270-D272 PolarHBondContact O-N 2.9Å; S270-D272 VanDerWaalsContact O-N 3.17Å; S270-S273 PolarHBondContact N-O 2.86Å; S270-S273 CarbonylContact O-C 3.55Å; S270-S273 PolarHBondContact O-N 2.85Å; S270-S273 VanDerWaalsContact O-N 3.16Å; S270-S273 WeakPolarHBondContact OG-CB 3.4Å; S270-S273 PolarHBondContact OG-N 2.87Å; S270-S273 VanDerWaalsContact OG-N 3.12Å | ||
| 271 | L | 75.8 | Confident | 87.8 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -50.9 | -38.5 | 174 | -95.8 | 175.8 | 0 | 0 | 0 | 113 | M199 R205 | M199-L271 WeakPolarHBondContact O-CD1 3.47Å; M199-L271 WeakPolarHBondContact O-CD2 3.41Å; M199-L271 VanDerWaalsContact O-CG 3.32Å; M199-L271 WeakPolarHBondContact O-CG 3.39Å; R205-L271 PolarHBondContact NH1-O 3.01Å |
| 272 | D | 78.7 | Confident | 88.2 | Confident | 138 Ų | 138 | 43.9 Ų | 43.9 | 74% | 0.738 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -95.1 | -11.3 | -177.4 | -64 | -42.1 | 0 | 0 | 0 | 114.2 | R205 S270 | R205-D272 IonicContact NH1-OD1 2.68Å; R205-D272 PolarHBondContact NH1-OD1 2.86Å; S270-D272 PolarHBondContact O-N 2.9Å; S270-D272 VanDerWaalsContact O-N 3.17Å |
| 273 | S | 83.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -130.5 | 78.2 | 170.2 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | S270 T275 G276 | S270-S273 PolarHBondContact N-O 2.86Å; S270-S273 CarbonylContact O-C 3.55Å; S270-S273 PolarHBondContact O-N 2.85Å; S270-S273 VanDerWaalsContact O-N 3.16Å; S270-S273 WeakPolarHBondContact OG-CB 3.4Å; S270-S273 PolarHBondContact OG-N 2.87Å; S270-S273 VanDerWaalsContact OG-N 3.12Å; S273-T275 PolarHBondContact O-N 3.08Å; S273-G276 PolarHBondContact O-N 3.35Å; S273-G276 VanDerWaalsContact O-N 3.13Å | ||
| 274 | P | 81.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16 | -173 | 29.7 | -36.9 | 0 | 0 | 0 | 113.6 | Y208 F220 L269 | Y208-P274 HydrophobicContact CD1-CB 4.23Å; Y208-P274 HydrophobicContact CE1-CB 3.58Å; F220-P274 HydrophobicContact CE2-CB 4.43Å; F220-P274 HydrophobicContact CZ-CB 3.93Å; F220-P274 HydrophobicContact CZ-CG 4.3Å; L269-P274 WeakPolarHBondContact CD2-O 3.41Å |
| 275 | T | 86.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -9.3 | 173.2 | 46.7 | 0 | 0 | 0 | 0 | 113.4 | W210 F220 V237 R266 S273 | W210-T275 HydrophobicContact CH2-CG2 4.41Å; F220-T275 HydrophobicContact CB-CG2 4.04Å; F220-T275 HydrophobicContact CD1-CG2 3.72Å; F220-T275 HydrophobicContact CD2-CG2 4.03Å; F220-T275 HydrophobicContact CE1-CG2 4.15Å; F220-T275 HydrophobicContact CE2-CG2 4.41Å; F220-T275 HydrophobicContact CG-CG2 3.67Å; F220-T275 HydrophobicContact CZ-CG2 4.48Å; V237-T275 HydrophobicContact CG2-CG2 3.92Å; R266-T275 PolarHBondContact NE-O 3.02Å; R266-T275 PolarHBondContact NH2-O 2.92Å; S273-T275 PolarHBondContact O-N 3.08Å |
| 276 | G | 87.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | trans | 65.6 | -176.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R266 S273 | R266-G276 VanDerWaalsContact NH2-C 3.33Å; R266-G276 PolarHBondContact NH2-O 2.8Å; S273-G276 PolarHBondContact O-N 3.35Å; S273-G276 VanDerWaalsContact O-N 3.13Å | ||
| 277 | I | 87.9 | Confident | 85.9 | Confident | 127 Ų | 127 | 61 Ų | 61 | 65% | 0.651 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -105 | -52.4 | -165.4 | -56.4 | 173.9 | 0 | 0 | 0 | 112.1 | R266 T267 | R266-I277 PolarHBondContact NH2-O 2.93Å; T267-I277 PolarHBondContact O-N 2.79Å |
| 278 | S | 91 | Very high | 85.4 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 164.5 | -171 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | R266 T267 | R266-S278 CarbonylContact C-O 3.54Å; R266-S278 WeakPolarHBondContact CA-O 3.44Å; T267-S278 PolarHBondContact N-O 2.8Å; T267-S278 PolarHBondContact O-N 2.87Å; T267-S278 PolarHBondContact OG1-O 2.83Å; T267-S278 PolarHBondContact OG1-OG 3.15Å |
| 279 | W | 94 | Very high | 85.3 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144 | 173 | -62.7 | 100.4 | 0 | 0 | 0 | 111.1 | E238 V239 P240 L246 L254 A256 L264 V265 R266 | E238-W279 PolarHBondContact O-NE1 3.33Å; V239-W279 HydrophobicContact CG1-CZ2 3.7Å; P240-W279 HydrophobicContact CG-CB 4.38Å; L246-W279 HydrophobicContact CD2-CH2 4.05Å; L254-W279 HydrophobicContact CD2-CH2 4.1Å; L254-W279 HydrophobicContact CG-CH2 4.45Å; A256-W279 HydrophobicContact CB-CH2 4.17Å; A256-W279 HydrophobicContact CB-CZ3 3.82Å; L264-W279 HydrophobicContact CB-CE3 3.95Å; L264-W279 HydrophobicContact CD1-CB 4.48Å; V265-W279 WeakPolarHBondContact O-CA 3.48Å; R266-W279 HydrophobicContact CB-CD2 4.45Å; R266-W279 HydrophobicContact CB-CE3 3.94Å; R266-W279 HydrophobicContact CB-CH2 4.12Å; R266-W279 HydrophobicContact CB-CZ3 3.76Å |
| 280 | L | 92.9 | Very high | 85.3 | Confident | 83 Ų | 83 | 72.4 Ų | 72.4 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.8 | 168.9 | -62.5 | 179.5 | 0 | 0 | 0 | 109.8 | L264 V265 T267 | L264-L280 CarbonylContact C-O 3.59Å; L264-L280 VanDerWaalsContact CA-O 3.24Å; L264-L280 WeakPolarHBondContact CA-O 3.15Å; V265-L280 HydrophobicContact CG1-CB 4.12Å; V265-L280 PolarHBondContact N-O 3.37Å; V265-L280 PolarHBondContact O-N 2.99Å; T267-L280 HydrophobicContact CG2-CD1 3.73Å; T267-L280 HydrophobicContact CG2-CG 3.98Å |
| 281 | E | 92.5 | Very high | 85.5 | Confident | 121 Ų | 121 | 70.3 Ų | 70.3 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.2 | 175.7 | -172.4 | 166.1 | -143.9 | 0 | 0 | 111.1 | L264 | L264-E281 HydrophobicContact CD2-CB 3.83Å; L264-E281 HydrophobicContact CD2-CG 4.08Å |
| 282 | V | 91.3 | Very high | 86 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131 | -177.8 | -174 | 0 | 0 | 0 | 0 | 109.7 | W255 L263 V265 S284 C322 | W255-V282 HydrophobicContact CH2-CB 4.34Å; W255-V282 HydrophobicContact CH2-CG1 3.84Å; W255-V282 HydrophobicContact CH2-CG2 4.2Å; W255-V282 HydrophobicContact CZ3-CB 4.22Å; W255-V282 HydrophobicContact CZ3-CG1 4.07Å; W255-V282 HydrophobicContact CZ3-CG2 4.3Å; L263-V282 HydrophobicContact CB-CB 4.39Å; L263-V282 PolarHBondContact O-N 3.49Å; V265-V282 HydrophobicContact CB-CG2 4.28Å; V265-V282 HydrophobicContact CG1-CG2 3.8Å; V282-S284 PolarHBondContact O-N 2.85Å; V282-C322 HydrophobicContact CG2-CB 4.39Å |
| 283 | E | 88.2 | Confident | 86.6 | Confident | 149 Ų | 149 | 64.5 Ų | 64.5 | 70% | 0.696 | 33% | 0.333 | S | S | * | . | trans | -51.8 | 134 | 176.6 | -60.3 | -176.6 | 129.1 | 0 | 0 | 111.9 | W326 | E283-W326 PolarHBondContact O-NE1 2.81Š| ||
| 284 | S | 85.9 | Confident | 87.1 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | trans | -66.2 | 159.5 | 177.3 | 58.5 | 0 | 0 | 0 | 0 | 113 | V282 S286 | V282-S284 PolarHBondContact O-N 2.85Å; S284-S286 VanDerWaalsContact C-N 3.31Å; S284-S286 WeakPolarHBondContact CB-O 3.38Å; S284-S286 PolarHBondContact O-N 3.06Å; S284-S286 PolarHBondContact OG-O 3.09Å | ||
| 285 | P | 85.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -66.7 | -30.8 | 175.7 | -17.6 | 29.8 | 0 | 0 | 0 | 113.7 | V303 T305 W311 W326 | P285-V303 HydrophobicContact CG-CB 4.47Å; P285-V303 HydrophobicContact CG-CG1 3.98Å; P285-T305 HydrophobicContact CB-CG2 4.42Å; P285-T305 HydrophobicContact CG-CG2 4.26Å; P285-W311 HydrophobicContact CB-CB 4.07Å; P285-W311 HydrophobicContact CB-CD2 3.48Å; P285-W311 VanDerWaalsContact CB-CD2 3.48Å; P285-W311 HydrophobicContact CB-CE3 3.86Å; P285-W311 HydrophobicContact CB-CG 3.56Å; P285-W311 HydrophobicContact CB-CZ2 4.47Å; P285-W311 HydrophobicContact CB-CZ3 4.48Å; P285-W311 HydrophobicContact CG-CB 4.12Å; P285-W311 HydrophobicContact CG-CD2 4.42Å; P285-W311 HydrophobicContact CG-CG 3.99Å; P285-W326 HydrophobicContact CB-CB 4.36Å; P285-W326 HydrophobicContact CB-CD2 4.12Å; P285-W326 HydrophobicContact CB-CG 4Å; P285-W326 HydrophobicContact CG-CD2 3.83Å; P285-W326 HydrophobicContact CG-CE3 4.13Å; P285-W326 HydrophobicContact CG-CG 4.23Å; P285-W326 HydrophobicContact CG-CH2 4.46Å; P285-W326 HydrophobicContact CG-CZ2 4.17Å; P285-W326 HydrophobicContact CG-CZ3 4.42Å |
| 286 | S | 80.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 59.8 Ų | 59.8 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | trans | -134.5 | 151.2 | 175 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | S284 E288 V289 | S284-S286 VanDerWaalsContact C-N 3.31Å; S284-S286 WeakPolarHBondContact CB-O 3.38Å; S284-S286 PolarHBondContact O-N 3.06Å; S284-S286 PolarHBondContact OG-O 3.09Å; S286-E288 PolarHBondContact OG-N 3.13Å; S286-E288 VanDerWaalsContact OG-N 3.15Å; S286-V289 PolarHBondContact OG-N 3Å | ||
| 287 | K | 77.3 | Confident | 88 | Confident | 201 Ų | 201 | 59.4 Ų | 59.4 | 87% | 0.874 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -91.7 | -8.4 | 172.2 | -63.2 | -169.3 | 177.8 | -171.1 | 0 | 113.4 | ||
| 288 | E | 79.3 | Confident | 87.9 | Confident | 187 Ų | 187 | 55.8 Ų | 55.8 | 87% | 0.874 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -107.9 | -17.5 | -178.4 | -63.7 | 176.6 | -175.9 | 0 | 0 | 112.4 | S286 | S286-E288 PolarHBondContact OG-N 3.13Å; S286-E288 VanDerWaalsContact OG-N 3.15Å |
| 289 | V | 81.4 | Confident | 87.5 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -132.5 | 119.9 | -178.1 | -169.3 | 0 | 0 | 0 | 0 | 110 | S286 K306 D307 | S286-V289 PolarHBondContact OG-N 3Å; V289-K306 HydrophobicContact CG1-CB 4.11Å; V289-D307 HydrophobicContact CG1-CB 4.08Å |
| 290 | E | 86.4 | Confident | 87.2 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | trans | -66.2 | 153.7 | 176.7 | -69.2 | 167.6 | -158.9 | 0 | 0 | 112.2 | D260 T305 K306 | D260-E290 WeakPolarHBondContact O-CG 3.16Å; E290-T305 WeakPolarHBondContact O-CA 3.48Å; E290-K306 HydrophobicContact CB-CD 3.97Å; E290-K306 HydrophobicContact CB-CG 4.39Å; E290-K306 PolarHBondContact O-N 3.28Å; E290-K306 WeakPolarHBondContact OE2-CE 3.43Å; E290-K306 IonicContact OE2-NZ 3.26Å; E290-K306 PolarHBondContact OE2-NZ 2.71Å | ||
| 291 | A | 87.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 149.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L257 G261 L263 V303 | L257-A291 HydrophobicContact CD1-CB 3.59Å; G261-A291 WeakPolarHBondContact O-CB 3.26Å; G261-A291 PolarHBondContact O-N 2.76Å; L263-A291 HydrophobicContact CD2-CB 4.39Å; A291-V303 HydrophobicContact CB-CG1 3.82Å |
| 292 | L | 87 | Confident | 87.3 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -36 | -179.1 | 178.1 | 62.6 | 0 | 0 | 0 | 112.1 | L257 V304 K306 F308 | L257-L292 VanDerWaalsContact CD2-C 3.43Å; L257-L292 VanDerWaalsContact CD2-O 3.31Å; L257-L292 WeakPolarHBondContact CD2-O 3.44Å; L292-V304 HydrophobicContact CB-CG1 4.46Å; L292-V304 HydrophobicContact CD2-CG1 4.22Å; L292-V304 PolarHBondContact N-O 3.42Å; L292-K306 HydrophobicContact CB-CG 4.05Å; L292-K306 HydrophobicContact CD1-CG 4.39Å; L292-F308 HydrophobicContact CD2-CD1 4.27Å; L292-F308 HydrophobicContact CD2-CE1 4.18Å |
| 293 | H | 90.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 148.5 | -177.3 | -175.8 | 74.7 | 0 | 0 | 0 | 111.2 | Q245 V303 V304 V336 W527 | Q245-H293 PolarHBondContact NE2-CE1 3.38Å; Q245-H293 VanDerWaalsContact NE2-CE1 3.26Å; Q245-H293 PolarHBondContact OE1-ND1 3.49Å; Q245-H293 VanDerWaalsContact OE1-ND1 3.13Å; H293-V303 WeakPolarHBondContact O-CA 3.25Å; H293-V304 HydrophobicContact CB-CB 4.32Å; H293-V304 PolarHBondContact N-O 2.75Å; H293-V304 PolarHBondContact O-N 2.81Å; H293-V336 PolarHBondContact CD2-O 2.97Å; H293-V336 PolarHBondContact NE2-O 2.85Å; H293-W527 AromaticContact CE1-CH2 2.8Å; H293-W527 WeakPolarHBondContact CE1-CH2 3.33Å; H293-W527 AromaticContact CE1-CZ2 3.33Å; H293-W527 WeakPolarHBondContact CE1-CZ2 3.47Å; H293-W527 AromaticContact CE1-CZ3 3.68Å |
| 294 | V | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.6 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | Q245 S247 W255 L257 L263 V301 W302 V303 | Q245-V294 PolarHBondContact NE2-O 3.22Å; S247-V294 WeakPolarHBondContact CB-O 3.43Å; W255-V294 HydrophobicContact CB-CG2 4.02Å; W255-V294 HydrophobicContact CE3-CG2 4.24Å; L257-V294 HydrophobicContact CB-CG1 4.09Å; L263-V294 HydrophobicContact CD2-CB 4.29Å; V294-V301 HydrophobicContact CG2-CG1 3.87Å; V294-W302 CarbonylContact C-O 3.56Å; V294-W302 WeakPolarHBondContact CA-O 3.3Å; V294-V303 HydrophobicContact CB-CG2 4.06Å; V294-V303 HydrophobicContact CG2-CG2 3.83Å |
| 295 | A | 93.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S247 V301 W302 V336 V338 | S247-A295 WeakPolarHBondContact OG-CA 3.34Å; A295-V301 WeakPolarHBondContact O-CA 3.29Å; A295-W302 PolarHBondContact N-O 3.43Å; A295-W302 PolarHBondContact O-N 2.77Å; A295-V336 HydrophobicContact CB-CG2 3.93Å; A295-V336 WeakPolarHBondContact CB-O 3.18Å; A295-V338 HydrophobicContact CB-CG2 3.95Å |
| 296 | V | 92.5 | Very high | 87.8 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.4 | -170.4 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | S247 G249 L253 W255 V301 | S247-V296 WeakPolarHBondContact O-CG2 3.5Å; S247-V296 PolarHBondContact OG-N 2.85Å; G249-V296 WeakPolarHBondContact CA-O 3.26Å; L253-V296 HydrophobicContact CB-CG1 3.41Å; L253-V296 VanDerWaalsContact CB-CG1 3.41Å; L253-V296 HydrophobicContact CD1-CG1 4.22Å; L253-V296 HydrophobicContact CG-CG1 4.48Å; W255-V296 HydrophobicContact CB-CG2 3.69Å; W255-V296 HydrophobicContact CG-CG2 3.77Å; V296-V301 HydrophobicContact CG1-CG2 4.3Å; V296-V301 HydrophobicContact CG2-CG1 4.27Å; V296-V301 HydrophobicContact CG2-CG2 4.15Å |
| 297 | G | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -99 | -155 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P250 V300 D342 | P250-G297 VanDerWaalsContact CD-C 3.42Å; P250-G297 WeakPolarHBondContact CD-O 2.87Å; G297-V300 PolarHBondContact N-O 2.78Å; G297-D342 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 298 | V | 85.4 | Confident | 88.3 | Confident | 50 Ų | 50 | 33.2 Ų | 33.2 | 30% | 0.303 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -72.8 | -44.9 | 171.1 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | P250 L253 D342 | P250-V298 HydrophobicContact CB-CG2 4.03Å; P250-V298 HydrophobicContact CG-CG2 3.79Å; L253-V298 WeakPolarHBondContact CD1-O 3.42Å; V298-D342 PolarHBondContact N-OD1 2.9Å |
| 299 | S | 83.6 | Confident | 88.8 | Confident | 48 Ų | 48 | 28.2 Ų | 28.2 | 34% | 0.336 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -131.7 | -1.9 | -175.4 | 74.8 | 0 | 0 | 0 | 0 | 114.9 | D342 | S299-D342 PolarHBondContact N-OD1 2.89Å; S299-D342 PolarHBondContact N-OD2 3.18Å; S299-D342 PolarHBondContact OG-OD2 3.06Å |
| 300 | V | 88.3 | Confident | 89.4 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | trans | -122.7 | 152.9 | -173.3 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | G297 F312 V338 D342 P364 | G297-V300 PolarHBondContact N-O 2.78Å; V300-F312 HydrophobicContact CB-CE2 3.9Å; V300-F312 HydrophobicContact CG1-CE2 3.77Å; V300-F312 HydrophobicContact CG1-CZ 4.34Å; V300-V338 HydrophobicContact CG2-CG1 3.89Å; V300-V338 HydrophobicContact CG2-CG2 4.48Å; V300-D342 HydrophobicContact CG1-CB 4.33Å; V300-D342 HydrophobicContact CG2-CB 3.97Å; V300-P364 HydrophobicContact CG1-CB 3.8Å | ||
| 301 | V | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 134.5 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | W255 V294 A295 V296 R313 V316 | W255-V301 HydrophobicContact CD2-CG1 3.88Å; W255-V301 HydrophobicContact CD2-CG2 4.35Å; W255-V301 HydrophobicContact CE3-CG1 3.97Å; W255-V301 HydrophobicContact CG-CG1 4.4Å; W255-V301 HydrophobicContact CH2-CG1 4.21Å; W255-V301 HydrophobicContact CZ2-CB 4.26Å; W255-V301 HydrophobicContact CZ2-CG1 4.15Å; W255-V301 HydrophobicContact CZ2-CG2 3.95Å; W255-V301 HydrophobicContact CZ3-CG1 4.14Å; V294-V301 HydrophobicContact CG2-CG1 3.87Å; A295-V301 WeakPolarHBondContact O-CA 3.29Å; V296-V301 HydrophobicContact CG1-CG2 4.3Å; V296-V301 HydrophobicContact CG2-CG1 4.27Å; V296-V301 HydrophobicContact CG2-CG2 4.15Å; V301-R313 HydrophobicContact CB-CB 4.02Å; V301-R313 PolarHBondContact O-N 2.7Å; V301-V316 HydrophobicContact CB-CG2 4.4Å; V301-V316 HydrophobicContact CG2-CB 4.36Å; V301-V316 HydrophobicContact CG2-CG1 3.99Å; V301-V316 HydrophobicContact CG2-CG2 4.02Å |
| 302 | W | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.1 | -178.5 | -67.8 | 77.3 | 0 | 0 | 0 | 109.7 | V294 A295 V310 W311 F312 I329 V336 V338 V344 R356 S365 W369 | V294-W302 CarbonylContact C-O 3.56Å; V294-W302 WeakPolarHBondContact CA-O 3.3Å; A295-W302 PolarHBondContact N-O 3.43Å; A295-W302 PolarHBondContact O-N 2.77Å; W302-V310 HydrophobicContact CE3-CG1 3.55Å; W302-V310 HydrophobicContact CZ3-CG1 3.79Å; W302-W311 CarbonylContact C-O 3.57Å; W302-W311 WeakPolarHBondContact CA-O 3.42Å; W302-F312 HydrophobicContact CD2-CD2 4.21Å; W302-F312 AromaticContact CE2-CD2 3.6Å; W302-F312 HydrophobicContact CE3-CB 4.43Å; W302-F312 HydrophobicContact CH2-CB 4.5Å; W302-F312 HydrophobicContact CH2-CD2 4.41Å; W302-F312 AromaticContact CZ2-CD2 3.71Å; W302-F312 HydrophobicContact CZ2-CD2 3.71Å; W302-F312 HydrophobicContact CZ2-CE2 4.36Å; W302-F312 HydrophobicContact CZ2-CG 4.49Å; W302-F312 HydrophobicContact CZ3-CB 4.44Å; W302-F312 AromaticContact NE1-CD2 3.75Å; W302-I329 HydrophobicContact CH2-CG1 4.16Å; W302-I329 HydrophobicContact CH2-CG2 4.47Å; W302-I329 HydrophobicContact CZ3-CB 4.18Å; W302-I329 HydrophobicContact CZ3-CG1 3.77Å; W302-I329 HydrophobicContact CZ3-CG2 4.08Å; W302-V336 HydrophobicContact CB-CG2 3.98Å; W302-V338 HydrophobicContact CG-CG2 4.37Å; W302-V344 HydrophobicContact CD2-CG1 4.27Å; W302-V344 HydrophobicContact CD2-CG2 4.29Å; W302-V344 HydrophobicContact CZ2-CG2 3.79Å; W302-R356 HydrophobicContact CH2-CG 4.46Å; W302-S365 WeakPolarHBondContact CH2-O 3.37Å; W302-W369 HydrophobicContact CZ3-CZ2 4.38Å |
| 303 | V | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.4 | 179.1 | 166.7 | 0 | 0 | 0 | 0 | 109.8 | L263 P285 A291 H293 V294 W311 W326 | L263-V303 HydrophobicContact CD1-CG2 4.02Å; L263-V303 HydrophobicContact CD2-CG2 4.4Å; P285-V303 HydrophobicContact CG-CB 4.47Å; P285-V303 HydrophobicContact CG-CG1 3.98Å; A291-V303 HydrophobicContact CB-CG1 3.82Å; H293-V303 WeakPolarHBondContact O-CA 3.25Å; V294-V303 HydrophobicContact CB-CG2 4.06Å; V294-V303 HydrophobicContact CG2-CG2 3.83Å; V303-W311 PolarHBondContact N-O 3.24Å; V303-W311 PolarHBondContact O-N 3.05Å; V303-W326 HydrophobicContact CB-CH2 4.08Å; V303-W326 HydrophobicContact CB-CZ3 3.95Å; V303-W326 HydrophobicContact CG2-CH2 3.46Å; V303-W326 VanDerWaalsContact CG2-CH2 3.46Å; V303-W326 HydrophobicContact CG2-CZ2 4.46Å; V303-W326 HydrophobicContact CG2-CZ3 3.77Å |
| 304 | V | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.9 | 166.9 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | L292 H293 K309 M333 V336 | L292-V304 HydrophobicContact CB-CG1 4.46Å; L292-V304 HydrophobicContact CD2-CG1 4.22Å; L292-V304 PolarHBondContact N-O 3.42Å; H293-V304 HydrophobicContact CB-CB 4.32Å; H293-V304 PolarHBondContact N-O 2.75Å; H293-V304 PolarHBondContact O-N 2.81Å; V304-K309 WeakPolarHBondContact CA-O 3.45Å; V304-M333 WeakPolarHBondContact CG1-O 3.33Å; V304-V336 HydrophobicContact CG2-CG1 3.97Å; V304-V336 HydrophobicContact CG2-CG2 4.08Å |
| 305 | T | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 162.7 | 173.1 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | P285 E290 D307 F308 K309 W311 | P285-T305 HydrophobicContact CB-CG2 4.42Å; P285-T305 HydrophobicContact CG-CG2 4.26Å; E290-T305 WeakPolarHBondContact O-CA 3.48Å; T305-D307 VanDerWaalsContact CB-OD1 3.23Å; T305-D307 WeakPolarHBondContact CB-OD1 3.47Å; T305-D307 PolarHBondContact O-N 2.82Å; T305-D307 PolarHBondContact OG1-OD1 2.88Å; T305-F308 WeakPolarHBondContact O-CA 3.5Å; T305-F308 PolarHBondContact O-N 3.32Å; T305-K309 PolarHBondContact N-O 3.26Å; T305-K309 PolarHBondContact OG1-O 3.44Å; T305-W311 PolarHBondContact OG1-NE1 2.96Å |
| 306 | K | 83.6 | Confident | 89.3 | Confident | 89 Ų | 89 | 30.2 Ų | 30.2 | 39% | 0.387 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -5.5 | -177.1 | -70.4 | -172.9 | -174.7 | 176.3 | 0 | 115.1 | V289 E290 L292 | V289-K306 HydrophobicContact CG1-CB 4.11Å; E290-K306 HydrophobicContact CB-CD 3.97Å; E290-K306 HydrophobicContact CB-CG 4.39Å; E290-K306 PolarHBondContact O-N 3.28Å; E290-K306 WeakPolarHBondContact OE2-CE 3.43Å; E290-K306 IonicContact OE2-NZ 3.26Å; E290-K306 PolarHBondContact OE2-NZ 2.71Å; L292-K306 HydrophobicContact CB-CG 4.05Å; L292-K306 HydrophobicContact CD1-CG 4.39Å |
| 307 | D | 83.6 | Confident | 88.9 | Confident | 50 Ų | 50 | 33.1 Ų | 33.1 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 24.2 | 170.8 | 70.7 | -25.6 | 0 | 0 | 0 | 112.9 | V289 T305 K309 | V289-D307 HydrophobicContact CG1-CB 4.08Å; T305-D307 VanDerWaalsContact CB-OD1 3.23Å; T305-D307 WeakPolarHBondContact CB-OD1 3.47Å; T305-D307 PolarHBondContact O-N 2.82Å; T305-D307 PolarHBondContact OG1-OD1 2.88Å; D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 WeakPolarHBondContact OD2-CD 3.45Å; D307-K309 WeakPolarHBondContact OD2-CE 3.49Å; D307-K309 IonicContact OD2-NZ 3.76Å; D307-K309 PolarHBondContact OD2-NZ 3.15Å |
| 308 | F | 86.5 | Confident | 88.5 | Confident | 62 Ų | 62 | 36.1 Ų | 36.1 | 27% | 0.272 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 57.9 | 6.3 | 180 | -54.6 | -53.5 | 0 | 0 | 0 | 116.8 | L292 T305 E332 M333 M334 E349 | L292-F308 HydrophobicContact CD2-CD1 4.27Å; L292-F308 HydrophobicContact CD2-CE1 4.18Å; T305-F308 WeakPolarHBondContact O-CA 3.5Å; T305-F308 PolarHBondContact O-N 3.32Å; F308-E332 HydrophobicContact CB-CB 4.32Å; F308-E332 WeakPolarHBondContact O-CA 3.45Å; F308-M333 WeakPolarHBondContact CA-O 3.32Å; F308-M333 WeakPolarHBondContact CB-O 3.35Å; F308-M333 PolarHBondContact O-N 2.82Å; F308-M334 HydrophobicContact CD1-CG 4.42Å; F308-M334 HydrophobicContact CE1-CG 4.21Å; F308-E349 HydrophobicContact CD2-CG 4.18Å; F308-E349 WeakPolarHBondContact CD2-OE2 3.4Å; F308-E349 HydrophobicContact CE2-CG 4.14Å |
| 309 | K | 89.8 | Confident | 88.4 | Confident | 82 Ų | 82 | 42.5 Ų | 42.5 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 141.1 | 177.8 | -66.9 | -175.9 | -172.5 | 61.9 | 0 | 111.9 | V304 T305 D307 | V304-K309 WeakPolarHBondContact CA-O 3.45Å; T305-K309 PolarHBondContact N-O 3.26Å; T305-K309 PolarHBondContact OG1-O 3.44Å; D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 WeakPolarHBondContact OD2-CD 3.45Å; D307-K309 WeakPolarHBondContact OD2-CE 3.49Å; D307-K309 IonicContact OD2-NZ 3.76Å; D307-K309 PolarHBondContact OD2-NZ 3.15Å |
| 310 | V | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.2 | 178 | -173.8 | 0 | 0 | 0 | 0 | 111 | W302 I329 M333 W369 | W302-V310 HydrophobicContact CE3-CG1 3.55Å; W302-V310 HydrophobicContact CZ3-CG1 3.79Å; V310-I329 HydrophobicContact CB-CB 4.27Å; V310-I329 HydrophobicContact CG1-CB 4.24Å; V310-I329 PolarHBondContact O-N 3.2Å; V310-M333 HydrophobicContact CG2-CB 3.75Å; V310-M333 HydrophobicContact CG2-CG 3.51Å; V310-W369 HydrophobicContact CG1-CZ2 4.34Å; V310-W369 HydrophobicContact CG2-CZ2 4.46Å |
| 311 | W | 93.3 | Very high | 88.5 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.6 | -179.7 | -60.2 | 88.4 | 0 | 0 | 0 | 111.2 | P285 W302 V303 T305 W326 I327 | P285-W311 HydrophobicContact CB-CB 4.07Å; P285-W311 HydrophobicContact CB-CD2 3.48Å; P285-W311 VanDerWaalsContact CB-CD2 3.48Å; P285-W311 HydrophobicContact CB-CE3 3.86Å; P285-W311 HydrophobicContact CB-CG 3.56Å; P285-W311 HydrophobicContact CB-CZ2 4.47Å; P285-W311 HydrophobicContact CB-CZ3 4.48Å; P285-W311 HydrophobicContact CG-CB 4.12Å; P285-W311 HydrophobicContact CG-CD2 4.42Å; P285-W311 HydrophobicContact CG-CG 3.99Å; W302-W311 CarbonylContact C-O 3.57Å; W302-W311 WeakPolarHBondContact CA-O 3.42Å; V303-W311 PolarHBondContact N-O 3.24Å; V303-W311 PolarHBondContact O-N 3.05Å; T305-W311 PolarHBondContact OG1-NE1 2.96Å; W311-W326 HydrophobicContact CB-CE3 3.99Å; W311-W326 HydrophobicContact CB-CZ3 4.45Å; W311-W326 HydrophobicContact CE3-CB 4.2Å; W311-I327 CarbonylContact C-O 3.52Å; W311-I327 WeakPolarHBondContact CA-O 3.34Å |
| 312 | F | 93.3 | Very high | 88.2 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.4 | 176.9 | 168.3 | -97.1 | 0 | 0 | 0 | 110.4 | V300 W302 R314 W326 I327 I329 P364 | V300-F312 HydrophobicContact CB-CE2 3.9Å; V300-F312 HydrophobicContact CG1-CE2 3.77Å; V300-F312 HydrophobicContact CG1-CZ 4.34Å; W302-F312 HydrophobicContact CD2-CD2 4.21Å; W302-F312 AromaticContact CE2-CD2 3.6Å; W302-F312 HydrophobicContact CE3-CB 4.43Å; W302-F312 HydrophobicContact CH2-CB 4.5Å; W302-F312 HydrophobicContact CH2-CD2 4.41Å; W302-F312 AromaticContact CZ2-CD2 3.71Å; W302-F312 HydrophobicContact CZ2-CD2 3.71Å; W302-F312 HydrophobicContact CZ2-CE2 4.36Å; W302-F312 HydrophobicContact CZ2-CG 4.49Å; W302-F312 HydrophobicContact CZ3-CB 4.44Å; W302-F312 AromaticContact NE1-CD2 3.75Å; F312-R314 HydrophobicContact CE1-CB 4.03Å; F312-W326 CarbonylContact O-C 3.6Å; F312-W326 WeakPolarHBondContact O-CA 3.25Å; F312-I327 HydrophobicContact CD1-CB 4.37Å; F312-I327 HydrophobicContact CD1-CD1 4.15Å; F312-I327 HydrophobicContact CD1-CG1 4.48Å; F312-I327 HydrophobicContact CE1-CD1 4.49Å; F312-I327 PolarHBondContact N-O 2.78Å; F312-I327 PolarHBondContact O-N 3.22Å; F312-I329 HydrophobicContact CB-CD1 4.15Å; F312-I329 HydrophobicContact CB-CG1 3.89Å; F312-P364 HydrophobicContact CE2-CB 4.22Å; F312-P364 HydrophobicContact CZ-CB 3.94Å; F312-P364 HydrophobicContact CZ-CG 3.93Å |
| 313 | R | 91.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 46 Ų | 46 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.2 | 174.1 | -166.5 | 76.8 | -179.5 | 163.9 | -0.2 | 109.9 | W255 V301 V316 C322 G325 W326 | W255-R313 HydrophobicContact CH2-CG 4.1Å; W255-R313 HydrophobicContact CZ2-CG 4.49Å; V301-R313 HydrophobicContact CB-CB 4.02Å; V301-R313 PolarHBondContact O-N 2.7Å; R313-V316 HydrophobicContact CB-CG2 3.95Å; R313-V316 HydrophobicContact CG-CG2 3.52Å; R313-C322 VanDerWaalsContact CZ-O 3.27Å; R313-C322 PolarHBondContact NE-O 2.85Å; R313-C322 PolarHBondContact NH2-O 2.81Å; R313-G325 WeakPolarHBondContact CA-O 3.3Å; R313-G325 WeakPolarHBondContact CD-O 3.43Å; R313-W326 HydrophobicContact CB-CE3 3.88Å; R313-W326 HydrophobicContact CB-CH2 4Å; R313-W326 HydrophobicContact CB-CZ3 3.6Å; R313-W326 HydrophobicContact CG-CE3 4.49Å; R313-W326 HydrophobicContact CG-CH2 4.37Å; R313-W326 HydrophobicContact CG-CZ3 4.34Å |
| 314 | R | 86.8 | Confident | 87.5 | Confident | 129 Ų | 129 | 49.1 Ų | 49.1 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 151.3 | 173.8 | 59.6 | 161.9 | -166.7 | -143.6 | -4 | 111.9 | F312 V316 G323 S324 G325 I327 | F312-R314 HydrophobicContact CE1-CB 4.03Å; R314-V316 PolarHBondContact O-N 2.83Å; R314-G323 CarbonylContact O-C 3.53Å; R314-G323 WeakPolarHBondContact O-CA 3.22Å; R314-S324 PolarHBondContact NE-O 2.89Å; R314-S324 PolarHBondContact NE-OG 2.99Å; R314-S324 PolarHBondContact NH2-O 3.14Å; R314-S324 PolarHBondContact O-N 2.87Å; R314-S324 PolarHBondContact O-OG 2.98Å; R314-G325 WeakPolarHBondContact CG-O 3.37Å; R314-G325 PolarHBondContact N-O 2.93Å; R314-I327 HydrophobicContact CB-CD1 4.36Å |
| 315 | G | 83.9 | Confident | 87.3 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 21.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N320 | G315-N320 PolarHBondContact O-ND2 2.84Š|
| 316 | V | 88.5 | Confident | 87.4 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | trans | -76.4 | 145.2 | 171.7 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | L253 W255 V301 R313 R314 N320 | L253-V316 HydrophobicContact CD1-CG1 3.71Å; L253-V316 HydrophobicContact CD2-CG1 3.93Å; L253-V316 HydrophobicContact CG-CG1 4.48Å; W255-V316 HydrophobicContact CZ2-CG2 4.33Å; V301-V316 HydrophobicContact CB-CG2 4.4Å; V301-V316 HydrophobicContact CG2-CB 4.36Å; V301-V316 HydrophobicContact CG2-CG1 3.99Å; V301-V316 HydrophobicContact CG2-CG2 4.02Å; R313-V316 HydrophobicContact CB-CG2 3.95Å; R313-V316 HydrophobicContact CG-CG2 3.52Å; R314-V316 PolarHBondContact O-N 2.83Å; V316-N320 WeakPolarHBondContact CA-O 3.48Å | ||
| 317 | N | 85 | Confident | 87.7 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -175.5 | 174.2 | 169.1 | 52.8 | 81.2 | 0 | 0 | 0 | 109.2 | H319 N320 P321 | N317-H319 PolarHBondContact O-N 3.31Å; N317-H319 WeakPolarHBondContact OD1-CA 3.5Å; N317-H319 WeakPolarHBondContact OD1-CB 3.3Å; N317-H319 PolarHBondContact OD1-N 3.01Å; N317-N320 PolarHBondContact N-O 2.96Å; N317-N320 CarbonylContact O-C 3.46Å; N317-N320 PolarHBondContact O-N 2.98Å; N317-N320 PolarHBondContact OD1-N 2.75Å; N317-P321 WeakPolarHBondContact O-CA 3.37Å; N317-P321 VanDerWaalsContact O-N 3.07Å |
| 318 | S | 79.9 | Confident | 88 | Confident | 63 Ų | 63 | 51.7 Ų | 51.7 | 44% | 0.441 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | -29.6 | 178.1 | -44.5 | 0 | 0 | 0 | 0 | 115.5 | D252 | D252-S318 VanDerWaalsContact CG-OG 3.29Å; D252-S318 WeakPolarHBondContact OD1-CB 3.28Å; D252-S318 PolarHBondContact OD1-OG 2.88Å; D252-S318 WeakPolarHBondContact OD2-CA 3.22Å; D252-S318 WeakPolarHBondContact OD2-CB 3.32Å; D252-S318 PolarHBondContact OD2-OG 3.23Å |
| 319 | H | 83.5 | Confident | 88.2 | Confident | 185 Ų | 185 | 49.4 Ų | 49.4 | 86% | 0.856 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -20.1 | 177.8 | -59.2 | -37.2 | 0 | 0 | 0 | 113.6 | N317 | N317-H319 PolarHBondContact O-N 3.31Å; N317-H319 WeakPolarHBondContact OD1-CA 3.5Å; N317-H319 WeakPolarHBondContact OD1-CB 3.3Å; N317-H319 PolarHBondContact OD1-N 3.01Å |
| 320 | N | 86.9 | Confident | 88 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -134 | 71.2 | 175 | -177 | 45.9 | 0 | 0 | 0 | 110.9 | G315 V316 N317 C322 G323 | G315-N320 PolarHBondContact O-ND2 2.84Å; V316-N320 WeakPolarHBondContact CA-O 3.48Å; N317-N320 PolarHBondContact N-O 2.96Å; N317-N320 CarbonylContact O-C 3.46Å; N317-N320 PolarHBondContact O-N 2.98Å; N317-N320 PolarHBondContact OD1-N 2.75Å; N320-C322 PolarHBondContact O-N 3.06Å; N320-C322 VanDerWaalsContact O-N 3.13Å; N320-G323 VanDerWaalsContact ND2-C 3.28Å; N320-G323 WeakPolarHBondContact ND2-CA 3.41Å; N320-G323 PolarHBondContact ND2-N 3.22Å; N320-G323 PolarHBondContact ND2-O 2.89Å; N320-G323 PolarHBondContact O-N 3.04Å |
| 321 | P | 86 | Confident | 87.5 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.1 | -174.6 | 26 | -34.9 | 0 | 0 | 0 | 113.3 | L253 W255 V265 T267 N317 | L253-P321 HydrophobicContact CD2-CB 4.02Å; W255-P321 VanDerWaalsContact CZ2-O 3.27Å; W255-P321 WeakPolarHBondContact CZ2-O 3.33Å; W255-P321 PolarHBondContact NE1-O 3.36Å; V265-P321 HydrophobicContact CG2-CB 3.81Å; T267-P321 HydrophobicContact CG2-CG 3.89Å; N317-P321 WeakPolarHBondContact O-CA 3.37Å; N317-P321 VanDerWaalsContact O-N 3.07Å |
| 322 | C | 87 | Confident | 87.3 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11 | 177.4 | -61.5 | 0 | 0 | 0 | 0 | 114.4 | V282 R313 N320 | V282-C322 HydrophobicContact CG2-CB 4.39Å; R313-C322 VanDerWaalsContact CZ-O 3.27Å; R313-C322 PolarHBondContact NE-O 2.85Å; R313-C322 PolarHBondContact NH2-O 2.81Å; N320-C322 PolarHBondContact O-N 3.06Å; N320-C322 VanDerWaalsContact O-N 3.13Å |
| 323 | G | 88.2 | Confident | 87 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | trans | 67.2 | -164.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | R314 N320 | R314-G323 CarbonylContact O-C 3.53Å; R314-G323 WeakPolarHBondContact O-CA 3.22Å; N320-G323 VanDerWaalsContact ND2-C 3.28Å; N320-G323 WeakPolarHBondContact ND2-CA 3.41Å; N320-G323 PolarHBondContact ND2-N 3.22Å; N320-G323 PolarHBondContact ND2-O 2.89Å; N320-G323 PolarHBondContact O-N 3.04Å | ||
| 324 | S | 85.7 | Confident | 86.8 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -141.5 | 11 | -175.1 | 71 | 0 | 0 | 0 | 0 | 115.3 | R314 | R314-S324 PolarHBondContact NE-O 2.89Å; R314-S324 PolarHBondContact NE-OG 2.99Å; R314-S324 PolarHBondContact NH2-O 3.14Å; R314-S324 PolarHBondContact O-N 2.87Å; R314-S324 PolarHBondContact O-OG 2.98Å |
| 325 | G | 86.8 | Confident | 86.9 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | 160.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R313 R314 | R313-G325 WeakPolarHBondContact CA-O 3.3Å; R313-G325 WeakPolarHBondContact CD-O 3.43Å; R314-G325 WeakPolarHBondContact CG-O 3.37Å; R314-G325 PolarHBondContact N-O 2.93Å |
| 326 | W | 91.8 | Very high | 87.4 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 16% | 0.159 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 148.6 | 173.2 | -65 | 109.9 | 0 | 0 | 0 | 111.1 | W255 L263 E283 P285 V303 W311 F312 R313 | W255-W326 HydrophobicContact CH2-CH2 4.23Å; W255-W326 HydrophobicContact CH2-CZ2 4.32Å; W255-W326 AromaticContact CZ3-CH2 3.94Å; W255-W326 HydrophobicContact CZ3-CH2 3.94Å; W255-W326 HydrophobicContact CZ3-CZ2 4.06Å; L263-W326 HydrophobicContact CD1-CH2 3.98Å; L263-W326 HydrophobicContact CD1-CZ2 3.64Å; E283-W326 PolarHBondContact O-NE1 2.81Å; P285-W326 HydrophobicContact CB-CB 4.36Å; P285-W326 HydrophobicContact CB-CD2 4.12Å; P285-W326 HydrophobicContact CB-CG 4Å; P285-W326 HydrophobicContact CG-CD2 3.83Å; P285-W326 HydrophobicContact CG-CE3 4.13Å; P285-W326 HydrophobicContact CG-CG 4.23Å; P285-W326 HydrophobicContact CG-CH2 4.46Å; P285-W326 HydrophobicContact CG-CZ2 4.17Å; P285-W326 HydrophobicContact CG-CZ3 4.42Å; V303-W326 HydrophobicContact CB-CH2 4.08Å; V303-W326 HydrophobicContact CB-CZ3 3.95Å; V303-W326 HydrophobicContact CG2-CH2 3.46Å; V303-W326 VanDerWaalsContact CG2-CH2 3.46Å; V303-W326 HydrophobicContact CG2-CZ2 4.46Å; V303-W326 HydrophobicContact CG2-CZ3 3.77Å; W311-W326 HydrophobicContact CB-CE3 3.99Å; W311-W326 HydrophobicContact CB-CZ3 4.45Å; W311-W326 HydrophobicContact CE3-CB 4.2Å; F312-W326 CarbonylContact O-C 3.6Å; F312-W326 WeakPolarHBondContact O-CA 3.25Å; R313-W326 HydrophobicContact CB-CE3 3.88Å; R313-W326 HydrophobicContact CB-CH2 4Å; R313-W326 HydrophobicContact CB-CZ3 3.6Å; R313-W326 HydrophobicContact CG-CE3 4.49Å; R313-W326 HydrophobicContact CG-CH2 4.37Å; R313-W326 HydrophobicContact CG-CZ3 4.34Å |
| 327 | I | 90.1 | Very high | 87.6 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.1 | 175 | -57 | -178.1 | 0 | 0 | 0 | 107.1 | W311 F312 R314 I329 | W311-I327 CarbonylContact C-O 3.52Å; W311-I327 WeakPolarHBondContact CA-O 3.34Å; F312-I327 HydrophobicContact CD1-CB 4.37Å; F312-I327 HydrophobicContact CD1-CD1 4.15Å; F312-I327 HydrophobicContact CD1-CG1 4.48Å; F312-I327 HydrophobicContact CE1-CD1 4.49Å; F312-I327 PolarHBondContact N-O 2.78Å; F312-I327 PolarHBondContact O-N 3.22Å; R314-I327 HydrophobicContact CB-CD1 4.36Å; I327-I329 HydrophobicContact CG2-CD1 4.26Å |
| 328 | S | 90.1 | Very high | 87.9 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.6 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 329 | I | 92 | Very high | 88 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.6 | 179 | -55.8 | -62.4 | 0 | 0 | 0 | 108.2 | W302 V310 F312 I327 | W302-I329 HydrophobicContact CH2-CG1 4.16Å; W302-I329 HydrophobicContact CH2-CG2 4.47Å; W302-I329 HydrophobicContact CZ3-CB 4.18Å; W302-I329 HydrophobicContact CZ3-CG1 3.77Å; W302-I329 HydrophobicContact CZ3-CG2 4.08Å; V310-I329 HydrophobicContact CB-CB 4.27Å; V310-I329 HydrophobicContact CG1-CB 4.24Å; V310-I329 PolarHBondContact O-N 3.2Å; F312-I329 HydrophobicContact CB-CD1 4.15Å; F312-I329 HydrophobicContact CB-CG1 3.89Å; I327-I329 HydrophobicContact CG2-CD1 4.26Å |
| 330 | G | 83.9 | Confident | 87.8 | Confident | 60 Ų | 60 | 33.3 Ų | 33.3 | 62% | 0.619 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 139.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | W369 | G330-W369 VanDerWaalsContact O-CD1 3.24Å; G330-W369 PolarHBondContact O-NE1 2.95Å |
| 331 | G | 83.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.2 | 143.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 332 | E | 87.8 | Confident | 87.7 | Confident | 124 Ų | 124 | 33.7 Ų | 33.7 | 58% | 0.579 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 113.2 | -179.8 | -73.6 | 160.6 | 156.6 | 0 | 0 | 108.6 | F308 E349 | F308-E332 HydrophobicContact CB-CB 4.32Å; F308-E332 WeakPolarHBondContact O-CA 3.45Å; E332-E349 PolarHBondContact O-N 3.11Å |
| 333 | M | 88.9 | Confident | 87.7 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | -168.8 | -57.7 | -67.4 | 168.2 | 0 | 0 | 110.7 | V304 F308 V310 A346 V347 G348 Y354 W369 | V304-M333 WeakPolarHBondContact CG1-O 3.33Å; F308-M333 WeakPolarHBondContact CA-O 3.32Å; F308-M333 WeakPolarHBondContact CB-O 3.35Å; F308-M333 PolarHBondContact O-N 2.82Å; V310-M333 HydrophobicContact CG2-CB 3.75Å; V310-M333 HydrophobicContact CG2-CG 3.51Å; M333-A346 HydrophobicContact CE-CB 4.38Å; M333-A346 HydrophobicContact CG-CB 4.02Å; M333-A346 HydrophobicContact SD-CB 3.58Å; M333-A346 VanDerWaalsContact SD-CB 3.58Å; M333-V347 CarbonylContact C-O 3.59Å; M333-V347 WeakPolarHBondContact CA-O 3.05Å; M333-G348 VanDerWaalsContact SD-CA 3.59Å; M333-Y354 HydrophobicContact CE-CD2 4.12Å; M333-Y354 HydrophobicContact CE-CG 4.14Å; M333-Y354 HydrophobicContact SD-CD2 4.13Å; M333-W369 HydrophobicContact CE-CB 4.45Å; M333-W369 HydrophobicContact CE-CD2 3.72Å; M333-W369 HydrophobicContact CE-CE3 4.24Å; M333-W369 HydrophobicContact CE-CG 3.81Å; M333-W369 HydrophobicContact CE-CZ2 4.37Å |
| 334 | M | 85.4 | Confident | 87.8 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 16% | 0.158 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -39.3 | 172 | -65 | -169.1 | -65.8 | 0 | 0 | 112.3 | F308 V347 G348 R351 | F308-M334 HydrophobicContact CD1-CG 4.42Å; F308-M334 HydrophobicContact CE1-CG 4.21Å; M334-V347 HydrophobicContact CE-CG1 3.61Å; M334-V347 PolarHBondContact N-O 2.58Å; M334-G348 WeakPolarHBondContact CE-O 3.33Å; M334-R351 HydrophobicContact CE-CB 4.48Å; M334-R351 HydrophobicContact CE-CG 3.87Å |
| 335 | M | 90.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 162.2 | 178.3 | 68.6 | 77.5 | 60.6 | 0 | 0 | 111.8 | D337 A346 V347 W527 V528 | M335-D337 HydrophobicContact CE-CB 4.33Å; M335-A346 WeakPolarHBondContact O-CA 3.48Å; M335-V347 HydrophobicContact CG-CB 4.28Å; M335-V347 HydrophobicContact CG-CG2 4.33Å; M335-V347 PolarHBondContact O-N 2.89Å; M335-V347 HydrophobicContact SD-CB 4.35Å; M335-V347 HydrophobicContact SD-CG2 3.89Å; M335-W527 HydrophobicContact CE-CD2 3.77Å; M335-W527 HydrophobicContact CE-CE3 3.94Å; M335-W527 HydrophobicContact CE-CG 4.28Å; M335-W527 HydrophobicContact CE-CH2 4.23Å; M335-W527 HydrophobicContact CE-CZ2 4.05Å; M335-W527 HydrophobicContact CE-CZ3 4.16Å; M335-W527 HydrophobicContact CG-CE3 4.32Å; M335-V528 HydrophobicContact CE-CG1 4.48Å; M335-V528 HydrophobicContact SD-CG1 3.83Å |
| 336 | V | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 151.2 | -180 | -65.8 | 0 | 0 | 0 | 0 | 110 | H293 A295 W302 V304 W345 A346 W369 | H293-V336 PolarHBondContact CD2-O 2.97Å; H293-V336 PolarHBondContact NE2-O 2.85Å; A295-V336 HydrophobicContact CB-CG2 3.93Å; A295-V336 WeakPolarHBondContact CB-O 3.18Å; W302-V336 HydrophobicContact CB-CG2 3.98Å; V304-V336 HydrophobicContact CG2-CG1 3.97Å; V304-V336 HydrophobicContact CG2-CG2 4.08Å; V336-W345 CarbonylContact C-O 3.6Å; V336-W345 VanDerWaalsContact CA-O 3.27Å; V336-W345 WeakPolarHBondContact CA-O 3.4Å; V336-A346 HydrophobicContact CG1-CB 3.89Å; V336-W369 HydrophobicContact CG1-CH2 4.49Å |
| 337 | D | 93.1 | Very high | 88.4 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 139.5 | 173.7 | -177.6 | 94.9 | 0 | 0 | 0 | 109.2 | M335 W345 V528 S529 G530 | M335-D337 HydrophobicContact CE-CB 4.33Å; D337-W345 PolarHBondContact N-O 3.18Å; D337-W345 PolarHBondContact O-N 2.92Å; D337-V528 HydrophobicContact CB-CG1 4.33Å; D337-S529 PolarHBondContact OD1-OG 2.88Å; D337-S529 VanDerWaalsContact OD1-OG 3.08Å; D337-S529 WeakPolarHBondContact OD2-CA 3.47Å; D337-S529 PolarHBondContact OD2-OG 2.93Å; D337-G530 PolarHBondContact OD2-N 3.09Å |
| 338 | V | 90.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.055 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.1 | -178.7 | -172 | 0 | 0 | 0 | 0 | 108.8 | A295 V300 W302 V344 | A295-V338 HydrophobicContact CB-CG2 3.95Å; V300-V338 HydrophobicContact CG2-CG1 3.89Å; V300-V338 HydrophobicContact CG2-CG2 4.48Å; W302-V338 HydrophobicContact CG-CG2 4.37Å; V338-V344 HydrophobicContact CG2-CG2 4.44Å |
| 339 | G | 83.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -88.4 | -164.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q343 G530 | G339-Q343 PolarHBondContact N-O 3.42Å; G339-G530 VanDerWaalsContact CA-O 3.3Å; G339-G530 WeakPolarHBondContact CA-O 3.49Å | ||
| 340 | L | 79.5 | Confident | 87.1 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -59.6 | 154.7 | 169.6 | -61.4 | 174.7 | 0 | 0 | 0 | 110.7 | W197 D342 Q343 D534 | W197-L340 HydrophobicContact CZ2-CD2 4.02Å; W197-L340 VanDerWaalsContact NE1-CD2 3.3Å; L340-D342 PolarHBondContact O-N 2.61Å; L340-Q343 WeakPolarHBondContact O-CG 3.46Å; L340-Q343 PolarHBondContact O-N 2.73Å; L340-Q343 VanDerWaalsContact O-N 3.15Å; L340-D534 HydrophobicContact CD1-CB 3.86Å |
| 341 | N | 82.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 27.5 Ų | 27.5 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | 56.4 | 30.5 | -178.8 | -42.1 | -46.3 | 0 | 0 | 0 | 113.5 | Q343 D534 V535 | N341-Q343 HydrophobicContact CB-CG 4.22Å; N341-Q343 PolarHBondContact O-N 3.04Å; N341-Q343 VanDerWaalsContact O-N 3.09Å; N341-Q343 PolarHBondContact O-NE2 3.03Å; N341-D534 PolarHBondContact ND2-OD1 2.77Å; N341-V535 PolarHBondContact ND2-O 2.76Å |
| 342 | D | 87.1 | Confident | 87 | Confident | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | 55.2 | 16.9 | -174.2 | -75.9 | -29.7 | 0 | 0 | 0 | 114.9 | G297 V298 S299 V300 L340 V344 V359 | G297-D342 WeakPolarHBondContact CA-OD1 3.38Å; V298-D342 PolarHBondContact N-OD1 2.9Å; S299-D342 PolarHBondContact N-OD1 2.89Å; S299-D342 PolarHBondContact N-OD2 3.18Å; S299-D342 PolarHBondContact OG-OD2 3.06Å; V300-D342 HydrophobicContact CG1-CB 4.33Å; V300-D342 HydrophobicContact CG2-CB 3.97Å; L340-D342 PolarHBondContact O-N 2.61Å; D342-V344 WeakPolarHBondContact O-CG2 3.27Å; D342-V359 WeakPolarHBondContact O-CG1 3.42Å |
| 343 | Q | 87.6 | Confident | 87 | Confident | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.033 | 11% | 0.11 | C | C | . | . | trans | -70.2 | 134.5 | -176.4 | -60.9 | -55.4 | -73.1 | 0 | 0 | 112.4 | G339 L340 N341 F355 V359 V535 | G339-Q343 PolarHBondContact N-O 3.42Å; L340-Q343 WeakPolarHBondContact O-CG 3.46Å; L340-Q343 PolarHBondContact O-N 2.73Å; L340-Q343 VanDerWaalsContact O-N 3.15Å; N341-Q343 HydrophobicContact CB-CG 4.22Å; N341-Q343 PolarHBondContact O-N 3.04Å; N341-Q343 VanDerWaalsContact O-N 3.09Å; N341-Q343 PolarHBondContact O-NE2 3.03Å; Q343-F355 HydrophobicContact CB-CE2 4.09Å; Q343-V359 PolarHBondContact NE2-O 2.87Å; Q343-V535 WeakPolarHBondContact CG-O 3.42Å | ||
| 344 | V | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.6 | -169.7 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | W302 V338 D342 R356 V359 W369 | W302-V344 HydrophobicContact CD2-CG1 4.27Å; W302-V344 HydrophobicContact CD2-CG2 4.29Å; W302-V344 HydrophobicContact CZ2-CG2 3.79Å; V338-V344 HydrophobicContact CG2-CG2 4.44Å; D342-V344 WeakPolarHBondContact O-CG2 3.27Å; V344-R356 HydrophobicContact CB-CB 3.8Å; V344-R356 PolarHBondContact O-N 3.17Å; V344-V359 HydrophobicContact CG2-CG2 4.37Å; V344-W369 HydrophobicContact CG1-CH2 3.99Å; V344-W369 HydrophobicContact CG1-CZ3 4.29Å |
| 345 | W | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 151.3 | 173.4 | -54 | 89.1 | 0 | 0 | 0 | 109.5 | L6 V336 D337 Y354 F355 V372 V528 V535 W543 | L6-W345 HydrophobicContact CD1-CD2 3.74Å; L6-W345 HydrophobicContact CD1-CE3 4.05Å; L6-W345 HydrophobicContact CD1-CG 4.13Å; L6-W345 HydrophobicContact CD1-CZ2 4.28Å; L6-W345 HydrophobicContact CD1-CZ3 4.46Å; L6-W345 HydrophobicContact CD2-CD2 4.37Å; L6-W345 HydrophobicContact CD2-CE3 3.83Å; L6-W345 HydrophobicContact CD2-CH2 4.15Å; L6-W345 HydrophobicContact CD2-CZ3 3.7Å; V336-W345 CarbonylContact C-O 3.6Å; V336-W345 VanDerWaalsContact CA-O 3.27Å; V336-W345 WeakPolarHBondContact CA-O 3.4Å; D337-W345 PolarHBondContact N-O 3.18Å; D337-W345 PolarHBondContact O-N 2.92Å; W345-Y354 WeakPolarHBondContact CA-O 3.47Å; W345-F355 AromaticContact CD2-CD2 3.92Å; W345-F355 HydrophobicContact CD2-CD2 3.92Å; W345-F355 AromaticContact CE2-CD2 3.82Å; W345-F355 HydrophobicContact CE3-CB 4.04Å; W345-F355 AromaticContact CE3-CD2 3.74Å; W345-F355 HydrophobicContact CE3-CD2 3.74Å; W345-F355 HydrophobicContact CE3-CG 4.36Å; W345-F355 HydrophobicContact CH2-CB 4.44Å; W345-F355 AromaticContact CH2-CD2 3.35Å; W345-F355 HydrophobicContact CH2-CD2 3.35Å; W345-F355 AromaticContact CH2-CE2 3.8Å; W345-F355 HydrophobicContact CH2-CE2 3.8Å; W345-F355 HydrophobicContact CH2-CG 4.11Å; W345-F355 AromaticContact CZ2-CD2 3.56Å; W345-F355 HydrophobicContact CZ2-CD2 3.56Å; W345-F355 AromaticContact CZ2-CE2 3.68Å; W345-F355 HydrophobicContact CZ2-CE2 3.68Å; W345-F355 HydrophobicContact CZ3-CB 3.78Å; W345-F355 AromaticContact CZ3-CD2 3.46Å; W345-F355 HydrophobicContact CZ3-CD2 3.46Å; W345-F355 VanDerWaalsContact CZ3-CD2 3.46Å; W345-F355 HydrophobicContact CZ3-CE2 4.36Å; W345-F355 AromaticContact CZ3-CG 3.95Å; W345-F355 HydrophobicContact CZ3-CG 3.95Å; W345-V372 HydrophobicContact CE3-CG2 4.28Å; W345-V372 HydrophobicContact CZ3-CG2 3.9Å; W345-V528 HydrophobicContact CB-CG1 3.84Å; W345-V528 HydrophobicContact CB-CG2 4.12Å; W345-V535 HydrophobicContact CH2-CG2 4.41Å; W345-V535 HydrophobicContact CZ2-CG2 3.97Å; W345-W543 AromaticContact CH2-CH2 3.62Å; W345-W543 HydrophobicContact CH2-CH2 3.62Å; W345-W543 AromaticContact CH2-CZ3 3.62Å; W345-W543 HydrophobicContact CH2-CZ3 3.62Å; W345-W543 HydrophobicContact CZ3-CH2 4.13Å; W345-W543 AromaticContact CZ3-CZ3 3.77Å; W345-W543 HydrophobicContact CZ3-CZ3 3.77Å |
| 346 | A | 91.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 154.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | M333 M335 V336 L353 Y354 W369 | M333-A346 HydrophobicContact CE-CB 4.38Å; M333-A346 HydrophobicContact CG-CB 4.02Å; M333-A346 HydrophobicContact SD-CB 3.58Å; M333-A346 VanDerWaalsContact SD-CB 3.58Å; M335-A346 WeakPolarHBondContact O-CA 3.48Å; V336-A346 HydrophobicContact CG1-CB 3.89Å; A346-L353 WeakPolarHBondContact O-CD1 3.46Å; A346-Y354 PolarHBondContact N-O 2.82Å; A346-Y354 PolarHBondContact O-N 3.48Å; A346-W369 HydrophobicContact CB-CE3 4.27Å; A346-W369 HydrophobicContact CB-CH2 3.78Å; A346-W369 HydrophobicContact CB-CZ3 3.57Å |
| 347 | V | 90.7 | Very high | 87 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.2 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | M333 M334 M335 G352 L353 W525 V528 | M333-V347 CarbonylContact C-O 3.59Å; M333-V347 WeakPolarHBondContact CA-O 3.05Å; M334-V347 HydrophobicContact CE-CG1 3.61Å; M334-V347 PolarHBondContact N-O 2.58Å; M335-V347 HydrophobicContact CG-CB 4.28Å; M335-V347 HydrophobicContact CG-CG2 4.33Å; M335-V347 PolarHBondContact O-N 2.89Å; M335-V347 HydrophobicContact SD-CB 4.35Å; M335-V347 HydrophobicContact SD-CG2 3.89Å; V347-G352 WeakPolarHBondContact CA-O 3.5Å; V347-L353 HydrophobicContact CG2-CD1 4.08Å; V347-W525 HydrophobicContact CG1-CB 4.03Å; V347-W525 HydrophobicContact CG2-CB 4.25Å; V347-V528 HydrophobicContact CG2-CG1 4.23Å |
| 348 | G | 85.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 167.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | M333 M334 D350 R351 G352 | M333-G348 VanDerWaalsContact SD-CA 3.59Å; M334-G348 WeakPolarHBondContact CE-O 3.33Å; G348-D350 WeakPolarHBondContact CA-OD1 3.33Å; G348-D350 PolarHBondContact O-N 2.64Å; G348-R351 WeakPolarHBondContact O-CA 3.21Å; G348-R351 PolarHBondContact O-N 2.88Å; G348-G352 PolarHBondContact N-O 3.31Å |
| 349 | E | 80.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 27.2 Ų | 27.2 | 48% | 0.477 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.2 | 167.9 | -173.4 | 175.8 | 179.7 | 0 | 0 | 111.6 | F308 E332 R351 | F308-E349 HydrophobicContact CD2-CG 4.18Å; F308-E349 WeakPolarHBondContact CD2-OE2 3.4Å; F308-E349 HydrophobicContact CE2-CG 4.14Å; E332-E349 PolarHBondContact O-N 3.11Å; E349-R351 PolarHBondContact O-N 2.98Å; E349-R351 VanDerWaalsContact O-N 3.09Å |
| 350 | D | 78.4 | Confident | 86.3 | Confident | 79 Ų | 79 | 29.8 Ų | 29.8 | 42% | 0.422 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -0.1 | 169.6 | 80.1 | -33.7 | 0 | 0 | 0 | 114.1 | G348 G352 Y354 M1102 | G348-D350 WeakPolarHBondContact CA-OD1 3.33Å; G348-D350 PolarHBondContact O-N 2.64Å; D350-G352 PolarHBondContact O-N 2.83Å; D350-G352 VanDerWaalsContact O-N 3.1Å; D350-G352 PolarHBondContact OD1-N 2.88Å; D350-Y354 WeakPolarHBondContact OD1-CE2 3.37Å; D350-Y354 PolarHBondContact OD2-OH 3.22Å; D350-Y354 VanDerWaalsContact OD2-OH 3.08Å; D350-M1102 WeakPolarHBondContact O-CE 3.49Å |
| 351 | R | 81.4 | Confident | 86.3 | Confident | 54 Ų | 54 | 38.7 Ų | 38.7 | 20% | 0.204 | 20% | 0.199 | C | C | . | . | trans | 59.5 | 16 | -176 | -49.1 | -173.9 | 174.9 | -80.5 | 1.7 | 114 | M334 G348 E349 V524 W525 P1101 M1102 | M334-R351 HydrophobicContact CE-CB 4.48Å; M334-R351 HydrophobicContact CE-CG 3.87Å; G348-R351 WeakPolarHBondContact O-CA 3.21Å; G348-R351 PolarHBondContact O-N 2.88Å; E349-R351 PolarHBondContact O-N 2.98Å; E349-R351 VanDerWaalsContact O-N 3.09Å; R351-V524 HydrophobicContact CB-CG1 3.67Å; R351-V524 HydrophobicContact CG-CG1 4.05Å; R351-W525 WeakPolarHBondContact O-CB 3.33Å; R351-W525 PolarHBondContact O-N 3.05Å; R351-W525 VanDerWaalsContact O-N 3.13Å; R351-P1101 PolarHBondContact NE-O 2.9Å; R351-M1102 HydrophobicContact CB-SD 4.02Å; R351-M1102 HydrophobicContact CG-SD 4.21Å | ||
| 352 | G | 84.6 | Confident | 86.3 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | trans | -72 | 154.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V347 G348 D350 | V347-G352 WeakPolarHBondContact CA-O 3.5Å; G348-G352 PolarHBondContact N-O 3.31Å; D350-G352 PolarHBondContact O-N 2.83Å; D350-G352 VanDerWaalsContact O-N 3.1Å; D350-G352 PolarHBondContact OD1-N 2.88Å | ||
| 353 | L | 88.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.2 | 176 | -173.9 | 71.4 | 0 | 0 | 0 | 110.4 | L6 W25 A346 V347 P371 V372 W525 V528 | L6-L353 HydrophobicContact CD2-CD2 4.18Å; W25-L353 HydrophobicContact CH2-CD2 3.83Å; W25-L353 HydrophobicContact CZ2-CD2 3.54Å; A346-L353 WeakPolarHBondContact O-CD1 3.46Å; V347-L353 HydrophobicContact CG2-CD1 4.08Å; L353-P371 CarbonylContact O-C 3.44Å; L353-P371 WeakPolarHBondContact O-CA 3.32Å; L353-V372 HydrophobicContact CB-CB 4.3Å; L353-V372 HydrophobicContact CD2-CB 3.96Å; L353-V372 HydrophobicContact CD2-CG1 4.02Å; L353-V372 HydrophobicContact CD2-CG2 4.11Å; L353-V372 HydrophobicContact CG-CB 4.15Å; L353-V372 HydrophobicContact CG-CG2 4.03Å; L353-V372 PolarHBondContact O-N 2.86Å; L353-W525 HydrophobicContact CB-CG 4.32Å; L353-V528 HydrophobicContact CD1-CB 3.63Å; L353-V528 HydrophobicContact CD1-CG1 3.89Å; L353-V528 HydrophobicContact CD1-CG2 3.83Å |
| 354 | Y | 90.3 | Very high | 86 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 21% | 0.212 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 152.1 | -173.9 | -67.7 | -85.1 | 0 | 0 | 0 | 113.3 | M333 W345 A346 D350 W369 I370 P371 | M333-Y354 HydrophobicContact CE-CD2 4.12Å; M333-Y354 HydrophobicContact CE-CG 4.14Å; M333-Y354 HydrophobicContact SD-CD2 4.13Å; W345-Y354 WeakPolarHBondContact CA-O 3.47Å; A346-Y354 PolarHBondContact N-O 2.82Å; A346-Y354 PolarHBondContact O-N 3.48Å; D350-Y354 WeakPolarHBondContact OD1-CE2 3.37Å; D350-Y354 PolarHBondContact OD2-OH 3.22Å; D350-Y354 VanDerWaalsContact OD2-OH 3.08Å; Y354-W369 HydrophobicContact CD1-CB 4.22Å; Y354-I370 CarbonylContact C-O 3.6Å; Y354-I370 VanDerWaalsContact CA-O 3.28Å; Y354-I370 WeakPolarHBondContact CA-O 3.43Å; Y354-P371 HydrophobicContact CD1-CB 4.42Å; Y354-P371 HydrophobicContact CE1-CB 4.17Å |
| 355 | F | 91 | Very high | 85.7 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.3 | 173.6 | 175.8 | -105.1 | 0 | 0 | 0 | 110.3 | Q343 W345 M357 W369 I370 V372 V535 L544 | Q343-F355 HydrophobicContact CB-CE2 4.09Å; W345-F355 AromaticContact CD2-CD2 3.92Å; W345-F355 HydrophobicContact CD2-CD2 3.92Å; W345-F355 AromaticContact CE2-CD2 3.82Å; W345-F355 HydrophobicContact CE3-CB 4.04Å; W345-F355 AromaticContact CE3-CD2 3.74Å; W345-F355 HydrophobicContact CE3-CD2 3.74Å; W345-F355 HydrophobicContact CE3-CG 4.36Å; W345-F355 HydrophobicContact CH2-CB 4.44Å; W345-F355 AromaticContact CH2-CD2 3.35Å; W345-F355 HydrophobicContact CH2-CD2 3.35Å; W345-F355 AromaticContact CH2-CE2 3.8Å; W345-F355 HydrophobicContact CH2-CE2 3.8Å; W345-F355 HydrophobicContact CH2-CG 4.11Å; W345-F355 AromaticContact CZ2-CD2 3.56Å; W345-F355 HydrophobicContact CZ2-CD2 3.56Å; W345-F355 AromaticContact CZ2-CE2 3.68Å; W345-F355 HydrophobicContact CZ2-CE2 3.68Å; W345-F355 HydrophobicContact CZ3-CB 3.78Å; W345-F355 AromaticContact CZ3-CD2 3.46Å; W345-F355 HydrophobicContact CZ3-CD2 3.46Å; W345-F355 VanDerWaalsContact CZ3-CD2 3.46Å; W345-F355 HydrophobicContact CZ3-CE2 4.36Å; W345-F355 AromaticContact CZ3-CG 3.95Å; W345-F355 HydrophobicContact CZ3-CG 3.95Å; F355-M357 HydrophobicContact CD1-CG 4.19Å; F355-M357 HydrophobicContact CE1-CG 4.36Å; F355-M357 PolarHBondContact O-N 3.2Å; F355-W369 CarbonylContact O-C 3.57Å; F355-W369 WeakPolarHBondContact O-CA 3.43Å; F355-I370 HydrophobicContact CB-CG1 4.16Å; F355-I370 HydrophobicContact CD1-CD1 4.19Å; F355-I370 HydrophobicContact CD1-CG1 4.15Å; F355-I370 PolarHBondContact N-O 2.98Å; F355-I370 PolarHBondContact O-N 2.86Å; F355-V372 HydrophobicContact CB-CG2 4.18Å; F355-V535 HydrophobicContact CZ-CG1 4.19Å; F355-L544 HydrophobicContact CB-CD2 3.85Å; F355-L544 HydrophobicContact CD1-CD1 3.94Å; F355-L544 HydrophobicContact CD1-CD2 3.88Å; F355-L544 HydrophobicContact CE1-CD1 3.87Å; F355-L544 HydrophobicContact CG-CD1 4.31Å; F355-L544 HydrophobicContact CG-CD2 3.9Å; F355-L544 HydrophobicContact CZ-CD1 4.19Å |
| 356 | R | 90.1 | Very high | 85.4 | Confident | 20 Ų | 20 | 47 Ų | 47 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.2 | 178.1 | -168.6 | 76.3 | -174.5 | 161.2 | 9.2 | 110.6 | W302 V344 V359 S365 G366 G368 W369 | W302-R356 HydrophobicContact CH2-CG 4.46Å; V344-R356 HydrophobicContact CB-CB 3.8Å; V344-R356 PolarHBondContact O-N 3.17Å; R356-V359 HydrophobicContact CB-CG2 3.87Å; R356-V359 HydrophobicContact CG-CG2 3.46Å; R356-V359 VanDerWaalsContact CG-CG2 3.46Å; R356-S365 PolarHBondContact NE-O 2.95Å; R356-S365 PolarHBondContact NH2-O 3.39Å; R356-G366 PolarHBondContact NH2-O 3.05Å; R356-G368 CarbonylContact C-O 3.55Å; R356-G368 WeakPolarHBondContact CA-O 3.4Å; R356-W369 HydrophobicContact CB-CE3 3.9Å; R356-W369 HydrophobicContact CB-CH2 4.26Å; R356-W369 HydrophobicContact CB-CZ3 3.7Å; R356-W369 HydrophobicContact CG-CZ3 4.41Å |
| 357 | M | 86.4 | Confident | 85 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 147.7 | 176.1 | -71.1 | -148.6 | -57.9 | 0 | 0 | 112.7 | F355 V359 G366 N367 G368 I370 | F355-M357 HydrophobicContact CD1-CG 4.19Å; F355-M357 HydrophobicContact CE1-CG 4.36Å; F355-M357 PolarHBondContact O-N 3.2Å; M357-V359 VanDerWaalsContact C-N 3.33Å; M357-V359 PolarHBondContact O-N 3.49Å; M357-G366 CarbonylContact O-C 3.58Å; M357-G366 WeakPolarHBondContact O-CA 3.49Å; M357-N367 PolarHBondContact O-N 3.4Å; M357-G368 PolarHBondContact N-O 3.01Å; M357-I370 HydrophobicContact CE-CG2 3.73Å; M357-I370 HydrophobicContact CG-CB 4.45Å; M357-I370 HydrophobicContact CG-CD1 3.64Å; M357-I370 HydrophobicContact CG-CG1 3.75Å; M357-I370 HydrophobicContact CG-CG2 3.9Å; M357-I370 HydrophobicContact SD-CD1 3.74Å; M357-I370 HydrophobicContact SD-CG1 4.35Å; M357-I370 HydrophobicContact SD-CG2 3.96Å |
| 358 | G | 81.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 5.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T360 | G358-T360 PolarHBondContact O-N 3.34Š|
| 359 | V | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -65.9 | 120 | 174 | -178 | 0 | 0 | 0 | 0 | 109.2 | D342 Q343 V344 R356 M357 | D342-V359 WeakPolarHBondContact O-CG1 3.42Å; Q343-V359 PolarHBondContact NE2-O 2.87Å; V344-V359 HydrophobicContact CG2-CG2 4.37Å; R356-V359 HydrophobicContact CB-CG2 3.87Å; R356-V359 HydrophobicContact CG-CG2 3.46Å; R356-V359 VanDerWaalsContact CG-CG2 3.46Å; M357-V359 VanDerWaalsContact C-N 3.33Å; M357-V359 PolarHBondContact O-N 3.49Å | ||
| 360 | T | 84.6 | Confident | 85.2 | Confident | 53 Ų | 53 | 52 Ų | 52 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | trans | -144.3 | 167.8 | 178.1 | 63.6 | 0 | 0 | 0 | 0 | 110 | G358 A362 E363 P364 A537 | G358-T360 PolarHBondContact O-N 3.34Å; T360-A362 PolarHBondContact O-N 2.89Å; T360-A362 VanDerWaalsContact O-N 3.12Å; T360-A362 PolarHBondContact OG1-N 3.3Å; T360-E363 PolarHBondContact N-O 3.34Å; T360-E363 CarbonylContact O-C 3.56Å; T360-E363 PolarHBondContact O-N 2.88Å; T360-E363 VanDerWaalsContact O-N 3.12Å; T360-E363 PolarHBondContact OG1-N 2.86Å; T360-P364 WeakPolarHBondContact O-CA 3.35Å; T360-P364 VanDerWaalsContact O-N 3.1Å; T360-A537 HydrophobicContact CG2-CB 4.23Å | ||
| 361 | Q | 79.3 | Confident | 85.5 | Confident | 198 Ų | 198 | 52 Ų | 52 | 93% | 0.925 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -60.3 | -20.4 | 173.7 | -68.8 | -177 | -11.4 | 0 | 0 | 113.8 | ||
| 362 | A | 82.4 | Confident | 85.6 | Confident | 92 Ų | 92 | 50.2 Ų | 50.2 | 76% | 0.76 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -88.8 | -35 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T360 P364 | T360-A362 PolarHBondContact O-N 2.89Å; T360-A362 VanDerWaalsContact O-N 3.12Å; T360-A362 PolarHBondContact OG1-N 3.3Å; A362-P364 VanDerWaalsContact C-CD 3.49Å; A362-P364 WeakPolarHBondContact O-CD 3.28Å |
| 363 | E | 84.9 | Confident | 85.1 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 31% | 0.311 | S | S | . | . | trans | -124.3 | 70 | -179.5 | -63.5 | -172.9 | 162.7 | 0 | 0 | 110.9 | T360 S365 G366 N367 | T360-E363 PolarHBondContact N-O 3.34Å; T360-E363 CarbonylContact O-C 3.56Å; T360-E363 PolarHBondContact O-N 2.88Å; T360-E363 VanDerWaalsContact O-N 3.12Å; T360-E363 PolarHBondContact OG1-N 2.86Å; E363-S365 PolarHBondContact O-N 3.09Å; E363-S365 VanDerWaalsContact O-N 3.14Å; E363-G366 PolarHBondContact O-N 3.43Å; E363-N367 PolarHBondContact OE2-ND2 2.92Å | ||
| 364 | P | 83.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 25% | 0.253 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -12.5 | -170.5 | 26.2 | -35.9 | 0 | 0 | 0 | 114.8 | V300 F312 T360 A362 | V300-P364 HydrophobicContact CG1-CB 3.8Å; F312-P364 HydrophobicContact CE2-CB 4.22Å; F312-P364 HydrophobicContact CZ-CB 3.94Å; F312-P364 HydrophobicContact CZ-CG 3.93Å; T360-P364 WeakPolarHBondContact O-CA 3.35Å; T360-P364 VanDerWaalsContact O-N 3.1Å; A362-P364 VanDerWaalsContact C-CD 3.49Å; A362-P364 WeakPolarHBondContact O-CD 3.28Å |
| 365 | S | 85.1 | Confident | 83.3 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -17.7 | 172.2 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | W302 R356 E363 | W302-S365 WeakPolarHBondContact CH2-O 3.37Å; R356-S365 PolarHBondContact NE-O 2.95Å; R356-S365 PolarHBondContact NH2-O 3.39Å; E363-S365 PolarHBondContact O-N 3.09Å; E363-S365 VanDerWaalsContact O-N 3.14Å |
| 366 | G | 86.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | trans | 58.1 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R356 M357 E363 | R356-G366 PolarHBondContact NH2-O 3.05Å; M357-G366 CarbonylContact O-C 3.58Å; M357-G366 WeakPolarHBondContact O-CA 3.49Å; E363-G366 PolarHBondContact O-N 3.43Å | ||
| 367 | N | 83.3 | Confident | 80 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -107.5 | -20.2 | -163.6 | -69.1 | -40.8 | 0 | 0 | 0 | 114.3 | M357 E363 | M357-N367 PolarHBondContact O-N 3.4Å; E363-N367 PolarHBondContact OE2-ND2 2.92Å |
| 368 | G | 85.5 | Confident | 77.6 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 24% | 0.237 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 170.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R356 M357 | R356-G368 CarbonylContact C-O 3.55Å; R356-G368 WeakPolarHBondContact CA-O 3.4Å; M357-G368 PolarHBondContact N-O 3.01Å |
| 369 | W | 88 | Confident | 75.3 | Confident | 46 Ų | 46 | 70.7 Ų | 70.7 | 17% | 0.174 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 142 | 172.4 | -60.2 | 107.8 | 0 | 0 | 0 | 110.5 | W302 V310 G330 M333 V336 V344 A346 Y354 F355 R356 | W302-W369 HydrophobicContact CZ3-CZ2 4.38Å; V310-W369 HydrophobicContact CG1-CZ2 4.34Å; V310-W369 HydrophobicContact CG2-CZ2 4.46Å; G330-W369 VanDerWaalsContact O-CD1 3.24Å; G330-W369 PolarHBondContact O-NE1 2.95Å; M333-W369 HydrophobicContact CE-CB 4.45Å; M333-W369 HydrophobicContact CE-CD2 3.72Å; M333-W369 HydrophobicContact CE-CE3 4.24Å; M333-W369 HydrophobicContact CE-CG 3.81Å; M333-W369 HydrophobicContact CE-CZ2 4.37Å; V336-W369 HydrophobicContact CG1-CH2 4.49Å; V344-W369 HydrophobicContact CG1-CH2 3.99Å; V344-W369 HydrophobicContact CG1-CZ3 4.29Å; A346-W369 HydrophobicContact CB-CE3 4.27Å; A346-W369 HydrophobicContact CB-CH2 3.78Å; A346-W369 HydrophobicContact CB-CZ3 3.57Å; Y354-W369 HydrophobicContact CD1-CB 4.22Å; F355-W369 CarbonylContact O-C 3.57Å; F355-W369 WeakPolarHBondContact O-CA 3.43Å; R356-W369 HydrophobicContact CB-CE3 3.9Å; R356-W369 HydrophobicContact CB-CH2 4.26Å; R356-W369 HydrophobicContact CB-CZ3 3.7Å; R356-W369 HydrophobicContact CG-CZ3 4.41Å |
| 370 | I | 87.7 | Confident | 72.9 | Confident | 24 Ų | 24 | 77.8 Ų | 77.8 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.6 | 167.8 | 60.6 | 167.1 | 0 | 0 | 0 | 110.5 | Y354 F355 M357 L544 | Y354-I370 CarbonylContact C-O 3.6Å; Y354-I370 VanDerWaalsContact CA-O 3.28Å; Y354-I370 WeakPolarHBondContact CA-O 3.43Å; F355-I370 HydrophobicContact CB-CG1 4.16Å; F355-I370 HydrophobicContact CD1-CD1 4.19Å; F355-I370 HydrophobicContact CD1-CG1 4.15Å; F355-I370 PolarHBondContact N-O 2.98Å; F355-I370 PolarHBondContact O-N 2.86Å; M357-I370 HydrophobicContact CE-CG2 3.73Å; M357-I370 HydrophobicContact CG-CB 4.45Å; M357-I370 HydrophobicContact CG-CD1 3.64Å; M357-I370 HydrophobicContact CG-CG1 3.75Å; M357-I370 HydrophobicContact CG-CG2 3.9Å; M357-I370 HydrophobicContact SD-CD1 3.74Å; M357-I370 HydrophobicContact SD-CG1 4.35Å; M357-I370 HydrophobicContact SD-CG2 3.96Å; I370-L544 HydrophobicContact CD1-CB 4.05Å; I370-L544 HydrophobicContact CD1-CD2 3.96Å; I370-L544 WeakPolarHBondContact CD1-O 3.42Å |
| 371 | P | 85.4 | Confident | 70.2 | Confident | 77 Ų | 77 | 84.2 Ų | 84.2 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 149.5 | 173.9 | 30.8 | -35.1 | 0 | 0 | 0 | 111.4 | L353 Y354 | L353-P371 CarbonylContact O-C 3.44Å; L353-P371 WeakPolarHBondContact O-CA 3.32Å; Y354-P371 HydrophobicContact CD1-CB 4.42Å; Y354-P371 HydrophobicContact CE1-CB 4.17Å |
| 372 | V | 83.7 | Confident | 67.9 | Low | 17 Ų | 17 | 82.8 Ų | 82.8 | 10% | 0.103 | 46% | 0.457 | C | S | . | . | trans | -91.8 | 101.1 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 110 | L18 W25 W345 L353 F355 W543 L544 | L18-V372 HydrophobicContact CD2-CG1 3.99Å; W25-V372 HydrophobicContact CZ2-CG1 4.34Å; W345-V372 HydrophobicContact CE3-CG2 4.28Å; W345-V372 HydrophobicContact CZ3-CG2 3.9Å; L353-V372 HydrophobicContact CB-CB 4.3Å; L353-V372 HydrophobicContact CD2-CB 3.96Å; L353-V372 HydrophobicContact CD2-CG1 4.02Å; L353-V372 HydrophobicContact CD2-CG2 4.11Å; L353-V372 HydrophobicContact CG-CB 4.15Å; L353-V372 HydrophobicContact CG-CG2 4.03Å; L353-V372 PolarHBondContact O-N 2.86Å; F355-V372 HydrophobicContact CB-CG2 4.18Å; V372-W543 HydrophobicContact CG1-CE3 3.72Å; V372-W543 HydrophobicContact CG1-CZ3 3.93Å; V372-L544 HydrophobicContact CG2-CD2 4.38Å | ||
| 373 | S | 73.4 | Confident | 65.3 | Low | 90 Ų | 90 | 85.9 Ų | 85.9 | 63% | 0.629 | 46% | 0.459 | S | S | * | . | trans | -103.6 | 95.7 | -173.2 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | W543 | S373-W543 PolarHBondContact N-O 2.81Å; S373-W543 WeakPolarHBondContact O-CA 3.39Å; S373-W543 WeakPolarHBondContact O-CB 3.48Å | ||
| 374 | A | 72.9 | Confident | 62.5 | Low | 17 Ų | 17 | 86 Ų | 86 | 14% | 0.14 | 47% | 0.468 | C | S | . | . | trans | -124.5 | 151.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L18 W543 | L18-A374 HydrophobicContact CD1-CB 3.77Å; L18-A374 HydrophobicContact CD2-CB 3.94Å; A374-W543 HydrophobicContact CB-CB 4.04Å; A374-W543 HydrophobicContact CB-CG 4.44Å | ||
| 375 | Q | 67.1 | Low | 59.9 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 160.6 | -177.1 | -69.7 | 178.6 | 4.1 | 0 | 0 | 112.7 | Q23 R24 W25 | Q23-Q375 PolarHBondContact O-N 3.02Å; R24-Q375 WeakPolarHBondContact CA-O 3.47Å; R24-Q375 HydrophobicContact CG-CB 3.69Å; W25-Q375 PolarHBondContact N-O 3.08Å; W25-Q375 VanDerWaalsContact N-O 3.09Å |
| 376 | W | 67.4 | Low | 57.1 | Low | 101 Ų | 101 | 99.2 Ų | 99.2 | 38% | 0.383 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 154.1 | 171.6 | -47.7 | 118.4 | 0 | 0 | 0 | 111.3 | W25 P523 W525 | W25-W376 HydrophobicContact CB-CE3 3.9Å; W25-W376 HydrophobicContact CB-CZ3 3.66Å; W25-W376 AromaticContact CD1-CE3 3.95Å; W25-W376 AromaticContact CD1-CH2 3.51Å; W25-W376 AromaticContact CD1-CZ3 3.13Å; W25-W376 HydrophobicContact CG-CE3 4.23Å; W25-W376 HydrophobicContact CG-CH2 4.29Å; W25-W376 AromaticContact CG-CZ3 3.53Å; W25-W376 HydrophobicContact CG-CZ3 3.53Å; W25-W376 AromaticContact NE1-CH2 3.96Å; W25-W376 AromaticContact NE1-CZ3 3.97Å; W376-P523 HydrophobicContact CE3-CG 4.16Å; W376-P523 HydrophobicContact CH2-CG 3.48Å; W376-P523 VanDerWaalsContact CH2-CG 3.48Å; W376-P523 HydrophobicContact CZ2-CG 4.25Å; W376-P523 VanDerWaalsContact CZ3-CD 3.42Å; W376-P523 HydrophobicContact CZ3-CG 3.37Å; W376-W525 HydrophobicContact CH2-CZ2 4.29Å; W376-W525 HydrophobicContact CZ3-CZ2 4.4Å |
| 377 | G | 46.3 | Very low | 54.3 | Low | 37 Ų | 37 | 106.4 Ų | 106.4 | 38% | 0.381 | 56% | 0.559 | S | S | . | * | trans | -164.3 | 151.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 378 | I | 34.3 | Very low | 51.6 | Low | 161 Ų | 161 | 110.1 Ų | 110.1 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | trans | -127.4 | 132.6 | 174.9 | -61.3 | 177.3 | 0 | 0 | 0 | 108.1 | ||||
| 379 | N | 33.9 | Very low | 48.8 | Very low | 154 Ų | 154 | 115 Ų | 115 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 67.1 | 153.6 | -179.4 | -75.8 | -19.4 | 0 | 0 | 0 | 118.4 | ||
| 380 | K | 36.3 | Very low | 45.8 | Very low | 149 Ų | 149 | 122 Ų | 122 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | trans | -83.7 | 117.8 | 179.7 | -65.2 | 155.6 | 179.2 | 132.9 | 0 | 109.5 | D29 | D29-K380 IonicContact OD1-NZ 2.8Å; D29-K380 PolarHBondContact OD1-NZ 2.71Å; D29-K380 VanDerWaalsContact OD1-NZ 3.17Å; D29-K380 IonicContact OD2-NZ 3.45Å; D29-K380 PolarHBondContact OD2-NZ 3.2Å | ||
| 381 | E | 27.2 | Very low | 42.8 | Very low | 187 Ų | 187 | 130.3 Ų | 130.3 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | trans | -79.9 | 126.3 | 148.8 | -73.4 | -169.7 | 146.4 | 0 | 0 | 107.9 | I383 | E381-I383 PolarHBondContact O-N 3.22Š| ||
| 382 | L | 31.5 | Very low | 39.9 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 89% | 0.885 | 69% | 0.685 | S | S | * | * | trans | -71.5 | 108.8 | 173.9 | -83.7 | 152.2 | 0 | 0 | 0 | 108.6 | P384 | L382-P384 VanDerWaalsContact O-CD 3.24Å; L382-P384 WeakPolarHBondContact O-CD 3.5Å | ||
| 383 | I | 28.1 | Very low | 37.1 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 81% | 0.805 | 72% | 0.716 | S | S | * | * | trans | -69.4 | 114.6 | 169.9 | -58.9 | 172.3 | 0 | 0 | 0 | 107.4 | E381 | E381-I383 PolarHBondContact O-N 3.22Š| ||
| 384 | P | 26.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | -69.4 | 150.2 | 172.1 | 31 | -34.4 | 0 | 0 | 0 | 109.9 | L382 | L382-P384 VanDerWaalsContact O-CD 3.24Å; L382-P384 WeakPolarHBondContact O-CD 3.5Å | ||
| 385 | P | 27.8 | Very low | 32.4 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -59.5 | 142.1 | 173 | 27.1 | -34.2 | 0 | 0 | 0 | 110.3 | D387 | P385-D387 PolarHBondContact O-N 2.84Š| ||
| 386 | R | 26.9 | Very low | 30.5 | Very low | 246 Ų | 246 | 146.2 Ų | 146.2 | 93% | 0.928 | 77% | 0.77 | S | S | * | * | trans | -86.2 | 103.1 | 172.7 | -75.1 | -173.2 | 175.1 | -167.4 | -1.4 | 109.7 | E388 | R386-E388 PolarHBondContact O-N 3Š| ||
| 387 | D | 27.1 | Very low | 28.4 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -75.9 | 108.8 | 163.8 | -71.3 | -41.9 | 0 | 0 | 0 | 110 | P385 | P385-D387 PolarHBondContact O-N 2.84Š| ||
| 388 | E | 26.4 | Very low | 27.4 | Very low | 194 Ų | 194 | 153.7 Ų | 153.7 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -140.5 | 98.2 | 157.9 | -84.4 | -166.5 | 165.8 | 0 | 0 | 110.1 | R386 | R386-E388 PolarHBondContact O-N 3Š| ||
| 389 | C | 26.4 | Very low | 27 | Very low | 126 Ų | 126 | 150.4 Ų | 150.4 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -158.6 | 91.4 | 151.1 | -165.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 390 | E | 24.9 | Very low | 26.7 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -70.4 | 131.7 | 169.3 | -67.1 | -170.4 | 126.4 | 0 | 0 | 110.4 | ||||
| 391 | F | 24.8 | Very low | 26.1 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -145.8 | 142.5 | 153.5 | -140.5 | -93.1 | 0 | 0 | 0 | 111.2 | ||||
| 392 | S | 25.3 | Very low | 26 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -89.7 | 147.5 | -169.5 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 393 | G | 24.6 | Very low | 25.7 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -163.8 | 26.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 394 | H | 24.4 | Very low | 26.5 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 69.6 | 166 | 160.5 | -142.6 | -87.9 | 0 | 0 | 0 | 120.1 | ||||
| 395 | L | 24.2 | Very low | 26.4 | Very low | 137 Ų | 137 | 141 Ų | 141 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | trans | -96.7 | 151 | -173.9 | -45.2 | 96.3 | 0 | 0 | 0 | 114.7 | ||||
| 396 | T | 25.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | -174.2 | 132.4 | 113 | 33.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 397 | E | 23.7 | Very low | 26.2 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 50 | 125.5 | 87 | -97.1 | -176.5 | -171.4 | 0 | 0 | 113.7 | |||||
| 398 | T | 24.6 | Very low | 26.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | cis | -146.3 | 158.7 | 27.7 | 31.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 399 | S | 26.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | 54.4 | 133.5 | 81.1 | 130.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 400 | Q | 27 | Very low | 26.3 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | cis | -152.9 | 175.6 | 9.7 | -97.6 | 164.4 | 21 | 0 | 0 | 108.2 | ||||
| 401 | G | 25.1 | Very low | 26.4 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | -179.3 | -161.8 | 10.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 402 | S | 24.1 | Very low | 26.4 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -79.2 | 155.9 | -155.2 | -49.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 403 | A | 25.3 | Very low | 26.3 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -51 | -162.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 404 | P | 44.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | cis | -142.3 | 170.5 | -7.9 | 41.2 | -23.8 | 0 | 0 | 0 | 117.1 | ||||
| 405 | S | 24.8 | Very low | 26.2 | Very low | 126 Ų | 126 | 127.1 Ų | 127.1 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | trans | -176.1 | 154.2 | 141.1 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 406 | G | 24.3 | Very low | 26.4 | Very low | 62 Ų | 62 | 129.4 Ų | 129.4 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | cis | 157.3 | 125.1 | -15.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 407 | T | 26.8 | Very low | 26.7 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 59.9 | 139.5 | 163.6 | 47.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 408 | D | 25.9 | Very low | 26.8 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -165.8 | 164.5 | 26.8 | -116.3 | -5.1 | 0 | 0 | 0 | 114.7 | ||||
| 409 | S | 28.8 | Very low | 27 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 54.7 | 106.7 | 142.1 | -55.9 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 410 | D | 25.8 | Very low | 26.9 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | 47.4 | 126 | 112.9 | -67.7 | -7.9 | 0 | 0 | 0 | 125.9 | |||||
| 411 | S | 26.6 | Very low | 27 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 79.9 | 119 | 129.6 | 69.5 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 412 | E | 26.7 | Very low | 27 | Very low | 182 Ų | 182 | 125.4 Ų | 125.4 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | 83.5 | 148.6 | 129.5 | -76.7 | -160.5 | 161.6 | 0 | 0 | 126.9 | |||||
| 413 | E | 23.4 | Very low | 27.2 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | 80.6 | 129.1 | 148.8 | -81.9 | -127.5 | 118.1 | 0 | 0 | 124.6 | ||||
| 414 | V | 24 | Very low | 27.1 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 53% | 0.527 | 76% | 0.756 | S | S | . | * | 106.8 | 102.8 | 125.4 | 155.5 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 415 | K | 21.7 | Very low | 26.2 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 71.4 | 142.5 | 133.8 | -61.2 | 173.8 | -171.8 | 118.4 | 0 | 124 | ||||
| 416 | Q | 28.8 | Very low | 26.3 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | -65.2 | 168.2 | 158.1 | -58.5 | 173.7 | -30.6 | 0 | 0 | 112.2 | ||||
| 417 | P | 31.7 | Very low | 26.3 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -146.2 | 176.7 | 99 | 38.4 | -22.6 | 0 | 0 | 0 | 116.5 | |||||
| 418 | S | 25.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -90 | 173.7 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 419 | S | 28.3 | Very low | 26 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | 171.2 | 163.9 | 64 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 420 | A | 26.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | 46.9 | 142.4 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 421 | S | 27.3 | Very low | 26 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -159.6 | -149.5 | 2.4 | 44.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 422 | Q | 26.8 | Very low | 25.9 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | cis | -165.8 | 153.2 | 14 | -154.1 | 174.2 | -26.8 | 0 | 0 | 113.3 | ||||
| 423 | Q | 26.5 | Very low | 26 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 74.1 | 145.9 | 150.4 | -99.5 | 172.3 | -46.9 | 0 | 0 | 125.3 | ||||
| 424 | D | 24.6 | Very low | 26.1 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 67.3 | 149.1 | 155.4 | -66.8 | 1.8 | 0 | 0 | 0 | 123.7 | ||||
| 425 | A | 26.6 | Very low | 26.3 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -153 | 153.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 426 | P | 26.3 | Very low | 26.5 | Very low | 132 Ų | 132 | 133 Ų | 133 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -115.5 | 162.9 | 156.7 | 36.1 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 427 | K | 23.4 | Very low | 26.6 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | trans | -88.8 | 149.4 | 176.9 | -79.9 | 179.3 | 173.7 | 176.7 | 0 | 112.4 | ||||
| 428 | A | 25.2 | Very low | 26.2 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 38.7 | 126.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 429 | F | 22 | Very low | 26.2 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -130.5 | 137.7 | 143.7 | -122.8 | -88.7 | 0 | 0 | 0 | 110.4 | ||||
| 430 | I | 30.5 | Very low | 26.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -114.5 | 132.9 | 175 | -69.1 | 165.5 | 0 | 0 | 0 | 107.1 | A432 | I430-A432 HydrophobicContact CG2-CB 4.05Š| ||
| 431 | P | 24.1 | Very low | 26.2 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -106.9 | 103.6 | 151.1 | 32.2 | -22.1 | 0 | 0 | 0 | 109 | ||||
| 432 | A | 24.4 | Very low | 26.2 | Very low | 80 Ų | 80 | 136.9 Ų | 136.9 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | -95.8 | 135.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | I430 | I430-A432 HydrophobicContact CG2-CB 4.05Š| ||
| 433 | S | 29.1 | Very low | 26.2 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -141.9 | 114.3 | 168.6 | -68.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 434 | D | 24.6 | Very low | 26.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -73.8 | -179.7 | -179.3 | -64.6 | -78.6 | 0 | 0 | 0 | 113.5 | ||||
| 435 | S | 29.2 | Very low | 26.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 91.2 | 140.1 | 175.5 | 80.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 436 | F | 25.1 | Very low | 26.1 | Very low | 179 Ų | 179 | 144.5 Ų | 144.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | cis | -138.5 | 128.6 | 14.2 | -152.5 | -82.3 | 0 | 0 | 0 | 112 | N438 | F436-N438 HydrophobicContact CE1-CB 4.4Š| ||
| 437 | I | 31.1 | Very low | 26 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -114 | 116.8 | 159.5 | -65.3 | 178.2 | 0 | 0 | 0 | 107 | ||||
| 438 | N | 24.1 | Very low | 26 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | 167.2 | 99.1 | 143.9 | -90.1 | -28 | 0 | 0 | 0 | 112.2 | F436 | F436-N438 HydrophobicContact CE1-CB 4.4Š| ||
| 439 | S | 25.2 | Very low | 25.8 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 178.4 | 132.3 | 152.9 | -143.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 440 | L | 26.5 | Very low | 25.8 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | S | Bend | cis | -144 | 94 | 28.7 | -74.7 | 157.7 | 0 | 0 | 0 | 113 | ||
| 441 | V | 28.8 | Very low | 25.7 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -163.7 | 137.8 | 152.7 | -112.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 442 | S | 27.2 | Very low | 26.4 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | cis | -141.5 | -168.2 | -1.4 | -50.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 443 | D | 26.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | -161 | 165.6 | 1.9 | -147.1 | -63.8 | 0 | 0 | 0 | 109.5 | ||||
| 444 | R | 27.7 | Very low | 26.4 | Very low | 229 Ų | 229 | 141.3 Ų | 141.3 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | 178.8 | 111.7 | 129.7 | -104.9 | 179.8 | 162.2 | 173.6 | -4.5 | 115.6 | |||||
| 445 | D | 25.1 | Very low | 26.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | 38.1 | 107.6 | 127.8 | -82.7 | -54.2 | 0 | 0 | 0 | 121.9 | |||||
| 446 | R | 23.6 | Very low | 26.2 | Very low | 215 Ų | 215 | 143.1 Ų | 143.1 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | 76.8 | 126 | 108 | -137.8 | -178 | 177.3 | -171.5 | -2.6 | 122.3 | |||||
| 447 | T | 22.3 | Very low | 26.3 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 93.2 | 137.4 | 141.3 | 15.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 448 | S | 23.5 | Very low | 26.6 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | 85.6 | 114.1 | 144 | 63.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 449 | T | 22.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | 65.6 | 143.6 | 130.2 | 58.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 450 | T | 22.1 | Very low | 27 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | cis | -159.8 | 171.4 | 0.8 | 3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 451 | Q | 28.2 | Very low | 27 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -59.5 | 172.5 | 160.7 | -92.2 | -179.3 | -16.2 | 0 | 0 | 113.4 | ||||
| 452 | P | 38.8 | Very low | 26.9 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | cis | -135.8 | -156.4 | 29.8 | 39.5 | -15.4 | 0 | 0 | 0 | 113.6 | ||||
| 453 | S | 23.1 | Very low | 26.9 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | cis | -166.8 | 149 | 16.7 | 53.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 454 | I | 29.2 | Very low | 27 | Very low | 157 Ų | 157 | 146 Ų | 146 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 147.7 | 138.1 | -69.7 | 167.4 | 0 | 0 | 0 | 119.9 | ||||
| 455 | T | 25.7 | Very low | 27 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | cis | -172.4 | 145.9 | -32.7 | -68.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 456 | E | 24.5 | Very low | 27.3 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | 166.5 | 171 | 129.5 | -87.7 | -168.8 | 160.4 | 0 | 0 | 113.7 | |||||
| 457 | M | 27.1 | Very low | 28 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -128.7 | 178.4 | -161.6 | -96.4 | -163.7 | 82.9 | 0 | 0 | 109.9 | Q459 | M457-Q459 HydrophobicContact CE-CB 4.34Š| ||
| 458 | P | 37.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | cis | -144.2 | -157.2 | 31.1 | 44.5 | -22.4 | 0 | 0 | 0 | 117.1 | ||||
| 459 | Q | 27.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | trans | -133.3 | 137.2 | -165.5 | 160.3 | -164.2 | -13.9 | 0 | 0 | 109.2 | M457 | M457-Q459 HydrophobicContact CE-CB 4.34Š| ||
| 460 | E | 29.6 | Very low | 28.8 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -179.5 | 150.5 | 160.2 | -106.7 | 163.1 | -149.7 | 0 | 0 | 107 | ||||
| 461 | D | 26.5 | Very low | 28.9 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | cis | -150 | 171.3 | -8 | -155 | -4.4 | 0 | 0 | 0 | 110.1 | ||||
| 462 | G | 26.7 | Very low | 28.7 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | -110.8 | 156.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 463 | V | 27.8 | Very low | 28 | Very low | 156 Ų | 156 | 137.6 Ų | 137.6 | 95% | 0.945 | 79% | 0.794 | S | S | * | * | trans | -137.6 | 131.6 | 165.9 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 464 | E | 28 | Very low | 28.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 163.4 | 178.4 | -178.3 | 178.4 | -140.2 | 0 | 0 | 109.5 | ||||
| 465 | L | 27.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | 129.9 | 153.6 | 162.8 | -73.1 | 162.3 | 0 | 0 | 0 | 112.3 | ||||
| 466 | P | 32.4 | Very low | 27.7 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | cis | -133.3 | 165.7 | -31.5 | 37.7 | -23.1 | 0 | 0 | 0 | 113.7 | ||||
| 467 | P | 38.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | trans | -96.8 | 137.4 | 174.8 | 35.6 | -32.1 | 0 | 0 | 0 | 114 | ||||
| 468 | A | 25.1 | Very low | 27.8 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -166.4 | 158.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 469 | P | 29 | Very low | 27.2 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | -125.3 | 166.3 | -32.9 | 38.2 | -25.3 | 0 | 0 | 0 | 112.3 | ||||
| 470 | V | 29.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 131.6 | 171.7 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 471 | L | 24.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -130.6 | 152.1 | 160.8 | -85.1 | 172 | 0 | 0 | 0 | 109.7 | ||||
| 472 | P | 24.5 | Very low | 26.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 134 | -156.2 | 32.6 | -35.7 | 0 | 0 | 0 | 114.5 | L474 | P472-L474 PolarHBondContact O-N 3.07Š|
| 473 | T | 23.6 | Very low | 26.7 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 120.7 | 165.5 | -35.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 474 | L | 24.9 | Very low | 26.6 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 152.2 | 167.5 | -80.2 | 161 | 0 | 0 | 0 | 110.4 | P472 A476 | P472-L474 PolarHBondContact O-N 3.07Å; L474-A476 PolarHBondContact O-N 2.83Å |
| 475 | P | 23.6 | Very low | 26.5 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.9 | -178.6 | 27.2 | -34.1 | 0 | 0 | 0 | 110.7 | T477 | P475-T477 PolarHBondContact O-N 3.06Š|
| 476 | A | 24 | Very low | 26.7 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66 | 116.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L474 | L474-A476 PolarHBondContact O-N 2.83Š|
| 477 | T | 24.5 | Very low | 26.7 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137 | 168.9 | 41.1 | 0 | 0 | 0 | 0 | 109.9 | P475 H479 | P475-T477 PolarHBondContact O-N 3.06Å; T477-H479 PolarHBondContact O-CD2 2.85Å; T477-H479 PolarHBondContact O-N 2.95Å; T477-H479 VanDerWaalsContact O-N 3.08Å |
| 478 | G | 28.3 | Very low | 26.3 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -59.3 | 114.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 479 | H | 24.7 | Very low | 26.6 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -91.6 | 108.2 | 166.6 | -79.5 | -87.1 | 0 | 0 | 0 | 108.1 | T477 V481 | T477-H479 PolarHBondContact O-CD2 2.85Å; T477-H479 PolarHBondContact O-N 2.95Å; T477-H479 VanDerWaalsContact O-N 3.08Å; H479-V481 PolarHBondContact O-N 3.36Å; H479-V481 VanDerWaalsContact O-N 3.12Å | ||
| 480 | D | 25.3 | Very low | 26.7 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -56.5 | 115 | 159.1 | -73.1 | -49.9 | 0 | 0 | 0 | 107.8 | P482 | D480-P482 WeakPolarHBondContact O-CD 3.45Š| ||
| 481 | V | 25.4 | Very low | 26.8 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -78.6 | 115.5 | 173.7 | -176.8 | 0 | 0 | 0 | 0 | 106.9 | H479 | H479-V481 PolarHBondContact O-N 3.36Å; H479-V481 VanDerWaalsContact O-N 3.12Å | ||
| 482 | P | 24.6 | Very low | 27 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 147.3 | -178.3 | 28.4 | -34.7 | 0 | 0 | 0 | 110.7 | D480 M484 | D480-P482 WeakPolarHBondContact O-CD 3.45Å; P482-M484 PolarHBondContact O-N 2.87Å; P482-M484 VanDerWaalsContact O-N 3.16Å | ||
| 483 | F | 25.7 | Very low | 27.2 | Very low | 180 Ų | 180 | 127.2 Ų | 127.2 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | -45 | 118.9 | 175.6 | -67.8 | -97 | 0 | 0 | 0 | 111.7 | N485 | F483-N485 VanDerWaalsContact C-N 3.31Å; F483-N485 PolarHBondContact O-N 2.88Å | ||
| 484 | M | 24 | Very low | 27.5 | Very low | 174 Ų | 174 | 125 Ų | 125 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -76 | 88.2 | 168.8 | -64.4 | -159.7 | 84.1 | 0 | 0 | 109 | P482 V486 | P482-M484 PolarHBondContact O-N 2.87Å; P482-M484 VanDerWaalsContact O-N 3.16Å; M484-V486 PolarHBondContact O-N 2.83Å | ||
| 485 | N | 26.9 | Very low | 27.6 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 92.7 | 174.2 | -68 | -33.5 | 0 | 0 | 0 | 110.3 | F483 L488 | F483-N485 VanDerWaalsContact C-N 3.31Å; F483-N485 PolarHBondContact O-N 2.88Å; N485-L488 HydrophobicContact CB-CD1 4.21Å | ||
| 486 | V | 31.8 | Very low | 27.8 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -107.6 | 75.8 | 159 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | M484 | M484-V486 PolarHBondContact O-N 2.83Š| ||
| 487 | D | 31.9 | Very low | 27.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 165.5 | 82.1 | 160 | -92.2 | -11.4 | 0 | 0 | 0 | 108.1 | ||||
| 488 | L | 30.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -140.7 | 26.2 | 179.9 | -120 | 178.4 | 0 | 0 | 0 | 116.2 | N485 | N485-L488 HydrophobicContact CB-CD1 4.21Š| ||
| 489 | E | 31.1 | Very low | 28 | Very low | 210 Ų | 210 | 135 Ų | 135 | 98% | 0.981 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -117.3 | 77.7 | 158.4 | -68.7 | -150.8 | 133.6 | 0 | 0 | 110.2 | ||
| 490 | G | 32.3 | Very low | 28 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -167.7 | -7.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 491 | A | 30.2 | Very low | 27.9 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -140.2 | 4.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 492 | G | 30 | Very low | 27.8 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -85.2 | -18 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | A494 | G492-A494 PolarHBondContact O-N 2.82Š|
| 493 | A | 28.8 | Very low | 27.7 | Very low | 106 Ų | 106 | 135 Ų | 135 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -97.2 | 15.4 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 494 | A | 28.9 | Very low | 27.5 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -112.7 | 2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G492 | G492-A494 PolarHBondContact O-N 2.82Š|
| 495 | R | 27.5 | Very low | 27.4 | Very low | 242 Ų | 242 | 130 Ų | 130 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -136.4 | 4.2 | -173.6 | -78.2 | -165.6 | 170.3 | -176.6 | -1.3 | 118.4 | ||
| 496 | S | 27.6 | Very low | 27.2 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -130.3 | 46.5 | -173.2 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 497 | A | 26.5 | Very low | 26.8 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -143.4 | 45.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 498 | Q | 29.4 | Very low | 26.4 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 96% | 0.963 | 83% | 0.827 | S | S | * | * | trans | -126.3 | 55.8 | 167.2 | -80.1 | -160.6 | -14.8 | 0 | 0 | 112.4 | ||||
| 499 | A | 24.5 | Very low | 26 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -152.9 | 145.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 500 | A | 25 | Very low | 25.6 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | 47.7 | 105.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 501 | G | 23.5 | Very low | 25.3 | Very low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -102.4 | 138.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 502 | R | 24 | Very low | 24.9 | Very low | 260 Ų | 260 | 135.9 Ų | 135.9 | 98% | 0.981 | 83% | 0.828 | S | S | * | * | trans | -163.3 | 157.1 | 151.9 | -111 | 170.6 | -172.7 | -164.5 | 0.1 | 110.8 | ||||
| 503 | S | 21 | Very low | 24.7 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | -90.4 | 148.2 | -173.6 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 504 | L | 22.4 | Very low | 24.5 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | -165.7 | 173.8 | 121.8 | -102 | 164.5 | 0 | 0 | 0 | 111.4 | |||||
| 505 | S | 21.3 | Very low | 24.4 | Very low | 82 Ų | 82 | 145 Ų | 145 | 57% | 0.573 | 84% | 0.835 | S | S | * | * | trans | -116.1 | 173.6 | -158.2 | 60 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 506 | D | 22.4 | Very low | 24.2 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | trans | 68.8 | 114.7 | 157.8 | -53.1 | -56.4 | 0 | 0 | 0 | 119.9 | ||||
| 507 | V | 24.2 | Very low | 23.9 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | -175.2 | 157.6 | 108.4 | 149.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 508 | L | 23.2 | Very low | 24.1 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | trans | -53.9 | 157.3 | -178 | -70.5 | 61.6 | 0 | 0 | 0 | 114.3 | ||||
| 509 | G | 22.1 | Very low | 24 | Very low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | cis | 156.3 | -159.3 | -1.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 510 | T | 23.7 | Very low | 24.5 | Very low | 142 Ų | 142 | 140 Ų | 140 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | 75.8 | 127.1 | 173 | 48.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 511 | L | 24.3 | Very low | 25.6 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 60.8 | 95.9 | 162.2 | -88.2 | 72 | 0 | 0 | 0 | 120 | ||||
| 512 | E | 23.1 | Very low | 27.2 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -117.5 | 141.1 | 143 | -69.7 | -176.3 | 136 | 0 | 0 | 108.7 | ||||
| 513 | N | 24.6 | Very low | 29.3 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -80.3 | 121.4 | 172.1 | -87.1 | -6.9 | 0 | 0 | 0 | 109.7 | Q515 | N513-Q515 PolarHBondContact O-N 3.39Å; N513-Q515 VanDerWaalsContact O-N 3.14Å | ||
| 514 | S | 25.4 | Very low | 32.2 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 107.8 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 111 | G516 | S514-G516 PolarHBondContact O-N 3.15Š| ||
| 515 | Q | 25.9 | Very low | 35.2 | Very low | 193 Ų | 193 | 116 Ų | 116 | 90% | 0.902 | 67% | 0.674 | S | S | * | * | trans | -63.4 | 124.6 | 167.9 | -74.6 | -177.5 | -34.1 | 0 | 0 | 110 | N513 | N513-Q515 PolarHBondContact O-N 3.39Å; N513-Q515 VanDerWaalsContact O-N 3.14Å | ||
| 516 | G | 23.2 | Very low | 38.2 | Very low | 73 Ų | 73 | 113.1 Ų | 113.1 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | trans | -71.4 | 152.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S514 G518 | S514-G516 PolarHBondContact O-N 3.15Å; G516-G518 PolarHBondContact O-N 2.8Å | ||
| 517 | I | 23.3 | Very low | 41.4 | Very low | 177 Ų | 177 | 107.1 Ų | 107.1 | 91% | 0.908 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -79.2 | 109.2 | 178.4 | -66 | 168.6 | 0 | 0 | 0 | 109.4 | ||
| 518 | G | 30.7 | Very low | 44.6 | Very low | 72 Ų | 72 | 100.6 Ų | 100.6 | 74% | 0.742 | 58% | 0.583 | S | S | * | * | trans | 45.6 | 78.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | G516 | G516-G518 PolarHBondContact O-N 2.8Š| ||
| 519 | E | 26.9 | Very low | 47.9 | Very low | 195 Ų | 195 | 92.6 Ų | 92.6 | 91% | 0.911 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 155.5 | 155.7 | -63.9 | -170.9 | 126.1 | 0 | 0 | 110.3 | D521 | E519-D521 PolarHBondContact O-N 2.63Š|
| 520 | E | 35.3 | Very low | 50.9 | Low | 145 Ų | 145 | 89.6 Ų | 89.6 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 117.7 | -179.7 | -66.3 | -170.7 | 136.9 | 0 | 0 | 111.7 | G522 | E520-G522 PolarHBondContact O-N 2.76Å; E520-G522 VanDerWaalsContact O-N 3.16Å |
| 521 | D | 47 | Very low | 53.6 | Low | 141 Ų | 141 | 83 Ų | 83 | 75% | 0.754 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 116.1 | 174.5 | -107.1 | -10.4 | 0 | 0 | 0 | 111.7 | E519 | E519-D521 PolarHBondContact O-N 2.63Š|
| 522 | G | 58.2 | Low | 56.1 | Low | 25 Ų | 25 | 75.8 Ų | 75.8 | 26% | 0.258 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 171 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E520 V524 | E520-G522 PolarHBondContact O-N 2.76Å; E520-G522 VanDerWaalsContact O-N 3.16Å; G522-V524 PolarHBondContact O-N 2.85Å |
| 523 | P | 68.1 | Low | 59 | Low | 18 Ų | 18 | 66.4 Ų | 66.4 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 134.8 | 162.8 | 26.9 | -34.7 | 0 | 0 | 0 | 110.6 | D10 Y16 W376 W525 | D10-P523 HydrophobicContact CB-CB 4.27Å; Y16-P523 HydrophobicContact CE2-CB 4.22Å; W376-P523 HydrophobicContact CE3-CG 4.16Å; W376-P523 HydrophobicContact CH2-CG 3.48Å; W376-P523 VanDerWaalsContact CH2-CG 3.48Å; W376-P523 HydrophobicContact CZ2-CG 4.25Å; W376-P523 VanDerWaalsContact CZ3-CD 3.42Å; W376-P523 HydrophobicContact CZ3-CG 3.37Å; P523-W525 HydrophobicContact CB-CH2 4.26Å; P523-W525 HydrophobicContact CB-CZ2 4.26Å; P523-W525 HydrophobicContact CG-CH2 3.83Å; P523-W525 HydrophobicContact CG-CZ2 3.56Å; P523-W525 PolarHBondContact O-NE1 3.3Å |
| 524 | V | 80.7 | Confident | 61.6 | Low | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | trans | -96.6 | 111.8 | -175 | 168.5 | 0 | 0 | 0 | 0 | 108.5 | D10 V11 R351 G522 P1101 M1102 | D10-V524 CarbonylContact C-O 3.52Å; D10-V524 VanDerWaalsContact CA-O 3.31Å; D10-V524 WeakPolarHBondContact CA-O 3.48Å; D10-V524 VanDerWaalsContact CB-O 3.3Å; D10-V524 WeakPolarHBondContact CB-O 2.93Å; V11-V524 HydrophobicContact CG1-CG1 4.05Å; V11-V524 HydrophobicContact CG2-CB 4.26Å; V11-V524 HydrophobicContact CG2-CG1 4.11Å; V11-V524 PolarHBondContact N-O 2.7Å; R351-V524 HydrophobicContact CB-CG1 3.67Å; R351-V524 HydrophobicContact CG-CG1 4.05Å; G522-V524 PolarHBondContact O-N 2.85Å; V524-P1101 HydrophobicContact CB-CB 4.1Å; V524-P1101 HydrophobicContact CB-CG 4.29Å; V524-P1101 HydrophobicContact CG1-CB 3.98Å; V524-P1101 HydrophobicContact CG2-CB 4.27Å; V524-P1101 HydrophobicContact CG2-CG 3.96Å; V524-M1102 HydrophobicContact CB-SD 4.29Å; V524-M1102 HydrophobicContact CG1-CG 4.41Å; V524-M1102 HydrophobicContact CG1-SD 3.5Å; V524-M1102 WeakPolarHBondContact CG1-SD 3.43Å; V524-M1102 HydrophobicContact CG2-CG 3.84Å; V524-M1102 HydrophobicContact CG2-SD 3.78Å | ||
| 525 | W | 85.1 | Confident | 63.9 | Low | 14 Ų | 14 | 56.3 Ų | 56.3 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 152.1 | -163.3 | -57.6 | 107 | 0 | 0 | 0 | 113.9 | A8 D10 Y16 W25 V347 R351 L353 W376 P523 | A8-W525 HydrophobicContact CB-CD2 4.32Å; A8-W525 HydrophobicContact CB-CE3 3.58Å; A8-W525 HydrophobicContact CB-CH2 3.96Å; A8-W525 HydrophobicContact CB-CZ3 3.38Å; D10-W525 HydrophobicContact CB-CE3 4.4Å; Y16-W525 AromaticContact CD2-CH2 3.95Å; Y16-W525 HydrophobicContact CD2-CH2 3.95Å; Y16-W525 AromaticContact CD2-CZ3 3.7Å; Y16-W525 HydrophobicContact CD2-CZ3 3.7Å; Y16-W525 HydrophobicContact CE2-CZ3 4.45Å; Y16-W525 AromaticContact CG-CH2 3.91Å; Y16-W525 HydrophobicContact CG-CH2 3.91Å; Y16-W525 HydrophobicContact CG-CZ3 4.08Å; W25-W525 AromaticContact CD2-CH2 3.94Å; W25-W525 HydrophobicContact CD2-CH2 3.94Å; W25-W525 HydrophobicContact CD2-CZ2 4.03Å; W25-W525 AromaticContact CE2-CZ2 3.74Å; W25-W525 AromaticContact CE3-CH2 3.97Å; W25-W525 HydrophobicContact CE3-CH2 3.97Å; W25-W525 HydrophobicContact CE3-CZ2 4.47Å; W25-W525 HydrophobicContact CH2-CH2 4.28Å; W25-W525 HydrophobicContact CH2-CZ2 4.39Å; W25-W525 HydrophobicContact CZ2-CH2 4.25Å; W25-W525 AromaticContact CZ2-CZ2 3.95Å; W25-W525 HydrophobicContact CZ2-CZ2 3.95Å; W25-W525 HydrophobicContact CZ3-CH2 4.14Å; V347-W525 HydrophobicContact CG1-CB 4.03Å; V347-W525 HydrophobicContact CG2-CB 4.25Å; R351-W525 WeakPolarHBondContact O-CB 3.33Å; R351-W525 PolarHBondContact O-N 3.05Å; R351-W525 VanDerWaalsContact O-N 3.13Å; L353-W525 HydrophobicContact CB-CG 4.32Å; W376-W525 HydrophobicContact CH2-CZ2 4.29Å; W376-W525 HydrophobicContact CZ3-CZ2 4.4Å; P523-W525 HydrophobicContact CB-CH2 4.26Å; P523-W525 HydrophobicContact CB-CZ2 4.26Å; P523-W525 HydrophobicContact CG-CH2 3.83Å; P523-W525 HydrophobicContact CG-CZ2 3.56Å; P523-W525 PolarHBondContact O-NE1 3.3Å |
| 526 | A | 85.4 | Confident | 65.9 | Low | 22 Ų | 22 | 50.4 Ų | 50.4 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | -24.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V9 V11 | V9-A526 PolarHBondContact O-N 3.37Å; V11-A526 HydrophobicContact CG1-CB 3.99Å |
| 527 | W | 88.9 | Confident | 67.3 | Low | 17 Ų | 17 | 50 Ų | 50 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 149.3 | -179.4 | -162.6 | -89.1 | 0 | 0 | 0 | 111.7 | A8 V9 R37 V38 H293 M335 | A8-W527 WeakPolarHBondContact CA-O 3.42Å; V9-W527 HydrophobicContact CB-CB 4.16Å; V9-W527 PolarHBondContact N-O 3.22Å; V9-W527 PolarHBondContact O-N 2.97Å; R37-W527 HydrophobicContact CB-CD2 3.8Å; R37-W527 HydrophobicContact CB-CE3 4.19Å; R37-W527 HydrophobicContact CB-CG 4.19Å; R37-W527 HydrophobicContact CB-CH2 4.42Å; R37-W527 HydrophobicContact CB-CZ2 4.06Å; R37-W527 HydrophobicContact CB-CZ3 4.48Å; V38-W527 PolarHBondContact O-NE1 2.83Å; H293-W527 AromaticContact CE1-CH2 2.8Å; H293-W527 WeakPolarHBondContact CE1-CH2 3.33Å; H293-W527 AromaticContact CE1-CZ2 3.33Å; H293-W527 WeakPolarHBondContact CE1-CZ2 3.47Å; H293-W527 AromaticContact CE1-CZ3 3.68Å; M335-W527 HydrophobicContact CE-CD2 3.77Å; M335-W527 HydrophobicContact CE-CE3 3.94Å; M335-W527 HydrophobicContact CE-CG 4.28Å; M335-W527 HydrophobicContact CE-CH2 4.23Å; M335-W527 HydrophobicContact CE-CZ2 4.05Å; M335-W527 HydrophobicContact CE-CZ3 4.16Å; M335-W527 HydrophobicContact CG-CE3 4.32Å |
| 528 | V | 92.8 | Very high | 68.6 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.2 | 169 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | L6 W7 M335 D337 W345 V347 L353 | L6-V528 HydrophobicContact CD1-CG2 3.66Å; L6-V528 HydrophobicContact CG-CG2 4.14Å; W7-V528 CarbonylContact O-C 3.59Å; W7-V528 WeakPolarHBondContact O-CA 3.2Å; W7-V528 WeakPolarHBondContact O-CG2 3.5Å; M335-V528 HydrophobicContact CE-CG1 4.48Å; M335-V528 HydrophobicContact SD-CG1 3.83Å; D337-V528 HydrophobicContact CB-CG1 4.33Å; W345-V528 HydrophobicContact CB-CG1 3.84Å; W345-V528 HydrophobicContact CB-CG2 4.12Å; V347-V528 HydrophobicContact CG2-CG1 4.23Å; L353-V528 HydrophobicContact CD1-CB 3.63Å; L353-V528 HydrophobicContact CD1-CG1 3.89Å; L353-V528 HydrophobicContact CD1-CG2 3.83Å |
| 529 | S | 91.7 | Very high | 69.9 | Low | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 125.7 | 160.1 | -167 | 0 | 0 | 0 | 0 | 112.2 | W7 V38 A40 D337 | W7-S529 PolarHBondContact N-O 3.46Å; W7-S529 VanDerWaalsContact N-O 3.09Å; W7-S529 PolarHBondContact O-N 2.86Å; V38-S529 WeakPolarHBondContact O-CB 3.19Å; A40-S529 PolarHBondContact N-OG 3.17Å; D337-S529 PolarHBondContact OD1-OG 2.88Å; D337-S529 VanDerWaalsContact OD1-OG 3.08Å; D337-S529 WeakPolarHBondContact OD2-CA 3.47Å; D337-S529 PolarHBondContact OD2-OG 2.93Å |
| 530 | G | 84.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -110.3 | 3.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D337 G339 G532 C533 | D337-G530 PolarHBondContact OD2-N 3.09Å; G339-G530 VanDerWaalsContact CA-O 3.3Å; G339-G530 WeakPolarHBondContact CA-O 3.49Å; G530-G532 PolarHBondContact O-N 3.4Å; G530-G532 VanDerWaalsContact O-N 3.09Å; G530-C533 WeakPolarHBondContact O-CA 3.35Å; G530-C533 WeakPolarHBondContact O-CB 3.18Å; G530-C533 PolarHBondContact O-N 2.88Å | ||
| 531 | G | 80.5 | Confident | 72.7 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A40 W197 | A40-G531 CarbonylContact O-C 3.58Å; A40-G531 WeakPolarHBondContact O-CA 3.29Å; W197-G531 VanDerWaalsContact CZ2-O 3.25Å; W197-G531 WeakPolarHBondContact CZ2-O 3.21Å |
| 532 | G | 76.8 | Confident | 73.3 | Confident | 8 Ų | 8 | 37 Ų | 37 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L5 A40 G41 G530 | L5-G532 CarbonylContact O-C 3.58Å; A40-G532 PolarHBondContact O-N 3.4Å; G41-G532 VanDerWaalsContact O-CA 3.29Å; G41-G532 WeakPolarHBondContact O-CA 3.43Å; G530-G532 PolarHBondContact O-N 3.4Å; G530-G532 VanDerWaalsContact O-N 3.09Å |
| 533 | C | 83.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -104.3 | 102.5 | -172.6 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | L6 G530 V535 | L6-C533 HydrophobicContact CB-CB 4.29Å; L6-C533 HydrophobicContact CD1-CB 4.31Å; G530-C533 WeakPolarHBondContact O-CA 3.35Å; G530-C533 WeakPolarHBondContact O-CB 3.18Å; G530-C533 PolarHBondContact O-N 2.88Å; C533-V535 PolarHBondContact O-N 3.26Å | ||
| 534 | D | 80 | Confident | 73.8 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | trans | -80.4 | 109.8 | 174.8 | -168.6 | 8.8 | 0 | 0 | 0 | 110.1 | T4 L340 N341 | T4-D534 HydrophobicContact CG2-CB 3.78Å; T4-D534 PolarHBondContact OG1-N 3.42Å; L340-D534 HydrophobicContact CD1-CB 3.86Å; N341-D534 PolarHBondContact ND2-OD1 2.77Å | ||
| 535 | V | 74.3 | Confident | 72.4 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | trans | -127.5 | 120.2 | 173.5 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | T20 N341 Q343 W345 F355 C533 I541 L544 | T20-V535 HydrophobicContact CG2-CG2 4.38Å; N341-V535 PolarHBondContact ND2-O 2.76Å; Q343-V535 WeakPolarHBondContact CG-O 3.42Å; W345-V535 HydrophobicContact CH2-CG2 4.41Å; W345-V535 HydrophobicContact CZ2-CG2 3.97Å; F355-V535 HydrophobicContact CZ-CG1 4.19Å; C533-V535 PolarHBondContact O-N 3.26Å; V535-I541 HydrophobicContact CB-CD1 4.18Å; V535-I541 HydrophobicContact CG1-CD1 3.72Å; V535-I541 HydrophobicContact CG2-CD1 3.6Å; V535-L544 HydrophobicContact CG1-CD1 4.36Å | ||
| 536 | D | 65.9 | Low | 70.2 | Confident | 68 Ų | 68 | 43.8 Ų | 43.8 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -97.1 | 147.3 | 169.6 | 164.5 | 55.1 | 0 | 0 | 0 | 110.2 | S538 S539 | D536-S538 PolarHBondContact O-N 3.4Å; D536-S538 VanDerWaalsContact O-N 3.1Å; D536-S538 VanDerWaalsContact OD2-CB 3.23Å; D536-S538 WeakPolarHBondContact OD2-CB 3.24Å; D536-S538 PolarHBondContact OD2-N 3.21Å; D536-S538 PolarHBondContact OD2-OG 2.95Å; D536-S539 WeakPolarHBondContact O-CB 3.5Å; D536-S539 PolarHBondContact O-N 2.9Å; D536-S539 PolarHBondContact O-OG 3.41Å; D536-S539 VanDerWaalsContact O-OG 3.13Å | ||
| 537 | A | 54 | Low | 67.7 | Low | 66 Ų | 66 | 48.3 Ų | 48.3 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T360 | T360-A537 HydrophobicContact CG2-CB 4.23Š|
| 538 | S | 51 | Low | 64.9 | Low | 99 Ų | 99 | 50.5 Ų | 50.5 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -7.2 | 171.4 | 82.1 | 0 | 0 | 0 | 0 | 114.2 | D536 R540 | D536-S538 PolarHBondContact O-N 3.4Å; D536-S538 VanDerWaalsContact O-N 3.1Å; D536-S538 VanDerWaalsContact OD2-CB 3.23Å; D536-S538 WeakPolarHBondContact OD2-CB 3.24Å; D536-S538 PolarHBondContact OD2-N 3.21Å; D536-S538 PolarHBondContact OD2-OG 2.95Å; S538-R540 PolarHBondContact O-N 3.04Å |
| 539 | S | 56.8 | Low | 61.8 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | trans | -78.1 | 117.9 | -170.1 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | D536 I541 | D536-S539 WeakPolarHBondContact O-CB 3.5Å; D536-S539 PolarHBondContact O-N 2.9Å; D536-S539 PolarHBondContact O-OG 3.41Å; D536-S539 VanDerWaalsContact O-OG 3.13Å; S539-I541 PolarHBondContact O-N 2.78Å | ||
| 540 | R | 55.3 | Low | 58.8 | Low | 252 Ų | 252 | 64.3 Ų | 64.3 | 95% | 0.951 | 39% | 0.39 | S | S | * | . | trans | -76.9 | 68.7 | 174.9 | -67.5 | -171.6 | 177.5 | -166 | -0.8 | 112.1 | S538 S542 | S538-R540 PolarHBondContact O-N 3.04Å; R540-S542 PolarHBondContact O-N 3.14Å | ||
| 541 | I | 66.3 | Low | 55.9 | Low | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.087 | 43% | 0.43 | C | S | . | . | trans | -73.6 | 117.3 | 173.9 | -63.2 | -174.3 | 0 | 0 | 0 | 109.3 | T20 V535 S539 W543 L544 S545 | T20-I541 HydrophobicContact CG2-CD1 4.35Å; V535-I541 HydrophobicContact CB-CD1 4.18Å; V535-I541 HydrophobicContact CG1-CD1 3.72Å; V535-I541 HydrophobicContact CG2-CD1 3.6Å; S539-I541 PolarHBondContact O-N 2.78Å; I541-W543 HydrophobicContact CG2-CD2 3.38Å; I541-W543 HydrophobicContact CG2-CE3 3.89Å; I541-W543 HydrophobicContact CG2-CG 3.77Å; I541-W543 HydrophobicContact CG2-CH2 4.22Å; I541-W543 HydrophobicContact CG2-CZ2 3.74Å; I541-W543 HydrophobicContact CG2-CZ3 4.28Å; I541-W543 PolarHBondContact O-N 2.92Å; I541-W543 VanDerWaalsContact O-N 3.17Å; I541-L544 HydrophobicContact CB-CB 4.39Å; I541-L544 HydrophobicContact CB-CD1 4.12Å; I541-L544 HydrophobicContact CB-CG 4.26Å; I541-L544 HydrophobicContact CD1-CD1 4.35Å; I541-L544 HydrophobicContact CG2-CB 4.49Å; I541-L544 HydrophobicContact CG2-CD1 4.27Å; I541-L544 HydrophobicContact CG2-CG 4.06Å; I541-L544 PolarHBondContact O-N 3.01Å; I541-S545 PolarHBondContact O-N 2.9Å | ||
| 542 | S | 59.5 | Low | 53.4 | Low | 58 Ų | 58 | 75 Ų | 75 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.4 | -172.3 | 54.5 | 0 | 0 | 0 | 0 | 116.3 | Q23 R540 S545 | Q23-S542 WeakPolarHBondContact CG-OG 3.14Å; Q23-S542 PolarHBondContact NE2-OG 3.18Å; R540-S542 PolarHBondContact O-N 3.14Å; S542-S545 PolarHBondContact O-OG 2.86Å; S542-S545 VanDerWaalsContact O-OG 3.08Å |
| 543 | W | 75.6 | Confident | 50.9 | Low | 6 Ų | 6 | 79.9 Ų | 79.9 | 2% | 0.023 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.9 | 170.8 | 48.6 | -103.7 | 0 | 0 | 0 | 113.8 | L6 L18 S19 T20 G22 W345 V372 S373 A374 I541 | L6-W543 HydrophobicContact CD2-CH2 4.23Å; L18-W543 HydrophobicContact CD2-CD2 3.63Å; L18-W543 HydrophobicContact CD2-CE3 3.93Å; L18-W543 HydrophobicContact CD2-CG 4.11Å; L18-W543 HydrophobicContact CD2-CH2 4.07Å; L18-W543 HydrophobicContact CD2-CZ2 3.78Å; L18-W543 HydrophobicContact CD2-CZ3 4.13Å; L18-W543 HydrophobicContact CG-CD2 4.34Å; L18-W543 HydrophobicContact CG-CZ2 3.95Å; S19-W543 PolarHBondContact O-NE1 3.41Å; T20-W543 HydrophobicContact CG2-CZ2 4.43Å; G22-W543 PolarHBondContact O-NE1 3.38Å; W345-W543 AromaticContact CH2-CH2 3.62Å; W345-W543 HydrophobicContact CH2-CH2 3.62Å; W345-W543 AromaticContact CH2-CZ3 3.62Å; W345-W543 HydrophobicContact CH2-CZ3 3.62Å; W345-W543 HydrophobicContact CZ3-CH2 4.13Å; W345-W543 AromaticContact CZ3-CZ3 3.77Å; W345-W543 HydrophobicContact CZ3-CZ3 3.77Å; V372-W543 HydrophobicContact CG1-CE3 3.72Å; V372-W543 HydrophobicContact CG1-CZ3 3.93Å; S373-W543 PolarHBondContact N-O 2.81Å; S373-W543 WeakPolarHBondContact O-CA 3.39Å; S373-W543 WeakPolarHBondContact O-CB 3.48Å; A374-W543 HydrophobicContact CB-CB 4.04Å; A374-W543 HydrophobicContact CB-CG 4.44Å; I541-W543 HydrophobicContact CG2-CD2 3.38Å; I541-W543 HydrophobicContact CG2-CE3 3.89Å; I541-W543 HydrophobicContact CG2-CG 3.77Å; I541-W543 HydrophobicContact CG2-CH2 4.22Å; I541-W543 HydrophobicContact CG2-CZ2 3.74Å; I541-W543 HydrophobicContact CG2-CZ3 4.28Å; I541-W543 PolarHBondContact O-N 2.92Å; I541-W543 VanDerWaalsContact O-N 3.17Å |
| 544 | L | 61.4 | Low | 48.1 | Very low | 27 Ų | 27 | 88.2 Ų | 88.2 | 14% | 0.141 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -110.2 | -2.1 | 168.3 | -63.8 | 179.7 | 0 | 0 | 0 | 112.6 | F355 I370 V372 V535 I541 S546 | F355-L544 HydrophobicContact CB-CD2 3.85Å; F355-L544 HydrophobicContact CD1-CD1 3.94Å; F355-L544 HydrophobicContact CD1-CD2 3.88Å; F355-L544 HydrophobicContact CE1-CD1 3.87Å; F355-L544 HydrophobicContact CG-CD1 4.31Å; F355-L544 HydrophobicContact CG-CD2 3.9Å; F355-L544 HydrophobicContact CZ-CD1 4.19Å; I370-L544 HydrophobicContact CD1-CB 4.05Å; I370-L544 HydrophobicContact CD1-CD2 3.96Å; I370-L544 WeakPolarHBondContact CD1-O 3.42Å; V372-L544 HydrophobicContact CG2-CD2 4.38Å; V535-L544 HydrophobicContact CG1-CD1 4.36Å; I541-L544 HydrophobicContact CB-CB 4.39Å; I541-L544 HydrophobicContact CB-CD1 4.12Å; I541-L544 HydrophobicContact CB-CG 4.26Å; I541-L544 HydrophobicContact CD1-CD1 4.35Å; I541-L544 HydrophobicContact CG2-CB 4.49Å; I541-L544 HydrophobicContact CG2-CD1 4.27Å; I541-L544 HydrophobicContact CG2-CG 4.06Å; I541-L544 PolarHBondContact O-N 3.01Å; L544-S546 PolarHBondContact O-N 3.45Å |
| 545 | S | 50.7 | Low | 45.5 | Very low | 63 Ų | 63 | 91 Ų | 91 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | trans | -84.8 | 110.9 | -176 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | I541 S542 T547 | I541-S545 PolarHBondContact O-N 2.9Å; S542-S545 PolarHBondContact O-OG 2.86Å; S542-S545 VanDerWaalsContact O-OG 3.08Å; S545-T547 VanDerWaalsContact C-N 3.31Å; S545-T547 PolarHBondContact O-N 3.07Å | ||
| 546 | S | 40.3 | Very low | 43 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 85% | 0.846 | 60% | 0.601 | S | S | * | * | trans | -70.1 | 80.7 | 171.5 | 177.4 | 0 | 0 | 0 | 0 | 112 | L544 | L544-S546 PolarHBondContact O-N 3.45Š| ||
| 547 | T | 32.9 | Very low | 41.1 | Very low | 116 Ų | 116 | 100.7 Ų | 100.7 | 71% | 0.712 | 62% | 0.621 | S | S | * | * | trans | -128.9 | 53.7 | 174.1 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | S545 | S545-T547 VanDerWaalsContact C-N 3.31Å; S545-T547 PolarHBondContact O-N 3.07Å | ||
| 548 | G | 28.6 | Very low | 40 | Very low | 63 Ų | 63 | 103.4 Ų | 103.4 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | trans | -70.7 | 130.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L550 | G548-L550 PolarHBondContact O-N 2.84Š| ||
| 549 | P | 28.9 | Very low | 38.8 | Very low | 126 Ų | 126 | 105.1 Ų | 105.1 | 82% | 0.818 | 64% | 0.639 | S | S | * | * | trans | -65.2 | 124.3 | 178.9 | -22.5 | 34 | 0 | 0 | 0 | 112.2 | S551 | P549-S551 PolarHBondContact O-N 2.91Š| ||
| 550 | L | 28.1 | Very low | 37.3 | Very low | 166 Ų | 166 | 112.4 Ų | 112.4 | 87% | 0.869 | 67% | 0.67 | S | S | * | * | trans | -67.7 | 94.3 | 167.1 | -71.8 | 171.4 | 0 | 0 | 0 | 109.3 | G548 S552 | G548-L550 PolarHBondContact O-N 2.84Å; L550-S552 PolarHBondContact O-N 3.48Å | ||
| 551 | S | 24.5 | Very low | 35.8 | Very low | 119 Ų | 119 | 105.4 Ų | 105.4 | 83% | 0.832 | 66% | 0.66 | S | S | * | * | trans | -77.6 | 69.5 | 177.8 | -163.3 | 0 | 0 | 0 | 0 | 111.4 | P549 | P549-S551 PolarHBondContact O-N 2.91Š| ||
| 552 | S | 26.3 | Very low | 33.8 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -102.5 | 79.5 | 179.2 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | L550 | L550-S552 PolarHBondContact O-N 3.48Š| ||
| 553 | S | 25.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 110.3 Ų | 110.3 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | trans | -151.6 | 111.9 | 163 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 554 | L | 24 | Very low | 29.8 | Very low | 175 Ų | 175 | 121.5 Ų | 121.5 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -83.9 | 136.7 | 165.3 | -71 | 167.3 | 0 | 0 | 0 | 109.5 | ||||
| 555 | S | 25 | Very low | 28 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -144.5 | 144.6 | 160.4 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 556 | L | 23.7 | Very low | 26.8 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | trans | -121.8 | 121.8 | -159.5 | -76.8 | 161.3 | 0 | 0 | 0 | 112.9 | ||||
| 557 | T | 25.5 | Very low | 26 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 66.1 | 171.4 | 144.9 | 63.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 558 | P | 29.9 | Very low | 26.6 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -129.5 | -178.8 | 6.1 | 42.7 | -25.7 | 0 | 0 | 0 | 117.2 | ||||
| 559 | V | 26.4 | Very low | 26.4 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -101.5 | 150.9 | -176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 560 | Q | 24.6 | Very low | 26.2 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -139.6 | 122.8 | 155.6 | -70.5 | -166.4 | -13.4 | 0 | 0 | 113.2 | ||||
| 561 | S | 23.7 | Very low | 27.1 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 52.3 | 129.6 | 137.2 | -49.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 562 | A | 25.4 | Very low | 27 | Very low | 100 Ų | 100 | 144 Ų | 144 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | 69.6 | 138.1 | 50.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 563 | A | 25 | Very low | 27.1 | Very low | 78 Ų | 78 | 147.3 Ų | 147.3 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | cis | -132.6 | -162.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 564 | W | 24.6 | Very low | 27.1 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | cis | -140.1 | -179.4 | 17.9 | -82.2 | -67.4 | 0 | 0 | 0 | 109.8 | ||||
| 565 | S | 24.5 | Very low | 27.4 | Very low | 100 Ų | 100 | 151.3 Ų | 151.3 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | cis | 69.5 | 134.1 | 41.4 | -104 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 566 | E | 25.9 | Very low | 27.6 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | cis | -137 | -173.2 | 12.2 | -71.1 | -158.3 | 128.2 | 0 | 0 | 115.3 | ||||
| 567 | Q | 23.7 | Very low | 27.7 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -89.5 | -154.6 | -179.3 | -67.8 | -170.3 | -15.6 | 0 | 0 | 113.5 | ||||
| 568 | P | 45.6 | Very low | 27.7 | Very low | 105 Ų | 105 | 156.4 Ų | 156.4 | 68% | 0.682 | 81% | 0.811 | S | S | * | * | -129.2 | -179.1 | -73.1 | 36.5 | -21.4 | 0 | 0 | 0 | 113.8 | |||||
| 569 | Q | 24.3 | Very low | 27.5 | Very low | 197 Ų | 197 | 160 Ų | 160 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | trans | -157.9 | 178 | 132.6 | -116 | 176.2 | 31.9 | 0 | 0 | 114.5 | ||||
| 570 | K | 24.5 | Very low | 28.4 | Very low | 200 Ų | 200 | 159.1 Ų | 159.1 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -122.1 | 171.5 | -165.5 | -107 | -164.6 | 174.9 | -176.9 | 0 | 113 | ||||
| 571 | P | 46.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 158.7 Ų | 158.7 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -100.6 | 177.5 | -158 | 40.7 | -40 | 0 | 0 | 0 | 115.5 | ||||
| 572 | Q | 23.7 | Very low | 28.6 | Very low | 192 Ų | 192 | 160.7 Ų | 160.7 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -151.8 | 169.5 | 157.5 | -117.3 | 169.4 | 25.4 | 0 | 0 | 114.9 | ||||
| 573 | H | 27 | Very low | 28.7 | Very low | 175 Ų | 175 | 166 Ų | 166 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 165.5 | -167.6 | -68.9 | -137.3 | 0 | 0 | 0 | 114.9 | ||||
| 574 | Q | 26.8 | Very low | 28.9 | Very low | 186 Ų | 186 | 166.9 Ų | 166.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | -171.6 | 152.1 | 111.2 | -101.8 | 170.7 | 14.7 | 0 | 0 | 114.6 | |||||
| 575 | E | 30.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 163.3 Ų | 163.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -92.2 | 159 | 163.3 | -60.1 | 175 | 96.8 | 0 | 0 | 110.4 | ||||
| 576 | I | 28.4 | Very low | 29.9 | Very low | 167 Ų | 167 | 165.4 Ų | 165.4 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -165.8 | 162.2 | 145.9 | -107.6 | 154.4 | 0 | 0 | 0 | 111.9 | ||||
| 577 | T | 25.1 | Very low | 30.2 | Very low | 111 Ų | 111 | 161.2 Ų | 161.2 | 68% | 0.681 | 81% | 0.81 | S | S | * | * | trans | -107.7 | 164.1 | -159.3 | -10.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 578 | R | 26.8 | Very low | 30.9 | Very low | 224 Ų | 224 | 162.7 Ų | 162.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | 86.1 | 115.3 | 152.1 | -70 | 161.5 | 175.1 | 143.3 | -0.5 | 120.7 | ||||
| 579 | K | 24.8 | Very low | 30.5 | Very low | 197 Ų | 197 | 162.9 Ų | 162.9 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | 20.6 | 158.9 | 125.7 | -66.7 | -170.5 | 177.9 | -172.6 | 0 | 120.6 | |||||
| 580 | P | 45.1 | Very low | 31.3 | Very low | 117 Ų | 117 | 158.2 Ų | 158.2 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -138 | 175.7 | -37.6 | 40.4 | -24.6 | 0 | 0 | 0 | 112.8 | ||||
| 581 | L | 26.5 | Very low | 32.1 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -150 | 137 | 158.9 | -160.4 | 63.8 | 0 | 0 | 0 | 112.6 | ||||
| 582 | E | 27.4 | Very low | 32.6 | Very low | 148 Ų | 148 | 160 Ų | 160 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -80.4 | 149.7 | 169 | -52.5 | 180 | 163.6 | 0 | 0 | 109.6 | ||||
| 583 | R | 26.2 | Very low | 34.9 | Very low | 212 Ų | 212 | 154 Ų | 154 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | -170.8 | 153.7 | 65.1 | -85.9 | -169.8 | 170.9 | 178.1 | -4.4 | 113 | |||||
| 584 | S | 30.6 | Very low | 37.4 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | 15.1 | 119.3 | 151.6 | 61.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 585 | N | 28.7 | Very low | 40.3 | Very low | 165 Ų | 165 | 147 Ų | 147 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | -141.8 | 135.2 | 119.1 | -101.1 | -35.4 | 0 | 0 | 0 | 109.8 | S587 | N585-S587 PolarHBondContact O-N 2.93Š| |||
| 586 | V | 41.5 | Very low | 43.1 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 87% | 0.873 | 72% | 0.715 | S | S | * | * | trans | -89.5 | 105.7 | -178.6 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 587 | S | 31.8 | Very low | 46.1 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | trans | -120.5 | 137 | 161.8 | 55.2 | 0 | 0 | 0 | 0 | 109.2 | N585 V589 | N585-S587 PolarHBondContact O-N 2.93Å; S587-V589 PolarHBondContact O-N 2.86Å | ||
| 588 | K | 37.5 | Very low | 49.3 | Very low | 209 Ų | 209 | 138.1 Ų | 138.1 | 91% | 0.909 | 69% | 0.686 | S | S | * | * | trans | -76.7 | 92.7 | -177.2 | -72.9 | 179 | 176.7 | 176.9 | 0 | 110.3 | ||||
| 589 | V | 36.8 | Very low | 52.4 | Low | 110 Ų | 110 | 129 Ų | 129 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | trans | -70.1 | 131.6 | 161.3 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | S587 Y591 | S587-V589 PolarHBondContact O-N 2.86Å; V589-Y591 PolarHBondContact O-N 3.21Å | ||
| 590 | P | 41.1 | Very low | 55.6 | Low | 98 Ų | 98 | 122.7 Ų | 122.7 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | trans | -65.5 | 125.7 | 171.3 | 27.5 | -33 | 0 | 0 | 0 | 109.1 | Q592 | P590-Q592 PolarHBondContact O-N 3.39Å; P590-Q592 VanDerWaalsContact O-N 3.08Å | ||
| 591 | Y | 43 | Very low | 57.9 | Low | 230 Ų | 230 | 117.4 Ų | 117.4 | 90% | 0.902 | 61% | 0.611 | S | S | * | * | trans | -63.2 | 113 | -178.3 | -71.8 | -83.6 | 0 | 0 | 0 | 110.8 | V589 S593 | V589-Y591 PolarHBondContact O-N 3.21Å; Y591-S593 PolarHBondContact O-N 2.81Å | ||
| 592 | Q | 57 | Low | 61 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | trans | -64.2 | 105 | 169.8 | -165.2 | 179.8 | -5.4 | 0 | 0 | 108.2 | P590 V594 T623 | P590-Q592 PolarHBondContact O-N 3.39Å; P590-Q592 VanDerWaalsContact O-N 3.08Å; Q592-V594 PolarHBondContact O-N 3.01Å; Q592-T623 VanDerWaalsContact CG-O 3.23Å; Q592-T623 WeakPolarHBondContact CG-O 3.36Å | ||
| 593 | S | 70.1 | Confident | 64.1 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 46% | 0.462 | 56% | 0.556 | S | S | . | * | trans | -78.1 | 125.5 | -176.3 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | Y591 S622 T623 | Y591-S593 PolarHBondContact O-N 2.81Å; S593-S622 WeakPolarHBondContact O-CA 3.12Å; S593-T623 PolarHBondContact O-N 3.24Å; S593-T623 WeakPolarHBondContact OG-CB 3.27Å; S593-T623 PolarHBondContact OG-OG1 3.35Å; S593-T623 VanDerWaalsContact OG-OG1 3.13Å | ||
| 594 | V | 79.9 | Confident | 67.1 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.5 | 177.1 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | Q592 V596 Q621 | Q592-V594 PolarHBondContact O-N 3.01Å; V594-V596 HydrophobicContact CG1-CG2 4.12Å; V594-Q621 WeakPolarHBondContact CA-O 3.44Å |
| 595 | W | 87.9 | Confident | 69.7 | Low | 120 Ų | 120 | 96.8 Ų | 96.8 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 141.8 | 174.1 | 173.9 | 92.4 | 0 | 0 | 0 | 109.4 | R597 L619 E620 Q621 L697 | W595-R597 HydrophobicContact CH2-CB 3.53Å; W595-R597 HydrophobicContact CZ2-CB 3.91Å; W595-R597 HydrophobicContact CZ3-CB 3.98Å; W595-L619 HydrophobicContact CZ3-CD2 4.26Å; W595-E620 CarbonylContact O-C 3.59Å; W595-E620 WeakPolarHBondContact O-CA 3.42Å; W595-Q621 HydrophobicContact CE3-CB 3.95Å; W595-Q621 PolarHBondContact N-O 2.84Å; W595-Q621 PolarHBondContact O-N 3.34Å; W595-L697 HydrophobicContact CH2-CD1 4.01Å; W595-L697 HydrophobicContact CH2-CD2 3.79Å; W595-L697 HydrophobicContact CZ3-CD2 4.4Å |
| 596 | V | 88.2 | Confident | 72.2 | Confident | 55 Ų | 55 | 91 Ų | 91 | 33% | 0.333 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 121.1 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | V594 K598 A618 L619 E620 | V594-V596 HydrophobicContact CG1-CG2 4.12Å; V596-K598 HydrophobicContact CG1-CD 4.4Å; V596-K598 HydrophobicContact CG1-CG 3.87Å; V596-A618 HydrophobicContact CG1-CB 4.27Å; V596-L619 WeakPolarHBondContact CA-O 3.36Å; V596-E620 HydrophobicContact CB-CG 4.41Å; V596-E620 HydrophobicContact CG1-CG 3.91Å; V596-E620 HydrophobicContact CG2-CB 4.15Å; V596-E620 HydrophobicContact CG2-CG 3.79Å |
| 597 | R | 91.3 | Very high | 74.1 | Confident | 72 Ų | 72 | 86.9 Ų | 86.9 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.3 | 166.2 | -178.6 | -175.9 | 179.3 | 179.9 | -5.4 | 109.5 | W595 A618 L619 D693 W694 L697 | W595-R597 HydrophobicContact CH2-CB 3.53Å; W595-R597 HydrophobicContact CZ2-CB 3.91Å; W595-R597 HydrophobicContact CZ3-CB 3.98Å; R597-A618 CarbonylContact O-C 3.54Å; R597-A618 VanDerWaalsContact O-CA 3.28Å; R597-A618 WeakPolarHBondContact O-CA 3.47Å; R597-L619 PolarHBondContact N-O 2.88Å; R597-L619 PolarHBondContact O-N 3.42Å; R597-D693 PolarHBondContact NH1-O 3.25Å; R597-D693 PolarHBondContact NH2-O 2.9Å; R597-D693 VanDerWaalsContact NH2-O 3.08Å; R597-W694 HydrophobicContact CB-CH2 4.43Å; R597-W694 HydrophobicContact CG-CH2 3.89Å; R597-W694 HydrophobicContact CG-CZ2 4.32Å; R597-W694 HydrophobicContact CG-CZ3 4.46Å; R597-L697 HydrophobicContact CB-CD2 4.44Å; R597-L697 HydrophobicContact CG-CD2 4.47Å |
| 598 | K | 92.8 | Very high | 76.3 | Confident | 150 Ų | 150 | 90.7 Ų | 90.7 | 65% | 0.652 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 156.4 | 176.3 | -55.6 | -167.9 | 177.3 | -174.7 | 0 | 111.4 | V596 V617 A618 | V596-K598 HydrophobicContact CG1-CD 4.4Å; V596-K598 HydrophobicContact CG1-CG 3.87Å; K598-V617 CarbonylContact C-O 3.53Å; K598-V617 VanDerWaalsContact CA-O 3.28Å; K598-V617 WeakPolarHBondContact CA-O 3.5Å; K598-A618 HydrophobicContact CG-CB 4.02Å |
| 599 | G | 91.7 | Very high | 78.4 | Confident | 31 Ų | 31 | 85.5 Ų | 85.5 | 32% | 0.32 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | -173.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V617 | G599-V617 PolarHBondContact N-O 2.82Å; G599-V617 PolarHBondContact O-N 3.39Å |
| 600 | A | 92.1 | Very high | 80.6 | Confident | 66 Ų | 66 | 83.7 Ų | 83.7 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V615 | A600-V615 WeakPolarHBondContact CA-O 3.39Å |
| 601 | L | 93.3 | Very high | 82.8 | Confident | 6 Ų | 6 | 86.1 Ų | 86.1 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 179.3 | 178 | -64.8 | 179.2 | 0 | 0 | 0 | 108.6 | V615 V617 F667 L683 A684 A685 | L601-V615 HydrophobicContact CB-CG2 4.22Å; L601-V615 PolarHBondContact N-O 3.39Å; L601-V615 WeakPolarHBondContact O-CG2 3.35Å; L601-V615 PolarHBondContact O-N 2.72Å; L601-V615 VanDerWaalsContact O-O 3.08Å; L601-V617 HydrophobicContact CB-CG1 4.34Å; L601-V617 HydrophobicContact CD1-CG1 4.04Å; L601-V617 HydrophobicContact CD1-CG2 3.93Å; L601-V617 HydrophobicContact CG-CG1 4.32Å; L601-V617 HydrophobicContact CG-CG2 3.96Å; L601-F667 HydrophobicContact CD1-CE1 4.23Å; L601-F667 HydrophobicContact CD1-CZ 4.03Å; L601-L683 HydrophobicContact CD1-CB 4.3Å; L601-L683 HydrophobicContact CD1-CD1 4.08Å; L601-A684 CarbonylContact C-O 3.59Å; L601-A684 WeakPolarHBondContact CA-O 3.46Å; L601-A684 WeakPolarHBondContact CB-O 3.49Å; L601-A685 HydrophobicContact CD2-CB 3.88Å |
| 602 | R | 91.7 | Very high | 85 | Confident | 107 Ų | 107 | 77.5 Ų | 77.5 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.8 | 163 | -67.8 | 174.5 | 169.8 | 165.5 | 1.2 | 110.3 | W612 V613 D614 L683 A684 | R602-W612 HydrophobicContact CB-CE3 3.78Å; R602-W612 HydrophobicContact CB-CZ3 4.43Å; R602-V613 CarbonylContact C-O 3.59Å; R602-V613 VanDerWaalsContact CA-O 3.26Å; R602-V613 WeakPolarHBondContact CA-O 3.48Å; R602-D614 WeakPolarHBondContact CG-OD1 3.3Å; R602-D614 IonicContact CZ-OD1 3.79Å; R602-D614 IonicContact NE-OD1 3.14Å; R602-D614 PolarHBondContact NE-OD1 3.46Å; R602-D614 IonicContact NH2-OD1 3.69Å; R602-D614 PolarHBondContact NH2-OD1 3.15Å; R602-L683 CarbonylContact O-C 3.55Å; R602-L683 VanDerWaalsContact O-CA 3.22Å; R602-L683 WeakPolarHBondContact O-CA 3.47Å; R602-A684 HydrophobicContact CB-CB 4.22Å; R602-A684 PolarHBondContact N-O 2.92Å; R602-A684 PolarHBondContact O-N 3.19Å |
| 603 | W | 92 | Very high | 86.6 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.9 | 173.1 | 173.4 | 25.8 | 0 | 0 | 0 | 109.9 | R605 D606 W607 W612 V613 V615 Y637 L681 L683 | W603-R605 PolarHBondContact O-N 2.72Å; W603-D606 HydrophobicContact CZ2-CB 4.25Å; W603-D606 PolarHBondContact NE1-OD1 3.14Å; W603-W607 HydrophobicContact CH2-CE3 4.45Å; W603-W607 HydrophobicContact CH2-CH2 4.38Å; W603-W607 AromaticContact CH2-CZ3 3.58Å; W603-W607 HydrophobicContact CH2-CZ3 3.58Å; W603-W607 HydrophobicContact CZ2-CZ3 4.31Å; W603-W607 HydrophobicContact CZ3-CH2 4.01Å; W603-W607 AromaticContact CZ3-CZ3 3.68Å; W603-W607 HydrophobicContact CZ3-CZ3 3.68Å; W603-W612 CarbonylContact O-C 3.6Å; W603-W612 WeakPolarHBondContact O-CA 3.35Å; W603-V613 PolarHBondContact N-O 3.45Å; W603-V613 PolarHBondContact O-N 2.72Å; W603-V615 HydrophobicContact CB-CG1 3.93Å; W603-V615 HydrophobicContact CB-CG2 4.05Å; W603-V615 HydrophobicContact CE3-CG1 4.3Å; W603-Y637 HydrophobicContact CE3-CD1 4.36Å; W603-Y637 HydrophobicContact CE3-CG 4.32Å; W603-Y637 HydrophobicContact CH2-CD1 4.49Å; W603-Y637 HydrophobicContact CH2-CE1 4.3Å; W603-Y637 AromaticContact CZ3-CD1 3.61Å; W603-Y637 HydrophobicContact CZ3-CD1 3.61Å; W603-Y637 HydrophobicContact CZ3-CD2 4.12Å; W603-Y637 AromaticContact CZ3-CE1 3.83Å; W603-Y637 HydrophobicContact CZ3-CE1 3.83Å; W603-Y637 HydrophobicContact CZ3-CE2 4.31Å; W603-Y637 AromaticContact CZ3-CG 3.76Å; W603-Y637 HydrophobicContact CZ3-CG 3.76Å; W603-L681 HydrophobicContact CD2-CD1 4.33Å; W603-L681 HydrophobicContact CG-CD1 4.24Å; W603-L681 HydrophobicContact CZ2-CD1 4.29Å; W603-L683 HydrophobicContact CB-CD2 3.91Å; W603-L683 HydrophobicContact CG-CD2 4.3Å |
| 604 | W | 89.9 | Confident | 87.5 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 21% | 0.205 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 95.2 | 164.4 | -175.6 | -103.9 | 0 | 0 | 0 | 108.8 | D606 Q610 W612 I682 | W604-D606 PolarHBondContact O-N 3.31Å; W604-Q610 HydrophobicContact CH2-CB 4.44Å; W604-Q610 HydrophobicContact CZ2-CB 3.6Å; W604-W612 HydrophobicContact CB-CE3 4.08Å; W604-W612 HydrophobicContact CB-CH2 3.9Å; W604-W612 HydrophobicContact CB-CZ2 4.36Å; W604-W612 HydrophobicContact CB-CZ3 3.77Å; W604-W612 AromaticContact CE3-CD1 3.85Å; W604-W612 AromaticContact CE3-CD2 3.84Å; W604-W612 HydrophobicContact CE3-CD2 3.84Å; W604-W612 AromaticContact CE3-CE2 3.65Å; W604-W612 AromaticContact CE3-CG 3.95Å; W604-W612 HydrophobicContact CE3-CG 3.95Å; W604-W612 HydrophobicContact CE3-CZ2 4.14Å; W604-W612 AromaticContact CE3-NE1 3.66Å; W604-W612 AromaticContact CZ3-CD1 3.83Å; W604-W612 HydrophobicContact CZ3-CG 4.3Å; W604-W612 AromaticContact CZ3-NE1 3.78Å; W604-W612 VanDerWaalsContact N-CZ3 3.32Å; W604-I682 HydrophobicContact CB-CB 4.19Å; W604-I682 HydrophobicContact CB-CG2 4.49Å; W604-I682 PolarHBondContact N-O 3.34Å; W604-I682 VanDerWaalsContact N-O 3.09Å |
| 605 | R | 85.3 | Confident | 88.1 | Confident | 26 Ų | 26 | 71.2 Ų | 71.2 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | trans | -62.5 | 137.4 | -165 | 78.1 | -169.7 | -171.2 | 166.6 | -2.6 | 112.7 | W603 W607 P609 R611 V613 | W603-R605 PolarHBondContact O-N 2.72Å; R605-W607 VanDerWaalsContact C-N 3.25Å; R605-W607 HydrophobicContact CB-CD2 4.28Å; R605-W607 HydrophobicContact CB-CE3 4.15Å; R605-W607 HydrophobicContact CB-CH2 4.12Å; R605-W607 HydrophobicContact CB-CZ2 4.28Å; R605-W607 HydrophobicContact CB-CZ3 4.07Å; R605-W607 HydrophobicContact CG-CD2 4.2Å; R605-W607 HydrophobicContact CG-CZ2 4.49Å; R605-W607 PolarHBondContact NE-O 3.04Å; R605-W607 PolarHBondContact O-N 2.87Å; R605-P609 VanDerWaalsContact CZ-O 3.26Å; R605-P609 PolarHBondContact NE-O 2.86Å; R605-P609 PolarHBondContact NH2-O 3.26Å; R605-R611 PolarHBondContact N-O 3.21Å; R605-V613 HydrophobicContact CB-CG2 4.21Å; R605-V613 HydrophobicContact CG-CG2 4.43Å | ||
| 606 | D | 82.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 67 Ų | 67 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -65.7 | -24.6 | -174.5 | -63.9 | -10.6 | 0 | 0 | 0 | 113.3 | W603 W604 R674 W679 | W603-D606 HydrophobicContact CZ2-CB 4.25Å; W603-D606 PolarHBondContact NE1-OD1 3.14Å; W604-D606 PolarHBondContact O-N 3.31Å; D606-R674 IonicContact OD1-NH1 2.67Å; D606-R674 IonicContact OD2-CZ 3.99Å; D606-R674 IonicContact OD2-NH1 3.61Å; D606-R674 PolarHBondContact OD2-NH1 3.35Å; D606-R674 IonicContact OD2-NH2 2.81Å; D606-R674 PolarHBondContact OD2-NH2 3.48Å; D606-W679 VanDerWaalsContact CG-NE1 3.25Å; D606-W679 PolarHBondContact OD1-NE1 3.26Å |
| 607 | W | 80.8 | Confident | 88.6 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 22% | 0.216 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -95.3 | 146.4 | -176.9 | 67.3 | 94.6 | 0 | 0 | 0 | 114.8 | W603 R605 P609 Y637 Q639 | W603-W607 HydrophobicContact CH2-CE3 4.45Å; W603-W607 HydrophobicContact CH2-CH2 4.38Å; W603-W607 AromaticContact CH2-CZ3 3.58Å; W603-W607 HydrophobicContact CH2-CZ3 3.58Å; W603-W607 HydrophobicContact CZ2-CZ3 4.31Å; W603-W607 HydrophobicContact CZ3-CH2 4.01Å; W603-W607 AromaticContact CZ3-CZ3 3.68Å; W603-W607 HydrophobicContact CZ3-CZ3 3.68Å; R605-W607 VanDerWaalsContact C-N 3.25Å; R605-W607 HydrophobicContact CB-CD2 4.28Å; R605-W607 HydrophobicContact CB-CE3 4.15Å; R605-W607 HydrophobicContact CB-CH2 4.12Å; R605-W607 HydrophobicContact CB-CZ2 4.28Å; R605-W607 HydrophobicContact CB-CZ3 4.07Å; R605-W607 HydrophobicContact CG-CD2 4.2Å; R605-W607 HydrophobicContact CG-CZ2 4.49Å; R605-W607 PolarHBondContact NE-O 3.04Å; R605-W607 PolarHBondContact O-N 2.87Å; W607-P609 CarbonylContact O-C 3.54Å; W607-Y637 AromaticContact CH2-CD2 3.65Å; W607-Y637 HydrophobicContact CH2-CD2 3.65Å; W607-Y637 AromaticContact CH2-CE2 3.6Å; W607-Y637 HydrophobicContact CH2-CE2 3.6Å; W607-Y637 HydrophobicContact CZ3-CD2 4.36Å; W607-Y637 AromaticContact CZ3-CE2 3.99Å; W607-Y637 HydrophobicContact CZ3-CE2 3.99Å; W607-Q639 HydrophobicContact CH2-CG 4.46Å; W607-Q639 HydrophobicContact CZ2-CB 4.25Å; W607-Q639 HydrophobicContact CZ2-CG 3.86Å |
| 608 | K | 77.3 | Confident | 88.7 | Confident | 180 Ų | 180 | 61.1 Ų | 61.1 | 78% | 0.783 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.7 | 151.7 | -179.6 | -68.8 | -175 | 178.4 | -179.3 | 0 | 112.9 | ||
| 609 | P | 81.9 | Confident | 88.7 | Confident | 99 Ų | 99 | 54 Ų | 54 | 64% | 0.643 | 27% | 0.274 | S | S | * | . | S | Bend | cis | -66.2 | 135 | -17.3 | 28.4 | -34 | 0 | 0 | 0 | 109.9 | R605 W607 | R605-P609 VanDerWaalsContact CZ-O 3.26Å; R605-P609 PolarHBondContact NE-O 2.86Å; R605-P609 PolarHBondContact NH2-O 3.26Å; W607-P609 CarbonylContact O-C 3.54Å |
| 610 | Q | 82.5 | Confident | 88.7 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 136.8 | -176.1 | -67.5 | 171.6 | -10.2 | 0 | 0 | 110 | W604 W679 | W604-Q610 HydrophobicContact CH2-CB 4.44Å; W604-Q610 HydrophobicContact CZ2-CB 3.6Å; Q610-W679 VanDerWaalsContact NE2-CZ2 3.29Å |
| 611 | R | 88.4 | Confident | 88.6 | Confident | 149 Ų | 149 | 53.3 Ų | 53.3 | 56% | 0.562 | 25% | 0.252 | S | S | * | . | trans | -164.3 | 159.9 | 178.6 | 67 | -179.3 | -166.7 | -165.6 | 4.4 | 110.2 | R605 V613 | R605-R611 PolarHBondContact N-O 3.21Å; R611-V613 HydrophobicContact CG-CG2 4.45Å | ||
| 612 | W | 88.6 | Confident | 88.3 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 19% | 0.186 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 140.7 | 167 | -65.4 | 109.2 | 0 | 0 | 0 | 111.8 | R602 W603 W604 T666 I682 A684 | R602-W612 HydrophobicContact CB-CE3 3.78Å; R602-W612 HydrophobicContact CB-CZ3 4.43Å; W603-W612 CarbonylContact O-C 3.6Å; W603-W612 WeakPolarHBondContact O-CA 3.35Å; W604-W612 HydrophobicContact CB-CE3 4.08Å; W604-W612 HydrophobicContact CB-CH2 3.9Å; W604-W612 HydrophobicContact CB-CZ2 4.36Å; W604-W612 HydrophobicContact CB-CZ3 3.77Å; W604-W612 AromaticContact CE3-CD1 3.85Å; W604-W612 AromaticContact CE3-CD2 3.84Å; W604-W612 HydrophobicContact CE3-CD2 3.84Å; W604-W612 AromaticContact CE3-CE2 3.65Å; W604-W612 AromaticContact CE3-CG 3.95Å; W604-W612 HydrophobicContact CE3-CG 3.95Å; W604-W612 HydrophobicContact CE3-CZ2 4.14Å; W604-W612 AromaticContact CE3-NE1 3.66Å; W604-W612 AromaticContact CZ3-CD1 3.83Å; W604-W612 HydrophobicContact CZ3-CG 4.3Å; W604-W612 AromaticContact CZ3-NE1 3.78Å; W604-W612 VanDerWaalsContact N-CZ3 3.32Å; W612-T666 HydrophobicContact CH2-CG2 3.45Å; W612-T666 VanDerWaalsContact CH2-CG2 3.45Å; W612-T666 HydrophobicContact CZ2-CG2 3.87Å; W612-T666 HydrophobicContact CZ3-CG2 4.39Å; W612-I682 HydrophobicContact CH2-CG2 3.97Å; W612-A684 HydrophobicContact CE3-CB 4.33Å; W612-A684 HydrophobicContact CH2-CB 4.04Å; W612-A684 HydrophobicContact CZ3-CB 3.8Å |
| 613 | V | 89.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.8 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | R602 W603 R605 R611 | R602-V613 CarbonylContact C-O 3.59Å; R602-V613 VanDerWaalsContact CA-O 3.26Å; R602-V613 WeakPolarHBondContact CA-O 3.48Å; W603-V613 PolarHBondContact N-O 3.45Å; W603-V613 PolarHBondContact O-N 2.72Å; R605-V613 HydrophobicContact CB-CG2 4.21Å; R605-V613 HydrophobicContact CG-CG2 4.43Å; R611-V613 HydrophobicContact CG-CG2 4.45Å |
| 614 | D | 89.9 | Confident | 87.1 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131.2 | 172.7 | -55.2 | -77.6 | 0 | 0 | 0 | 110.2 | R602 | R602-D614 WeakPolarHBondContact CG-OD1 3.3Å; R602-D614 IonicContact CZ-OD1 3.79Å; R602-D614 IonicContact NE-OD1 3.14Å; R602-D614 PolarHBondContact NE-OD1 3.46Å; R602-D614 IonicContact NH2-OD1 3.69Å; R602-D614 PolarHBondContact NH2-OD1 3.15Å |
| 615 | V | 92.6 | Very high | 86 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.6 | -174.8 | -68.1 | 0 | 0 | 0 | 0 | 111.2 | A600 L601 W603 V617 V635 Y636 | A600-V615 WeakPolarHBondContact CA-O 3.39Å; L601-V615 HydrophobicContact CB-CG2 4.22Å; L601-V615 PolarHBondContact N-O 3.39Å; L601-V615 WeakPolarHBondContact O-CG2 3.35Å; L601-V615 PolarHBondContact O-N 2.72Å; L601-V615 VanDerWaalsContact O-O 3.08Å; W603-V615 HydrophobicContact CB-CG1 3.93Å; W603-V615 HydrophobicContact CB-CG2 4.05Å; W603-V615 HydrophobicContact CE3-CG1 4.3Å; V615-V617 HydrophobicContact CG2-CG1 4.33Å; V615-V635 HydrophobicContact CB-CG1 3.82Å; V615-V635 HydrophobicContact CG1-CG1 4.07Å; V615-V635 HydrophobicContact CG2-CG1 3.8Å; V615-Y636 WeakPolarHBondContact CA-O 3.43Å; V615-Y636 WeakPolarHBondContact CB-O 3.15Å |
| 616 | G | 91.4 | Very high | 85.2 | Confident | 31 Ų | 31 | 61.7 Ų | 61.7 | 32% | 0.32 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 140.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y636 | G616-Y636 PolarHBondContact N-O 3.2Å; G616-Y636 VanDerWaalsContact N-O 3.09Å; G616-Y636 WeakPolarHBondContact O-CD2 3.43Å; G616-Y636 PolarHBondContact O-N 2.98Å |
| 617 | V | 94.4 | Very high | 84.6 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.4 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | K598 G599 L601 V615 F633 F634 V635 W694 | K598-V617 CarbonylContact C-O 3.53Å; K598-V617 VanDerWaalsContact CA-O 3.28Å; K598-V617 WeakPolarHBondContact CA-O 3.5Å; G599-V617 PolarHBondContact N-O 2.82Å; G599-V617 PolarHBondContact O-N 3.39Å; L601-V617 HydrophobicContact CB-CG1 4.34Å; L601-V617 HydrophobicContact CD1-CG1 4.04Å; L601-V617 HydrophobicContact CD1-CG2 3.93Å; L601-V617 HydrophobicContact CG-CG1 4.32Å; L601-V617 HydrophobicContact CG-CG2 3.96Å; V615-V617 HydrophobicContact CG2-CG1 4.33Å; V617-F633 HydrophobicContact CB-CE2 3.92Å; V617-F633 HydrophobicContact CB-CZ 3.83Å; V617-F633 HydrophobicContact CG1-CE2 4.49Å; V617-F633 HydrophobicContact CG1-CZ 3.89Å; V617-F633 HydrophobicContact CG2-CE2 4.3Å; V617-F633 HydrophobicContact CG2-CZ 4.34Å; V617-F634 CarbonylContact C-O 3.5Å; V617-F634 VanDerWaalsContact CA-O 3.27Å; V617-F634 WeakPolarHBondContact CA-O 3.4Å; V617-V635 HydrophobicContact CG1-CB 4.44Å; V617-V635 HydrophobicContact CG1-CG1 4.25Å; V617-V635 HydrophobicContact CG1-CG2 4.08Å; V617-W694 HydrophobicContact CG2-CH2 4.08Å; V617-W694 HydrophobicContact CG2-CZ2 3.74Å |
| 618 | A | 93.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 129 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V596 R597 K598 F634 Y636 | V596-A618 HydrophobicContact CG1-CB 4.27Å; R597-A618 CarbonylContact O-C 3.54Å; R597-A618 VanDerWaalsContact O-CA 3.28Å; R597-A618 WeakPolarHBondContact O-CA 3.47Å; K598-A618 HydrophobicContact CG-CB 4.02Å; A618-F634 PolarHBondContact N-O 2.98Å; A618-F634 PolarHBondContact O-N 2.78Å; A618-Y636 HydrophobicContact CB-CE2 3.9Å |
| 619 | L | 93.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.9 | 163.9 | -174.5 | 67.4 | 0 | 0 | 0 | 107.9 | W595 V596 R597 F633 I650 W694 L697 L698 | W595-L619 HydrophobicContact CZ3-CD2 4.26Å; V596-L619 WeakPolarHBondContact CA-O 3.36Å; R597-L619 PolarHBondContact N-O 2.88Å; R597-L619 PolarHBondContact O-N 3.42Å; L619-F633 HydrophobicContact CB-CD2 4.18Å; L619-F633 HydrophobicContact CD1-CB 3.9Å; L619-F633 HydrophobicContact CD1-CD2 4.24Å; L619-I650 HydrophobicContact CD1-CD1 4.03Å; L619-I650 HydrophobicContact CD1-CG1 3.97Å; L619-W694 HydrophobicContact CB-CZ3 4.15Å; L619-L697 HydrophobicContact CD2-CD1 4.26Å; L619-L697 HydrophobicContact CD2-CD2 3.76Å; L619-L697 HydrophobicContact CD2-CG 3.77Å; L619-L698 HydrophobicContact CD1-CD2 4.03Å; L619-L698 HydrophobicContact CD2-CD2 4.19Å |
| 620 | E | 92.6 | Very high | 84.4 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.9 | 174.5 | -52.6 | -158.8 | 149.6 | 0 | 0 | 108.8 | W595 V596 S631 I632 F634 | W595-E620 CarbonylContact O-C 3.59Å; W595-E620 WeakPolarHBondContact O-CA 3.42Å; V596-E620 HydrophobicContact CB-CG 4.41Å; V596-E620 HydrophobicContact CG1-CG 3.91Å; V596-E620 HydrophobicContact CG2-CB 4.15Å; V596-E620 HydrophobicContact CG2-CG 3.79Å; E620-S631 CarbonylContact O-C 3.47Å; E620-S631 VanDerWaalsContact O-CA 3.28Å; E620-S631 WeakPolarHBondContact O-CA 3.16Å; E620-I632 PolarHBondContact N-O 2.97Å; E620-I632 PolarHBondContact O-N 2.85Å; E620-F634 HydrophobicContact CB-CE2 4.31Å; E620-F634 HydrophobicContact CG-CD2 3.99Å; E620-F634 HydrophobicContact CG-CE2 3.92Å |
| 621 | Q | 89.4 | Confident | 84.8 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.8 | 176.8 | 179.2 | 171.2 | 86.1 | 0 | 0 | 108.9 | V594 W595 K629 S631 E704 | V594-Q621 WeakPolarHBondContact CA-O 3.44Å; W595-Q621 HydrophobicContact CE3-CB 3.95Å; W595-Q621 PolarHBondContact N-O 2.84Å; W595-Q621 PolarHBondContact O-N 3.34Å; Q621-K629 HydrophobicContact CG-CB 3.94Å; Q621-K629 HydrophobicContact CG-CD 3.86Å; Q621-K629 HydrophobicContact CG-CG 4.49Å; Q621-K629 VanDerWaalsContact OE1-NZ 3.14Å; Q621-S631 WeakPolarHBondContact CG-OG 3.37Å; Q621-S631 PolarHBondContact NE2-OG 2.86Å; Q621-S631 VanDerWaalsContact NE2-OG 3.15Å; Q621-E704 PolarHBondContact NE2-OE2 2.87Å |
| 622 | S | 85.9 | Confident | 85 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | 178.6 | 72.1 | 0 | 0 | 0 | 0 | 111 | S593 K629 D630 | S593-S622 WeakPolarHBondContact O-CA 3.12Å; S622-K629 CarbonylContact O-C 3.51Å; S622-K629 VanDerWaalsContact O-CA 3.31Å; S622-K629 WeakPolarHBondContact O-CA 3.47Å; S622-D630 PolarHBondContact N-O 3.46Å; S622-D630 PolarHBondContact O-N 3.11Å; S622-D630 PolarHBondContact OG-O 3.13Å |
| 623 | T | 82.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.9 | 176.6 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | Q592 S593 K629 | Q592-T623 VanDerWaalsContact CG-O 3.23Å; Q592-T623 WeakPolarHBondContact CG-O 3.36Å; S593-T623 PolarHBondContact O-N 3.24Å; S593-T623 WeakPolarHBondContact OG-CB 3.27Å; S593-T623 PolarHBondContact OG-OG1 3.35Å; S593-T623 VanDerWaalsContact OG-OG1 3.13Å; T623-K629 HydrophobicContact CG2-CG 4.25Å |
| 624 | K | 76.2 | Confident | 85.4 | Confident | 91 Ų | 91 | 49.2 Ų | 49.2 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | -71.7 | 165 | 175.2 | -82.3 | 170 | 160.7 | 167.4 | 0 | 111.6 | D626 G627 R628 D630 | K624-D626 WeakPolarHBondContact CB-OD1 3.43Å; K624-D626 PolarHBondContact O-N 2.75Å; K624-G627 PolarHBondContact O-N 2.96Å; K624-R628 PolarHBondContact N-O 3.06Å; K624-D630 WeakPolarHBondContact CD-OD2 3.47Å; K624-D630 WeakPolarHBondContact CE-OD2 3.35Å; K624-D630 IonicContact NZ-OD2 2.76Å; K624-D630 PolarHBondContact NZ-OD2 2.95Å | ||
| 625 | S | 67.1 | Low | 85.6 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.5 | 179.2 | 54.9 | 0 | 0 | 0 | 0 | 114.9 | G627 | S625-G627 VanDerWaalsContact C-N 3.35Š|
| 626 | D | 68.5 | Low | 85.5 | Confident | 97 Ų | 97 | 48 Ų | 48 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.6 | 170.6 | 64 | -6.7 | 0 | 0 | 0 | 112.8 | K624 R628 | K624-D626 WeakPolarHBondContact CB-OD1 3.43Å; K624-D626 PolarHBondContact O-N 2.75Å; D626-R628 VanDerWaalsContact C-N 3.29Å; D626-R628 PolarHBondContact O-N 3.17Å; D626-R628 WeakPolarHBondContact OD1-CB 3.31Å; D626-R628 PolarHBondContact OD1-N 3.33Å; D626-R628 WeakPolarHBondContact OD2-CD 3.3Å |
| 627 | G | 70.3 | Confident | 85.4 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 58% | 0.577 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 82.3 | -4.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K624 S625 | K624-G627 PolarHBondContact O-N 2.96Å; S625-G627 VanDerWaalsContact C-N 3.35Å |
| 628 | R | 70.5 | Confident | 84.9 | Confident | 177 Ų | 177 | 51.7 Ų | 51.7 | 67% | 0.668 | 27% | 0.272 | S | S | * | . | trans | -72.9 | 149.3 | 172.9 | -66.8 | -174.9 | 169.9 | -170.4 | -4.1 | 110.3 | K624 D626 | K624-R628 PolarHBondContact N-O 3.06Å; D626-R628 VanDerWaalsContact C-N 3.29Å; D626-R628 PolarHBondContact O-N 3.17Å; D626-R628 WeakPolarHBondContact OD1-CB 3.31Å; D626-R628 PolarHBondContact OD1-N 3.33Å; D626-R628 WeakPolarHBondContact OD2-CD 3.3Å | ||
| 629 | K | 80.9 | Confident | 84.3 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.265 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 115.4 | 176.7 | -55.2 | -165.8 | -152.8 | 152.9 | 0 | 111.2 | Q621 S622 T623 E704 | Q621-K629 HydrophobicContact CG-CB 3.94Å; Q621-K629 HydrophobicContact CG-CD 3.86Å; Q621-K629 HydrophobicContact CG-CG 4.49Å; Q621-K629 VanDerWaalsContact OE1-NZ 3.14Å; S622-K629 CarbonylContact O-C 3.51Å; S622-K629 VanDerWaalsContact O-CA 3.31Å; S622-K629 WeakPolarHBondContact O-CA 3.47Å; T623-K629 HydrophobicContact CG2-CG 4.25Å; K629-E704 WeakPolarHBondContact CD-OE2 3.35Å; K629-E704 WeakPolarHBondContact CE-OE1 3.48Å; K629-E704 IonicContact NZ-OE1 3.68Å; K629-E704 PolarHBondContact NZ-OE1 2.87Å; K629-E704 IonicContact NZ-OE2 2.72Å; K629-E704 PolarHBondContact NZ-OE2 3.39Å |
| 630 | D | 84.1 | Confident | 83.7 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.4 | 169 | -71.6 | -32.3 | 0 | 0 | 0 | 109.4 | S622 K624 W705 | S622-D630 PolarHBondContact N-O 3.46Å; S622-D630 PolarHBondContact O-N 3.11Å; S622-D630 PolarHBondContact OG-O 3.13Å; K624-D630 WeakPolarHBondContact CD-OD2 3.47Å; K624-D630 WeakPolarHBondContact CE-OD2 3.35Å; K624-D630 IonicContact NZ-OD2 2.76Å; K624-D630 PolarHBondContact NZ-OD2 2.95Å; D630-W705 PolarHBondContact OD1-NE1 3.49Å |
| 631 | S | 89.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.4 | -176.7 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | E620 Q621 I650 | E620-S631 CarbonylContact O-C 3.47Å; E620-S631 VanDerWaalsContact O-CA 3.28Å; E620-S631 WeakPolarHBondContact O-CA 3.16Å; Q621-S631 WeakPolarHBondContact CG-OG 3.37Å; Q621-S631 PolarHBondContact NE2-OG 2.86Å; Q621-S631 VanDerWaalsContact NE2-OG 3.15Å; S631-I650 WeakPolarHBondContact O-CB 3.23Å; S631-I650 VanDerWaalsContact O-CG1 3.3Å; S631-I650 WeakPolarHBondContact O-CG1 3.43Å; S631-I650 PolarHBondContact O-N 3.03Å |
| 632 | I | 92.6 | Very high | 83 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128 | -179.9 | -50 | 179.5 | 0 | 0 | 0 | 108.9 | E620 F634 Q647 F649 | E620-I632 PolarHBondContact N-O 2.97Å; E620-I632 PolarHBondContact O-N 2.85Å; I632-F634 HydrophobicContact CB-CE2 3.94Å; I632-F634 HydrophobicContact CB-CZ 4.15Å; I632-F634 HydrophobicContact CD1-CZ 4.49Å; I632-F634 HydrophobicContact CG2-CD1 4.45Å; I632-F634 HydrophobicContact CG2-CD2 4.22Å; I632-F634 HydrophobicContact CG2-CE1 3.97Å; I632-F634 HydrophobicContact CG2-CE2 3.73Å; I632-F634 HydrophobicContact CG2-CZ 3.58Å; I632-Q647 HydrophobicContact CG2-CB 4.21Å; I632-F649 HydrophobicContact CD1-CD1 3.98Å; I632-F649 HydrophobicContact CD1-CE1 3.76Å; I632-F649 HydrophobicContact CG1-CD1 3.86Å; I632-F649 HydrophobicContact CG1-CE1 4.17Å; I632-F649 HydrophobicContact CG2-CD1 4.35Å |
| 633 | F | 94.4 | Very high | 83.1 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.009 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.5 | 176.1 | -176.4 | -110.2 | 0 | 0 | 0 | 110.3 | V617 L619 V635 V648 I650 L683 W694 L698 | V617-F633 HydrophobicContact CB-CE2 3.92Å; V617-F633 HydrophobicContact CB-CZ 3.83Å; V617-F633 HydrophobicContact CG1-CE2 4.49Å; V617-F633 HydrophobicContact CG1-CZ 3.89Å; V617-F633 HydrophobicContact CG2-CE2 4.3Å; V617-F633 HydrophobicContact CG2-CZ 4.34Å; L619-F633 HydrophobicContact CB-CD2 4.18Å; L619-F633 HydrophobicContact CD1-CB 3.9Å; L619-F633 HydrophobicContact CD1-CD2 4.24Å; F633-V635 HydrophobicContact CD1-CG2 4.02Å; F633-V635 HydrophobicContact CE1-CG2 3.54Å; F633-V635 HydrophobicContact CZ-CG2 4.27Å; F633-V648 HydrophobicContact CB-CB 4.38Å; F633-V648 PolarHBondContact N-O 3.13Å; F633-V648 PolarHBondContact O-N 3.29Å; F633-I650 HydrophobicContact CB-CD1 4.34Å; F633-L683 HydrophobicContact CE1-CD1 3.78Å; F633-L683 HydrophobicContact CZ-CD1 4.07Å; F633-W694 HydrophobicContact CE2-CE3 4.3Å; F633-W694 HydrophobicContact CE2-CH2 4.44Å; F633-W694 AromaticContact CE2-CZ3 3.94Å; F633-W694 HydrophobicContact CE2-CZ3 3.94Å; F633-L698 HydrophobicContact CB-CD2 4.44Å; F633-L698 HydrophobicContact CD2-CD2 3.95Å; F633-L698 HydrophobicContact CE2-CD2 4.42Å; F633-L698 HydrophobicContact CG-CD2 4.21Å |
| 634 | F | 93.6 | Very high | 83.4 | Confident | 26 Ų | 26 | 80 Ų | 80 | 11% | 0.114 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.8 | 178.1 | -63.7 | -80.3 | 0 | 0 | 0 | 111.4 | V617 A618 E620 I632 Y636 Y645 L646 Q647 | V617-F634 CarbonylContact C-O 3.5Å; V617-F634 VanDerWaalsContact CA-O 3.27Å; V617-F634 WeakPolarHBondContact CA-O 3.4Å; A618-F634 PolarHBondContact N-O 2.98Å; A618-F634 PolarHBondContact O-N 2.78Å; E620-F634 HydrophobicContact CB-CE2 4.31Å; E620-F634 HydrophobicContact CG-CD2 3.99Å; E620-F634 HydrophobicContact CG-CE2 3.92Å; I632-F634 HydrophobicContact CB-CE2 3.94Å; I632-F634 HydrophobicContact CB-CZ 4.15Å; I632-F634 HydrophobicContact CD1-CZ 4.49Å; I632-F634 HydrophobicContact CG2-CD1 4.45Å; I632-F634 HydrophobicContact CG2-CD2 4.22Å; I632-F634 HydrophobicContact CG2-CE1 3.97Å; I632-F634 HydrophobicContact CG2-CE2 3.73Å; I632-F634 HydrophobicContact CG2-CZ 3.58Å; F634-Y636 HydrophobicContact CB-CE1 4.33Å; F634-Y636 HydrophobicContact CB-CE2 3.8Å; F634-Y645 HydrophobicContact CD1-CD2 4.05Å; F634-Y645 HydrophobicContact CE1-CD2 4.34Å; F634-Y645 HydrophobicContact CE1-CE2 4.46Å; F634-L646 CarbonylContact C-O 3.6Å; F634-L646 WeakPolarHBondContact CA-O 3.38Å; F634-Q647 HydrophobicContact CD1-CB 3.88Å; F634-Q647 HydrophobicContact CE1-CB 3.8Å |
| 635 | V | 92.8 | Very high | 84 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 107.5 | 171.2 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | V615 V617 F633 Y645 L646 L681 | V615-V635 HydrophobicContact CB-CG1 3.82Å; V615-V635 HydrophobicContact CG1-CG1 4.07Å; V615-V635 HydrophobicContact CG2-CG1 3.8Å; V617-V635 HydrophobicContact CG1-CB 4.44Å; V617-V635 HydrophobicContact CG1-CG1 4.25Å; V617-V635 HydrophobicContact CG1-CG2 4.08Å; F633-V635 HydrophobicContact CD1-CG2 4.02Å; F633-V635 HydrophobicContact CE1-CG2 3.54Å; F633-V635 HydrophobicContact CZ-CG2 4.27Å; V635-Y645 CarbonylContact O-C 3.59Å; V635-Y645 VanDerWaalsContact O-CA 3.3Å; V635-Y645 WeakPolarHBondContact O-CA 3.39Å; V635-L646 HydrophobicContact CB-CB 4.37Å; V635-L646 PolarHBondContact N-O 2.83Å; V635-L646 PolarHBondContact O-N 3.27Å; V635-L681 HydrophobicContact CG2-CD2 4.34Å |
| 636 | Y | 91.9 | Very high | 85.1 | Confident | 93 Ų | 93 | 78.6 Ų | 78.6 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127 | 179.8 | -54.7 | -80.5 | 0 | 0 | 0 | 110.8 | V615 G616 A618 F634 K644 | V615-Y636 WeakPolarHBondContact CA-O 3.43Å; V615-Y636 WeakPolarHBondContact CB-O 3.15Å; G616-Y636 PolarHBondContact N-O 3.2Å; G616-Y636 VanDerWaalsContact N-O 3.09Å; G616-Y636 WeakPolarHBondContact O-CD2 3.43Å; G616-Y636 PolarHBondContact O-N 2.98Å; A618-Y636 HydrophobicContact CB-CE2 3.9Å; F634-Y636 HydrophobicContact CB-CE1 4.33Å; F634-Y636 HydrophobicContact CB-CE2 3.8Å; Y636-K644 WeakPolarHBondContact CA-O 3.3Å |
| 637 | Y | 88.8 | Confident | 86.2 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 163.3 | -176.9 | 67.4 | -86.6 | 0 | 0 | 0 | 111.5 | W603 W607 Q639 K644 L646 | W603-Y637 HydrophobicContact CE3-CD1 4.36Å; W603-Y637 HydrophobicContact CE3-CG 4.32Å; W603-Y637 HydrophobicContact CH2-CD1 4.49Å; W603-Y637 HydrophobicContact CH2-CE1 4.3Å; W603-Y637 AromaticContact CZ3-CD1 3.61Å; W603-Y637 HydrophobicContact CZ3-CD1 3.61Å; W603-Y637 HydrophobicContact CZ3-CD2 4.12Å; W603-Y637 AromaticContact CZ3-CE1 3.83Å; W603-Y637 HydrophobicContact CZ3-CE1 3.83Å; W603-Y637 HydrophobicContact CZ3-CE2 4.31Å; W603-Y637 AromaticContact CZ3-CG 3.76Å; W603-Y637 HydrophobicContact CZ3-CG 3.76Å; W607-Y637 AromaticContact CH2-CD2 3.65Å; W607-Y637 HydrophobicContact CH2-CD2 3.65Å; W607-Y637 AromaticContact CH2-CE2 3.6Å; W607-Y637 HydrophobicContact CH2-CE2 3.6Å; W607-Y637 HydrophobicContact CZ3-CD2 4.36Å; W607-Y637 AromaticContact CZ3-CE2 3.99Å; W607-Y637 HydrophobicContact CZ3-CE2 3.99Å; Y637-Q639 HydrophobicContact CD2-CB 4.12Å; Y637-Q639 HydrophobicContact CE2-CB 3.91Å; Y637-K644 HydrophobicContact CD1-CB 4.33Å; Y637-K644 HydrophobicContact CD2-CB 4.21Å; Y637-K644 HydrophobicContact CE1-CB 3.83Å; Y637-K644 HydrophobicContact CE2-CB 3.7Å; Y637-K644 HydrophobicContact CE2-CD 4.22Å; Y637-K644 HydrophobicContact CE2-CG 4.43Å; Y637-K644 VanDerWaalsContact CZ-CB 3.49Å; Y637-K644 PolarHBondContact N-O 2.86Å; Y637-K644 PolarHBondContact O-N 2.86Å; Y637-K644 VanDerWaalsContact O-O 3.05Å; Y637-L646 HydrophobicContact CE1-CB 4.49Å |
| 638 | T | 84.7 | Confident | 87.3 | Confident | 76 Ų | 76 | 75.8 Ų | 75.8 | 47% | 0.466 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.7 | 175.3 | -52.7 | 0 | 0 | 0 | 0 | 110 | E642 | T638-E642 WeakPolarHBondContact CA-O 3.28Å |
| 639 | Q | 80.9 | Confident | 88.3 | Confident | 37 Ų | 37 | 70.4 Ų | 70.4 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 117.8 | 179.7 | -173 | -161.7 | 64.6 | 0 | 0 | 109.1 | W607 Y637 D641 E642 K644 | W607-Q639 HydrophobicContact CH2-CG 4.46Å; W607-Q639 HydrophobicContact CZ2-CB 4.25Å; W607-Q639 HydrophobicContact CZ2-CG 3.86Å; Y637-Q639 HydrophobicContact CD2-CB 4.12Å; Y637-Q639 HydrophobicContact CE2-CB 3.91Å; Q639-D641 VanDerWaalsContact C-N 3.28Å; Q639-D641 PolarHBondContact O-N 2.95Å; Q639-E642 PolarHBondContact N-O 2.87Å; Q639-E642 WeakPolarHBondContact O-CB 3.35Å; Q639-E642 PolarHBondContact O-N 3.48Å; Q639-K644 HydrophobicContact CB-CD 4.33Å |
| 640 | Y | 81.2 | Confident | 88.7 | Confident | 194 Ų | 194 | 67.6 Ų | 67.6 | 76% | 0.761 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 45.3 | -171.9 | -48.4 | -65.3 | 0 | 0 | 0 | 112.4 | E642 | Y640-E642 PolarHBondContact O-N 3.41Š|
| 641 | D | 81.3 | Confident | 88.9 | Confident | 153 Ų | 153 | 68.4 Ų | 68.4 | 82% | 0.818 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -5.3 | -174.7 | -58 | -29.9 | 0 | 0 | 0 | 116.8 | Q639 | Q639-D641 VanDerWaalsContact C-N 3.28Å; Q639-D641 PolarHBondContact O-N 2.95Å |
| 642 | E | 85.8 | Confident | 88.9 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.1 | 166.7 | -58.4 | -176.6 | 132.6 | 0 | 0 | 111 | T638 Q639 Y640 K644 | T638-E642 WeakPolarHBondContact CA-O 3.28Å; Q639-E642 PolarHBondContact N-O 2.87Å; Q639-E642 WeakPolarHBondContact O-CB 3.35Å; Q639-E642 PolarHBondContact O-N 3.48Å; Y640-E642 PolarHBondContact O-N 3.41Å; E642-K644 HydrophobicContact CB-CG 4.45Å; E642-K644 WeakPolarHBondContact OE2-CE 3.03Å; E642-K644 IonicContact OE2-NZ 2.81Å; E642-K644 PolarHBondContact OE2-NZ 3.41Å |
| 643 | K | 86.4 | Confident | 88.9 | Confident | 191 Ų | 191 | 70.3 Ų | 70.3 | 83% | 0.83 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 120.9 | 168.8 | -67.9 | -178 | -179.5 | 178.8 | 0 | 109.6 | ||
| 644 | K | 90.2 | Very high | 88.8 | Confident | 60 Ų | 60 | 70.5 Ų | 70.5 | 26% | 0.261 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 166 | 179.2 | -61.2 | -174.8 | -171.5 | -179.1 | 0 | 110 | Y636 Y637 Q639 E642 | Y636-K644 WeakPolarHBondContact CA-O 3.3Å; Y637-K644 HydrophobicContact CD1-CB 4.33Å; Y637-K644 HydrophobicContact CD2-CB 4.21Å; Y637-K644 HydrophobicContact CE1-CB 3.83Å; Y637-K644 HydrophobicContact CE2-CB 3.7Å; Y637-K644 HydrophobicContact CE2-CD 4.22Å; Y637-K644 HydrophobicContact CE2-CG 4.43Å; Y637-K644 VanDerWaalsContact CZ-CB 3.49Å; Y637-K644 PolarHBondContact N-O 2.86Å; Y637-K644 PolarHBondContact O-N 2.86Å; Y637-K644 VanDerWaalsContact O-O 3.05Å; Q639-K644 HydrophobicContact CB-CD 4.33Å; E642-K644 HydrophobicContact CB-CG 4.45Å; E642-K644 WeakPolarHBondContact OE2-CE 3.03Å; E642-K644 IonicContact OE2-NZ 2.81Å; E642-K644 PolarHBondContact OE2-NZ 3.41Å |
| 645 | Y | 89.1 | Confident | 88.7 | Confident | 140 Ų | 140 | 69.2 Ų | 69.2 | 55% | 0.549 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.6 | 173.3 | 60.7 | -85.4 | 0 | 0 | 0 | 110.4 | F634 V635 | F634-Y645 HydrophobicContact CD1-CD2 4.05Å; F634-Y645 HydrophobicContact CE1-CD2 4.34Å; F634-Y645 HydrophobicContact CE1-CE2 4.46Å; V635-Y645 CarbonylContact O-C 3.59Å; V635-Y645 VanDerWaalsContact O-CA 3.3Å; V635-Y645 WeakPolarHBondContact O-CA 3.39Å |
| 646 | L | 89.9 | Confident | 88.6 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.5 | 160 | 176.9 | 66.4 | 0 | 0 | 0 | 106.9 | F634 V635 Y637 V648 L681 | F634-L646 CarbonylContact C-O 3.6Å; F634-L646 WeakPolarHBondContact CA-O 3.38Å; V635-L646 HydrophobicContact CB-CB 4.37Å; V635-L646 PolarHBondContact N-O 2.83Å; V635-L646 PolarHBondContact O-N 3.27Å; Y637-L646 HydrophobicContact CE1-CB 4.49Å; L646-V648 HydrophobicContact CD2-CG2 4.42Å; L646-V648 HydrophobicContact CG-CG2 4.39Å; L646-L681 HydrophobicContact CD2-CD1 3.93Å; L646-L681 HydrophobicContact CD2-CD2 3.94Å |
| 647 | Q | 91.5 | Very high | 88.5 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 41% | 0.407 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.3 | 170.5 | 69.6 | -169.2 | 11.9 | 0 | 0 | 108.9 | I632 F634 F649 | I632-Q647 HydrophobicContact CG2-CB 4.21Å; F634-Q647 HydrophobicContact CD1-CB 3.88Å; F634-Q647 HydrophobicContact CE1-CB 3.8Å; Q647-F649 HydrophobicContact CG-CE2 4.11Å; Q647-F649 HydrophobicContact CG-CZ 4.32Å |
| 648 | V | 91.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 116.5 | 175.1 | 178 | 0 | 0 | 0 | 0 | 107.1 | F633 L646 V653 V669 T671 L681 | F633-V648 HydrophobicContact CB-CB 4.38Å; F633-V648 PolarHBondContact N-O 3.13Å; F633-V648 PolarHBondContact O-N 3.29Å; L646-V648 HydrophobicContact CD2-CG2 4.42Å; L646-V648 HydrophobicContact CG-CG2 4.39Å; V648-V653 HydrophobicContact CG1-CG2 3.62Å; V648-V669 HydrophobicContact CG1-CG1 4.35Å; V648-T671 HydrophobicContact CG1-CG2 3.76Å; V648-L681 HydrophobicContact CG2-CD2 3.96Å |
| 649 | F | 91.4 | Very high | 88.1 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 133.3 | 177.7 | -57.1 | -88.9 | 0 | 0 | 0 | 109.8 | I632 Q647 N651 E652 V653 | I632-F649 HydrophobicContact CD1-CD1 3.98Å; I632-F649 HydrophobicContact CD1-CE1 3.76Å; I632-F649 HydrophobicContact CG1-CD1 3.86Å; I632-F649 HydrophobicContact CG1-CE1 4.17Å; I632-F649 HydrophobicContact CG2-CD1 4.35Å; Q647-F649 HydrophobicContact CG-CE2 4.11Å; Q647-F649 HydrophobicContact CG-CZ 4.32Å; F649-N651 WeakPolarHBondContact CB-OD1 3.49Å; F649-N651 PolarHBondContact O-N 3.06Å; F649-E652 HydrophobicContact CB-CG 4.14Å; F649-E652 WeakPolarHBondContact CD2-OE2 3.28Å; F649-E652 WeakPolarHBondContact O-CB 3.44Å; F649-E652 PolarHBondContact O-N 2.98Å; F649-V653 PolarHBondContact O-N 2.94Å |
| 650 | I | 91.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.4 | -172 | -69.4 | -63.7 | 0 | 0 | 0 | 113.3 | L619 S631 F633 V653 L698 C701 C702 R706 | L619-I650 HydrophobicContact CD1-CD1 4.03Å; L619-I650 HydrophobicContact CD1-CG1 3.97Å; S631-I650 WeakPolarHBondContact O-CB 3.23Å; S631-I650 VanDerWaalsContact O-CG1 3.3Å; S631-I650 WeakPolarHBondContact O-CG1 3.43Å; S631-I650 PolarHBondContact O-N 3.03Å; F633-I650 HydrophobicContact CB-CD1 4.34Å; I650-V653 HydrophobicContact CD1-CG2 4.25Å; I650-L698 HydrophobicContact CD1-CD2 3.84Å; I650-C701 VanDerWaalsContact CG2-C 3.5Å; I650-C701 HydrophobicContact CG2-CB 3.95Å; I650-C701 WeakPolarHBondContact CG2-O 3.39Å; I650-C702 HydrophobicContact CG2-CB 4.36Å; I650-R706 PolarHBondContact O-NH1 2.72Å |
| 651 | N | 87.8 | Confident | 86.6 | Confident | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -25.6 | 169.3 | 65.5 | -36.7 | 0 | 0 | 0 | 113.5 | F649 W705 R706 | F649-N651 WeakPolarHBondContact CB-OD1 3.49Å; F649-N651 PolarHBondContact O-N 3.06Å; N651-W705 HydrophobicContact CB-CD2 3.52Å; N651-W705 VanDerWaalsContact CB-CE2 3.43Å; N651-W705 HydrophobicContact CB-CE3 3.57Å; N651-W705 HydrophobicContact CB-CG 4.32Å; N651-W705 HydrophobicContact CB-CH2 3.54Å; N651-W705 HydrophobicContact CB-CZ2 3.45Å; N651-W705 VanDerWaalsContact CB-CZ2 3.45Å; N651-W705 HydrophobicContact CB-CZ3 3.59Å; N651-R706 PolarHBondContact O-NH2 3.11Å |
| 652 | E | 90.3 | Very high | 85.6 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 42% | 0.416 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.1 | 176.5 | -64.8 | 174.9 | 170.3 | 0 | 0 | 112.8 | F649 T654 T671 A672 | F649-E652 HydrophobicContact CB-CG 4.14Å; F649-E652 WeakPolarHBondContact CD2-OE2 3.28Å; F649-E652 WeakPolarHBondContact O-CB 3.44Å; F649-E652 PolarHBondContact O-N 2.98Å; E652-T654 PolarHBondContact O-N 3.14Å; E652-T671 HydrophobicContact CB-CG2 4.38Å; E652-T671 WeakPolarHBondContact O-CA 3.23Å; E652-T671 WeakPolarHBondContact O-CB 3.39Å; E652-A672 PolarHBondContact O-N 2.8Å |
| 653 | V | 92.3 | Very high | 84.5 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 122.2 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | V648 F649 I650 L656 V669 Y670 T671 R706 F748 | V648-V653 HydrophobicContact CG1-CG2 3.62Å; F649-V653 PolarHBondContact O-N 2.94Å; I650-V653 HydrophobicContact CD1-CG2 4.25Å; V653-L656 HydrophobicContact CG1-CD2 4.01Å; V653-L656 HydrophobicContact CG1-CG 4.05Å; V653-V669 HydrophobicContact CG1-CG1 4.21Å; V653-V669 HydrophobicContact CG2-CG1 3.99Å; V653-Y670 CarbonylContact C-O 3.54Å; V653-Y670 VanDerWaalsContact CA-O 3.3Å; V653-Y670 WeakPolarHBondContact CA-O 3.38Å; V653-T671 HydrophobicContact CG2-CG2 4.4Å; V653-R706 PolarHBondContact O-NH2 2.86Å; V653-F748 WeakPolarHBondContact O-CD2 3.34Å |
| 654 | T | 91.5 | Very high | 83.9 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -25.5 | -174.7 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | E652 Y670 T671 A672 D745 M747 F748 W749 | E652-T654 PolarHBondContact O-N 3.14Å; T654-Y670 PolarHBondContact N-O 2.9Å; T654-Y670 PolarHBondContact OG1-O 2.89Å; T654-T671 VanDerWaalsContact OG1-C 3.31Å; T654-T671 WeakPolarHBondContact OG1-CA 3.49Å; T654-A672 HydrophobicContact CG2-CB 4.3Å; T654-D745 VanDerWaalsContact CG2-O 3.25Å; T654-D745 WeakPolarHBondContact CG2-O 3.48Å; T654-M747 WeakPolarHBondContact CB-O 3.28Å; T654-F748 CarbonylContact O-C 3.53Å; T654-F748 VanDerWaalsContact O-CA 3.31Å; T654-F748 WeakPolarHBondContact O-CA 3.2Å; T654-W749 PolarHBondContact O-N 3.31Å |
| 655 | A | 92.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 154.3 | 167 | 0 | 0 | 0 | 0 | 0 | 112.3 | V657 Y670 W749 I1113 | A655-V657 HydrophobicContact CB-CG2 4.07Å; A655-Y670 HydrophobicContact CB-CD2 4Å; A655-Y670 HydrophobicContact CB-CG 4.31Å; A655-Y670 PolarHBondContact O-N 2.84Å; A655-W749 HydrophobicContact CB-CB 4.28Å; A655-I1113 HydrophobicContact CB-CD1 3.33Å |
| 656 | L | 91.6 | Very high | 83.6 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.068 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.6 | 169.7 | -64.1 | 168.6 | 0 | 0 | 0 | 106.7 | V653 V669 L695 L698 | V653-L656 HydrophobicContact CG1-CD2 4.01Å; V653-L656 HydrophobicContact CG1-CG 4.05Å; L656-V669 HydrophobicContact CD2-CB 4.26Å; L656-V669 HydrophobicContact CD2-CG1 3.99Å; L656-V669 HydrophobicContact CD2-CG2 3.86Å; L656-L695 HydrophobicContact CB-CD2 3.95Å; L656-L698 HydrophobicContact CD1-CB 3.57Å; L656-L698 HydrophobicContact CD2-CB 4.32Å; L656-L698 HydrophobicContact CD2-CD1 4.43Å |
| 657 | V | 88.4 | Confident | 83.6 | Confident | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.9 | -170.4 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | A655 V659 F667 A668 Y670 M727 | A655-V657 HydrophobicContact CB-CG2 4.07Å; V657-V659 PolarHBondContact O-N 3.48Å; V657-F667 CarbonylContact O-C 3.41Å; V657-F667 WeakPolarHBondContact O-CA 3.39Å; V657-A668 PolarHBondContact N-O 2.92Å; V657-A668 PolarHBondContact O-N 3.27Å; V657-Y670 HydrophobicContact CB-CE2 4.23Å; V657-Y670 HydrophobicContact CG2-CD2 4.2Å; V657-Y670 HydrophobicContact CG2-CE2 3.92Å; V657-M727 HydrophobicContact CG2-CE 4.47Å |
| 658 | P | 84.9 | Confident | 83.6 | Confident | 22 Ų | 22 | 41.2 Ų | 41.2 | 14% | 0.143 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 121.4 | 170.7 | -23.5 | 34.4 | 0 | 0 | 0 | 111.3 | L695 K723 | P658-L695 HydrophobicContact CG-CD1 4.14Å; P658-K723 PolarHBondContact O-NZ 3.29Å |
| 659 | V | 80.1 | Confident | 83.6 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 162.4 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 108 | V657 Q661 T666 A668 | V657-V659 PolarHBondContact O-N 3.48Å; V659-Q661 HydrophobicContact CG1-CB 4.41Å; V659-T666 WeakPolarHBondContact CB-OG1 3.36Å; V659-T666 PolarHBondContact N-O 2.93Å; V659-T666 VanDerWaalsContact O-O 3.06Å; V659-T666 PolarHBondContact O-OG1 2.76Å; V659-A668 HydrophobicContact CG2-CB 3.59Å |
| 660 | L | 65.4 | Low | 83.7 | Confident | 90 Ų | 90 | 39.1 Ų | 39.1 | 47% | 0.471 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 108.1 | 175.5 | -151.9 | 138.4 | 0 | 0 | 0 | 109 | P852 | L660-P852 WeakPolarHBondContact CD1-O 3.43Å |
| 661 | Q | 66.7 | Low | 83.8 | Confident | 46 Ų | 46 | 39.5 Ų | 39.5 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 123.8 | -169.1 | -175.3 | 175.6 | 8 | 0 | 0 | 109.5 | V659 C663 H664 | V659-Q661 HydrophobicContact CG1-CB 4.41Å; Q661-C663 VanDerWaalsContact C-N 3.31Å; Q661-C663 PolarHBondContact O-N 3.47Å; Q661-H664 PolarHBondContact O-N 3.41Å |
| 662 | D | 59.2 | Low | 83.8 | Confident | 118 Ų | 118 | 37.3 Ų | 37.3 | 63% | 0.631 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 49.1 | 165.3 | -49.4 | -36.2 | 0 | 0 | 0 | 114.9 | H664 | D662-H664 PolarHBondContact O-N 2.57Å; D662-H664 VanDerWaalsContact O-N 3.16Å; D662-H664 PolarHBondContact O-ND1 2.67Å |
| 663 | C | 61.7 | Low | 83.8 | Confident | 136 Ų | 136 | 39.1 Ų | 39.1 | 92% | 0.919 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 15.2 | -179.7 | -58.7 | 0 | 0 | 0 | 0 | 116.4 | Q661 | Q661-C663 VanDerWaalsContact C-N 3.31Å; Q661-C663 PolarHBondContact O-N 3.47Å |
| 664 | H | 74.5 | Confident | 83.6 | Confident | 58 Ų | 58 | 40.4 Ų | 40.4 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 143.8 | 174.4 | -69.1 | 69.4 | 0 | 0 | 0 | 111.6 | Q661 D662 T666 A684 | Q661-H664 PolarHBondContact O-N 3.41Å; D662-H664 PolarHBondContact O-N 2.57Å; D662-H664 VanDerWaalsContact O-N 3.16Å; D662-H664 PolarHBondContact O-ND1 2.67Å; H664-T666 HydrophobicContact CB-CG2 3.81Å; H664-T666 PolarHBondContact O-N 2.86Å; H664-A684 HydrophobicContact CB-CB 4.2Å |
| 665 | Y | 84.9 | Confident | 83.4 | Confident | 99 Ų | 99 | 40.3 Ų | 40.3 | 39% | 0.388 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 85.2 | 173 | -60.3 | -75.4 | 0 | 0 | 0 | 109.8 | A684 A685 G688 M691 P854 | Y665-A684 CarbonylContact O-C 3.44Å; Y665-A684 WeakPolarHBondContact O-CA 3.46Å; Y665-A685 PolarHBondContact O-N 3.36Å; Y665-G688 VanDerWaalsContact CG-N 3.33Å; Y665-M691 VanDerWaalsContact C-SD 3.55Å; Y665-P854 HydrophobicContact CE1-CG 4.25Å |
| 666 | T | 88.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 151.6 | -169.7 | 44.2 | 0 | 0 | 0 | 0 | 114.5 | W612 V659 H664 I682 L683 A684 | W612-T666 HydrophobicContact CH2-CG2 3.45Å; W612-T666 VanDerWaalsContact CH2-CG2 3.45Å; W612-T666 HydrophobicContact CZ2-CG2 3.87Å; W612-T666 HydrophobicContact CZ3-CG2 4.39Å; V659-T666 WeakPolarHBondContact CB-OG1 3.36Å; V659-T666 PolarHBondContact N-O 2.93Å; V659-T666 VanDerWaalsContact O-O 3.06Å; V659-T666 PolarHBondContact O-OG1 2.76Å; H664-T666 HydrophobicContact CB-CG2 3.81Å; H664-T666 PolarHBondContact O-N 2.86Å; T666-I682 HydrophobicContact CG2-CG2 4.5Å; T666-L683 CarbonylContact C-O 3.55Å; T666-L683 WeakPolarHBondContact CA-O 3.28Å; T666-A684 HydrophobicContact CG2-CB 3.63Å |
| 667 | F | 90.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 149.1 | 168.5 | 66.1 | -80.3 | 0 | 0 | 0 | 111.2 | L601 V657 V669 L683 M691 W694 L695 L698 | L601-F667 HydrophobicContact CD1-CE1 4.23Å; L601-F667 HydrophobicContact CD1-CZ 4.03Å; V657-F667 CarbonylContact O-C 3.41Å; V657-F667 WeakPolarHBondContact O-CA 3.39Å; F667-V669 HydrophobicContact CD2-CG2 3.99Å; F667-V669 HydrophobicContact CE2-CG2 3.76Å; F667-L683 HydrophobicContact CD1-CB 4.38Å; F667-L683 HydrophobicContact CE1-CB 3.94Å; F667-L683 HydrophobicContact CE2-CB 4.36Å; F667-L683 HydrophobicContact CE2-CD1 4.09Å; F667-L683 HydrophobicContact CZ-CB 3.93Å; F667-L683 HydrophobicContact CZ-CD1 3.93Å; F667-L683 PolarHBondContact N-O 2.97Å; F667-L683 PolarHBondContact O-N 3.11Å; F667-M691 HydrophobicContact CD1-CG 3.99Å; F667-W694 HydrophobicContact CZ-CB 4.48Å; F667-L695 HydrophobicContact CB-CD1 4.27Å; F667-L695 HydrophobicContact CB-CD2 3.92Å; F667-L695 HydrophobicContact CB-CG 4.31Å; F667-L695 HydrophobicContact CD2-CD2 3.81Å; F667-L695 HydrophobicContact CD2-CG 4.41Å; F667-L695 HydrophobicContact CG-CD2 3.99Å; F667-L695 HydrophobicContact CG-CG 4.26Å; F667-L698 HydrophobicContact CE2-CD1 4.04Å |
| 668 | A | 90.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | V657 V659 Y670 P680 | V657-A668 PolarHBondContact N-O 2.92Å; V657-A668 PolarHBondContact O-N 3.27Å; V659-A668 HydrophobicContact CG2-CB 3.59Å; A668-Y670 HydrophobicContact CB-CD2 4.17Å; A668-Y670 HydrophobicContact CB-CE2 3.63Å; A668-P680 HydrophobicContact CB-CB 4.01Å; A668-P680 HydrophobicContact CB-CG 4.39Å |
| 669 | V | 93.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 114.4 | 166.7 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | V648 V653 L656 F667 L681 L683 | V648-V669 HydrophobicContact CG1-CG1 4.35Å; V653-V669 HydrophobicContact CG1-CG1 4.21Å; V653-V669 HydrophobicContact CG2-CG1 3.99Å; L656-V669 HydrophobicContact CD2-CB 4.26Å; L656-V669 HydrophobicContact CD2-CG1 3.99Å; L656-V669 HydrophobicContact CD2-CG2 3.86Å; F667-V669 HydrophobicContact CD2-CG2 3.99Å; F667-V669 HydrophobicContact CE2-CG2 3.76Å; V669-L681 HydrophobicContact CB-CB 4.25Å; V669-L681 PolarHBondContact N-O 3.38Å; V669-L681 PolarHBondContact O-N 2.83Å; V669-L683 HydrophobicContact CG2-CD1 4.39Å |
| 670 | Y | 92.4 | Very high | 83.4 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 9% | 0.09 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.4 | 173 | -68.6 | -96.8 | 0 | 0 | 0 | 109.6 | V653 T654 A655 V657 A668 P680 I1113 | V653-Y670 CarbonylContact C-O 3.54Å; V653-Y670 VanDerWaalsContact CA-O 3.3Å; V653-Y670 WeakPolarHBondContact CA-O 3.38Å; T654-Y670 PolarHBondContact N-O 2.9Å; T654-Y670 PolarHBondContact OG1-O 2.89Å; A655-Y670 HydrophobicContact CB-CD2 4Å; A655-Y670 HydrophobicContact CB-CG 4.31Å; A655-Y670 PolarHBondContact O-N 2.84Å; V657-Y670 HydrophobicContact CB-CE2 4.23Å; V657-Y670 HydrophobicContact CG2-CD2 4.2Å; V657-Y670 HydrophobicContact CG2-CE2 3.92Å; A668-Y670 HydrophobicContact CB-CD2 4.17Å; A668-Y670 HydrophobicContact CB-CE2 3.63Å; Y670-P680 HydrophobicContact CD1-CB 3.87Å; Y670-P680 HydrophobicContact CD1-CG 4.5Å; Y670-P680 HydrophobicContact CD2-CB 4.27Å; Y670-P680 HydrophobicContact CE1-CB 3.66Å; Y670-P680 HydrophobicContact CE1-CG 3.83Å; Y670-P680 HydrophobicContact CE2-CB 4.11Å; Y670-P680 HydrophobicContact CG-CB 4.16Å; Y670-I1113 HydrophobicContact CD1-CD1 4.04Å; Y670-I1113 HydrophobicContact CD1-CG1 4.27Å; Y670-I1113 HydrophobicContact CD2-CD1 3.97Å; Y670-I1113 HydrophobicContact CE1-CD1 4.29Å; Y670-I1113 HydrophobicContact CE1-CG1 4.25Å; Y670-I1113 HydrophobicContact CE2-CD1 4.21Å; Y670-I1113 HydrophobicContact CG-CD1 3.89Å |
| 671 | T | 93.1 | Very high | 84.6 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 162.1 | 163.8 | 64 | 0 | 0 | 0 | 0 | 108.9 | V648 E652 V653 T654 E673 R674 T675 | V648-T671 HydrophobicContact CG1-CG2 3.76Å; E652-T671 HydrophobicContact CB-CG2 4.38Å; E652-T671 WeakPolarHBondContact O-CA 3.23Å; E652-T671 WeakPolarHBondContact O-CB 3.39Å; V653-T671 HydrophobicContact CG2-CG2 4.4Å; T654-T671 VanDerWaalsContact OG1-C 3.31Å; T654-T671 WeakPolarHBondContact OG1-CA 3.49Å; T671-E673 VanDerWaalsContact C-N 3.3Å; T671-E673 PolarHBondContact O-N 2.87Å; T671-R674 CarbonylContact O-C 3.59Å; T671-R674 PolarHBondContact O-N 3.03Å; T671-R674 PolarHBondContact OG1-N 2.96Å; T671-T675 PolarHBondContact O-N 2.87Å; T671-T675 PolarHBondContact O-OG1 3.01Å |
| 672 | A | 88.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -46.9 | -50.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E652 T654 T675 K676 D745 L746 | E652-A672 PolarHBondContact O-N 2.8Å; T654-A672 HydrophobicContact CG2-CB 4.3Å; A672-T675 PolarHBondContact O-N 2.84Å; A672-K676 PolarHBondContact O-N 3.32Å; A672-K676 VanDerWaalsContact O-N 3.14Å; A672-D745 WeakPolarHBondContact CB-OD2 3.39Å; A672-L746 HydrophobicContact CB-CD2 3.78Å |
| 673 | E | 88.9 | Confident | 87.4 | Confident | 128 Ų | 128 | 43.4 Ų | 43.4 | 60% | 0.598 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -63 | -44.9 | 176.3 | -170.4 | -173.7 | -179.8 | 0 | 0 | 112.4 | T671 T675 K676 Q677 | T671-E673 VanDerWaalsContact C-N 3.3Å; T671-E673 PolarHBondContact O-N 2.87Å; E673-T675 VanDerWaalsContact C-N 3.3Å; E673-T675 PolarHBondContact O-N 2.83Å; E673-K676 PolarHBondContact O-N 2.77Å; E673-Q677 HydrophobicContact CG-CG 4.49Å; E673-Q677 WeakPolarHBondContact O-CG 3.5Å; E673-Q677 PolarHBondContact O-N 3.07Å; E673-Q677 PolarHBondContact OE1-NE2 3.42Å |
| 674 | R | 88.9 | Confident | 88.9 | Confident | 28 Ų | 28 | 37 Ų | 37 | 11% | 0.106 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.6 | -27.5 | 180 | -75.9 | -175.5 | 172.4 | -95.5 | -0.1 | 113.3 | D606 T671 R678 W679 | D606-R674 IonicContact OD1-NH1 2.67Å; D606-R674 IonicContact OD2-CZ 3.99Å; D606-R674 IonicContact OD2-NH1 3.61Å; D606-R674 PolarHBondContact OD2-NH1 3.35Å; D606-R674 IonicContact OD2-NH2 2.81Å; D606-R674 PolarHBondContact OD2-NH2 3.48Å; T671-R674 CarbonylContact O-C 3.59Å; T671-R674 PolarHBondContact O-N 3.03Å; T671-R674 PolarHBondContact OG1-N 2.96Å; R674-R678 PolarHBondContact O-N 2.89Å; R674-W679 WeakPolarHBondContact CB-O 3.48Å; R674-W679 WeakPolarHBondContact CD-O 3.31Å; R674-W679 WeakPolarHBondContact CG-O 3.47Å; R674-W679 PolarHBondContact NH1-O 2.8Å; R674-W679 PolarHBondContact O-N 2.75Å |
| 675 | T | 88 | Confident | 89.7 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.9 | -46 | 169.5 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | T671 A672 E673 Q677 R678 D745 | T671-T675 PolarHBondContact O-N 2.87Å; T671-T675 PolarHBondContact O-OG1 3.01Å; A672-T675 PolarHBondContact O-N 2.84Å; E673-T675 VanDerWaalsContact C-N 3.3Å; E673-T675 PolarHBondContact O-N 2.83Å; T675-Q677 VanDerWaalsContact C-N 3.31Å; T675-Q677 PolarHBondContact O-N 3.3Å; T675-R678 WeakPolarHBondContact O-CD 3.24Å; T675-R678 PolarHBondContact O-N 3.41Å; T675-R678 VanDerWaalsContact O-N 3.15Å; T675-R678 PolarHBondContact O-NE 2.95Å; T675-D745 HydrophobicContact CG2-CB 4.21Å |
| 676 | K | 86.2 | Confident | 89.7 | Confident | 124 Ų | 124 | 34.2 Ų | 34.2 | 54% | 0.539 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 173.7 | -65.3 | -172.4 | -166.4 | -160.8 | 0 | 112.8 | A672 E673 R678 D745 | A672-K676 PolarHBondContact O-N 3.32Å; A672-K676 VanDerWaalsContact O-N 3.14Å; E673-K676 PolarHBondContact O-N 2.77Å; K676-R678 VanDerWaalsContact C-N 3.26Å; K676-R678 PolarHBondContact O-N 3.46Å; K676-D745 WeakPolarHBondContact CE-OD1 3.43Å; K676-D745 WeakPolarHBondContact CE-OD2 3.49Å; K676-D745 HydrophobicContact CG-CB 4.04Å; K676-D745 VanDerWaalsContact NZ-CG 3.26Å; K676-D745 IonicContact NZ-OD1 3.75Å; K676-D745 PolarHBondContact NZ-OD1 2.88Å; K676-D745 IonicContact NZ-OD2 2.74Å; K676-D745 PolarHBondContact NZ-OD2 2.86Å |
| 677 | Q | 87.1 | Confident | 89.7 | Confident | 98 Ų | 98 | 35.8 Ų | 35.8 | 46% | 0.458 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.8 | 178.4 | -68.4 | 176.3 | 6.1 | 0 | 0 | 113.9 | E673 T675 W679 | E673-Q677 HydrophobicContact CG-CG 4.49Å; E673-Q677 WeakPolarHBondContact O-CG 3.5Å; E673-Q677 PolarHBondContact O-N 3.07Å; E673-Q677 PolarHBondContact OE1-NE2 3.42Å; T675-Q677 VanDerWaalsContact C-N 3.31Å; T675-Q677 PolarHBondContact O-N 3.3Å; Q677-W679 HydrophobicContact CB-CB 4.38Å; Q677-W679 PolarHBondContact O-N 2.91Å |
| 678 | R | 86.9 | Confident | 89.4 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.5 | -173.8 | -53.4 | -66 | 163.6 | 177.8 | -15.6 | 112.8 | R674 T675 K676 F1085 E1088 Y1111 G1112 | R674-R678 PolarHBondContact O-N 2.89Å; T675-R678 WeakPolarHBondContact O-CD 3.24Å; T675-R678 PolarHBondContact O-N 3.41Å; T675-R678 VanDerWaalsContact O-N 3.15Å; T675-R678 PolarHBondContact O-NE 2.95Å; K676-R678 VanDerWaalsContact C-N 3.26Å; K676-R678 PolarHBondContact O-N 3.46Å; R678-F1085 HydrophobicContact CB-CD1 3.8Å; R678-F1085 HydrophobicContact CB-CE1 3.91Å; R678-F1085 HydrophobicContact CB-CG 4.33Å; R678-F1085 HydrophobicContact CG-CB 4.47Å; R678-F1085 HydrophobicContact CG-CD1 3.69Å; R678-F1085 HydrophobicContact CG-CD2 3.98Å; R678-F1085 HydrophobicContact CG-CE1 3.76Å; R678-F1085 HydrophobicContact CG-CE2 4.05Å; R678-F1085 HydrophobicContact CG-CG 3.8Å; R678-F1085 HydrophobicContact CG-CZ 3.94Å; R678-E1088 WeakPolarHBondContact CD-OE1 3.36Å; R678-E1088 WeakPolarHBondContact CD-OE2 3.39Å; R678-E1088 IonicContact NH1-OE1 2.93Å; R678-E1088 PolarHBondContact NH1-OE1 2.94Å; R678-E1088 IonicContact NH1-OE2 3.52Å; R678-Y1111 PolarHBondContact NH2-O 3.22Å; R678-G1112 VanDerWaalsContact CZ-O 3.27Å; R678-G1112 PolarHBondContact NH1-O 2.89Å; R678-G1112 PolarHBondContact NH2-O 3.14Å |
| 679 | W | 85.9 | Confident | 89.2 | Confident | 96 Ų | 96 | 43.7 Ų | 43.7 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | trans | -138.8 | 74.5 | -172.5 | -158.9 | -87.9 | 0 | 0 | 0 | 113.1 | D606 Q610 R674 Q677 | D606-W679 VanDerWaalsContact CG-NE1 3.25Å; D606-W679 PolarHBondContact OD1-NE1 3.26Å; Q610-W679 VanDerWaalsContact NE2-CZ2 3.29Å; R674-W679 WeakPolarHBondContact CB-O 3.48Å; R674-W679 WeakPolarHBondContact CD-O 3.31Å; R674-W679 WeakPolarHBondContact CG-O 3.47Å; R674-W679 PolarHBondContact NH1-O 2.8Å; R674-W679 PolarHBondContact O-N 2.75Å; Q677-W679 HydrophobicContact CB-CB 4.38Å; Q677-W679 PolarHBondContact O-N 2.91Å | ||
| 680 | P | 90.4 | Very high | 89 | Confident | 22 Ų | 22 | 47.1 Ų | 47.1 | 14% | 0.143 | 23% | 0.233 | C | C | . | . | trans | -63.7 | 156.9 | 178.8 | 27.2 | -35.2 | 0 | 0 | 0 | 113.1 | A668 Y670 I682 | A668-P680 HydrophobicContact CB-CB 4.01Å; A668-P680 HydrophobicContact CB-CG 4.39Å; Y670-P680 HydrophobicContact CD1-CB 3.87Å; Y670-P680 HydrophobicContact CD1-CG 4.5Å; Y670-P680 HydrophobicContact CD2-CB 4.27Å; Y670-P680 HydrophobicContact CE1-CB 3.66Å; Y670-P680 HydrophobicContact CE1-CG 3.83Å; Y670-P680 HydrophobicContact CE2-CB 4.11Å; Y670-P680 HydrophobicContact CG-CB 4.16Å; P680-I682 HydrophobicContact CG-CG1 4.43Å; P680-I682 PolarHBondContact O-N 3.35Å | ||
| 681 | L | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 103 | 173.3 | 173.9 | 65.1 | 0 | 0 | 0 | 109.3 | W603 V635 L646 V648 V669 L683 | W603-L681 HydrophobicContact CD2-CD1 4.33Å; W603-L681 HydrophobicContact CG-CD1 4.24Å; W603-L681 HydrophobicContact CZ2-CD1 4.29Å; V635-L681 HydrophobicContact CG2-CD2 4.34Å; L646-L681 HydrophobicContact CD2-CD1 3.93Å; L646-L681 HydrophobicContact CD2-CD2 3.94Å; V648-L681 HydrophobicContact CG2-CD2 3.96Å; V669-L681 HydrophobicContact CB-CB 4.25Å; V669-L681 PolarHBondContact N-O 3.38Å; V669-L681 PolarHBondContact O-N 2.83Å; L681-L683 HydrophobicContact CD1-CD2 4.26Å; L681-L683 HydrophobicContact CD2-CD1 4.42Å; L681-L683 HydrophobicContact CG-CD1 4.48Å; L681-L683 HydrophobicContact CG-CD2 4.31Å; L681-L683 HydrophobicContact CG-CG 4.22Å |
| 682 | I | 91.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.169 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.2 | -178.5 | -53.3 | 174.4 | 0 | 0 | 0 | 110.6 | W604 W612 T666 P680 | W604-I682 HydrophobicContact CB-CB 4.19Å; W604-I682 HydrophobicContact CB-CG2 4.49Å; W604-I682 PolarHBondContact N-O 3.34Å; W604-I682 VanDerWaalsContact N-O 3.09Å; W612-I682 HydrophobicContact CH2-CG2 3.97Å; T666-I682 HydrophobicContact CG2-CG2 4.5Å; P680-I682 HydrophobicContact CG-CG1 4.43Å; P680-I682 PolarHBondContact O-N 3.35Å |
| 683 | L | 93.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 151.2 | 179.2 | -59.5 | 174.8 | 0 | 0 | 0 | 111.1 | L601 R602 W603 F633 T666 F667 V669 L681 | L601-L683 HydrophobicContact CD1-CB 4.3Å; L601-L683 HydrophobicContact CD1-CD1 4.08Å; R602-L683 CarbonylContact O-C 3.55Å; R602-L683 VanDerWaalsContact O-CA 3.22Å; R602-L683 WeakPolarHBondContact O-CA 3.47Å; W603-L683 HydrophobicContact CB-CD2 3.91Å; W603-L683 HydrophobicContact CG-CD2 4.3Å; F633-L683 HydrophobicContact CE1-CD1 3.78Å; F633-L683 HydrophobicContact CZ-CD1 4.07Å; T666-L683 CarbonylContact C-O 3.55Å; T666-L683 WeakPolarHBondContact CA-O 3.28Å; F667-L683 HydrophobicContact CD1-CB 4.38Å; F667-L683 HydrophobicContact CE1-CB 3.94Å; F667-L683 HydrophobicContact CE2-CB 4.36Å; F667-L683 HydrophobicContact CE2-CD1 4.09Å; F667-L683 HydrophobicContact CZ-CB 3.93Å; F667-L683 HydrophobicContact CZ-CD1 3.93Å; F667-L683 PolarHBondContact N-O 2.97Å; F667-L683 PolarHBondContact O-N 3.11Å; V669-L683 HydrophobicContact CG2-CD1 4.39Å; L681-L683 HydrophobicContact CD1-CD2 4.26Å; L681-L683 HydrophobicContact CD2-CD1 4.42Å; L681-L683 HydrophobicContact CG-CD1 4.48Å; L681-L683 HydrophobicContact CG-CD2 4.31Å; L681-L683 HydrophobicContact CG-CG 4.22Å |
| 684 | A | 92.3 | Very high | 88.8 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L601 R602 W612 H664 Y665 T666 | L601-A684 CarbonylContact C-O 3.59Å; L601-A684 WeakPolarHBondContact CA-O 3.46Å; L601-A684 WeakPolarHBondContact CB-O 3.49Å; R602-A684 HydrophobicContact CB-CB 4.22Å; R602-A684 PolarHBondContact N-O 2.92Å; R602-A684 PolarHBondContact O-N 3.19Å; W612-A684 HydrophobicContact CE3-CB 4.33Å; W612-A684 HydrophobicContact CH2-CB 4.04Å; W612-A684 HydrophobicContact CZ3-CB 3.8Å; H664-A684 HydrophobicContact CB-CB 4.2Å; Y665-A684 CarbonylContact O-C 3.44Å; Y665-A684 WeakPolarHBondContact O-CA 3.46Å; T666-A684 HydrophobicContact CG2-CB 3.63Å |
| 685 | A | 90.5 | Very high | 88.9 | Confident | 8 Ų | 8 | 45 Ų | 45 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 153.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L601 Y665 S687 E690 M691 | L601-A685 HydrophobicContact CD2-CB 3.88Å; Y665-A685 PolarHBondContact O-N 3.36Å; A685-S687 PolarHBondContact O-N 2.93Å; A685-E690 HydrophobicContact CB-CB 4.18Å; A685-M691 HydrophobicContact CB-CB 3.87Å |
| 686 | P | 86.8 | Confident | 89 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -71.9 | -19.4 | 175.9 | 30.9 | -35.9 | 0 | 0 | 0 | 112.8 | E690 | P686-E690 VanDerWaalsContact CG-OE2 3.26Å; P686-E690 WeakPolarHBondContact CG-OE2 3.32Å |
| 687 | S | 87.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 45 Ų | 45 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -140.7 | 149.1 | 176 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | A685 K689 E690 M691 | A685-S687 PolarHBondContact O-N 2.93Å; S687-K689 PolarHBondContact O-N 3.2Å; S687-E690 PolarHBondContact O-N 2.81Å; S687-E690 VanDerWaalsContact O-N 3.13Å; S687-E690 WeakPolarHBondContact OG-CB 3.44Å; S687-E690 WeakPolarHBondContact OG-CG 3.47Å; S687-E690 PolarHBondContact OG-N 2.88Å; S687-E690 VanDerWaalsContact OG-N 3.16Å; S687-E690 PolarHBondContact OG-OE1 3.26Å; S687-M691 PolarHBondContact O-N 2.66Å |
| 688 | G | 84.3 | Confident | 89.5 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -22.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y665 N692 | Y665-G688 VanDerWaalsContact CG-N 3.33Å; G688-N692 PolarHBondContact O-N 3.12Å; G688-N692 PolarHBondContact O-OD1 3Å |
| 689 | K | 85.8 | Confident | 89.6 | Confident | 146 Ų | 146 | 40.3 Ų | 40.3 | 64% | 0.635 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68.8 | -50.1 | 170.1 | -166.7 | -158 | 169.6 | -144.7 | 0 | 110.7 | S687 M691 N692 D693 | S687-K689 PolarHBondContact O-N 3.2Å; K689-M691 PolarHBondContact O-N 3.31Å; K689-N692 PolarHBondContact O-N 2.95Å; K689-N692 VanDerWaalsContact O-N 3.15Å; K689-D693 WeakPolarHBondContact CE-OD1 2.89Å; K689-D693 WeakPolarHBondContact CE-OD2 2.9Å; K689-D693 IonicContact NZ-OD2 3.73Å; K689-D693 PolarHBondContact NZ-OD2 2.86Å; K689-D693 VanDerWaalsContact NZ-OD2 3.09Å; K689-D693 WeakPolarHBondContact O-CB 3.46Å; K689-D693 VanDerWaalsContact O-CG 3.29Å; K689-D693 PolarHBondContact O-N 3.09Å |
| 690 | E | 88.9 | Confident | 89.8 | Confident | 75 Ų | 75 | 40.8 Ų | 40.8 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 177.9 | -77.6 | 165.5 | -101.2 | 0 | 0 | 112.8 | A685 P686 S687 W694 | A685-E690 HydrophobicContact CB-CB 4.18Å; P686-E690 VanDerWaalsContact CG-OE2 3.26Å; P686-E690 WeakPolarHBondContact CG-OE2 3.32Å; S687-E690 PolarHBondContact O-N 2.81Å; S687-E690 VanDerWaalsContact O-N 3.13Å; S687-E690 WeakPolarHBondContact OG-CB 3.44Å; S687-E690 WeakPolarHBondContact OG-CG 3.47Å; S687-E690 PolarHBondContact OG-N 2.88Å; S687-E690 VanDerWaalsContact OG-N 3.16Å; S687-E690 PolarHBondContact OG-OE1 3.26Å; E690-W694 WeakPolarHBondContact O-CB 3.31Å; E690-W694 PolarHBondContact O-N 3.46Å |
| 691 | M | 90.1 | Very high | 89.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.8 | -51.3 | 171.5 | -167 | -171 | 76.4 | 0 | 0 | 111.1 | Y665 F667 A685 S687 K689 W694 L695 | Y665-M691 VanDerWaalsContact C-SD 3.55Å; F667-M691 HydrophobicContact CD1-CG 3.99Å; A685-M691 HydrophobicContact CB-CB 3.87Å; S687-M691 PolarHBondContact O-N 2.66Å; K689-M691 PolarHBondContact O-N 3.31Å; M691-W694 PolarHBondContact O-N 3.06Å; M691-L695 HydrophobicContact CE-CD1 4.27Å; M691-L695 HydrophobicContact CG-CD1 4.15Å; M691-L695 WeakPolarHBondContact O-CB 3.33Å; M691-L695 WeakPolarHBondContact O-CG 3.26Å; M691-L695 PolarHBondContact O-N 3.49Å |
| 692 | N | 87.9 | Confident | 89.8 | Confident | 65 Ų | 65 | 40 Ų | 40 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.9 | -46.7 | 178.1 | -62.2 | -4.6 | 0 | 0 | 0 | 111.3 | G688 K689 W694 L695 D696 | G688-N692 PolarHBondContact O-N 3.12Å; G688-N692 PolarHBondContact O-OD1 3Å; K689-N692 PolarHBondContact O-N 2.95Å; K689-N692 VanDerWaalsContact O-N 3.15Å; N692-W694 PolarHBondContact O-N 2.9Å; N692-L695 PolarHBondContact O-N 3.01Å; N692-L695 VanDerWaalsContact O-N 3.09Å; N692-D696 WeakPolarHBondContact O-CB 3.49Å; N692-D696 PolarHBondContact O-N 3.3Å |
| 693 | D | 89.8 | Confident | 89.6 | Confident | 54 Ų | 54 | 39 Ų | 39 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.9 | -21.2 | 177.2 | -68.3 | -10.9 | 0 | 0 | 0 | 111.8 | R597 K689 | R597-D693 PolarHBondContact NH1-O 3.25Å; R597-D693 PolarHBondContact NH2-O 2.9Å; R597-D693 VanDerWaalsContact NH2-O 3.08Å; K689-D693 WeakPolarHBondContact CE-OD1 2.89Å; K689-D693 WeakPolarHBondContact CE-OD2 2.9Å; K689-D693 IonicContact NZ-OD2 3.73Å; K689-D693 PolarHBondContact NZ-OD2 2.86Å; K689-D693 VanDerWaalsContact NZ-OD2 3.09Å; K689-D693 WeakPolarHBondContact O-CB 3.46Å; K689-D693 VanDerWaalsContact O-CG 3.29Å; K689-D693 PolarHBondContact O-N 3.09Å |
| 694 | W | 92.3 | Very high | 89.3 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -91.3 | -43.7 | 171.2 | -86.7 | 113.3 | 0 | 0 | 0 | 113.4 | R597 V617 L619 F633 F667 E690 M691 N692 L697 L698 | R597-W694 HydrophobicContact CB-CH2 4.43Å; R597-W694 HydrophobicContact CG-CH2 3.89Å; R597-W694 HydrophobicContact CG-CZ2 4.32Å; R597-W694 HydrophobicContact CG-CZ3 4.46Å; V617-W694 HydrophobicContact CG2-CH2 4.08Å; V617-W694 HydrophobicContact CG2-CZ2 3.74Å; L619-W694 HydrophobicContact CB-CZ3 4.15Å; F633-W694 HydrophobicContact CE2-CE3 4.3Å; F633-W694 HydrophobicContact CE2-CH2 4.44Å; F633-W694 AromaticContact CE2-CZ3 3.94Å; F633-W694 HydrophobicContact CE2-CZ3 3.94Å; F667-W694 HydrophobicContact CZ-CB 4.48Å; E690-W694 WeakPolarHBondContact O-CB 3.31Å; E690-W694 PolarHBondContact O-N 3.46Å; M691-W694 PolarHBondContact O-N 3.06Å; N692-W694 PolarHBondContact O-N 2.9Å; W694-L697 HydrophobicContact CE3-CD2 4.45Å; W694-L697 HydrophobicContact CZ3-CD2 4.28Å; W694-L697 PolarHBondContact O-N 2.82Å; W694-L698 WeakPolarHBondContact O-CB 3.38Å; W694-L698 WeakPolarHBondContact O-CG 3.43Å; W694-L698 PolarHBondContact O-N 3.36Å |
| 695 | L | 90.4 | Very high | 89 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 177 | -80 | 168.5 | 0 | 0 | 0 | 111.7 | L656 P658 F667 M691 N692 L697 L698 S699 | L656-L695 HydrophobicContact CB-CD2 3.95Å; P658-L695 HydrophobicContact CG-CD1 4.14Å; F667-L695 HydrophobicContact CB-CD1 4.27Å; F667-L695 HydrophobicContact CB-CD2 3.92Å; F667-L695 HydrophobicContact CB-CG 4.31Å; F667-L695 HydrophobicContact CD2-CD2 3.81Å; F667-L695 HydrophobicContact CD2-CG 4.41Å; F667-L695 HydrophobicContact CG-CD2 3.99Å; F667-L695 HydrophobicContact CG-CG 4.26Å; M691-L695 HydrophobicContact CE-CD1 4.27Å; M691-L695 HydrophobicContact CG-CD1 4.15Å; M691-L695 WeakPolarHBondContact O-CB 3.33Å; M691-L695 WeakPolarHBondContact O-CG 3.26Å; M691-L695 PolarHBondContact O-N 3.49Å; N692-L695 PolarHBondContact O-N 3.01Å; N692-L695 VanDerWaalsContact O-N 3.09Å; L695-L697 PolarHBondContact O-N 3.24Å; L695-L698 PolarHBondContact O-N 3.22Å; L695-S699 WeakPolarHBondContact O-CB 3.36Å; L695-S699 PolarHBondContact O-N 2.89Å |
| 696 | D | 89.2 | Confident | 88.9 | Confident | 100 Ų | 100 | 50.9 Ų | 50.9 | 54% | 0.535 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 178.9 | -69.5 | -17.3 | 0 | 0 | 0 | 110.7 | N692 S699 D700 | N692-D696 WeakPolarHBondContact O-CB 3.49Å; N692-D696 PolarHBondContact O-N 3.3Å; D696-S699 PolarHBondContact O-N 2.83Å; D696-D700 WeakPolarHBondContact O-CB 3.4Å; D696-D700 PolarHBondContact O-N 2.9Å |
| 697 | L | 91.3 | Very high | 88.7 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 15% | 0.152 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 178.8 | 173.3 | 64.6 | 0 | 0 | 0 | 112.7 | W595 R597 L619 W694 L695 S699 D700 C701 | W595-L697 HydrophobicContact CH2-CD1 4.01Å; W595-L697 HydrophobicContact CH2-CD2 3.79Å; W595-L697 HydrophobicContact CZ3-CD2 4.4Å; R597-L697 HydrophobicContact CB-CD2 4.44Å; R597-L697 HydrophobicContact CG-CD2 4.47Å; L619-L697 HydrophobicContact CD2-CD1 4.26Å; L619-L697 HydrophobicContact CD2-CD2 3.76Å; L619-L697 HydrophobicContact CD2-CG 3.77Å; W694-L697 HydrophobicContact CE3-CD2 4.45Å; W694-L697 HydrophobicContact CZ3-CD2 4.28Å; W694-L697 PolarHBondContact O-N 2.82Å; L695-L697 PolarHBondContact O-N 3.24Å; L697-S699 VanDerWaalsContact C-N 3.28Å; L697-S699 PolarHBondContact O-N 3.26Å; L697-D700 PolarHBondContact O-N 2.79Å; L697-C701 PolarHBondContact O-N 3.32Å; L697-C701 PolarHBondContact O-SG 3Å; L697-C701 VanDerWaalsContact O-SG 3.41Å |
| 698 | L | 92.4 | Very high | 88.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 179.2 | -70.8 | 170.5 | 0 | 0 | 0 | 110.3 | L619 F633 I650 L656 F667 W694 L695 C702 | L619-L698 HydrophobicContact CD1-CD2 4.03Å; L619-L698 HydrophobicContact CD2-CD2 4.19Å; F633-L698 HydrophobicContact CB-CD2 4.44Å; F633-L698 HydrophobicContact CD2-CD2 3.95Å; F633-L698 HydrophobicContact CE2-CD2 4.42Å; F633-L698 HydrophobicContact CG-CD2 4.21Å; I650-L698 HydrophobicContact CD1-CD2 3.84Å; L656-L698 HydrophobicContact CD1-CB 3.57Å; L656-L698 HydrophobicContact CD2-CB 4.32Å; L656-L698 HydrophobicContact CD2-CD1 4.43Å; F667-L698 HydrophobicContact CE2-CD1 4.04Å; W694-L698 WeakPolarHBondContact O-CB 3.38Å; W694-L698 WeakPolarHBondContact O-CG 3.43Å; W694-L698 PolarHBondContact O-N 3.36Å; L695-L698 PolarHBondContact O-N 3.22Å; L698-C702 WeakPolarHBondContact O-CB 3.25Å; L698-C702 PolarHBondContact O-N 3.23Å; L698-C702 PolarHBondContact O-SG 3.35Å |
| 699 | S | 90.7 | Very high | 88.2 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -48.7 | 173.8 | -172.2 | 0 | 0 | 0 | 0 | 112 | L695 D696 L697 C701 C702 C703 | L695-S699 WeakPolarHBondContact O-CB 3.36Å; L695-S699 PolarHBondContact O-N 2.89Å; D696-S699 PolarHBondContact O-N 2.83Å; L697-S699 VanDerWaalsContact C-N 3.28Å; L697-S699 PolarHBondContact O-N 3.26Å; S699-C701 VanDerWaalsContact C-N 3.34Å; S699-C701 PolarHBondContact O-N 2.8Å; S699-C702 WeakPolarHBondContact O-CB 3.27Å; S699-C702 PolarHBondContact O-N 3.03Å; S699-C702 VanDerWaalsContact O-N 3.09Å; S699-C703 PolarHBondContact O-N 2.97Å; S699-C703 PolarHBondContact O-SG 3.07Å |
| 700 | D | 88.9 | Confident | 87.8 | Confident | 106 Ų | 106 | 47.2 Ų | 47.2 | 57% | 0.567 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.7 | -46.8 | 175.9 | -86 | -9.6 | 0 | 0 | 0 | 111 | D696 L697 C703 E704 | D696-D700 WeakPolarHBondContact O-CB 3.4Å; D696-D700 PolarHBondContact O-N 2.9Å; L697-D700 PolarHBondContact O-N 2.79Å; D700-C703 PolarHBondContact O-N 3.22Å; D700-E704 VanDerWaalsContact O-CB 3.29Å; D700-E704 WeakPolarHBondContact O-CB 3.47Å; D700-E704 PolarHBondContact O-N 3.27Å |
| 701 | C | 90.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.8 | -35.8 | 176.3 | -67 | 0 | 0 | 0 | 0 | 112.9 | I650 L697 S699 C703 W705 | I650-C701 VanDerWaalsContact CG2-C 3.5Å; I650-C701 HydrophobicContact CG2-CB 3.95Å; I650-C701 WeakPolarHBondContact CG2-O 3.39Å; L697-C701 PolarHBondContact O-N 3.32Å; L697-C701 PolarHBondContact O-SG 3Å; L697-C701 VanDerWaalsContact O-SG 3.41Å; S699-C701 VanDerWaalsContact C-N 3.34Å; S699-C701 PolarHBondContact O-N 2.8Å; C701-C703 VanDerWaalsContact C-N 3.32Å; C701-W705 WeakPolarHBondContact O-CB 3.46Å; C701-W705 PolarHBondContact O-N 3.44Å; C701-W705 VanDerWaalsContact O-N 3.12Å |
| 702 | C | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.3 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | I650 L698 S699 R706 F748 | I650-C702 HydrophobicContact CG2-CB 4.36Å; L698-C702 WeakPolarHBondContact O-CB 3.25Å; L698-C702 PolarHBondContact O-N 3.23Å; L698-C702 PolarHBondContact O-SG 3.35Å; S699-C702 WeakPolarHBondContact O-CB 3.27Å; S699-C702 PolarHBondContact O-N 3.03Å; S699-C702 VanDerWaalsContact O-N 3.09Å; C702-R706 VanDerWaalsContact O-CG 3.32Å; C702-R706 WeakPolarHBondContact O-CG 3.29Å; C702-R706 PolarHBondContact O-NH1 2.96Å; C702-F748 HydrophobicContact CB-CE1 4.4Å; C702-F748 HydrophobicContact CB-CE2 3.52Å; C702-F748 HydrophobicContact CB-CZ 3.44Å; C702-F748 VanDerWaalsContact CB-CZ 3.44Å |
| 703 | C | 88 | Confident | 87.6 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.081 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77.3 | -46.4 | 177.9 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | S699 D700 C701 W705 R706 G707 I708 | S699-C703 PolarHBondContact O-N 2.97Å; S699-C703 PolarHBondContact O-SG 3.07Å; D700-C703 PolarHBondContact O-N 3.22Å; C701-C703 VanDerWaalsContact C-N 3.32Å; C703-W705 VanDerWaalsContact C-N 3.34Å; C703-W705 PolarHBondContact O-N 3.28Å; C703-R706 CarbonylContact O-C 3.57Å; C703-R706 PolarHBondContact O-N 2.97Å; C703-R706 VanDerWaalsContact O-N 3.09Å; C703-G707 PolarHBondContact O-N 2.83Å; C703-I708 HydrophobicContact CB-CB 4.23Å; C703-I708 PolarHBondContact O-N 3.05Å |
| 704 | E | 87.8 | Confident | 87.5 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 177.6 | 179.4 | 169 | -127.3 | 0 | 0 | 111.6 | Q621 K629 D700 R706 G707 | Q621-E704 PolarHBondContact NE2-OE2 2.87Å; K629-E704 WeakPolarHBondContact CD-OE2 3.35Å; K629-E704 WeakPolarHBondContact CE-OE1 3.48Å; K629-E704 IonicContact NZ-OE1 3.68Å; K629-E704 PolarHBondContact NZ-OE1 2.87Å; K629-E704 IonicContact NZ-OE2 2.72Å; K629-E704 PolarHBondContact NZ-OE2 3.39Å; D700-E704 VanDerWaalsContact O-CB 3.29Å; D700-E704 WeakPolarHBondContact O-CB 3.47Å; D700-E704 PolarHBondContact O-N 3.27Å; E704-R706 VanDerWaalsContact C-N 3.3Å; E704-R706 PolarHBondContact O-N 3.49Å; E704-G707 PolarHBondContact O-N 2.74Å |
| 705 | W | 85.8 | Confident | 87.3 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 177.3 | -171.3 | 87.6 | 0 | 0 | 0 | 113 | D630 N651 C701 C703 G707 | D630-W705 PolarHBondContact OD1-NE1 3.49Å; N651-W705 HydrophobicContact CB-CD2 3.52Å; N651-W705 VanDerWaalsContact CB-CE2 3.43Å; N651-W705 HydrophobicContact CB-CE3 3.57Å; N651-W705 HydrophobicContact CB-CG 4.32Å; N651-W705 HydrophobicContact CB-CH2 3.54Å; N651-W705 HydrophobicContact CB-CZ2 3.45Å; N651-W705 VanDerWaalsContact CB-CZ2 3.45Å; N651-W705 HydrophobicContact CB-CZ3 3.59Å; C701-W705 WeakPolarHBondContact O-CB 3.46Å; C701-W705 PolarHBondContact O-N 3.44Å; C701-W705 VanDerWaalsContact O-N 3.12Å; C703-W705 VanDerWaalsContact C-N 3.34Å; C703-W705 PolarHBondContact O-N 3.28Å; W705-G707 VanDerWaalsContact C-N 3.35Å |
| 706 | R | 87.1 | Confident | 87.4 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.3 | -6.4 | 179.9 | -67.7 | 179.2 | 173 | 81.8 | -3.6 | 113.7 | I650 N651 V653 C702 C703 E704 I708 | I650-R706 PolarHBondContact O-NH1 2.72Å; N651-R706 PolarHBondContact O-NH2 3.11Å; V653-R706 PolarHBondContact O-NH2 2.86Å; C702-R706 VanDerWaalsContact O-CG 3.32Å; C702-R706 WeakPolarHBondContact O-CG 3.29Å; C702-R706 PolarHBondContact O-NH1 2.96Å; C703-R706 CarbonylContact O-C 3.57Å; C703-R706 PolarHBondContact O-N 2.97Å; C703-R706 VanDerWaalsContact O-N 3.09Å; E704-R706 VanDerWaalsContact C-N 3.3Å; E704-R706 PolarHBondContact O-N 3.49Å; R706-I708 HydrophobicContact CB-CD1 3.71Å; R706-I708 HydrophobicContact CB-CG1 3.77Å; R706-I708 HydrophobicContact CG-CD1 4.43Å; R706-I708 PolarHBondContact O-N 3.36Å |
| 707 | G | 84 | Confident | 87.7 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 13.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C703 E704 W705 A709 | C703-G707 PolarHBondContact O-N 2.83Å; E704-G707 PolarHBondContact O-N 2.74Å; W705-G707 VanDerWaalsContact C-N 3.35Å; G707-A709 PolarHBondContact O-N 3.08Å |
| 708 | I | 84.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 43.7 Ų | 43.7 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | trans | -76.3 | 109 | -179.8 | -63.9 | 170.3 | 0 | 0 | 0 | 108.1 | C703 R706 F748 | C703-I708 HydrophobicContact CB-CB 4.23Å; C703-I708 PolarHBondContact O-N 3.05Å; R706-I708 HydrophobicContact CB-CD1 3.71Å; R706-I708 HydrophobicContact CB-CG1 3.77Å; R706-I708 HydrophobicContact CG-CD1 4.43Å; R706-I708 PolarHBondContact O-N 3.36Å; I708-F748 HydrophobicContact CD1-CD1 3.87Å; I708-F748 HydrophobicContact CD1-CE1 4.11Å | ||
| 709 | A | 76.4 | Confident | 88 | Confident | 89 Ų | 89 | 43.5 Ų | 43.5 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | trans | -133.6 | 124.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G707 | G707-A709 PolarHBondContact O-N 3.08Š| ||
| 710 | G | 77.7 | Confident | 88.2 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 89.9 | -156.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | R750 F783 | G710-R750 PolarHBondContact O-NH1 3.07Å; G710-R750 VanDerWaalsContact O-NH1 3.08Å; G710-F783 CarbonylContact C-O 3.59Å; G710-F783 VanDerWaalsContact C-O 3.27Å |
| 711 | A | 84.2 | Confident | 88.4 | Confident | 36 Ų | 36 | 37.5 Ų | 37.5 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -69.6 | 153.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y779 G781 F783 | A711-Y779 WeakPolarHBondContact CB-OH 3.46Å; A711-G781 WeakPolarHBondContact CB-O 3.48Å; A711-F783 WeakPolarHBondContact CA-O 3.45Å; A711-F783 PolarHBondContact N-O 2.85Å; A711-F783 VanDerWaalsContact N-O 3.08Å |
| 712 | P | 89.5 | Confident | 88.2 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 147.1 | 177.4 | -26.2 | 35.8 | 0 | 0 | 0 | 113.8 | A716 W718 V728 E730 I752 Y779 | P712-A716 HydrophobicContact CB-CB 3.97Å; P712-W718 HydrophobicContact CB-CH2 4.49Å; P712-W718 HydrophobicContact CB-CZ2 3.83Å; P712-W718 HydrophobicContact CG-CH2 3.88Å; P712-W718 HydrophobicContact CG-CZ2 3.73Å; P712-V728 HydrophobicContact CB-CG1 3.92Å; P712-V728 HydrophobicContact CG-CG1 4Å; P712-E730 WeakPolarHBondContact CA-OE1 3.3Å; P712-I752 HydrophobicContact CG-CD1 4.19Å; P712-Y779 WeakPolarHBondContact CD-OH 3.34Å |
| 713 | T | 88.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 43.7 Ų | 43.7 | 39% | 0.387 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 157.8 | 174.4 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | Q715 A716 E730 | T713-Q715 PolarHBondContact O-N 2.85Å; T713-Q715 VanDerWaalsContact O-N 3.12Å; T713-A716 VanDerWaalsContact O-CB 3.26Å; T713-A716 WeakPolarHBondContact O-CB 3.17Å; T713-A716 PolarHBondContact O-N 3.09Å; T713-A716 VanDerWaalsContact O-N 3.1Å; T713-A716 PolarHBondContact OG1-N 3.03Å; T713-E730 HydrophobicContact CG2-CG 4.41Å |
| 714 | K | 87.5 | Confident | 87.8 | Confident | 124 Ų | 124 | 43.1 Ų | 43.1 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -19.4 | 177.8 | -61.2 | -172.9 | 169.6 | -147.2 | 0 | 114.2 | L764 | K714-L764 WeakPolarHBondContact CD-O 3.32Å; K714-L764 VanDerWaalsContact CE-O 3.23Å; K714-L764 WeakPolarHBondContact CE-O 3.16Å; K714-L764 PolarHBondContact NZ-O 3.26Å |
| 715 | Q | 88.6 | Confident | 87.9 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 20% | 0.201 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 0.3 | -179.2 | -69.7 | 165.9 | -27.4 | 0 | 0 | 112.7 | T713 P731 T932 G1124 | T713-Q715 PolarHBondContact O-N 2.85Å; T713-Q715 VanDerWaalsContact O-N 3.12Å; Q715-P731 HydrophobicContact CB-CG 4.42Å; Q715-P731 VanDerWaalsContact O-CG 3.31Å; Q715-P731 WeakPolarHBondContact O-CG 3.05Å; Q715-T932 PolarHBondContact NE2-OG1 2.9Å; Q715-G1124 WeakPolarHBondContact CA-O 3.19Å |
| 716 | A | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -59.8 | 141.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P712 T713 V728 H729 E730 | P712-A716 HydrophobicContact CB-CB 3.97Å; T713-A716 VanDerWaalsContact O-CB 3.26Å; T713-A716 WeakPolarHBondContact O-CB 3.17Å; T713-A716 PolarHBondContact O-N 3.09Å; T713-A716 VanDerWaalsContact O-N 3.1Å; T713-A716 PolarHBondContact OG1-N 3.03Å; A716-V728 HydrophobicContact CB-CG1 3.78Å; A716-H729 CarbonylContact C-O 3.36Å; A716-H729 VanDerWaalsContact CA-O 3.3Å; A716-H729 WeakPolarHBondContact CA-O 3.05Å; A716-H729 WeakPolarHBondContact CB-O 3.32Å; A716-E730 HydrophobicContact CB-CG 4.35Å | ||
| 717 | L | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.9 | 171.7 | -74.3 | 71 | 0 | 0 | 0 | 108.4 | V728 H729 P731 L735 M747 W749 W1076 V1122 N1125 | L717-V728 WeakPolarHBondContact O-CA 3.47Å; L717-H729 HydrophobicContact CB-CB 4.39Å; L717-H729 PolarHBondContact N-O 3.18Å; L717-H729 PolarHBondContact O-N 2.9Å; L717-P731 HydrophobicContact CD1-CB 3.87Å; L717-P731 HydrophobicContact CD1-CG 3.68Å; L717-L735 HydrophobicContact CD1-CD2 4.3Å; L717-M747 HydrophobicContact CD2-CE 4.07Å; L717-W749 HydrophobicContact CB-CH2 4.31Å; L717-W1076 HydrophobicContact CD2-CD2 4.15Å; L717-W1076 HydrophobicContact CD2-CE3 4.26Å; L717-W1076 HydrophobicContact CD2-CH2 4.13Å; L717-W1076 HydrophobicContact CD2-CZ2 4Å; L717-W1076 HydrophobicContact CD2-CZ3 4.25Å; L717-V1122 HydrophobicContact CD2-CB 4.5Å; L717-V1122 HydrophobicContact CD2-CG2 4.13Å; L717-V1122 HydrophobicContact CG-CB 4.44Å; L717-V1122 HydrophobicContact CG-CG2 4.11Å; L717-N1125 HydrophobicContact CD1-CB 3.88Å |
| 718 | W | 95.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.027 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 146.6 | -178.8 | -68.4 | 78.1 | 0 | 0 | 0 | 111.2 | P712 I726 V728 I752 I759 V767 Y779 W914 I1120 S1121 | P712-W718 HydrophobicContact CB-CH2 4.49Å; P712-W718 HydrophobicContact CB-CZ2 3.83Å; P712-W718 HydrophobicContact CG-CH2 3.88Å; P712-W718 HydrophobicContact CG-CZ2 3.73Å; W718-I726 HydrophobicContact CE3-CG2 3.9Å; W718-I726 HydrophobicContact CZ3-CG2 4.03Å; W718-V728 HydrophobicContact CD2-CG1 4.45Å; W718-V728 HydrophobicContact CD2-CG2 3.63Å; W718-V728 HydrophobicContact CE3-CG2 3.23Å; W718-V728 HydrophobicContact CG-CG2 4.39Å; W718-V728 HydrophobicContact CH2-CG2 3.97Å; W718-V728 HydrophobicContact CZ2-CG2 4.26Å; W718-V728 HydrophobicContact CZ3-CG2 3.44Å; W718-V728 VanDerWaalsContact CZ3-CG2 3.44Å; W718-I752 HydrophobicContact CZ3-CG1 4.3Å; W718-I759 HydrophobicContact CB-CD1 4.04Å; W718-I759 HydrophobicContact CB-CG1 4.16Å; W718-I759 HydrophobicContact CB-CG2 4.09Å; W718-I759 HydrophobicContact CD2-CD1 4.04Å; W718-I759 HydrophobicContact CE3-CD1 3.39Å; W718-I759 HydrophobicContact CG-CD1 4.34Å; W718-I759 HydrophobicContact CZ3-CD1 4.13Å; W718-V767 HydrophobicContact CD2-CG1 3.88Å; W718-V767 HydrophobicContact CD2-CG2 4.32Å; W718-V767 HydrophobicContact CE3-CG1 4.11Å; W718-V767 HydrophobicContact CG-CG1 4.26Å; W718-V767 HydrophobicContact CZ2-CB 4.47Å; W718-V767 HydrophobicContact CZ2-CG1 4.34Å; W718-V767 HydrophobicContact CZ2-CG2 3.78Å; W718-V767 HydrophobicContact CZ3-CG1 4.41Å; W718-Y779 HydrophobicContact CH2-CD1 4.43Å; W718-Y779 AromaticContact CH2-CD2 3.95Å; W718-Y779 HydrophobicContact CH2-CD2 3.95Å; W718-Y779 HydrophobicContact CH2-CE1 4.39Å; W718-Y779 AromaticContact CH2-CE2 3.91Å; W718-Y779 HydrophobicContact CH2-CE2 3.91Å; W718-Y779 HydrophobicContact CH2-CG 4.24Å; W718-W914 HydrophobicContact CZ3-CH2 4Å; W718-W914 AromaticContact CZ3-CZ2 3.97Å; W718-W914 HydrophobicContact CZ3-CZ2 3.97Å; W718-I1120 CarbonylContact O-C 3.01Å; W718-I1120 WeakPolarHBondContact O-CA 3.38Å; W718-S1121 PolarHBondContact N-O 2.82Å; W718-S1121 VanDerWaalsContact N-O 3.13Å; W718-S1121 PolarHBondContact O-N 2.9Å |
| 719 | S | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.3 | -176.9 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | M727 W1117 H1119 | S719-M727 PolarHBondContact N-O 3.1Å; S719-M727 PolarHBondContact O-N 3.15Å; S719-W1117 VanDerWaalsContact OG-CZ3 3.32Å; S719-W1117 WeakPolarHBondContact OG-CZ3 3.48Å; S719-H1119 WeakPolarHBondContact CA-O 3.35Å; S719-H1119 VanDerWaalsContact CB-O 3.28Å; S719-H1119 WeakPolarHBondContact CB-O 3.37Å; S719-H1119 PolarHBondContact OG-O 3.22Å |
| 720 | T | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.3 | 171.7 | 51.3 | 0 | 0 | 0 | 0 | 112 | D725 L756 R757 I759 E1118 H1119 | T720-D725 CarbonylContact C-O 3.57Å; T720-D725 VanDerWaalsContact CA-O 3.28Å; T720-D725 WeakPolarHBondContact CA-O 3.31Å; T720-L756 HydrophobicContact CG2-CB 3.97Å; T720-L756 VanDerWaalsContact CG2-O 3.31Å; T720-L756 WeakPolarHBondContact CG2-O 3.4Å; T720-R757 PolarHBondContact OG1-O 2.83Å; T720-I759 HydrophobicContact CG2-CB 4.12Å; T720-I759 HydrophobicContact CG2-CG2 3.9Å; T720-E1118 PolarHBondContact O-N 2.82Å; T720-H1119 PolarHBondContact N-O 2.7Å; T720-H1119 VanDerWaalsContact N-O 3.11Å; T720-H1119 PolarHBondContact O-N 3.29Å; T720-H1119 VanDerWaalsContact O-N 3.17Å; T720-H1119 WeakPolarHBondContact OG1-CB 3.35Å |
| 721 | T | 91.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 161.7 | 169.6 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | K723 G724 D725 M727 | T721-K723 PolarHBondContact O-N 2.84Å; T721-K723 PolarHBondContact OG1-N 3.16Å; T721-G724 PolarHBondContact O-N 3.09Å; T721-G724 PolarHBondContact OG1-N 3.38Å; T721-D725 HydrophobicContact CG2-CB 3.86Å; T721-D725 PolarHBondContact N-O 3.12Å; T721-D725 WeakPolarHBondContact OG1-CB 3.34Å; T721-D725 PolarHBondContact OG1-N 3.41Å; T721-D725 PolarHBondContact OG1-OD2 3.43Å; T721-M727 HydrophobicContact CG2-CG 4.27Å |
| 722 | S | 86.2 | Confident | 90.4 | Very high | 54 Ų | 54 | 26.1 Ų | 26.1 | 38% | 0.378 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -9.2 | 170.3 | 54.2 | 0 | 0 | 0 | 0 | 115.4 | G1116 E1118 | S722-G1116 WeakPolarHBondContact CB-O 3.44Å; S722-G1116 PolarHBondContact N-O 3.12Å; S722-G1116 PolarHBondContact OG-O 2.64Å; S722-E1118 WeakPolarHBondContact CA-OE2 3.43Å |
| 723 | K | 83.1 | Confident | 89.8 | Confident | 82 Ų | 82 | 29.8 Ų | 29.8 | 36% | 0.357 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -14.9 | 172.6 | -57.3 | 178.9 | -172.2 | 176 | 0 | 113.3 | P658 T721 D725 H755 | P658-K723 PolarHBondContact O-NZ 3.29Å; T721-K723 PolarHBondContact O-N 2.84Å; T721-K723 PolarHBondContact OG1-N 3.16Å; K723-D725 WeakPolarHBondContact CB-OD2 3.47Å; K723-H755 PolarHBondContact O-NE2 2.89Å |
| 724 | G | 87.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 96.6 | 7.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T721 H755 L756 | T721-G724 PolarHBondContact O-N 3.09Å; T721-G724 PolarHBondContact OG1-N 3.38Å; G724-H755 WeakPolarHBondContact O-CA 3.34Å; G724-L756 VanDerWaalsContact CA-O 3.24Å; G724-L756 WeakPolarHBondContact CA-O 3.3Å; G724-L756 PolarHBondContact O-N 2.9Å; G724-L756 VanDerWaalsContact O-N 3.08Å | ||
| 725 | D | 90.1 | Very high | 88.8 | Confident | 26 Ų | 26 | 23.6 Ų | 23.6 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | trans | -68.1 | 135.7 | 175.5 | -52.6 | -77.3 | 0 | 0 | 0 | 110.3 | T720 T721 K723 Q751 | T720-D725 CarbonylContact C-O 3.57Å; T720-D725 VanDerWaalsContact CA-O 3.28Å; T720-D725 WeakPolarHBondContact CA-O 3.31Å; T721-D725 HydrophobicContact CG2-CB 3.86Å; T721-D725 PolarHBondContact N-O 3.12Å; T721-D725 WeakPolarHBondContact OG1-CB 3.34Å; T721-D725 PolarHBondContact OG1-N 3.41Å; T721-D725 PolarHBondContact OG1-OD2 3.43Å; K723-D725 WeakPolarHBondContact CB-OD2 3.47Å; D725-Q751 PolarHBondContact OD1-NE2 3.28Å | ||
| 726 | I | 93.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 118.5 | -178.3 | -50.7 | 166 | 0 | 0 | 0 | 109.5 | W718 Q751 I752 L756 I759 W914 | W718-I726 HydrophobicContact CE3-CG2 3.9Å; W718-I726 HydrophobicContact CZ3-CG2 4.03Å; I726-Q751 CarbonylContact O-C 3.35Å; I726-Q751 WeakPolarHBondContact O-CA 3.45Å; I726-I752 HydrophobicContact CG2-CB 4.43Å; I726-I752 PolarHBondContact O-N 2.99Å; I726-L756 HydrophobicContact CD1-CB 4.35Å; I726-L756 HydrophobicContact CD1-CD1 3.65Å; I726-L756 HydrophobicContact CD1-CG 3.85Å; I726-L756 HydrophobicContact CG1-CB 4.22Å; I726-L756 HydrophobicContact CG1-CD1 4.16Å; I726-L756 HydrophobicContact CG1-CG 4.27Å; I726-I759 HydrophobicContact CG2-CD1 3.73Å; I726-W914 HydrophobicContact CD1-CZ2 3.66Å; I726-W914 HydrophobicContact CG2-CZ2 4.35Å |
| 727 | M | 94.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.3 | -177.9 | -57.4 | -56.8 | -67 | 0 | 0 | 111 | V657 S719 T721 W749 Q751 W1117 | V657-M727 HydrophobicContact CG2-CE 4.47Å; S719-M727 PolarHBondContact N-O 3.1Å; S719-M727 PolarHBondContact O-N 3.15Å; T721-M727 HydrophobicContact CG2-CG 4.27Å; M727-W749 HydrophobicContact CB-CE3 4.01Å; M727-W749 HydrophobicContact CE-CB 3.94Å; M727-W749 WeakPolarHBondContact CE-O 3.49Å; M727-Q751 HydrophobicContact CE-CB 4.25Å; M727-Q751 HydrophobicContact SD-CB 3.75Å; M727-Q751 HydrophobicContact SD-CG 3.91Å; M727-W1117 HydrophobicContact CB-CH2 3.68Å; M727-W1117 HydrophobicContact CB-CZ3 3.93Å; M727-W1117 HydrophobicContact CG-CH2 3.82Å; M727-W1117 HydrophobicContact CG-CZ2 4.3Å; M727-W1117 HydrophobicContact CG-CZ3 4.32Å |
| 728 | V | 94.4 | Very high | 86 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.2 | -175.9 | -177 | 0 | 0 | 0 | 0 | 111.5 | P712 A716 L717 W718 W749 R750 I752 | P712-V728 HydrophobicContact CB-CG1 3.92Å; P712-V728 HydrophobicContact CG-CG1 4Å; A716-V728 HydrophobicContact CB-CG1 3.78Å; L717-V728 WeakPolarHBondContact O-CA 3.47Å; W718-V728 HydrophobicContact CD2-CG1 4.45Å; W718-V728 HydrophobicContact CD2-CG2 3.63Å; W718-V728 HydrophobicContact CE3-CG2 3.23Å; W718-V728 HydrophobicContact CG-CG2 4.39Å; W718-V728 HydrophobicContact CH2-CG2 3.97Å; W718-V728 HydrophobicContact CZ2-CG2 4.26Å; W718-V728 HydrophobicContact CZ3-CG2 3.44Å; W718-V728 VanDerWaalsContact CZ3-CG2 3.44Å; V728-W749 WeakPolarHBondContact O-CA 3.47Å; V728-R750 PolarHBondContact N-O 2.83Å; V728-R750 PolarHBondContact O-N 2.98Å; V728-I752 HydrophobicContact CB-CG1 4.25Å; V728-I752 HydrophobicContact CG2-CB 4.48Å; V728-I752 HydrophobicContact CG2-CG1 3.53Å |
| 729 | H | 93.1 | Very high | 84.1 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134 | 170.7 | 176.4 | 63.4 | 0 | 0 | 0 | 110.3 | A716 L717 P731 M747 F748 W749 | A716-H729 CarbonylContact C-O 3.36Å; A716-H729 VanDerWaalsContact CA-O 3.3Å; A716-H729 WeakPolarHBondContact CA-O 3.05Å; A716-H729 WeakPolarHBondContact CB-O 3.32Å; L717-H729 HydrophobicContact CB-CB 4.39Å; L717-H729 PolarHBondContact N-O 3.18Å; L717-H729 PolarHBondContact O-N 2.9Å; H729-P731 WeakPolarHBondContact O-CD 3.35Å; H729-M747 HydrophobicContact CB-CE 4.25Å; H729-M747 WeakPolarHBondContact CD2-CE 3.45Å; H729-F748 PolarHBondContact ND1-N 3.29Å; H729-F748 PolarHBondContact ND1-O 2.59Å; H729-W749 HydrophobicContact CB-CD2 3.88Å; H729-W749 HydrophobicContact CB-CE3 3.77Å; H729-W749 HydrophobicContact CB-CH2 4.06Å; H729-W749 HydrophobicContact CB-CZ2 4.15Å; H729-W749 HydrophobicContact CB-CZ3 3.86Å |
| 730 | E | 89.9 | Confident | 82.4 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | trans | -97.2 | 108.9 | 172.3 | -69.5 | -177.5 | -170.2 | 0 | 0 | 108.9 | P712 T713 A716 R750 | P712-E730 WeakPolarHBondContact CA-OE1 3.3Å; T713-E730 HydrophobicContact CG2-CG 4.41Å; A716-E730 HydrophobicContact CB-CG 4.35Å; E730-R750 IonicContact OE1-CZ 3.13Å; E730-R750 IonicContact OE1-NH2 3.96Å; E730-R750 PolarHBondContact OE1-NH2 2.99Å | ||
| 731 | P | 85.8 | Confident | 81 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | trans | -76.1 | 142.7 | -172.7 | 31.2 | -36.5 | 0 | 0 | 0 | 112 | Q715 L717 H729 L735 | Q715-P731 HydrophobicContact CB-CG 4.42Å; Q715-P731 VanDerWaalsContact O-CG 3.31Å; Q715-P731 WeakPolarHBondContact O-CG 3.05Å; L717-P731 HydrophobicContact CD1-CB 3.87Å; L717-P731 HydrophobicContact CD1-CG 3.68Å; H729-P731 WeakPolarHBondContact O-CD 3.35Å; P731-L735 HydrophobicContact CB-CB 4.29Å; P731-L735 HydrophobicContact CB-CD2 3.54Å | ||
| 732 | P | 81.9 | Confident | 80.3 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | trans | -72.4 | 156.4 | 164.9 | 32.2 | -35.2 | 0 | 0 | 0 | 110.9 | S734 L735 L742 | P732-S734 PolarHBondContact O-N 2.82Å; P732-L735 HydrophobicContact CG-CB 4.32Å; P732-L735 WeakPolarHBondContact O-CB 3.47Å; P732-L735 PolarHBondContact O-N 3.08Å; P732-L742 HydrophobicContact CG-CB 4.5Å; P732-L742 HydrophobicContact CG-CD2 4Å | ||
| 733 | L | 77.1 | Confident | 80.2 | Confident | 96 Ų | 96 | 43.8 Ų | 43.8 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -8.9 | 173.4 | -61.2 | 177.1 | 0 | 0 | 0 | 114.3 | A1127 L1130 | L733-A1127 HydrophobicContact CD2-CB 4.12Å; L733-L1130 HydrophobicContact CD1-CD1 4.4Å |
| 734 | S | 73.8 | Confident | 80.4 | Confident | 56 Ų | 56 | 40 Ų | 40 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 3 | 177.9 | 65.6 | 0 | 0 | 0 | 0 | 114.3 | P732 E736 A737 | P732-S734 PolarHBondContact O-N 2.82Å; S734-E736 VanDerWaalsContact C-N 3.3Å; S734-E736 PolarHBondContact O-N 3.08Å; S734-A737 WeakPolarHBondContact O-CB 3.39Å; S734-A737 PolarHBondContact O-N 2.93Å |
| 735 | L | 80.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -44.6 | -179.3 | 178.9 | 59.4 | 0 | 0 | 0 | 111.4 | L717 P731 P732 A737 L742 W1076 | L717-L735 HydrophobicContact CD1-CD2 4.3Å; P731-L735 HydrophobicContact CB-CB 4.29Å; P731-L735 HydrophobicContact CB-CD2 3.54Å; P732-L735 HydrophobicContact CG-CB 4.32Å; P732-L735 WeakPolarHBondContact O-CB 3.47Å; P732-L735 PolarHBondContact O-N 3.08Å; L735-A737 VanDerWaalsContact C-N 3.33Å; L735-L742 HydrophobicContact CD1-CB 3.94Å; L735-W1076 HydrophobicContact CD1-CH2 4.44Å; L735-W1076 HydrophobicContact CD1-CZ2 4.26Å; L735-W1076 HydrophobicContact CD2-CZ2 4.02Å; L735-W1076 HydrophobicContact CG-CZ2 4.37Å |
| 736 | E | 81.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 16.9 | -178.8 | -43.5 | -65.1 | -173.6 | 0 | 0 | 112.4 | S734 A738 L1072 Q1074 H1095 N1125 | S734-E736 VanDerWaalsContact C-N 3.3Å; S734-E736 PolarHBondContact O-N 3.08Å; E736-A738 PolarHBondContact O-N 3.31Å; E736-L1072 HydrophobicContact CG-CD1 4.32Å; E736-Q1074 WeakPolarHBondContact OE1-CG 3.43Å; E736-Q1074 PolarHBondContact OE1-NE2 3.47Å; E736-H1095 IonicContact OE2-CE1 2.77Å; E736-H1095 PolarHBondContact OE2-CE1 3.1Å; E736-H1095 VanDerWaalsContact OE2-CE1 3.31Å; E736-H1095 IonicContact OE2-NE2 3.23Å; E736-H1095 PolarHBondContact OE2-NE2 3.42Å; E736-N1125 PolarHBondContact OE1-ND2 2.53Å |
| 737 | A | 71.6 | Confident | 80.1 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | trans | -87.5 | 109 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | S734 L735 A739 H740 P741 P1129 | S734-A737 WeakPolarHBondContact O-CB 3.39Å; S734-A737 PolarHBondContact O-N 2.93Å; L735-A737 VanDerWaalsContact C-N 3.33Å; A737-A739 PolarHBondContact O-N 3.33Å; A737-H740 CarbonylContact O-C 3.58Å; A737-H740 PolarHBondContact O-N 3.5Å; A737-P741 WeakPolarHBondContact O-CD 3.26Å; A737-P1129 HydrophobicContact CB-CB 4.04Å | ||
| 738 | A | 62.4 | Low | 80 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 86% | 0.86 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -31.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E736 | E736-A738 PolarHBondContact O-N 3.31Š|
| 739 | A | 55.9 | Low | 79.9 | Confident | 84 Ų | 84 | 43.9 Ų | 43.9 | 69% | 0.694 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -36.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A737 | A737-A739 PolarHBondContact O-N 3.33Š|
| 740 | H | 59.8 | Low | 79.9 | Confident | 158 Ų | 158 | 44.6 Ų | 44.6 | 73% | 0.731 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -156.9 | 75.1 | -174.8 | -67.5 | 96.3 | 0 | 0 | 0 | 110.1 | A737 | A737-H740 CarbonylContact O-C 3.58Å; A737-H740 PolarHBondContact O-N 3.5Å |
| 741 | P | 66.8 | Low | 79.9 | Confident | 56 Ų | 56 | 45.3 Ų | 45.3 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 148.5 | 176.4 | 27.2 | -34.5 | 0 | 0 | 0 | 110.9 | A737 A743 L1097 | A737-P741 WeakPolarHBondContact O-CD 3.26Å; P741-A743 PolarHBondContact O-N 3.03Å; P741-L1097 HydrophobicContact CB-CD2 4.31Å; P741-L1097 HydrophobicContact CG-CD2 4.19Å |
| 742 | L | 76.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 118.5 | 173.3 | -179.5 | 74.3 | 0 | 0 | 0 | 109.3 | P732 L735 C744 L746 M747 | P732-L742 HydrophobicContact CG-CB 4.5Å; P732-L742 HydrophobicContact CG-CD2 4Å; L735-L742 HydrophobicContact CD1-CB 3.94Å; L742-C744 PolarHBondContact O-N 2.66Å; L742-L746 HydrophobicContact CD1-CB 3.92Å; L742-L746 HydrophobicContact CD1-CD1 3.77Å; L742-L746 HydrophobicContact CG-CB 4.32Å; L742-M747 HydrophobicContact CD2-CG 4.47Å |
| 743 | A | 84.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 135.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P741 D745 L746 D1110 | P741-A743 PolarHBondContact O-N 3.03Å; A743-D745 VanDerWaalsContact CB-OD1 3.26Å; A743-D745 WeakPolarHBondContact CB-OD1 3.49Å; A743-D745 PolarHBondContact O-N 2.84Å; A743-D745 VanDerWaalsContact O-N 3.09Å; A743-L746 HydrophobicContact CB-CD1 4.28Å; A743-L746 WeakPolarHBondContact O-CB 3.28Å; A743-L746 PolarHBondContact O-N 2.98Å; A743-D1110 WeakPolarHBondContact CA-OD2 3.37Å |
| 744 | C | 86.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -66.8 | -17.1 | -168.5 | -65.1 | 0 | 0 | 0 | 0 | 113.6 | L742 L746 M747 H1095 D1110 G1112 | L742-C744 PolarHBondContact O-N 2.66Å; C744-L746 VanDerWaalsContact C-N 3.3Å; C744-M747 HydrophobicContact CB-SD 3.98Å; C744-H1095 VanDerWaalsContact SG-CB 3.5Å; C744-D1110 WeakPolarHBondContact CB-OD2 3.42Å; C744-D1110 PolarHBondContact N-OD2 3.27Å; C744-D1110 VanDerWaalsContact SG-CG 3.58Å; C744-D1110 PolarHBondContact SG-OD2 3.34Å; C744-G1112 WeakPolarHBondContact O-CA 3.42Å |
| 745 | D | 85.8 | Confident | 81.9 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -69 | -25.7 | 171.7 | 71.7 | -93.5 | 0 | 0 | 0 | 113.8 | T654 A672 T675 K676 A743 | T654-D745 VanDerWaalsContact CG2-O 3.25Å; T654-D745 WeakPolarHBondContact CG2-O 3.48Å; A672-D745 WeakPolarHBondContact CB-OD2 3.39Å; T675-D745 HydrophobicContact CG2-CB 4.21Å; K676-D745 WeakPolarHBondContact CE-OD1 3.43Å; K676-D745 WeakPolarHBondContact CE-OD2 3.49Å; K676-D745 HydrophobicContact CG-CB 4.04Å; K676-D745 VanDerWaalsContact NZ-CG 3.26Å; K676-D745 IonicContact NZ-OD1 3.75Å; K676-D745 PolarHBondContact NZ-OD1 2.88Å; K676-D745 IonicContact NZ-OD2 2.74Å; K676-D745 PolarHBondContact NZ-OD2 2.86Å; A743-D745 VanDerWaalsContact CB-OD1 3.26Å; A743-D745 WeakPolarHBondContact CB-OD1 3.49Å; A743-D745 PolarHBondContact O-N 2.84Å; A743-D745 VanDerWaalsContact O-N 3.09Å |
| 746 | L | 88.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 45% | 0.45 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -85.5 | -8.7 | -178.7 | -60.5 | 171.8 | 0 | 0 | 0 | 112.8 | A672 L742 A743 C744 F748 | A672-L746 HydrophobicContact CB-CD2 3.78Å; L742-L746 HydrophobicContact CD1-CB 3.92Å; L742-L746 HydrophobicContact CD1-CD1 3.77Å; L742-L746 HydrophobicContact CG-CB 4.32Å; A743-L746 HydrophobicContact CB-CD1 4.28Å; A743-L746 WeakPolarHBondContact O-CB 3.28Å; A743-L746 PolarHBondContact O-N 2.98Å; C744-L746 VanDerWaalsContact C-N 3.3Å; L746-F748 PolarHBondContact O-N 3.03Å |
| 747 | M | 90.5 | Very high | 83.1 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | trans | -64.7 | 123.4 | -177.6 | -66 | 174.5 | 81.2 | 0 | 0 | 111.2 | T654 L717 H729 L742 C744 W749 W1076 | T654-M747 WeakPolarHBondContact CB-O 3.28Å; L717-M747 HydrophobicContact CD2-CE 4.07Å; H729-M747 HydrophobicContact CB-CE 4.25Å; H729-M747 WeakPolarHBondContact CD2-CE 3.45Å; L742-M747 HydrophobicContact CD2-CG 4.47Å; C744-M747 HydrophobicContact CB-SD 3.98Å; M747-W749 HydrophobicContact CE-CH2 4.37Å; M747-W749 HydrophobicContact CE-CZ2 3.6Å; M747-W749 HydrophobicContact SD-CZ2 4.37Å; M747-W1076 HydrophobicContact CE-CH2 3.43Å; M747-W1076 VanDerWaalsContact CE-CH2 3.43Å; M747-W1076 HydrophobicContact CE-CZ2 4.46Å; M747-W1076 HydrophobicContact CE-CZ3 3.6Å; M747-W1076 HydrophobicContact SD-CH2 3.56Å; M747-W1076 VanDerWaalsContact SD-CH2 3.56Å; M747-W1076 HydrophobicContact SD-CZ3 3.68Å | ||
| 748 | F | 92.1 | Very high | 84.1 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.044 | 23% | 0.231 | C | C | . | . | trans | -85.7 | 119.6 | 172.6 | 177.6 | -113.2 | 0 | 0 | 0 | 111.4 | V653 T654 C702 I708 H729 L746 R750 | V653-F748 WeakPolarHBondContact O-CD2 3.34Å; T654-F748 CarbonylContact O-C 3.53Å; T654-F748 VanDerWaalsContact O-CA 3.31Å; T654-F748 WeakPolarHBondContact O-CA 3.2Å; C702-F748 HydrophobicContact CB-CE1 4.4Å; C702-F748 HydrophobicContact CB-CE2 3.52Å; C702-F748 HydrophobicContact CB-CZ 3.44Å; C702-F748 VanDerWaalsContact CB-CZ 3.44Å; I708-F748 HydrophobicContact CD1-CD1 3.87Å; I708-F748 HydrophobicContact CD1-CE1 4.11Å; H729-F748 PolarHBondContact ND1-N 3.29Å; H729-F748 PolarHBondContact ND1-O 2.59Å; L746-F748 PolarHBondContact O-N 3.03Å; F748-R750 HydrophobicContact CE1-CB 3.95Å; F748-R750 HydrophobicContact CZ-CB 4.28Å | ||
| 749 | W | 93.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.2 | 178.2 | -66.8 | 91.2 | 0 | 0 | 0 | 110.9 | T654 A655 L717 M727 V728 H729 M747 V1093 W1117 I1120 | T654-W749 PolarHBondContact O-N 3.31Å; A655-W749 HydrophobicContact CB-CB 4.28Å; L717-W749 HydrophobicContact CB-CH2 4.31Å; M727-W749 HydrophobicContact CB-CE3 4.01Å; M727-W749 HydrophobicContact CE-CB 3.94Å; M727-W749 WeakPolarHBondContact CE-O 3.49Å; V728-W749 WeakPolarHBondContact O-CA 3.47Å; H729-W749 HydrophobicContact CB-CD2 3.88Å; H729-W749 HydrophobicContact CB-CE3 3.77Å; H729-W749 HydrophobicContact CB-CH2 4.06Å; H729-W749 HydrophobicContact CB-CZ2 4.15Å; H729-W749 HydrophobicContact CB-CZ3 3.86Å; M747-W749 HydrophobicContact CE-CH2 4.37Å; M747-W749 HydrophobicContact CE-CZ2 3.6Å; M747-W749 HydrophobicContact SD-CZ2 4.37Å; W749-V1093 HydrophobicContact CZ2-CG1 4.25Å; W749-W1117 HydrophobicContact CB-CH2 4.03Å; W749-W1117 AromaticContact CD2-CH2 3.53Å; W749-W1117 HydrophobicContact CD2-CH2 3.53Å; W749-W1117 AromaticContact CD2-CZ3 3.77Å; W749-W1117 HydrophobicContact CD2-CZ3 3.77Å; W749-W1117 AromaticContact CE3-CH2 3.78Å; W749-W1117 HydrophobicContact CE3-CH2 3.78Å; W749-W1117 AromaticContact CE3-CZ3 3.7Å; W749-W1117 HydrophobicContact CE3-CZ3 3.7Å; W749-W1117 AromaticContact CG-CH2 3.66Å; W749-W1117 HydrophobicContact CG-CH2 3.66Å; W749-W1117 HydrophobicContact CG-CZ2 4.5Å; W749-W1117 HydrophobicContact CG-CZ3 4.38Å; W749-W1117 HydrophobicContact CH2-CZ3 4.18Å; W749-W1117 HydrophobicContact CZ2-CZ3 4.24Å; W749-W1117 HydrophobicContact CZ3-CH2 4.46Å; W749-W1117 AromaticContact CZ3-CZ3 3.92Å; W749-W1117 HydrophobicContact CZ3-CZ3 3.92Å; W749-I1120 HydrophobicContact CH2-CD1 4.18Å |
| 750 | R | 92.1 | Very high | 87.6 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.6 | 176.8 | 174.2 | -179.9 | 57.8 | 176.1 | -11.8 | 110.3 | G710 V728 E730 F748 | G710-R750 PolarHBondContact O-NH1 3.07Å; G710-R750 VanDerWaalsContact O-NH1 3.08Å; V728-R750 PolarHBondContact N-O 2.83Å; V728-R750 PolarHBondContact O-N 2.98Å; E730-R750 IonicContact OE1-CZ 3.13Å; E730-R750 IonicContact OE1-NH2 3.96Å; E730-R750 PolarHBondContact OE1-NH2 2.99Å; F748-R750 HydrophobicContact CE1-CB 3.95Å; F748-R750 HydrophobicContact CZ-CB 4.28Å |
| 751 | Q | 90.6 | Very high | 89.2 | Confident | 63 Ų | 63 | 22.5 Ų | 22.5 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 138.1 | 172.9 | -167.5 | 170.5 | 11.4 | 0 | 0 | 111 | D725 I726 M727 | D725-Q751 PolarHBondContact OD1-NE2 3.28Å; I726-Q751 CarbonylContact O-C 3.35Å; I726-Q751 WeakPolarHBondContact O-CA 3.45Å; M727-Q751 HydrophobicContact CE-CB 4.25Å; M727-Q751 HydrophobicContact SD-CB 3.75Å; M727-Q751 HydrophobicContact SD-CG 3.91Å |
| 752 | I | 90.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.6 | 172.7 | -63.2 | -62 | 0 | 0 | 0 | 109.3 | P712 W718 I726 V728 G754 Y779 F783 P913 | P712-I752 HydrophobicContact CG-CD1 4.19Å; W718-I752 HydrophobicContact CZ3-CG1 4.3Å; I726-I752 HydrophobicContact CG2-CB 4.43Å; I726-I752 PolarHBondContact O-N 2.99Å; V728-I752 HydrophobicContact CB-CG1 4.25Å; V728-I752 HydrophobicContact CG2-CB 4.48Å; V728-I752 HydrophobicContact CG2-CG1 3.53Å; I752-G754 PolarHBondContact O-N 2.79Å; I752-Y779 HydrophobicContact CG2-CE2 4.45Å; I752-F783 HydrophobicContact CD1-CD1 4.35Å; I752-P913 HydrophobicContact CG2-CG 4.3Å |
| 753 | P | 88.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 18.1 Ų | 18.1 | 33% | 0.331 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -60.5 | 126.2 | 179.6 | -26.9 | 36.5 | 0 | 0 | 0 | 113.2 | F783 R911 P913 W914 | P753-F783 HydrophobicContact CG-CE2 3.77Å; P753-F783 HydrophobicContact CG-CZ 3.66Å; P753-R911 WeakPolarHBondContact CB-O 3.23Å; P753-P913 WeakPolarHBondContact O-CD 3.23Å; P753-W914 VanDerWaalsContact O-CD1 3.3Å; P753-W914 PolarHBondContact O-NE1 2.85Å |
| 754 | G | 89.2 | Confident | 91 | Very high | 15 Ų | 15 | 17.7 Ų | 17.7 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 156.2 | -177.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I752 | I752-G754 PolarHBondContact O-N 2.79Š|
| 755 | H | 92.1 | Very high | 91 | Very high | 9 Ų | 9 | 19.1 Ų | 19.1 | 4% | 0.042 | 11% | 0.108 | C | C | . | . | trans | -146.7 | 117.3 | 176.4 | -174.4 | -89.4 | 0 | 0 | 0 | 110.1 | K723 G724 W772 Q803 D805 W856 V910 | K723-H755 PolarHBondContact O-NE2 2.89Å; G724-H755 WeakPolarHBondContact O-CA 3.34Å; H755-W772 AromaticContact CE1-CD1 3.44Å; H755-W772 VanDerWaalsContact CE1-CD1 3.44Å; H755-W772 AromaticContact CE1-NE1 3.91Å; H755-Q803 PolarHBondContact O-NE2 2.93Å; H755-D805 IonicContact CE1-OD2 3.85Å; H755-D805 PolarHBondContact CE1-OD2 3.09Å; H755-D805 VanDerWaalsContact CE1-OD2 3.23Å; H755-D805 IonicContact ND1-OD2 3.09Å; H755-D805 PolarHBondContact ND1-OD2 2.63Å; H755-W856 AromaticContact CE1-CH2 3.79Å; H755-W856 AromaticContact CE1-CZ2 3.4Å; H755-W856 WeakPolarHBondContact CE1-CZ2 3.34Å; H755-W856 AromaticContact NE2-CZ2 3.36Å; H755-W856 WeakPolarHBondContact NE2-CZ2 3.43Å; H755-V910 HydrophobicContact CB-CG2 4.18Å | ||
| 756 | L | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -144.1 | 141.4 | -176.1 | -67.5 | 172.4 | 0 | 0 | 0 | 111 | T720 G724 I726 I759 W777 W914 | T720-L756 HydrophobicContact CG2-CB 3.97Å; T720-L756 VanDerWaalsContact CG2-O 3.31Å; T720-L756 WeakPolarHBondContact CG2-O 3.4Å; G724-L756 VanDerWaalsContact CA-O 3.24Å; G724-L756 WeakPolarHBondContact CA-O 3.3Å; G724-L756 PolarHBondContact O-N 2.9Å; G724-L756 VanDerWaalsContact O-N 3.08Å; I726-L756 HydrophobicContact CD1-CB 4.35Å; I726-L756 HydrophobicContact CD1-CD1 3.65Å; I726-L756 HydrophobicContact CD1-CG 3.85Å; I726-L756 HydrophobicContact CG1-CB 4.22Å; I726-L756 HydrophobicContact CG1-CD1 4.16Å; I726-L756 HydrophobicContact CG1-CG 4.27Å; L756-I759 HydrophobicContact CD1-CD1 4Å; L756-I759 HydrophobicContact CD1-CG1 4.43Å; L756-W777 HydrophobicContact CD2-CB 4.04Å; L756-W777 HydrophobicContact CD2-CG 4.15Å; L756-W914 HydrophobicContact CD1-CD2 4.42Å; L756-W914 HydrophobicContact CD1-CE3 4.21Å; L756-W914 HydrophobicContact CD1-CH2 3.85Å; L756-W914 HydrophobicContact CD1-CZ2 4.05Å; L756-W914 HydrophobicContact CD1-CZ3 3.92Å | ||
| 757 | R | 92.8 | Very high | 91.5 | Very high | 54 Ų | 54 | 15.1 Ų | 15.1 | 20% | 0.204 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -75.7 | -48.6 | 173 | 178.7 | 179.9 | 58.1 | 86.7 | -0.6 | 111.1 | T720 I770 G771 W772 S923 | T720-R757 PolarHBondContact OG1-O 2.83Å; R757-I770 PolarHBondContact N-O 2.68Å; R757-G771 PolarHBondContact NE-O 3.47Å; R757-W772 HydrophobicContact CB-CD2 4.28Å; R757-W772 HydrophobicContact CB-CG 4.21Å; R757-W772 HydrophobicContact CG-CD2 4.26Å; R757-W772 HydrophobicContact CG-CZ2 4.15Å; R757-S923 PolarHBondContact NH2-O 2.83Å |
| 758 | C | 93.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.6 | 176.7 | 61.3 | 0 | 0 | 0 | 0 | 111 | G769 I770 H1119 | C758-G769 CarbonylContact O-C 3.6Å; C758-G769 WeakPolarHBondContact O-CA 3.4Å; C758-I770 PolarHBondContact N-O 3.15Å; C758-I770 PolarHBondContact O-N 2.84Å; C758-H1119 HydrophobicContact CB-CB 4.32Å |
| 759 | I | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 139.6 | -172.4 | -167.7 | 160.7 | 0 | 0 | 0 | 110.3 | W718 T720 I726 L756 V767 W768 W914 H1119 S1121 | W718-I759 HydrophobicContact CB-CD1 4.04Å; W718-I759 HydrophobicContact CB-CG1 4.16Å; W718-I759 HydrophobicContact CB-CG2 4.09Å; W718-I759 HydrophobicContact CD2-CD1 4.04Å; W718-I759 HydrophobicContact CE3-CD1 3.39Å; W718-I759 HydrophobicContact CG-CD1 4.34Å; W718-I759 HydrophobicContact CZ3-CD1 4.13Å; T720-I759 HydrophobicContact CG2-CB 4.12Å; T720-I759 HydrophobicContact CG2-CG2 3.9Å; I726-I759 HydrophobicContact CG2-CD1 3.73Å; L756-I759 HydrophobicContact CD1-CD1 4Å; L756-I759 HydrophobicContact CD1-CG1 4.43Å; I759-V767 HydrophobicContact CD1-CG1 3.86Å; I759-V767 HydrophobicContact CG1-CG1 3.79Å; I759-W768 WeakPolarHBondContact CA-O 3.32Å; I759-W768 WeakPolarHBondContact CG1-O 3.33Å; I759-W914 HydrophobicContact CD1-CH2 3.9Å; I759-W914 HydrophobicContact CD1-CZ2 4.49Å; I759-H1119 PolarHBondContact O-CE1 3.05Å; I759-H1119 VanDerWaalsContact O-CE1 3.31Å; I759-H1119 PolarHBondContact O-ND1 3.37Å; I759-S1121 WeakPolarHBondContact O-CB 3.32Å |
| 760 | E | 95.3 | Very high | 92 | Very high | 9 Ų | 9 | 14.4 Ų | 14.4 | 4% | 0.042 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.3 | -179.6 | -86.4 | -76.1 | 84.3 | 0 | 0 | 110.6 | V767 W768 I925 S926 L927 S1121 R1123 | E760-V767 CarbonylContact O-C 3.59Å; E760-V767 WeakPolarHBondContact O-CA 3.1Å; E760-W768 PolarHBondContact N-O 2.98Å; E760-W768 PolarHBondContact O-N 2.82Å; E760-W768 VanDerWaalsContact O-O 3.12Å; E760-I925 HydrophobicContact CB-CG2 4.47Å; E760-I925 HydrophobicContact CG-CG2 4.28Å; E760-I925 WeakPolarHBondContact CG-O 3.33Å; E760-S926 WeakPolarHBondContact OE2-CA 3.47Å; E760-S926 PolarHBondContact OE2-OG 2.88Å; E760-L927 HydrophobicContact CB-CD1 3.82Å; E760-L927 PolarHBondContact OE2-N 2.73Å; E760-S1121 WeakPolarHBondContact CA-OG 3.29Å; E760-S1121 VanDerWaalsContact OE1-CB 3.32Å; E760-S1121 WeakPolarHBondContact OE1-CB 3.48Å; E760-S1121 PolarHBondContact OE1-OG 3.47Å; E760-R1123 WeakPolarHBondContact OE1-CD 3.33Å; E760-R1123 WeakPolarHBondContact OE2-CD 3.45Å; E760-R1123 IonicContact OE2-NE 3.22Å; E760-R1123 PolarHBondContact OE2-NE 3.27Å |
| 761 | S | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.014 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 160 | -173.7 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | L766 S1121 R1123 G1124 | S761-L766 CarbonylContact C-O 3.56Å; S761-L766 WeakPolarHBondContact CA-O 3.49Å; S761-S1121 PolarHBondContact N-OG 3.34Å; S761-S1121 PolarHBondContact OG-O 3.42Å; S761-S1121 PolarHBondContact OG-OG 3.28Å; S761-R1123 CarbonylContact O-C 3.57Å; S761-R1123 WeakPolarHBondContact O-CB 3.13Å; S761-G1124 PolarHBondContact OG-N 3.18Å; S761-G1124 VanDerWaalsContact OG-N 3.11Å |
| 762 | N | 91.2 | Very high | 92 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | trans | -141.2 | 156.5 | 169.5 | 105.9 | -32 | 0 | 0 | 0 | 112.6 | L764 G765 L766 L927 M928 V939 | N762-L764 PolarHBondContact O-N 2.78Å; N762-L764 WeakPolarHBondContact OD1-CB 3.43Å; N762-L764 PolarHBondContact OD1-N 3.13Å; N762-L764 VanDerWaalsContact OD1-N 3.09Å; N762-G765 PolarHBondContact O-N 2.83Å; N762-L766 PolarHBondContact N-O 3.27Å; N762-L766 WeakPolarHBondContact OD1-CB 3.42Å; N762-L766 PolarHBondContact OD1-N 2.82Å; N762-L927 HydrophobicContact CB-CB 4.16Å; N762-L927 HydrophobicContact CB-CD2 4.14Å; N762-M928 PolarHBondContact ND2-O 2.82Å; N762-V939 WeakPolarHBondContact ND2-CG1 3.42Å | ||
| 763 | S | 87 | Confident | 92 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 5% | 0.049 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -6.6 | -172.9 | -50.3 | 0 | 0 | 0 | 0 | 115.5 | G765 C930 R1123 G1124 S1126 | S763-G765 VanDerWaalsContact C-N 3.31Å; S763-C930 VanDerWaalsContact CB-O 3.25Å; S763-C930 WeakPolarHBondContact CB-O 3.39Å; S763-C930 PolarHBondContact OG-O 2.93Å; S763-R1123 PolarHBondContact OG-O 3.42Å; S763-G1124 WeakPolarHBondContact CA-O 3.35Å; S763-G1124 WeakPolarHBondContact CB-O 3.24Å; S763-G1124 PolarHBondContact OG-O 2.97Å; S763-S1126 WeakPolarHBondContact CB-OG 3.23Å; S763-S1126 WeakPolarHBondContact OG-CB 3.27Å; S763-S1126 PolarHBondContact OG-OG 2.92Å |
| 764 | L | 86.5 | Confident | 92.1 | Very high | 21 Ų | 21 | 13.4 Ų | 13.4 | 11% | 0.11 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8 | 170.4 | -54.1 | -171.4 | 0 | 0 | 0 | 112.5 | K714 N762 S934 M936 V939 P958 | K714-L764 WeakPolarHBondContact CD-O 3.32Å; K714-L764 VanDerWaalsContact CE-O 3.23Å; K714-L764 WeakPolarHBondContact CE-O 3.16Å; K714-L764 PolarHBondContact NZ-O 3.26Å; N762-L764 PolarHBondContact O-N 2.78Å; N762-L764 WeakPolarHBondContact OD1-CB 3.43Å; N762-L764 PolarHBondContact OD1-N 3.13Å; N762-L764 VanDerWaalsContact OD1-N 3.09Å; L764-S934 WeakPolarHBondContact CD2-O 3.39Å; L764-M936 HydrophobicContact CD1-CB 4.39Å; L764-V939 HydrophobicContact CD1-CG2 3.69Å; L764-P958 HydrophobicContact CB-CG 4.16Å; L764-P958 HydrophobicContact CD1-CG 4.37Å |
| 765 | G | 86.4 | Confident | 92.3 | Very high | 32 Ų | 32 | 13.7 Ų | 13.7 | 33% | 0.33 | 8% | 0.075 | S | C | . | . | S | Bend | trans | 97.3 | 13.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N762 S763 | N762-G765 PolarHBondContact O-N 2.83Å; S763-G765 VanDerWaalsContact C-N 3.31Å |
| 766 | L | 91.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | trans | -80.5 | 135.3 | 172.1 | -62.2 | 178.2 | 0 | 0 | 0 | 109.9 | S761 N762 L927 V939 V956 P961 | S761-L766 CarbonylContact C-O 3.56Å; S761-L766 WeakPolarHBondContact CA-O 3.49Å; N762-L766 PolarHBondContact N-O 3.27Å; N762-L766 WeakPolarHBondContact OD1-CB 3.42Å; N762-L766 PolarHBondContact OD1-N 2.82Å; L766-L927 HydrophobicContact CB-CD2 3.76Å; L766-V939 HydrophobicContact CD1-CB 3.85Å; L766-V939 HydrophobicContact CD1-CG1 4.15Å; L766-V939 HydrophobicContact CD1-CG2 3.7Å; L766-V956 HydrophobicContact CD1-CG1 3.66Å; L766-P961 HydrophobicContact CD2-CB 3.7Å; L766-P961 HydrophobicContact CD2-CG 3.96Å | ||
| 767 | V | 94.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.036 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 123.1 | 175.8 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | W718 I759 E760 V778 Y779 W914 | W718-V767 HydrophobicContact CD2-CG1 3.88Å; W718-V767 HydrophobicContact CD2-CG2 4.32Å; W718-V767 HydrophobicContact CE3-CG1 4.11Å; W718-V767 HydrophobicContact CG-CG1 4.26Å; W718-V767 HydrophobicContact CZ2-CB 4.47Å; W718-V767 HydrophobicContact CZ2-CG1 4.34Å; W718-V767 HydrophobicContact CZ2-CG2 3.78Å; W718-V767 HydrophobicContact CZ3-CG1 4.41Å; I759-V767 HydrophobicContact CD1-CG1 3.86Å; I759-V767 HydrophobicContact CG1-CG1 3.79Å; E760-V767 CarbonylContact O-C 3.59Å; E760-V767 WeakPolarHBondContact O-CA 3.1Å; V767-V778 WeakPolarHBondContact O-CA 3.43Å; V767-Y779 PolarHBondContact O-N 2.91Å; V767-W914 HydrophobicContact CG1-CH2 4.07Å; V767-W914 HydrophobicContact CG1-CZ3 4.4Å |
| 768 | W | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 156.3 | 176.2 | -76.5 | 55.7 | 0 | 0 | 0 | 109.5 | I759 E760 A776 W777 V778 V917 I925 L927 R953 V956 P961 W966 | I759-W768 WeakPolarHBondContact CA-O 3.32Å; I759-W768 WeakPolarHBondContact CG1-O 3.33Å; E760-W768 PolarHBondContact N-O 2.98Å; E760-W768 PolarHBondContact O-N 2.82Å; E760-W768 VanDerWaalsContact O-O 3.12Å; W768-A776 HydrophobicContact CZ3-CB 4.4Å; W768-W777 CarbonylContact C-O 3.57Å; W768-W777 WeakPolarHBondContact CA-O 3.48Å; W768-V778 HydrophobicContact CD2-CG2 3.41Å; W768-V778 VanDerWaalsContact CD2-CG2 3.41Å; W768-V778 HydrophobicContact CE3-CG2 3.82Å; W768-V778 HydrophobicContact CG-CG2 3.75Å; W768-V778 HydrophobicContact CH2-CG2 4.24Å; W768-V778 HydrophobicContact CZ2-CG2 3.85Å; W768-V778 HydrophobicContact CZ3-CG2 4.22Å; W768-V917 HydrophobicContact CH2-CG1 4.01Å; W768-V917 HydrophobicContact CH2-CG2 4.33Å; W768-V917 HydrophobicContact CZ3-CB 4.37Å; W768-V917 HydrophobicContact CZ3-CG1 4.19Å; W768-V917 HydrophobicContact CZ3-CG2 4.39Å; W768-I925 HydrophobicContact CB-CD1 3.98Å; W768-I925 HydrophobicContact CD2-CD1 3.86Å; W768-I925 HydrophobicContact CE3-CD1 3.34Å; W768-I925 HydrophobicContact CG-CD1 4.18Å; W768-I925 HydrophobicContact CZ3-CD1 4.09Å; W768-L927 HydrophobicContact CB-CD1 3.81Å; W768-L927 HydrophobicContact CG-CD1 3.93Å; W768-R953 HydrophobicContact CH2-CG 3.91Å; W768-R953 HydrophobicContact CZ2-CG 4.25Å; W768-V956 HydrophobicContact CZ2-CG2 4.17Å; W768-P961 WeakPolarHBondContact CZ2-O 3.41Å; W768-P961 PolarHBondContact NE1-O 3.46Å; W768-W966 HydrophobicContact CH2-CH2 4.36Å; W768-W966 HydrophobicContact CH2-CZ2 4.33Å; W768-W966 AromaticContact CZ3-CH2 3.96Å; W768-W966 HydrophobicContact CZ3-CH2 3.96Å; W768-W966 AromaticContact CZ3-CZ2 3.93Å; W768-W966 HydrophobicContact CZ3-CZ2 3.93Å |
| 769 | G | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 169 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C758 W777 | C758-G769 CarbonylContact O-C 3.6Å; C758-G769 WeakPolarHBondContact O-CA 3.4Å; G769-W777 PolarHBondContact N-O 3.13Å; G769-W777 PolarHBondContact O-N 3.23Å |
| 770 | I | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.7 | -179.3 | -47.5 | 176.4 | 0 | 0 | 0 | 108.9 | R757 C758 T775 L922 I925 | R757-I770 PolarHBondContact N-O 2.68Å; C758-I770 PolarHBondContact N-O 3.15Å; C758-I770 PolarHBondContact O-N 2.84Å; I770-T775 WeakPolarHBondContact CA-O 3.48Å; I770-L922 HydrophobicContact CD1-CB 3.78Å; I770-L922 HydrophobicContact CG1-CB 4.37Å; I770-L922 HydrophobicContact CG2-CB 4.41Å; I770-L922 WeakPolarHBondContact CG2-O 3.4Å; I770-I925 HydrophobicContact CD1-CB 4.05Å; I770-I925 HydrophobicContact CD1-CG2 3.74Å; I770-I925 HydrophobicContact CG1-CG2 3.9Å |
| 771 | G | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -68.1 | 178.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R757 D773 G774 T775 D805 | R757-G771 PolarHBondContact NE-O 3.47Å; G771-D773 VanDerWaalsContact C-N 3.27Å; G771-G774 PolarHBondContact O-N 2.85Å; G771-T775 PolarHBondContact N-O 3.22Å; G771-D805 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 772 | W | 89.8 | Confident | 88.8 | Confident | 69 Ų | 69 | 16.7 Ų | 16.7 | 26% | 0.261 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -25.4 | 165.5 | -74.2 | 78.6 | 0 | 0 | 0 | 112.1 | H755 R757 G774 D805 R807 | H755-W772 AromaticContact CE1-CD1 3.44Å; H755-W772 VanDerWaalsContact CE1-CD1 3.44Å; H755-W772 AromaticContact CE1-NE1 3.91Å; R757-W772 HydrophobicContact CB-CD2 4.28Å; R757-W772 HydrophobicContact CB-CG 4.21Å; R757-W772 HydrophobicContact CG-CD2 4.26Å; R757-W772 HydrophobicContact CG-CZ2 4.15Å; W772-G774 VanDerWaalsContact C-N 3.28Å; W772-D805 WeakPolarHBondContact CA-OD1 3.28Å; W772-D805 VanDerWaalsContact N-CG 3.28Å; W772-D805 PolarHBondContact N-OD1 3.2Å; W772-D805 PolarHBondContact N-OD2 3.35Å; W772-R807 HydrophobicContact CB-CB 4.28Å; W772-R807 HydrophobicContact CE3-CG 4.32Å |
| 773 | D | 89.5 | Confident | 86.4 | Confident | 39 Ų | 39 | 19.9 Ų | 19.9 | 21% | 0.209 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -1.2 | 171.7 | 73.4 | -15 | 0 | 0 | 0 | 114.5 | G771 T775 D805 V806 H921 | G771-D773 VanDerWaalsContact C-N 3.27Å; D773-T775 VanDerWaalsContact C-N 3.29Å; D773-T775 PolarHBondContact O-N 2.63Å; D773-T775 WeakPolarHBondContact OD1-CB 3.44Å; D773-T775 PolarHBondContact OD1-N 3.3Å; D773-T775 PolarHBondContact OD1-OG1 2.91Å; D773-T775 VanDerWaalsContact OD1-OG1 3.11Å; D773-T775 PolarHBondContact OD2-OG1 3.4Å; D773-D805 PolarHBondContact N-OD1 2.76Å; D773-V806 HydrophobicContact CB-CB 4.03Å; D773-V806 PolarHBondContact N-O 2.95Å; D773-H921 PolarHBondContact O-ND1 3.39Å |
| 774 | G | 91.4 | Very high | 84.4 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | trans | 79.7 | 0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G771 W772 A776 H921 L922 | G771-G774 PolarHBondContact O-N 2.85Å; W772-G774 VanDerWaalsContact C-N 3.28Å; G774-A776 PolarHBondContact O-N 2.85Å; G774-H921 CarbonylContact O-C 3.27Å; G774-H921 WeakPolarHBondContact O-CA 3.49Å; G774-L922 WeakPolarHBondContact CA-O 3.49Å; G774-L922 PolarHBondContact O-N 2.93Å | ||
| 775 | T | 93.8 | Very high | 82.2 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 13% | 0.129 | 18% | 0.175 | C | C | . | . | trans | -68 | 131.2 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | I770 G771 D773 W777 M916 | I770-T775 WeakPolarHBondContact CA-O 3.48Å; G771-T775 PolarHBondContact N-O 3.22Å; D773-T775 VanDerWaalsContact C-N 3.29Å; D773-T775 PolarHBondContact O-N 2.63Å; D773-T775 WeakPolarHBondContact OD1-CB 3.44Å; D773-T775 PolarHBondContact OD1-N 3.3Å; D773-T775 PolarHBondContact OD1-OG1 2.91Å; D773-T775 VanDerWaalsContact OD1-OG1 3.11Å; D773-T775 PolarHBondContact OD2-OG1 3.4Å; T775-W777 HydrophobicContact CG2-CZ2 3.88Å; T775-W777 PolarHBondContact O-NE1 3.01Å; T775-M916 HydrophobicContact CG2-CG 3.68Å; T775-M916 HydrophobicContact CG2-SD 4.06Å | ||
| 776 | A | 95 | Very high | 79.8 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 137.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W768 G774 V917 L922 | W768-A776 HydrophobicContact CZ3-CB 4.4Å; G774-A776 PolarHBondContact O-N 2.85Å; A776-V917 HydrophobicContact CB-CB 4.17Å; A776-V917 PolarHBondContact O-N 2.75Å; A776-L922 HydrophobicContact CB-CD1 3.85Å |
| 777 | W | 94.4 | Very high | 77.1 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.019 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.8 | -179.7 | -62 | 91.1 | 0 | 0 | 0 | 111.1 | L756 W768 G769 T775 Q803 T804 W914 K915 M916 | L756-W777 HydrophobicContact CD2-CB 4.04Å; L756-W777 HydrophobicContact CD2-CG 4.15Å; W768-W777 CarbonylContact C-O 3.57Å; W768-W777 WeakPolarHBondContact CA-O 3.48Å; G769-W777 PolarHBondContact N-O 3.13Å; G769-W777 PolarHBondContact O-N 3.23Å; T775-W777 HydrophobicContact CG2-CZ2 3.88Å; T775-W777 PolarHBondContact O-NE1 3.01Å; W777-Q803 HydrophobicContact CD2-CG 3.79Å; W777-Q803 HydrophobicContact CE3-CB 4.46Å; W777-Q803 HydrophobicContact CE3-CG 3.85Å; W777-Q803 HydrophobicContact CH2-CB 4.21Å; W777-Q803 HydrophobicContact CH2-CG 3.81Å; W777-Q803 HydrophobicContact CZ2-CG 3.71Å; W777-Q803 HydrophobicContact CZ3-CB 4.12Å; W777-Q803 HydrophobicContact CZ3-CG 3.85Å; W777-T804 WeakPolarHBondContact CZ2-O 3.5Å; W777-W914 HydrophobicContact CB-CB 4.48Å; W777-W914 HydrophobicContact CB-CE3 4.23Å; W777-W914 HydrophobicContact CE3-CB 3.99Å; W777-K915 CarbonylContact C-O 3.55Å; W777-K915 WeakPolarHBondContact CA-O 3.42Å; W777-M916 HydrophobicContact CE3-CB 3.94Å; W777-M916 HydrophobicContact CH2-CB 3.78Å; W777-M916 HydrophobicContact CH2-CG 3.93Å; W777-M916 HydrophobicContact CH2-SD 4.1Å; W777-M916 HydrophobicContact CZ2-CB 4.39Å; W777-M916 HydrophobicContact CZ2-CG 4.1Å; W777-M916 HydrophobicContact CZ2-SD 4.31Å; W777-M916 HydrophobicContact CZ3-CB 3.56Å; W777-M916 HydrophobicContact CZ3-CG 4.18Å |
| 778 | V | 94.1 | Very high | 73.9 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.5 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | V767 W768 K915 V917 P961 | V767-V778 WeakPolarHBondContact O-CA 3.43Å; W768-V778 HydrophobicContact CD2-CG2 3.41Å; W768-V778 VanDerWaalsContact CD2-CG2 3.41Å; W768-V778 HydrophobicContact CE3-CG2 3.82Å; W768-V778 HydrophobicContact CG-CG2 3.75Å; W768-V778 HydrophobicContact CH2-CG2 4.24Å; W768-V778 HydrophobicContact CZ2-CG2 3.85Å; W768-V778 HydrophobicContact CZ3-CG2 4.22Å; V778-K915 PolarHBondContact N-O 2.92Å; V778-K915 PolarHBondContact O-N 2.87Å; V778-V917 HydrophobicContact CB-CG2 4.34Å; V778-V917 HydrophobicContact CG2-CG2 3.53Å; V778-P961 HydrophobicContact CG1-CB 3.46Å; V778-P961 VanDerWaalsContact CG1-CB 3.46Å |
| 779 | Y | 92.2 | Very high | 70.9 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 129.1 | -178.6 | -173.3 | -112.9 | 0 | 0 | 0 | 111.9 | A711 P712 W718 I752 V767 G781 P913 W914 | A711-Y779 WeakPolarHBondContact CB-OH 3.46Å; P712-Y779 WeakPolarHBondContact CD-OH 3.34Å; W718-Y779 HydrophobicContact CH2-CD1 4.43Å; W718-Y779 AromaticContact CH2-CD2 3.95Å; W718-Y779 HydrophobicContact CH2-CD2 3.95Å; W718-Y779 HydrophobicContact CH2-CE1 4.39Å; W718-Y779 AromaticContact CH2-CE2 3.91Å; W718-Y779 HydrophobicContact CH2-CE2 3.91Å; W718-Y779 HydrophobicContact CH2-CG 4.24Å; I752-Y779 HydrophobicContact CG2-CE2 4.45Å; V767-Y779 PolarHBondContact O-N 2.91Å; Y779-G781 VanDerWaalsContact CE1-CA 3.45Å; Y779-P913 CarbonylContact C-O 3.6Å; Y779-P913 WeakPolarHBondContact CA-O 3.38Å; Y779-P913 HydrophobicContact CD2-CB 4.2Å; Y779-P913 HydrophobicContact CD2-CG 3.84Å; Y779-P913 HydrophobicContact CE2-CB 3.84Å; Y779-P913 HydrophobicContact CE2-CG 3.36Å; Y779-W914 AromaticContact CD2-CH2 3.98Å; Y779-W914 HydrophobicContact CD2-CH2 3.98Å; Y779-W914 AromaticContact CD2-CZ2 3.93Å; Y779-W914 HydrophobicContact CD2-CZ2 3.93Å; Y779-W914 HydrophobicContact CD2-CZ3 4.36Å; Y779-W914 HydrophobicContact CG-CH2 4.39Å |
| 780 | S | 83.4 | Confident | 68.1 | Low | 34 Ų | 34 | 57.8 Ų | 57.8 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | trans | -89.7 | 1.9 | -175.5 | 72.6 | 0 | 0 | 0 | 0 | 114.8 | S782 P913 | S780-S782 PolarHBondContact O-N 2.9Å; S780-S782 PolarHBondContact O-OG 2.81Å; S780-S782 PolarHBondContact OG-OG 2.99Å; S780-P913 PolarHBondContact N-O 3.06Å; S780-P913 WeakPolarHBondContact OG-CA 3.5Å; S780-P913 WeakPolarHBondContact OG-CB 2.99Å; S780-P913 PolarHBondContact OG-O 3.3Å | ||
| 781 | G | 68.6 | Low | 65.1 | Low | 43 Ų | 43 | 66.3 Ų | 66.3 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 70.7 | -10 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116 | A711 Y779 F783 | A711-G781 WeakPolarHBondContact CB-O 3.48Å; Y779-G781 VanDerWaalsContact CE1-CA 3.45Å; G781-F783 PolarHBondContact O-N 3.18Å |
| 782 | S | 55.6 | Low | 62.1 | Low | 36 Ų | 36 | 70.6 Ų | 70.6 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | trans | -85.4 | 0.8 | -160.6 | -16.8 | 0 | 0 | 0 | 0 | 115.4 | S780 G784 P798 | S780-S782 PolarHBondContact O-N 2.9Å; S780-S782 PolarHBondContact O-OG 2.81Å; S780-S782 PolarHBondContact OG-OG 2.99Å; S782-G784 PolarHBondContact O-N 2.84Å; S782-G784 VanDerWaalsContact O-N 3.14Å; S782-P798 VanDerWaalsContact O-CB 3.28Å; S782-P798 WeakPolarHBondContact O-CB 3.34Å; S782-P798 WeakPolarHBondContact O-CG 3.4Å | ||
| 783 | F | 41.9 | Very low | 59.2 | Low | 69 Ų | 69 | 78.6 Ų | 78.6 | 30% | 0.303 | 45% | 0.453 | S | S | . | . | trans | -84.1 | 92.5 | -168.2 | -165.8 | -101.3 | 0 | 0 | 0 | 112.7 | G710 A711 I752 P753 G781 P913 | G710-F783 CarbonylContact C-O 3.59Å; G710-F783 VanDerWaalsContact C-O 3.27Å; A711-F783 WeakPolarHBondContact CA-O 3.45Å; A711-F783 PolarHBondContact N-O 2.85Å; A711-F783 VanDerWaalsContact N-O 3.08Å; I752-F783 HydrophobicContact CD1-CD1 4.35Å; P753-F783 HydrophobicContact CG-CE2 3.77Å; P753-F783 HydrophobicContact CG-CZ 3.66Å; G781-F783 PolarHBondContact O-N 3.18Å; F783-P913 HydrophobicContact CB-CB 4.11Å; F783-P913 HydrophobicContact CB-CG 3.98Å; F783-P913 HydrophobicContact CD2-CG 4.39Å; F783-P913 HydrophobicContact CG-CG 4.39Å | ||
| 784 | G | 43.9 | Very low | 56.6 | Low | 34 Ų | 34 | 83 Ų | 83 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | trans | -171 | 133.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S782 | S782-G784 PolarHBondContact O-N 2.84Å; S782-G784 VanDerWaalsContact O-N 3.14Å | ||
| 785 | R | 41.3 | Very low | 53.7 | Low | 239 Ų | 239 | 87.6 Ų | 87.6 | 90% | 0.902 | 52% | 0.515 | S | S | * | . | trans | -94.3 | 106.3 | 172.4 | -169.9 | -177.9 | -169.3 | -172.9 | 4 | 108.7 | ||||
| 786 | Q | 36.3 | Very low | 51 | Low | 179 Ų | 179 | 92.7 Ų | 92.7 | 84% | 0.836 | 55% | 0.546 | S | S | * | . | trans | -61.5 | 137.4 | 174 | -81 | -167.1 | -18.1 | 0 | 0 | 110.7 | S788 | Q786-S788 PolarHBondContact O-N 3.42Š| ||
| 787 | P | 33.1 | Very low | 48.6 | Very low | 115 Ų | 115 | 99.5 Ų | 99.5 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | trans | -67.5 | 131.7 | 169.7 | 28.9 | -33.2 | 0 | 0 | 0 | 109.3 | S789 | P787-S789 PolarHBondContact O-N 3.24Š| ||
| 788 | S | 29.1 | Very low | 46.6 | Very low | 125 Ų | 125 | 101.8 Ų | 101.8 | 87% | 0.874 | 60% | 0.598 | S | S | * | * | trans | -78.6 | 79 | -172.9 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | Q786 | Q786-S788 PolarHBondContact O-N 3.42Š| ||
| 789 | S | 32.9 | Very low | 45.1 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | trans | -71.1 | 138.3 | 155.1 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | P787 | P787-S789 PolarHBondContact O-N 3.24Š| ||
| 790 | G | 36.3 | Very low | 44.4 | Very low | 67 Ų | 67 | 110.8 Ų | 110.8 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -68 | 155.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 791 | N | 32.6 | Very low | 44.4 | Very low | 180 Ų | 180 | 111.8 Ų | 111.8 | 96% | 0.963 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 76 | 37.7 | 166.8 | -56.3 | -10.8 | 0 | 0 | 0 | 118.3 | ||
| 792 | A | 29.2 | Very low | 45.3 | Very low | 90 Ų | 90 | 114.6 Ų | 114.6 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | trans | -120 | 148.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 793 | R | 29.3 | Very low | 46.9 | Very low | 236 Ų | 236 | 112.9 Ų | 112.9 | 89% | 0.891 | 64% | 0.636 | S | S | * | * | trans | -73.2 | 137.8 | 174 | -74.3 | -179.7 | 173.7 | 173.6 | -2.1 | 109.6 | S795 | R793-S795 PolarHBondContact O-N 3.26Š| ||
| 794 | P | 33.5 | Very low | 49.2 | Very low | 132 Ų | 132 | 111.3 Ų | 111.3 | 86% | 0.857 | 63% | 0.632 | S | S | * | * | trans | -72.9 | 99.8 | 179.9 | 29.5 | -34.4 | 0 | 0 | 0 | 111.1 | ||||
| 795 | S | 31.5 | Very low | 51.4 | Low | 104 Ų | 104 | 109.8 Ų | 109.8 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | trans | -92 | 110.1 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 111.1 | R793 | R793-S795 PolarHBondContact O-N 3.26Š| ||
| 796 | V | 37.4 | Very low | 53.8 | Low | 128 Ų | 128 | 100 Ų | 100 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | trans | 68.1 | 113.7 | 170.1 | -170.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 797 | N | 43.3 | Very low | 56.2 | Low | 144 Ų | 144 | 94.7 Ų | 94.7 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | trans | -67.7 | 149 | 165.2 | -72.7 | -37.9 | 0 | 0 | 0 | 109.9 | E799 | N797-E799 PolarHBondContact O-N 2.64Š| ||
| 798 | P | 53.5 | Low | 58.9 | Low | 54 Ų | 54 | 91.7 Ų | 91.7 | 35% | 0.351 | 54% | 0.536 | S | S | . | . | trans | -47.8 | 127.1 | 168.6 | -31.1 | 38 | 0 | 0 | 0 | 112.7 | S782 I800 | S782-P798 VanDerWaalsContact O-CB 3.28Å; S782-P798 WeakPolarHBondContact O-CB 3.34Å; S782-P798 WeakPolarHBondContact O-CG 3.4Å; P798-I800 HydrophobicContact CB-CG1 4.1Å; P798-I800 PolarHBondContact O-N 2.69Å | ||
| 799 | E | 61.8 | Low | 61.6 | Low | 109 Ų | 109 | 86.9 Ų | 86.9 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | trans | -73.7 | 76.4 | 174.5 | -66.6 | -163.8 | 152.4 | 0 | 0 | 110.6 | N797 H801 | N797-E799 PolarHBondContact O-N 2.64Å; E799-H801 PolarHBondContact O-N 3Å; E799-H801 VanDerWaalsContact O-N 3.13Å; E799-H801 PolarHBondContact O-ND1 3Å; E799-H801 IonicContact OE2-CE1 3.44Å | ||
| 800 | I | 76.8 | Confident | 64.3 | Low | 101 Ų | 101 | 84.6 Ų | 84.6 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | trans | -75.6 | 100.8 | 175.7 | -60.3 | 175.8 | 0 | 0 | 0 | 108.3 | P798 R911 | P798-I800 HydrophobicContact CB-CG1 4.1Å; P798-I800 PolarHBondContact O-N 2.69Å; I800-R911 HydrophobicContact CG2-CB 3.67Å; I800-R911 HydrophobicContact CG2-CG 4.36Å | ||
| 801 | H | 83.5 | Confident | 66.9 | Low | 55 Ų | 55 | 81.5 Ų | 81.5 | 26% | 0.255 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 159.5 | 178.1 | -71.7 | 78 | 0 | 0 | 0 | 111.3 | E799 R911 G912 W914 | E799-H801 PolarHBondContact O-N 3Å; E799-H801 VanDerWaalsContact O-N 3.13Å; E799-H801 PolarHBondContact O-ND1 3Å; E799-H801 IonicContact OE2-CE1 3.44Å; H801-R911 WeakPolarHBondContact O-CA 2.98Å; H801-G912 PolarHBondContact N-O 3.08Å; H801-G912 PolarHBondContact O-N 3.01Å; H801-W914 WeakPolarHBondContact CB-O 3.31Å |
| 802 | L | 87.6 | Confident | 69.7 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.4 | 171.6 | -167.9 | 74.1 | 0 | 0 | 0 | 109 | T909 R911 | L802-T909 HydrophobicContact CD1-CG2 3.62Å; L802-T909 HydrophobicContact CD2-CG2 4.16Å; L802-T909 HydrophobicContact CG-CG2 3.92Å; L802-R911 HydrophobicContact CD1-CG 4Å |
| 803 | Q | 90.3 | Very high | 72.7 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.1 | 175.3 | -169 | -180 | 21.8 | 0 | 0 | 109.7 | H755 W777 T909 V910 | H755-Q803 PolarHBondContact O-NE2 2.93Å; W777-Q803 HydrophobicContact CD2-CG 3.79Å; W777-Q803 HydrophobicContact CE3-CB 4.46Å; W777-Q803 HydrophobicContact CE3-CG 3.85Å; W777-Q803 HydrophobicContact CH2-CB 4.21Å; W777-Q803 HydrophobicContact CH2-CG 3.81Å; W777-Q803 HydrophobicContact CZ2-CG 3.71Å; W777-Q803 HydrophobicContact CZ3-CB 4.12Å; W777-Q803 HydrophobicContact CZ3-CG 3.85Å; Q803-T909 WeakPolarHBondContact O-CA 3.41Å; Q803-V910 HydrophobicContact CB-CG2 3.9Å; Q803-V910 HydrophobicContact CG-CG2 4.49Å; Q803-V910 PolarHBondContact N-O 2.61Å; Q803-V910 PolarHBondContact O-N 3.34Å |
| 804 | T | 90.1 | Very high | 75.6 | Confident | 36 Ų | 36 | 58.9 Ų | 58.9 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.3 | 175.3 | 64.1 | 0 | 0 | 0 | 0 | 110 | W777 T909 | W777-T804 WeakPolarHBondContact CZ2-O 3.5Å; T804-T909 HydrophobicContact CG2-CG2 3.99Å |
| 805 | D | 90.6 | Very high | 78.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.5 | 178.7 | -168.7 | -0.9 | 0 | 0 | 0 | 109.2 | H755 G771 W772 D773 K907 I908 | H755-D805 IonicContact CE1-OD2 3.85Å; H755-D805 PolarHBondContact CE1-OD2 3.09Å; H755-D805 VanDerWaalsContact CE1-OD2 3.23Å; H755-D805 IonicContact ND1-OD2 3.09Å; H755-D805 PolarHBondContact ND1-OD2 2.63Å; G771-D805 WeakPolarHBondContact CA-OD2 3.37Å; W772-D805 WeakPolarHBondContact CA-OD1 3.28Å; W772-D805 VanDerWaalsContact N-CG 3.28Å; W772-D805 PolarHBondContact N-OD1 3.2Å; W772-D805 PolarHBondContact N-OD2 3.35Å; D773-D805 PolarHBondContact N-OD1 2.76Å; D805-K907 WeakPolarHBondContact O-CA 3.17Å; D805-I908 HydrophobicContact CB-CG2 3.79Å; D805-I908 PolarHBondContact N-O 3.39Å; D805-I908 PolarHBondContact O-N 3.34Å |
| 806 | V | 90.1 | Very high | 81.2 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120 | -171.7 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | D773 R905 C906 K907 | D773-V806 HydrophobicContact CB-CB 4.03Å; D773-V806 PolarHBondContact N-O 2.95Å; V806-R905 HydrophobicContact CG1-CB 4.03Å; V806-C906 CarbonylContact C-O 3.53Å; V806-C906 WeakPolarHBondContact CA-O 3.41Å; V806-C906 WeakPolarHBondContact CG1-O 3.36Å; V806-K907 HydrophobicContact CG2-CB 4.25Å; V806-K907 HydrophobicContact CG2-CD 4.5Å; V806-K907 HydrophobicContact CG2-CG 4.1Å |
| 807 | R | 88 | Confident | 83.6 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 25% | 0.249 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.7 | -179.4 | -175.7 | 169.6 | 178.9 | 161.3 | 2.5 | 110.3 | W772 W856 R905 C906 | W772-R807 HydrophobicContact CB-CB 4.28Å; W772-R807 HydrophobicContact CE3-CG 4.32Å; R807-W856 HydrophobicContact CB-CH2 3.47Å; R807-W856 VanDerWaalsContact CB-CH2 3.47Å; R807-W856 HydrophobicContact CB-CZ2 4.24Å; R807-W856 HydrophobicContact CB-CZ3 3.66Å; R807-R905 WeakPolarHBondContact O-CA 3.22Å; R807-C906 PolarHBondContact N-O 3.27Å; R807-C906 PolarHBondContact O-N 3.26Å; R807-C906 PolarHBondContact O-SG 3.47Å |
| 808 | S | 88.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127 | 166 | -69 | 0 | 0 | 0 | 0 | 109.5 | H810 | S808-H810 WeakPolarHBondContact CB-NE2 3.29Å |
| 809 | V | 87.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.7 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 108 | T849 W858 W862 T903 R904 | V809-T849 HydrophobicContact CG1-CG2 3.78Å; V809-W858 HydrophobicContact CB-CH2 3.88Å; V809-W858 HydrophobicContact CB-CZ3 4.07Å; V809-W858 HydrophobicContact CG1-CH2 4.2Å; V809-W858 HydrophobicContact CG2-CH2 3.81Å; V809-W858 HydrophobicContact CG2-CZ3 3.91Å; V809-W862 HydrophobicContact CG1-CH2 4.36Å; V809-T903 WeakPolarHBondContact O-CA 3.34Å; V809-R904 PolarHBondContact N-O 3.02Å; V809-R904 PolarHBondContact O-N 3.03Å |
| 810 | H | 89.6 | Confident | 87.8 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141.4 | -175.5 | -52.2 | 121 | 0 | 0 | 0 | 111 | S808 Y812 R901 W902 T903 | S808-H810 WeakPolarHBondContact CB-NE2 3.29Å; H810-Y812 HydrophobicContact CB-CE2 4.21Å; H810-R901 HydrophobicContact CB-CG 4.36Å; H810-W902 WeakPolarHBondContact CA-O 3.37Å; H810-T903 PolarHBondContact CD2-OG1 2.95Å; H810-T903 VanDerWaalsContact CD2-OG1 3.31Å |
| 811 | V | 90.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.8 | 171.6 | 164 | 0 | 0 | 0 | 0 | 107.8 | W835 C844 T849 W862 W902 | V811-W835 HydrophobicContact CG1-CE3 3.6Å; V811-W835 HydrophobicContact CG1-CZ3 3.97Å; V811-C844 VanDerWaalsContact CG1-O 3.25Å; V811-C844 WeakPolarHBondContact CG1-O 3.36Å; V811-T849 HydrophobicContact CG2-CG2 4.33Å; V811-T849 WeakPolarHBondContact CG2-OG1 3.43Å; V811-W862 HydrophobicContact CB-CH2 4.07Å; V811-W862 HydrophobicContact CB-CZ3 4Å; V811-W862 HydrophobicContact CG2-CH2 3.5Å; V811-W862 VanDerWaalsContact CG2-CH2 3.5Å; V811-W862 HydrophobicContact CG2-CZ2 4.17Å; V811-W862 HydrophobicContact CG2-CZ3 3.95Å; V811-W902 PolarHBondContact N-O 3.39Å; V811-W902 PolarHBondContact O-N 3.26Å |
| 812 | Y | 89.8 | Confident | 88.3 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.5 | -176 | -70.5 | -90.4 | 0 | 0 | 0 | 111.2 | H810 W835 S836 E838 R901 | H810-Y812 HydrophobicContact CB-CE2 4.21Å; Y812-W835 CarbonylContact O-C 3.11Å; Y812-W835 WeakPolarHBondContact O-CA 3.36Å; Y812-S836 PolarHBondContact N-O 3.46Å; Y812-S836 PolarHBondContact O-N 3.32Å; Y812-E838 HydrophobicContact CD2-CB 4.36Å; Y812-E838 HydrophobicContact CE2-CB 3.78Å; Y812-E838 HydrophobicContact CE2-CG 3.8Å; Y812-E838 WeakPolarHBondContact CE2-OE1 3.24Å; Y812-E838 PolarHBondContact OH-OE1 2.98Å; Y812-R901 HydrophobicContact CD1-CB 4.08Å; Y812-R901 HydrophobicContact CD1-CG 4.34Å; Y812-R901 HydrophobicContact CE1-CB 3.73Å; Y812-R901 HydrophobicContact CE1-CG 3.79Å; Y812-R901 VanDerWaalsContact OH-CD 3.24Å; Y812-R901 WeakPolarHBondContact OH-CD 3.36Å |
| 813 | E | 92.6 | Very high | 88.3 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 113.8 | 172 | 179.9 | -174.5 | 175.6 | 0 | 0 | 108.5 | W835 W877 R899 R900 W902 | E813-W835 HydrophobicContact CB-CE3 4.21Å; E813-W835 HydrophobicContact CB-CH2 3.73Å; E813-W835 HydrophobicContact CB-CZ2 4.09Å; E813-W835 HydrophobicContact CB-CZ3 3.8Å; E813-W835 HydrophobicContact CG-CH2 3.83Å; E813-W835 HydrophobicContact CG-CZ2 3.71Å; E813-W835 HydrophobicContact CG-CZ3 4.36Å; E813-W877 HydrophobicContact CG-CH2 4.1Å; E813-W877 HydrophobicContact CG-CZ3 4.3Å; E813-W877 WeakPolarHBondContact OE1-CH2 3.44Å; E813-R899 CarbonylContact O-C 3.57Å; E813-R899 WeakPolarHBondContact O-CA 3.47Å; E813-R900 HydrophobicContact CB-CB 4.37Å; E813-R900 VanDerWaalsContact CD-NH2 3.27Å; E813-R900 PolarHBondContact N-O 3.11Å; E813-R900 PolarHBondContact O-N 3.15Å; E813-R900 IonicContact OE1-CZ 3.97Å; E813-R900 IonicContact OE1-NH2 2.98Å; E813-R900 PolarHBondContact OE1-NH2 3.29Å; E813-R900 IonicContact OE2-CZ 3.23Å; E813-R900 VanDerWaalsContact OE2-CZ 3.23Å; E813-R900 IonicContact OE2-NE 3.36Å; E813-R900 PolarHBondContact OE2-NE 3.1Å; E813-R900 IonicContact OE2-NH2 2.8Å; E813-R900 PolarHBondContact OE2-NH2 2.9Å; E813-W902 PolarHBondContact OE2-NE1 2.73Å |
| 814 | N | 90.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 139.8 | -175.6 | -62.2 | -52 | 0 | 0 | 0 | 110.6 | P833 M834 S836 F883 R899 | N814-P833 PolarHBondContact ND2-O 2.94Å; N814-M834 PolarHBondContact N-O 2.83Å; N814-S836 WeakPolarHBondContact ND2-CB 3.4Å; N814-S836 PolarHBondContact ND2-OG 2.96Å; N814-F883 HydrophobicContact CB-CE1 3.81Å; N814-F883 HydrophobicContact CB-CZ 4.03Å; N814-R899 WeakPolarHBondContact OD1-CB 3.13Å |
| 815 | Q | 92.1 | Very high | 87.6 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 13% | 0.126 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.7 | 176.9 | -67.3 | -174.8 | -7.3 | 0 | 0 | 111.9 | T824 W877 V897 R898 | Q815-T824 VanDerWaalsContact CA-O 3.3Å; Q815-T824 WeakPolarHBondContact CA-O 3.48Å; Q815-T824 WeakPolarHBondContact CB-O 3.37Å; Q815-W877 VanDerWaalsContact CD-CH2 3.44Å; Q815-W877 HydrophobicContact CG-CH2 4.09Å; Q815-W877 HydrophobicContact CG-CZ3 4.19Å; Q815-V897 WeakPolarHBondContact O-CA 3.36Å; Q815-R898 HydrophobicContact CB-CG 3.99Å; Q815-R898 PolarHBondContact N-O 3.08Å; Q815-R898 PolarHBondContact O-N 3.2Å |
| 816 | R | 89.6 | Confident | 86.9 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 22% | 0.223 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.4 | 178.8 | -172.2 | 165.8 | -168.2 | 139.9 | 13.3 | 112.2 | Y823 T824 D831 | R816-Y823 CarbonylContact O-C 2.93Å; R816-Y823 WeakPolarHBondContact O-CA 3.5Å; R816-T824 PolarHBondContact N-O 3.26Å; R816-T824 PolarHBondContact O-N 2.84Å; R816-T824 PolarHBondContact O-OG1 3Å; R816-D831 WeakPolarHBondContact CD-OD2 3.41Å; R816-D831 IonicContact CZ-OD2 3.69Å; R816-D831 IonicContact NE-OD2 3.83Å; R816-D831 IonicContact NH1-OD1 3.22Å; R816-D831 PolarHBondContact NH1-OD1 2.86Å; R816-D831 IonicContact NH1-OD2 2.68Å; R816-D831 PolarHBondContact NH1-OD2 3.49Å |
| 817 | W | 88.9 | Confident | 86.3 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.1 | 177.3 | -173.2 | 82.4 | 0 | 0 | 0 | 112.1 | P819 Y823 F896 | W817-P819 HydrophobicContact CE3-CG 4.39Å; W817-P819 HydrophobicContact CH2-CB 4.01Å; W817-P819 HydrophobicContact CH2-CG 3.93Å; W817-P819 HydrophobicContact CZ3-CB 4.25Å; W817-P819 HydrophobicContact CZ3-CG 3.65Å; W817-Y823 HydrophobicContact CB-CD1 3.83Å; W817-Y823 HydrophobicContact CB-CE1 3.68Å; W817-Y823 HydrophobicContact CG-CE1 4.4Å; W817-F896 WeakPolarHBondContact CB-O 2.8Å; W817-F896 AromaticContact CE3-CD1 3.8Å; W817-F896 HydrophobicContact CE3-CD1 3.8Å; W817-F896 HydrophobicContact CE3-CE1 4.13Å; W817-F896 HydrophobicContact CZ3-CD1 4.32Å; W817-F896 HydrophobicContact CZ3-CE1 4.19Å; W817-F896 PolarHBondContact N-O 3.13Å |
| 818 | N | 84.6 | Confident | 85.9 | Confident | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.3 | 175.6 | -179.8 | -44.4 | 0 | 0 | 0 | 109 | M820 T821 G822 | N818-M820 PolarHBondContact O-N 3.39Å; N818-M820 VanDerWaalsContact O-N 3.09Å; N818-M820 PolarHBondContact OD1-N 3.47Å; N818-T821 WeakPolarHBondContact CB-OG1 3.45Å; N818-T821 PolarHBondContact O-N 3.39Å; N818-G822 PolarHBondContact N-O 3.02Å; N818-G822 PolarHBondContact O-N 3.09Å |
| 819 | P | 81.1 | Confident | 85.2 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 67% | 0.669 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.2 | -179.3 | -27.3 | 32.9 | 0 | 0 | 0 | 116.1 | W817 | W817-P819 HydrophobicContact CE3-CG 4.39Å; W817-P819 HydrophobicContact CH2-CB 4.01Å; W817-P819 HydrophobicContact CH2-CG 3.93Å; W817-P819 HydrophobicContact CZ3-CB 4.25Å; W817-P819 HydrophobicContact CZ3-CG 3.65Å |
| 820 | M | 80.8 | Confident | 84.6 | Confident | 174 Ų | 174 | 69 Ų | 69 | 86% | 0.857 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -18.1 | -176.3 | -60.7 | -153.2 | -58.7 | 0 | 0 | 114.4 | N818 | N818-M820 PolarHBondContact O-N 3.39Å; N818-M820 VanDerWaalsContact O-N 3.09Å; N818-M820 PolarHBondContact OD1-N 3.47Å |
| 821 | T | 82.7 | Confident | 84.2 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | -0.3 | -171.5 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | N818 T824 | N818-T821 WeakPolarHBondContact CB-OG1 3.45Å; N818-T821 PolarHBondContact O-N 3.39Å; T821-T824 WeakPolarHBondContact OG1-CG2 3.25Å |
| 822 | G | 87.3 | Confident | 83.8 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 27% | 0.268 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.4 | -150.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N818 | N818-G822 PolarHBondContact N-O 3.02Å; N818-G822 PolarHBondContact O-N 3.09Å |
| 823 | Y | 87.9 | Confident | 83.5 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 13% | 0.125 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 130.8 | 176.8 | -65.1 | -76.7 | 0 | 0 | 0 | 111 | R816 W817 Y879 K891 D895 R898 | R816-Y823 CarbonylContact O-C 2.93Å; R816-Y823 WeakPolarHBondContact O-CA 3.5Å; W817-Y823 HydrophobicContact CB-CD1 3.83Å; W817-Y823 HydrophobicContact CB-CE1 3.68Å; W817-Y823 HydrophobicContact CG-CE1 4.4Å; Y823-Y879 HydrophobicContact CD2-CE1 4.47Å; Y823-Y879 HydrophobicContact CE2-CD1 4.17Å; Y823-Y879 AromaticContact CE2-CE1 3.67Å; Y823-Y879 HydrophobicContact CE2-CE1 3.67Å; Y823-Y879 AromaticContact CZ-CD1 3.84Å; Y823-Y879 AromaticContact CZ-CE1 3.84Å; Y823-Y879 WeakPolarHBondContact OH-CD1 3.39Å; Y823-K891 HydrophobicContact CE2-CD 4.19Å; Y823-D895 PolarHBondContact OH-O 2.85Å; Y823-R898 HydrophobicContact CD1-CB 4.3Å; Y823-R898 HydrophobicContact CD1-CG 3.71Å; Y823-R898 HydrophobicContact CD2-CG 4.4Å; Y823-R898 HydrophobicContact CE1-CB 4.17Å; Y823-R898 HydrophobicContact CE1-CG 4.09Å; Y823-R898 HydrophobicContact CG-CG 3.91Å |
| 824 | T | 87.1 | Confident | 83.2 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 162.2 | -176 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | Q815 R816 T821 K826 | Q815-T824 VanDerWaalsContact CA-O 3.3Å; Q815-T824 WeakPolarHBondContact CA-O 3.48Å; Q815-T824 WeakPolarHBondContact CB-O 3.37Å; R816-T824 PolarHBondContact N-O 3.26Å; R816-T824 PolarHBondContact O-N 2.84Å; R816-T824 PolarHBondContact O-OG1 3Å; T821-T824 WeakPolarHBondContact OG1-CG2 3.25Å; T824-K826 PolarHBondContact O-N 3.25Å |
| 825 | D | 78.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 75.8 Ų | 75.8 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -78.9 | 20.8 | 171.7 | 62.9 | -25.4 | 0 | 0 | 0 | 113.5 | M834 | D825-M834 VanDerWaalsContact C-SD 3.5Å; D825-M834 WeakPolarHBondContact O-CG 3.41Å |
| 826 | K | 77.1 | Confident | 83 | Confident | 157 Ų | 157 | 74.6 Ų | 74.6 | 68% | 0.683 | 40% | 0.401 | S | S | * | . | trans | -128.7 | 92.1 | -176.1 | -64.9 | -177.9 | -174.4 | 179.2 | 0 | 110.6 | T824 | T824-K826 PolarHBondContact O-N 3.25Š| ||
| 827 | G | 77.7 | Confident | 82.7 | Confident | 31 Ų | 31 | 73.7 Ų | 73.7 | 32% | 0.32 | 40% | 0.401 | S | S | . | . | trans | -76.6 | 174.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.6 | D831 | G827-D831 WeakPolarHBondContact CA-OD2 3.36Š| ||
| 828 | L | 78.6 | Confident | 82.3 | Confident | 95 Ų | 95 | 74.7 Ų | 74.7 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | trans | -77.8 | 163 | 164.8 | -56.4 | -179.7 | 0 | 0 | 0 | 110.6 | T830 D831 | L828-T830 PolarHBondContact O-N 2.67Å; L828-D831 VanDerWaalsContact N-CG 3.34Å; L828-D831 PolarHBondContact N-OD2 2.89Å; L828-D831 WeakPolarHBondContact O-CB 3.3Å; L828-D831 PolarHBondContact O-N 2.93Å | ||
| 829 | P | 73.5 | Confident | 81.9 | Confident | 143 Ų | 143 | 74.4 Ų | 74.4 | 93% | 0.929 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.5 | 176.1 | -24.1 | 35.2 | 0 | 0 | 0 | 115.3 | ||
| 830 | T | 76.3 | Confident | 81.7 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 76% | 0.755 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.2 | 176 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | L828 | L828-T830 PolarHBondContact O-N 2.67Š|
| 831 | D | 79.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 68.6 Ų | 68.6 | 15% | 0.15 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -88.9 | 161.2 | -169 | -64.9 | -2.1 | 0 | 0 | 0 | 112 | R816 G827 L828 F883 | R816-D831 WeakPolarHBondContact CD-OD2 3.41Å; R816-D831 IonicContact CZ-OD2 3.69Å; R816-D831 IonicContact NE-OD2 3.83Å; R816-D831 IonicContact NH1-OD1 3.22Å; R816-D831 PolarHBondContact NH1-OD1 2.86Å; R816-D831 IonicContact NH1-OD2 2.68Å; R816-D831 PolarHBondContact NH1-OD2 3.49Å; G827-D831 WeakPolarHBondContact CA-OD2 3.36Å; L828-D831 VanDerWaalsContact N-CG 3.34Å; L828-D831 PolarHBondContact N-OD2 2.89Å; L828-D831 WeakPolarHBondContact O-CB 3.3Å; L828-D831 PolarHBondContact O-N 2.93Å; D831-F883 HydrophobicContact CB-CD2 4.37Å; D831-F883 HydrophobicContact CB-CE2 3.94Å |
| 832 | R | 82.3 | Confident | 81.6 | Confident | 63 Ų | 63 | 71 Ų | 71 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 149.5 | 170.8 | -64.9 | -172.6 | 168.5 | 133.2 | 10.4 | 110.9 | M834 G840 F883 | R832-M834 WeakPolarHBondContact O-CE 3.09Å; R832-M834 PolarHBondContact O-N 2.92Å; R832-G840 WeakPolarHBondContact CG-O 3.25Å; R832-F883 HydrophobicContact CG-CB 4.24Å; R832-F883 HydrophobicContact CG-CD1 4.26Å; R832-F883 HydrophobicContact CG-CD2 4.39Å; R832-F883 HydrophobicContact CG-CG 4.05Å; R832-F883 PolarHBondContact NH1-O 2.75Å; R832-F883 PolarHBondContact NH2-O 3.21Å |
| 833 | P | 84.4 | Confident | 81.5 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 136.8 | 166.3 | -26.4 | 35.8 | 0 | 0 | 0 | 111.4 | N814 W835 G840 E843 | N814-P833 PolarHBondContact ND2-O 2.94Å; P833-W835 PolarHBondContact O-N 3.05Å; P833-W835 VanDerWaalsContact O-N 3.11Å; P833-G840 WeakPolarHBondContact CD-O 3.32Å; P833-E843 HydrophobicContact CB-CB 3.87Å; P833-E843 HydrophobicContact CB-CG 4.1Å; P833-E843 HydrophobicContact CG-CB 4.08Å |
| 834 | M | 86.8 | Confident | 81.3 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -62.4 | -20.1 | -179.4 | -59.2 | -68.6 | 96.4 | 0 | 0 | 112.5 | N814 D825 R832 | N814-M834 PolarHBondContact N-O 2.83Å; D825-M834 VanDerWaalsContact C-SD 3.5Å; D825-M834 WeakPolarHBondContact O-CG 3.41Å; R832-M834 WeakPolarHBondContact O-CE 3.09Å; R832-M834 PolarHBondContact O-N 2.92Å |
| 835 | W | 89.3 | Confident | 81.3 | Confident | 70 Ų | 70 | 76.7 Ų | 76.7 | 27% | 0.265 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 110 | 166.2 | -74.9 | 91.5 | 0 | 0 | 0 | 108.4 | V811 Y812 E813 P833 E843 C844 T845 K846 W902 | V811-W835 HydrophobicContact CG1-CE3 3.6Å; V811-W835 HydrophobicContact CG1-CZ3 3.97Å; Y812-W835 CarbonylContact O-C 3.11Å; Y812-W835 WeakPolarHBondContact O-CA 3.36Å; E813-W835 HydrophobicContact CB-CE3 4.21Å; E813-W835 HydrophobicContact CB-CH2 3.73Å; E813-W835 HydrophobicContact CB-CZ2 4.09Å; E813-W835 HydrophobicContact CB-CZ3 3.8Å; E813-W835 HydrophobicContact CG-CH2 3.83Å; E813-W835 HydrophobicContact CG-CZ2 3.71Å; E813-W835 HydrophobicContact CG-CZ3 4.36Å; P833-W835 PolarHBondContact O-N 3.05Å; P833-W835 VanDerWaalsContact O-N 3.11Å; W835-E843 CarbonylContact O-C 3.6Å; W835-E843 WeakPolarHBondContact O-CA 3.45Å; W835-C844 CarbonylContact C-O 3.59Å; W835-C844 PolarHBondContact O-N 3.02Å; W835-T845 HydrophobicContact CB-CG2 4.07Å; W835-T845 HydrophobicContact CG-CG2 4.45Å; W835-K846 HydrophobicContact CE3-CG 4.48Å; W835-K846 HydrophobicContact CH2-CD 4.14Å; W835-K846 HydrophobicContact CH2-CG 4.41Å; W835-K846 HydrophobicContact CZ3-CD 4.13Å; W835-K846 HydrophobicContact CZ3-CG 3.93Å; W835-W902 AromaticContact CH2-CD1 3.88Å; W835-W902 AromaticContact CH2-NE1 3.58Å; W835-W902 AromaticContact CZ3-CD1 3.66Å; W835-W902 HydrophobicContact CZ3-CG 4.33Å; W835-W902 AromaticContact CZ3-NE1 3.87Å |
| 836 | S | 88.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 164.4 | -172.8 | 76.9 | 0 | 0 | 0 | 0 | 114.3 | Y812 N814 K842 | Y812-S836 PolarHBondContact N-O 3.46Å; Y812-S836 PolarHBondContact O-N 3.32Å; N814-S836 WeakPolarHBondContact ND2-CB 3.4Å; N814-S836 PolarHBondContact ND2-OG 2.96Å; S836-K842 VanDerWaalsContact CA-O 3.3Å; S836-K842 WeakPolarHBondContact CA-O 3.03Å |
| 837 | D | 83.7 | Confident | 81.7 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | trans | -67.7 | -175.7 | 157.8 | 79.8 | -55.4 | 0 | 0 | 0 | 111.7 | S839 G840 L841 K842 | D837-S839 PolarHBondContact OD1-OG 2.97Å; D837-S839 VanDerWaalsContact OD1-OG 3.09Å; D837-S839 VanDerWaalsContact OD2-CB 3.27Å; D837-S839 WeakPolarHBondContact OD2-CB 3.39Å; D837-S839 PolarHBondContact OD2-N 3.46Å; D837-S839 PolarHBondContact OD2-OG 2.82Å; D837-G840 PolarHBondContact O-N 3.43Å; D837-G840 PolarHBondContact OD1-N 2.86Å; D837-G840 VanDerWaalsContact OD1-N 3.13Å; D837-L841 PolarHBondContact OD1-N 2.87Å; D837-K842 HydrophobicContact CB-CB 4.36Å; D837-K842 PolarHBondContact N-O 2.96Å; D837-K842 PolarHBondContact OD1-N 2.79Å | ||
| 838 | E | 79.9 | Confident | 81.9 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -71.4 | -29.9 | -179.3 | -170.2 | 143.1 | -117.3 | 0 | 0 | 113.9 | Y812 G840 | Y812-E838 HydrophobicContact CD2-CB 4.36Å; Y812-E838 HydrophobicContact CE2-CB 3.78Å; Y812-E838 HydrophobicContact CE2-CG 3.8Å; Y812-E838 WeakPolarHBondContact CE2-OE1 3.24Å; Y812-E838 PolarHBondContact OH-OE1 2.98Å; E838-G840 VanDerWaalsContact C-N 3.28Å; E838-G840 PolarHBondContact O-N 2.84Å |
| 839 | S | 77.5 | Confident | 82 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -71.3 | -26.1 | 172.7 | 72.9 | 0 | 0 | 0 | 0 | 112.4 | D837 L841 | D837-S839 PolarHBondContact OD1-OG 2.97Å; D837-S839 VanDerWaalsContact OD1-OG 3.09Å; D837-S839 VanDerWaalsContact OD2-CB 3.27Å; D837-S839 WeakPolarHBondContact OD2-CB 3.39Å; D837-S839 PolarHBondContact OD2-N 3.46Å; D837-S839 PolarHBondContact OD2-OG 2.82Å; S839-L841 WeakPolarHBondContact OG-CB 3.31Å; S839-L841 PolarHBondContact OG-N 2.85Å; S839-L841 VanDerWaalsContact OG-N 3.14Å |
| 840 | G | 77.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 78.3 | 7.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | R832 P833 D837 E838 | R832-G840 WeakPolarHBondContact CG-O 3.25Å; P833-G840 WeakPolarHBondContact CD-O 3.32Å; D837-G840 PolarHBondContact O-N 3.43Å; D837-G840 PolarHBondContact OD1-N 2.86Å; D837-G840 VanDerWaalsContact OD1-N 3.13Å; E838-G840 VanDerWaalsContact C-N 3.28Å; E838-G840 PolarHBondContact O-N 2.84Å |
| 841 | L | 78.5 | Confident | 82.2 | Confident | 151 Ų | 151 | 66 Ų | 66 | 79% | 0.791 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -94.7 | -22.6 | -178 | -58.2 | 175 | 0 | 0 | 0 | 112.6 | D837 S839 | D837-L841 PolarHBondContact OD1-N 2.87Å; S839-L841 WeakPolarHBondContact OG-CB 3.31Å; S839-L841 PolarHBondContact OG-N 2.85Å; S839-L841 VanDerWaalsContact OG-N 3.14Å |
| 842 | K | 81.2 | Confident | 82 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -117.3 | 131.9 | -175.6 | -169.7 | 175.4 | -177.6 | 177.2 | 0 | 111.3 | S836 D837 C844 | S836-K842 VanDerWaalsContact CA-O 3.3Å; S836-K842 WeakPolarHBondContact CA-O 3.03Å; D837-K842 HydrophobicContact CB-CB 4.36Å; D837-K842 PolarHBondContact N-O 2.96Å; D837-K842 PolarHBondContact OD1-N 2.79Å; K842-C844 PolarHBondContact O-N 2.95Å |
| 843 | E | 85.3 | Confident | 81.5 | Confident | 134 Ų | 134 | 65.1 Ų | 65.1 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 123.3 | 173 | -172.3 | 174.3 | -164.5 | 0 | 0 | 110.1 | P833 W835 | P833-E843 HydrophobicContact CB-CB 3.87Å; P833-E843 HydrophobicContact CB-CG 4.1Å; P833-E843 HydrophobicContact CG-CB 4.08Å; W835-E843 CarbonylContact O-C 3.6Å; W835-E843 WeakPolarHBondContact O-CA 3.45Å |
| 844 | C | 84.4 | Confident | 80.9 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | trans | -144 | 101.4 | -178.3 | -75.8 | 0 | 0 | 0 | 0 | 109.7 | V811 W835 K842 | V811-C844 VanDerWaalsContact CG1-O 3.25Å; V811-C844 WeakPolarHBondContact CG1-O 3.36Å; W835-C844 CarbonylContact C-O 3.59Å; W835-C844 PolarHBondContact O-N 3.02Å; K842-C844 PolarHBondContact O-N 2.95Å | ||
| 845 | T | 86.4 | Confident | 80.5 | Confident | 42 Ų | 42 | 72 Ų | 72 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | trans | -88.7 | 158.8 | 176.4 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | W835 C847 S848 T849 | W835-T845 HydrophobicContact CB-CG2 4.07Å; W835-T845 HydrophobicContact CG-CG2 4.45Å; T845-C847 PolarHBondContact O-N 2.89Å; T845-C847 PolarHBondContact OG1-N 2.86Å; T845-S848 PolarHBondContact N-OG 3.19Å; T845-S848 PolarHBondContact O-N 3.13Å; T845-S848 VanDerWaalsContact O-N 3.14Å; T845-S848 PolarHBondContact O-OG 3.4Å; T845-S848 WeakPolarHBondContact OG1-CB 3.44Å; T845-S848 PolarHBondContact OG1-N 2.85Å; T845-S848 PolarHBondContact OG1-OG 2.83Å; T845-T849 PolarHBondContact O-N 3.45Å; T845-T849 VanDerWaalsContact O-N 3.12Å; T845-T849 PolarHBondContact O-OG1 3.27Å | ||
| 846 | K | 85.9 | Confident | 80.2 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 24% | 0.239 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.7 | 171.6 | -70.5 | 178.1 | 176.8 | 174.6 | 0 | 114.7 | W835 W862 W902 | W835-K846 HydrophobicContact CE3-CG 4.48Å; W835-K846 HydrophobicContact CH2-CD 4.14Å; W835-K846 HydrophobicContact CH2-CG 4.41Å; W835-K846 HydrophobicContact CZ3-CD 4.13Å; W835-K846 HydrophobicContact CZ3-CG 3.93Å; K846-W862 HydrophobicContact CB-CD2 4.43Å; K846-W862 HydrophobicContact CB-CG 4.31Å; K846-W862 HydrophobicContact CD-CB 4.19Å; K846-W862 HydrophobicContact CD-CG 4.03Å; K846-W862 HydrophobicContact CG-CD2 3.98Å; K846-W862 HydrophobicContact CG-CG 3.95Å; K846-W862 PolarHBondContact O-NE1 3.22Å; K846-W902 VanDerWaalsContact CE-CE3 3.46Å |
| 847 | C | 79.6 | Confident | 80.2 | Confident | 119 Ų | 119 | 72.1 Ų | 72.1 | 80% | 0.804 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -28.7 | -177.9 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | T845 | T845-C847 PolarHBondContact O-N 2.89Å; T845-C847 PolarHBondContact OG1-N 2.86Å |
| 848 | S | 80.1 | Confident | 80.5 | Confident | 60 Ų | 60 | 73.3 Ų | 73.3 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.8 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | T845 H850 | T845-S848 PolarHBondContact N-OG 3.19Å; T845-S848 PolarHBondContact O-N 3.13Å; T845-S848 VanDerWaalsContact O-N 3.14Å; T845-S848 PolarHBondContact O-OG 3.4Å; T845-S848 WeakPolarHBondContact OG1-CB 3.44Å; T845-S848 PolarHBondContact OG1-N 2.85Å; T845-S848 PolarHBondContact OG1-OG 2.83Å; S848-H850 PolarHBondContact O-CD2 2.96Å; S848-H850 PolarHBondContact O-N 3.09Å |
| 849 | T | 81.4 | Confident | 81.1 | Confident | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.129 | 39% | 0.392 | C | S | . | . | trans | -85.4 | 108.3 | 177.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | V809 V811 T845 W858 W862 | V809-T849 HydrophobicContact CG1-CG2 3.78Å; V811-T849 HydrophobicContact CG2-CG2 4.33Å; V811-T849 WeakPolarHBondContact CG2-OG1 3.43Å; T845-T849 PolarHBondContact O-N 3.45Å; T845-T849 VanDerWaalsContact O-N 3.12Å; T845-T849 PolarHBondContact O-OG1 3.27Å; T849-W858 HydrophobicContact CG2-CH2 4.37Å; T849-W858 HydrophobicContact CG2-CZ2 4.39Å; T849-W862 HydrophobicContact CG2-CH2 3.99Å; T849-W862 HydrophobicContact CG2-CZ2 3.89Å | ||
| 850 | H | 77.8 | Confident | 81.7 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 65% | 0.653 | 38% | 0.383 | S | S | * | . | trans | -94.2 | 163 | 175.5 | -59.9 | -71.3 | 0 | 0 | 0 | 111.8 | S848 | S848-H850 PolarHBondContact O-CD2 2.96Å; S848-H850 PolarHBondContact O-N 3.09Å | ||
| 851 | P | 77.3 | Confident | 82.4 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 24% | 0.24 | 41% | 0.411 | C | S | . | . | trans | -61.9 | 154.2 | 173 | -19 | 31.4 | 0 | 0 | 0 | 112.2 | S853 W856 W858 | P851-S853 PolarHBondContact O-N 2.84Å; P851-S853 VanDerWaalsContact O-N 3.13Å; P851-W856 HydrophobicContact CB-CB 3.59Å; P851-W856 WeakPolarHBondContact CB-O 3.15Å; P851-W858 HydrophobicContact CG-CD2 4.44Å; P851-W858 HydrophobicContact CG-CZ2 4.28Å | ||
| 852 | P | 75.1 | Confident | 83 | Confident | 51 Ų | 51 | 70.4 Ų | 70.4 | 33% | 0.331 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -59.7 | -26 | -175.9 | -25.7 | 34.3 | 0 | 0 | 0 | 115.6 | L660 W856 | L660-P852 WeakPolarHBondContact CD1-O 3.43Å; P852-W856 HydrophobicContact CB-CG 4.47Å; P852-W856 HydrophobicContact CG-CD2 4.47Å; P852-W856 HydrophobicContact CG-CG 4.38Å |
| 853 | S | 72.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -153.6 | 166.1 | 170.1 | 90.5 | 0 | 0 | 0 | 0 | 110.9 | P851 Q855 W856 | P851-S853 PolarHBondContact O-N 2.84Å; P851-S853 VanDerWaalsContact O-N 3.13Å; S853-Q855 PolarHBondContact O-N 2.81Å; S853-Q855 PolarHBondContact OG-N 3.34Å; S853-W856 WeakPolarHBondContact O-CB 3.4Å; S853-W856 PolarHBondContact O-N 1.96Å |
| 854 | P | 71.2 | Confident | 83.8 | Confident | 102 Ų | 102 | 61.4 Ų | 61.4 | 66% | 0.662 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -12.5 | 174.6 | -25.9 | 35.2 | 0 | 0 | 0 | 115.7 | Y665 | Y665-P854 HydrophobicContact CE1-CG 4.25Š|
| 855 | Q | 77.3 | Confident | 84 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.1 | 175.2 | -62.4 | 169 | -24.1 | 0 | 0 | 112.7 | S853 I908 | S853-Q855 PolarHBondContact O-N 2.81Å; S853-Q855 PolarHBondContact OG-N 3.34Å; Q855-I908 HydrophobicContact CB-CD1 3.85Å; Q855-I908 HydrophobicContact CB-CG1 4.03Å |
| 856 | W | 84 | Confident | 84.1 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | trans | -89.5 | 130.9 | 178.5 | -72 | 89.8 | 0 | 0 | 0 | 111.6 | H755 R807 P851 P852 S853 C906 K907 I908 | H755-W856 AromaticContact CE1-CH2 3.79Å; H755-W856 AromaticContact CE1-CZ2 3.4Å; H755-W856 WeakPolarHBondContact CE1-CZ2 3.34Å; H755-W856 AromaticContact NE2-CZ2 3.36Å; H755-W856 WeakPolarHBondContact NE2-CZ2 3.43Å; R807-W856 HydrophobicContact CB-CH2 3.47Å; R807-W856 VanDerWaalsContact CB-CH2 3.47Å; R807-W856 HydrophobicContact CB-CZ2 4.24Å; R807-W856 HydrophobicContact CB-CZ3 3.66Å; P851-W856 HydrophobicContact CB-CB 3.59Å; P851-W856 WeakPolarHBondContact CB-O 3.15Å; P852-W856 HydrophobicContact CB-CG 4.47Å; P852-W856 HydrophobicContact CG-CD2 4.47Å; P852-W856 HydrophobicContact CG-CG 4.38Å; S853-W856 WeakPolarHBondContact O-CB 3.4Å; S853-W856 PolarHBondContact O-N 1.96Å; W856-C906 HydrophobicContact CB-CB 4.37Å; W856-C906 HydrophobicContact CE3-CB 3.83Å; W856-C906 WeakPolarHBondContact CZ3-O 3.37Å; W856-K907 VanDerWaalsContact CE3-C 3.44Å; W856-I908 HydrophobicContact CD2-CB 3.73Å; W856-I908 HydrophobicContact CD2-CG2 4.29Å; W856-I908 HydrophobicContact CE3-CB 3.78Å; W856-I908 HydrophobicContact CE3-CG2 4.16Å; W856-I908 VanDerWaalsContact CE3-N 3.34Å; W856-I908 HydrophobicContact CG-CB 4.27Å; W856-I908 HydrophobicContact CH2-CB 4.17Å; W856-I908 HydrophobicContact CH2-CG2 3.65Å; W856-I908 HydrophobicContact CZ2-CB 4.14Å; W856-I908 HydrophobicContact CZ2-CG2 3.82Å; W856-I908 HydrophobicContact CZ3-CB 3.98Å; W856-I908 HydrophobicContact CZ3-CG2 3.82Å | ||
| 857 | S | 88.1 | Confident | 84 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.5 | 175.1 | 59 | 0 | 0 | 0 | 0 | 110.8 | C906 K907 | S857-C906 CarbonylContact O-C 3.47Å; S857-C906 WeakPolarHBondContact O-CA 3.15Å; S857-C906 VanDerWaalsContact O-CB 3.28Å; S857-C906 WeakPolarHBondContact O-CB 3.38Å; S857-K907 PolarHBondContact N-O 3Å; S857-K907 PolarHBondContact O-N 2.87Å; S857-K907 PolarHBondContact OG-O 2.96Å |
| 858 | W | 89.9 | Confident | 84.1 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 24% | 0.242 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.8 | 170.7 | -68 | 121.6 | 0 | 0 | 0 | 110 | V809 T849 P851 R904 C906 | V809-W858 HydrophobicContact CB-CH2 3.88Å; V809-W858 HydrophobicContact CB-CZ3 4.07Å; V809-W858 HydrophobicContact CG1-CH2 4.2Å; V809-W858 HydrophobicContact CG2-CH2 3.81Å; V809-W858 HydrophobicContact CG2-CZ3 3.91Å; T849-W858 HydrophobicContact CG2-CH2 4.37Å; T849-W858 HydrophobicContact CG2-CZ2 4.39Å; P851-W858 HydrophobicContact CG-CD2 4.44Å; P851-W858 HydrophobicContact CG-CZ2 4.28Å; W858-R904 HydrophobicContact CD2-CG 4.28Å; W858-R904 HydrophobicContact CE3-CB 4.24Å; W858-R904 HydrophobicContact CE3-CG 3.6Å; W858-R904 HydrophobicContact CZ3-CB 3.91Å; W858-R904 HydrophobicContact CZ3-CG 3.81Å; W858-C906 HydrophobicContact CD2-CB 4.39Å; W858-C906 HydrophobicContact CE3-CB 3.66Å; W858-C906 HydrophobicContact CZ3-CB 3.85Å |
| 859 | V | 91.8 | Very high | 83.9 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | trans | -122.6 | 13.7 | -178.3 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | R905 K907 | V859-R905 HydrophobicContact CG2-CB 4.22Å; V859-R905 WeakPolarHBondContact CG2-O 3.3Å; V859-R905 PolarHBondContact N-O 2.91Å; V859-K907 HydrophobicContact CB-CB 4.4Å; V859-K907 HydrophobicContact CG1-CB 3.53Å; V859-K907 HydrophobicContact CG1-CD 4.41Å; V859-K907 HydrophobicContact CG2-CB 3.97Å | ||
| 860 | S | 90.4 | Very high | 83.6 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 22% | 0.217 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -163.1 | 164.2 | 176.3 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | R904 R905 | S860-R904 WeakPolarHBondContact O-CG 3.49Å; S860-R904 PolarHBondContact O-NE 3.04Å; S860-R905 WeakPolarHBondContact OG-CA 3.48Å; S860-R905 WeakPolarHBondContact OG-CB 3.28Å; S860-R905 PolarHBondContact OG-N 3.14Å; S860-R905 PolarHBondContact OG-O 2.95Å |
| 861 | E | 91.8 | Very high | 84 | Confident | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | trans | -91.6 | 167.3 | 171.3 | -68.4 | -49.6 | 111.4 | 0 | 0 | 112.5 | A863 R904 | E861-A863 PolarHBondContact O-N 2.93Å; E861-A863 VanDerWaalsContact O-N 3.12Å; E861-R904 VanDerWaalsContact CD-NH2 3.3Å; E861-R904 IonicContact OE1-CZ 2.74Å; E861-R904 IonicContact OE1-NE 3.73Å; E861-R904 IonicContact OE1-NH2 3.96Å; E861-R904 PolarHBondContact OE1-NH2 3.1Å; E861-R904 IonicContact OE2-CZ 2.83Å; E861-R904 IonicContact OE2-NH2 3.66Å; E861-R904 PolarHBondContact OE2-NH2 2.85Å; E861-R904 VanDerWaalsContact OE2-NH2 3.14Å | ||
| 862 | W | 91.6 | Very high | 84.6 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | trans | -64.6 | 107 | 178.1 | -74.4 | 110.3 | 0 | 0 | 0 | 111.5 | V809 V811 K846 T849 W902 R904 | V809-W862 HydrophobicContact CG1-CH2 4.36Å; V811-W862 HydrophobicContact CB-CH2 4.07Å; V811-W862 HydrophobicContact CB-CZ3 4Å; V811-W862 HydrophobicContact CG2-CH2 3.5Å; V811-W862 VanDerWaalsContact CG2-CH2 3.5Å; V811-W862 HydrophobicContact CG2-CZ2 4.17Å; V811-W862 HydrophobicContact CG2-CZ3 3.95Å; K846-W862 HydrophobicContact CB-CD2 4.43Å; K846-W862 HydrophobicContact CB-CG 4.31Å; K846-W862 HydrophobicContact CD-CB 4.19Å; K846-W862 HydrophobicContact CD-CG 4.03Å; K846-W862 HydrophobicContact CG-CD2 3.98Å; K846-W862 HydrophobicContact CG-CG 3.95Å; K846-W862 PolarHBondContact O-NE1 3.22Å; T849-W862 HydrophobicContact CG2-CH2 3.99Å; T849-W862 HydrophobicContact CG2-CZ2 3.89Å; W862-W902 HydrophobicContact CB-CE3 4.34Å; W862-W902 HydrophobicContact CE3-CB 3.96Å; W862-W902 HydrophobicContact CZ3-CB 4.45Å; W862-R904 HydrophobicContact CD2-CB 3.67Å; W862-R904 HydrophobicContact CD2-CG 4.37Å; W862-R904 HydrophobicContact CE3-CB 3.53Å; W862-R904 HydrophobicContact CG-CB 4.3Å; W862-R904 HydrophobicContact CH2-CB 3.96Å; W862-R904 HydrophobicContact CZ2-CB 4.12Å; W862-R904 HydrophobicContact CZ3-CB 3.69Å | ||
| 863 | A | 92.5 | Very high | 85.3 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 156.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E861 W902 T903 | E861-A863 PolarHBondContact O-N 2.93Å; E861-A863 VanDerWaalsContact O-N 3.12Å; A863-W902 VanDerWaalsContact C-CE3 3.47Å; A863-W902 CarbonylContact O-C 3.52Å; A863-W902 VanDerWaalsContact O-CA 3.31Å; A863-W902 WeakPolarHBondContact O-CA 3.33Å; A863-T903 PolarHBondContact N-O 2.71Å; A863-T903 PolarHBondContact O-N 2.84Å |
| 864 | V | 91 | Very high | 86.1 | Confident | 34 Ų | 34 | 68 Ų | 68 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 138.2 | 165.8 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | F866 R900 W902 | V864-F866 HydrophobicContact CB-CE2 3.94Å; V864-F866 HydrophobicContact CB-CZ 4.09Å; V864-F866 HydrophobicContact CG1-CD2 4.42Å; V864-F866 HydrophobicContact CG1-CE1 4.18Å; V864-F866 HydrophobicContact CG1-CE2 3.88Å; V864-F866 HydrophobicContact CG1-CZ 3.74Å; V864-R900 HydrophobicContact CG1-CG 4.05Å; V864-W902 HydrophobicContact CG2-CD2 4.13Å; V864-W902 HydrophobicContact CG2-CE3 3.86Å; V864-W902 HydrophobicContact CG2-CH2 3.44Å; V864-W902 VanDerWaalsContact CG2-CH2 3.44Å; V864-W902 HydrophobicContact CG2-CZ2 3.74Å; V864-W902 HydrophobicContact CG2-CZ3 3.51Å |
| 865 | D | 88.8 | Confident | 86.9 | Confident | 19 Ų | 19 | 68.7 Ų | 68.7 | 10% | 0.102 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 126 | -179.1 | -165.8 | -30.4 | 0 | 0 | 0 | 111 | S867 V868 R901 T903 | D865-S867 PolarHBondContact OD1-N 3.46Å; D865-S867 PolarHBondContact OD1-OG 2.92Å; D865-S867 VanDerWaalsContact OD1-OG 3.14Å; D865-V868 HydrophobicContact CB-CG2 4.44Å; D865-V868 WeakPolarHBondContact O-CG2 3.41Å; D865-R901 HydrophobicContact CB-CB 4.11Å; D865-R901 HydrophobicContact CB-CG 4.13Å; D865-R901 VanDerWaalsContact CG-NE 3.33Å; D865-R901 PolarHBondContact N-O 3.06Å; D865-R901 IonicContact OD1-NE 3.19Å; D865-R901 IonicContact OD1-NH2 3.4Å; D865-R901 PolarHBondContact OD1-NH2 2.92Å; D865-R901 IonicContact OD2-CZ 3.47Å; D865-R901 IonicContact OD2-NE 2.82Å; D865-R901 PolarHBondContact OD2-NE 2.97Å; D865-R901 IonicContact OD2-NH2 3.9Å; D865-R901 PolarHBondContact OD2-NH2 2.93Å; D865-T903 WeakPolarHBondContact CB-OG1 3.39Å; D865-T903 PolarHBondContact OD2-OG1 2.99Å |
| 866 | F | 88.2 | Confident | 87.4 | Confident | 117 Ų | 117 | 63.1 Ų | 63.1 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | trans | -109.2 | -6.5 | -177.4 | -60.1 | -89.7 | 0 | 0 | 0 | 112.8 | V864 V868 | V864-F866 HydrophobicContact CB-CE2 3.94Å; V864-F866 HydrophobicContact CB-CZ 4.09Å; V864-F866 HydrophobicContact CG1-CD2 4.42Å; V864-F866 HydrophobicContact CG1-CE1 4.18Å; V864-F866 HydrophobicContact CG1-CE2 3.88Å; V864-F866 HydrophobicContact CG1-CZ 3.74Å; F866-V868 VanDerWaalsContact C-N 3.28Å; F866-V868 PolarHBondContact O-N 3.06Å | ||
| 867 | S | 83.6 | Confident | 87.8 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | trans | -95.5 | 33.7 | 178.2 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | D865 | D865-S867 PolarHBondContact OD1-N 3.46Å; D865-S867 PolarHBondContact OD1-OG 2.92Å; D865-S867 VanDerWaalsContact OD1-OG 3.14Å | ||
| 868 | V | 82 | Confident | 88.1 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | trans | -77.1 | 133.4 | 179.7 | -161.2 | 0 | 0 | 0 | 0 | 110.1 | D865 F866 G870 G871 T872 R901 | D865-V868 HydrophobicContact CB-CG2 4.44Å; D865-V868 WeakPolarHBondContact O-CG2 3.41Å; F866-V868 VanDerWaalsContact C-N 3.28Å; F866-V868 PolarHBondContact O-N 3.06Å; V868-G870 PolarHBondContact O-N 3.04Å; V868-G871 WeakPolarHBondContact O-CA 3.46Å; V868-G871 PolarHBondContact O-N 3.28Å; V868-T872 HydrophobicContact CB-CG2 4.05Å; V868-T872 HydrophobicContact CG2-CG2 3.72Å; V868-R901 HydrophobicContact CG2-CB 4.02Å | ||
| 869 | P | 76.4 | Confident | 88.2 | Confident | 103 Ų | 103 | 57.2 Ų | 57.2 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.2 | 170.9 | -26.9 | 35.6 | 0 | 0 | 0 | 111.9 | G871 Q878 | P869-G871 VanDerWaalsContact C-N 3.27Å; P869-Q878 PolarHBondContact O-NE2 2.91Å |
| 870 | G | 74.5 | Confident | 88.1 | Confident | 56 Ų | 56 | 54 Ų | 54 | 58% | 0.577 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -5.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V868 G889 | V868-G870 PolarHBondContact O-N 3.04Å; G870-G889 PolarHBondContact O-N 3.05Å |
| 871 | G | 85.9 | Confident | 88 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 32% | 0.32 | 32% | 0.315 | S | S | . | . | trans | 74.4 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V868 P869 Q878 G889 | V868-G871 WeakPolarHBondContact O-CA 3.46Å; V868-G871 PolarHBondContact O-N 3.28Å; P869-G871 VanDerWaalsContact C-N 3.27Å; G871-Q878 WeakPolarHBondContact O-CG 3.42Å; G871-Q878 PolarHBondContact O-NE2 3Å; G871-G889 WeakPolarHBondContact O-CA 3.41Å; G871-G889 PolarHBondContact O-N 3Å | ||
| 872 | T | 90.5 | Very high | 87.7 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | trans | -131.3 | 165.4 | 172.3 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | V868 W877 Q878 G889 | V868-T872 HydrophobicContact CB-CG2 4.05Å; V868-T872 HydrophobicContact CG2-CG2 3.72Å; T872-W877 CarbonylContact C-O 3.58Å; T872-W877 VanDerWaalsContact CA-O 3.3Å; T872-W877 WeakPolarHBondContact CA-O 3.45Å; T872-Q878 HydrophobicContact CG2-CG 4.21Å; T872-G889 CarbonylContact C-O 3.45Å | ||
| 873 | D | 89.9 | Confident | 87.3 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | trans | -74.4 | -176.1 | 161 | 74.3 | 11.3 | 0 | 0 | 0 | 111.8 | E875 G876 W877 Y879 G889 | D873-E875 PolarHBondContact O-N 2.84Å; D873-E875 WeakPolarHBondContact OD1-CA 3.35Å; D873-E875 PolarHBondContact OD1-N 2.98Å; D873-G876 PolarHBondContact O-N 3.12Å; D873-G876 PolarHBondContact OD1-N 3.47Å; D873-G876 VanDerWaalsContact OD1-N 3.07Å; D873-W877 PolarHBondContact N-O 2.78Å; D873-W877 PolarHBondContact OD1-N 3Å; D873-Y879 HydrophobicContact CB-CE2 4.16Å; D873-Y879 VanDerWaalsContact OD2-CE2 3.28Å; D873-Y879 WeakPolarHBondContact OD2-CE2 3.42Å; D873-Y879 PolarHBondContact OD2-OH 2.87Å; D873-G889 PolarHBondContact N-O 2.81Å | ||
| 874 | K | 88.1 | Confident | 86.7 | Confident | 208 Ų | 208 | 52.2 Ų | 52.2 | 90% | 0.904 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.2 | -179.4 | -61.3 | -177.3 | -179.1 | 179.9 | 0 | 114.4 | ||
| 875 | E | 88.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 53.5 Ų | 53.5 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -0.1 | 177.5 | -68.4 | 179.6 | -162.5 | 0 | 0 | 112.8 | D873 W877 R900 | D873-E875 PolarHBondContact O-N 2.84Å; D873-E875 WeakPolarHBondContact OD1-CA 3.35Å; D873-E875 PolarHBondContact OD1-N 2.98Å; E875-W877 PolarHBondContact OE2-NE1 3.24Å; E875-R900 VanDerWaalsContact O-CD 3.3Å; E875-R900 WeakPolarHBondContact O-CD 3.4Å; E875-R900 PolarHBondContact O-NH1 2.95Å |
| 876 | G | 89.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 86.7 | 14.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D873 R900 | D873-G876 PolarHBondContact O-N 3.12Å; D873-G876 PolarHBondContact OD1-N 3.47Å; D873-G876 VanDerWaalsContact OD1-N 3.07Å; G876-R900 WeakPolarHBondContact O-CG 3.46Å |
| 877 | W | 92.5 | Very high | 86 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 1% | 0.011 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 143.7 | 175.8 | -57.4 | 103.4 | 0 | 0 | 0 | 112.1 | E813 Q815 T872 D873 E875 Y879 R898 R899 R900 | E813-W877 HydrophobicContact CG-CH2 4.1Å; E813-W877 HydrophobicContact CG-CZ3 4.3Å; E813-W877 WeakPolarHBondContact OE1-CH2 3.44Å; Q815-W877 VanDerWaalsContact CD-CH2 3.44Å; Q815-W877 HydrophobicContact CG-CH2 4.09Å; Q815-W877 HydrophobicContact CG-CZ3 4.19Å; T872-W877 CarbonylContact C-O 3.58Å; T872-W877 VanDerWaalsContact CA-O 3.3Å; T872-W877 WeakPolarHBondContact CA-O 3.45Å; D873-W877 PolarHBondContact N-O 2.78Å; D873-W877 PolarHBondContact OD1-N 3Å; E875-W877 PolarHBondContact OE2-NE1 3.24Å; W877-Y879 HydrophobicContact CB-CE2 3.79Å; W877-R898 VanDerWaalsContact CD1-NH1 3.26Å; W877-R898 HydrophobicContact CD2-CG 4.16Å; W877-R898 HydrophobicContact CE3-CB 4.21Å; W877-R898 HydrophobicContact CE3-CG 3.6Å; W877-R898 HydrophobicContact CZ3-CG 4.02Å; W877-R898 VanDerWaalsContact NE1-NH1 3.13Å; W877-R899 CarbonylContact C-O 3.39Å; W877-R899 WeakPolarHBondContact CA-O 3.43Å; W877-R900 HydrophobicContact CD2-CB 4.01Å; W877-R900 HydrophobicContact CE3-CB 3.51Å; W877-R900 HydrophobicContact CH2-CB 4.22Å; W877-R900 VanDerWaalsContact CZ2-NH2 3.35Å; W877-R900 HydrophobicContact CZ3-CB 3.63Å |
| 878 | Q | 92.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.4 | 158 | -39.1 | -167.3 | -74.5 | 0 | 0 | 109.1 | P869 G871 T872 F887 H888 R898 R899 | P869-Q878 PolarHBondContact O-NE2 2.91Å; G871-Q878 WeakPolarHBondContact O-CG 3.42Å; G871-Q878 PolarHBondContact O-NE2 3Å; T872-Q878 HydrophobicContact CG2-CG 4.21Å; Q878-F887 HydrophobicContact CB-CB 3.79Å; Q878-F887 HydrophobicContact CB-CD1 3.96Å; Q878-F887 HydrophobicContact CB-CG 4.31Å; Q878-H888 WeakPolarHBondContact CA-O 3.43Å; Q878-R898 CarbonylContact O-C 3.53Å; Q878-R898 WeakPolarHBondContact O-CA 3.47Å; Q878-R898 VanDerWaalsContact O-CB 3.31Å; Q878-R898 WeakPolarHBondContact O-CB 3.47Å; Q878-R899 HydrophobicContact CB-CG 4.32Å; Q878-R899 PolarHBondContact N-O 2.89Å; Q878-R899 PolarHBondContact O-N 2.62Å; Q878-R899 VanDerWaalsContact OE1-CZ 3.31Å |
| 879 | Y | 92 | Very high | 86.6 | Confident | 11 Ų | 11 | 52 Ų | 52 | 4% | 0.043 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.7 | -176.9 | -61.7 | -87.1 | 0 | 0 | 0 | 110.3 | Y823 D873 W877 F887 H888 K891 R898 | Y823-Y879 HydrophobicContact CD2-CE1 4.47Å; Y823-Y879 HydrophobicContact CE2-CD1 4.17Å; Y823-Y879 AromaticContact CE2-CE1 3.67Å; Y823-Y879 HydrophobicContact CE2-CE1 3.67Å; Y823-Y879 AromaticContact CZ-CD1 3.84Å; Y823-Y879 AromaticContact CZ-CE1 3.84Å; Y823-Y879 WeakPolarHBondContact OH-CD1 3.39Å; D873-Y879 HydrophobicContact CB-CE2 4.16Å; D873-Y879 VanDerWaalsContact OD2-CE2 3.28Å; D873-Y879 WeakPolarHBondContact OD2-CE2 3.42Å; D873-Y879 PolarHBondContact OD2-OH 2.87Å; W877-Y879 HydrophobicContact CB-CE2 3.79Å; Y879-F887 CarbonylContact O-C 3.59Å; Y879-F887 WeakPolarHBondContact O-CA 3.38Å; Y879-H888 PolarHBondContact N-O 2.67Å; Y879-H888 PolarHBondContact O-N 2.99Å; Y879-K891 HydrophobicContact CD1-CB 3.98Å; Y879-K891 HydrophobicContact CD1-CD 4.39Å; Y879-K891 HydrophobicContact CD1-CG 3.89Å; Y879-K891 HydrophobicContact CD2-CB 3.93Å; Y879-K891 HydrophobicContact CE1-CB 4.01Å; Y879-K891 HydrophobicContact CE1-CD 3.98Å; Y879-K891 HydrophobicContact CE1-CG 3.96Å; Y879-K891 HydrophobicContact CE2-CB 3.99Å; Y879-K891 HydrophobicContact CG-CB 3.95Å; Y879-K891 HydrophobicContact CG-CG 4.3Å; Y879-R898 HydrophobicContact CD1-CB 3.77Å; Y879-R898 HydrophobicContact CE1-CB 3.88Å; Y879-R898 HydrophobicContact CE1-CG 4.42Å; Y879-R898 HydrophobicContact CG-CB 4.48Å |
| 880 | A | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 162.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F887 D895 F896 V897 | A880-F887 HydrophobicContact CB-CD1 3.61Å; A880-F887 HydrophobicContact CB-CD2 4.11Å; A880-F887 HydrophobicContact CB-CE1 3.65Å; A880-F887 HydrophobicContact CB-CE2 4.13Å; A880-F887 HydrophobicContact CB-CG 3.86Å; A880-F887 HydrophobicContact CB-CZ 3.92Å; A880-D895 VanDerWaalsContact C-OD1 3.27Å; A880-D895 WeakPolarHBondContact CA-OD1 3.48Å; A880-D895 CarbonylContact O-C 3.5Å; A880-D895 VanDerWaalsContact O-CA 3.22Å; A880-D895 WeakPolarHBondContact O-CA 3.39Å; A880-F896 PolarHBondContact O-N 2.91Å; A880-V897 HydrophobicContact CB-CG2 3.97Å; A880-V897 PolarHBondContact N-O 3.08Å; A880-V897 VanDerWaalsContact N-O 3.08Å; A880-V897 WeakPolarHBondContact O-CG2 3.36Å; A880-V897 PolarHBondContact O-N 3.06Å; A880-V897 VanDerWaalsContact O-N 3.14Å |
| 881 | A | 87.4 | Confident | 87.8 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -64.9 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T885 K894 F896 | A881-T885 PolarHBondContact N-OG1 3.21Å; A881-K894 WeakPolarHBondContact CA-O 3.22Å; A881-F896 WeakPolarHBondContact O-CB 3.33Å; A881-F896 PolarHBondContact O-N 2.84Å |
| 882 | D | 85.4 | Confident | 87.9 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 34% | 0.337 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -149.3 | 164.2 | 171.5 | -171 | 27.2 | 0 | 0 | 0 | 111 | P884 T885 V897 | D882-P884 VanDerWaalsContact C-CD 3.45Å; D882-P884 VanDerWaalsContact OD2-CD 3.3Å; D882-P884 WeakPolarHBondContact OD2-CD 3.27Å; D882-T885 PolarHBondContact N-OG1 2.9Å; D882-T885 VanDerWaalsContact N-OG1 3.12Å; D882-T885 WeakPolarHBondContact O-CB 3.35Å; D882-T885 PolarHBondContact O-N 2.9Å; D882-T885 PolarHBondContact O-OG1 3.39Å; D882-V897 VanDerWaalsContact C-CG2 3.49Å |
| 883 | F | 83.1 | Confident | 87.6 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -38.1 | -175.5 | -77.6 | -58.7 | 0 | 0 | 0 | 115.4 | N814 D831 R832 T885 F887 V897 | N814-F883 HydrophobicContact CB-CE1 3.81Å; N814-F883 HydrophobicContact CB-CZ 4.03Å; D831-F883 HydrophobicContact CB-CD2 4.37Å; D831-F883 HydrophobicContact CB-CE2 3.94Å; R832-F883 HydrophobicContact CG-CB 4.24Å; R832-F883 HydrophobicContact CG-CD1 4.26Å; R832-F883 HydrophobicContact CG-CD2 4.39Å; R832-F883 HydrophobicContact CG-CG 4.05Å; R832-F883 PolarHBondContact NH1-O 2.75Å; R832-F883 PolarHBondContact NH2-O 3.21Å; F883-T885 PolarHBondContact O-N 2.88Å; F883-F887 HydrophobicContact CD1-CZ 4.22Å; F883-V897 HydrophobicContact CD1-CB 4.13Å; F883-V897 HydrophobicContact CD1-CG1 4.2Å; F883-V897 HydrophobicContact CD1-CG2 4.16Å; F883-V897 HydrophobicContact CD2-CG1 3.78Å; F883-V897 HydrophobicContact CE1-CB 3.93Å; F883-V897 HydrophobicContact CE1-CG1 4.09Å; F883-V897 HydrophobicContact CE1-CG2 4.41Å; F883-V897 HydrophobicContact CE2-CB 4.4Å; F883-V897 HydrophobicContact CE2-CG1 3.66Å; F883-V897 HydrophobicContact CG-CB 4.45Å; F883-V897 HydrophobicContact CG-CG1 4.05Å; F883-V897 HydrophobicContact CG-CG2 4.44Å; F883-V897 HydrophobicContact CZ-CB 4.08Å; F883-V897 HydrophobicContact CZ-CG1 3.82Å |
| 884 | P | 81.2 | Confident | 87.5 | Confident | 104 Ų | 104 | 70 Ų | 70 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.1 | 176.4 | -19 | 34.1 | 0 | 0 | 0 | 114.8 | D882 | D882-P884 VanDerWaalsContact C-CD 3.45Å; D882-P884 VanDerWaalsContact OD2-CD 3.3Å; D882-P884 WeakPolarHBondContact OD2-CD 3.27Å |
| 885 | T | 81.8 | Confident | 87.6 | Confident | 61 Ų | 61 | 60.4 Ų | 60.4 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -91.3 | 161.5 | -173.3 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | A881 D882 F883 F887 | A881-T885 PolarHBondContact N-OG1 3.21Å; D882-T885 PolarHBondContact N-OG1 2.9Å; D882-T885 VanDerWaalsContact N-OG1 3.12Å; D882-T885 WeakPolarHBondContact O-CB 3.35Å; D882-T885 PolarHBondContact O-N 2.9Å; D882-T885 PolarHBondContact O-OG1 3.39Å; F883-T885 PolarHBondContact O-N 2.88Å; T885-F887 VanDerWaalsContact O-CD2 3.31Å; T885-F887 WeakPolarHBondContact O-CD2 3.37Å; T885-F887 PolarHBondContact O-N 2.95Å |
| 886 | T | 83.7 | Confident | 87.6 | Confident | 129 Ų | 129 | 59.4 Ų | 59.4 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 128 | -175.9 | -32.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 887 | F | 87.8 | Confident | 87.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 142.8 | -177.3 | -77.7 | -94.9 | 0 | 0 | 0 | 113.2 | Q878 Y879 A880 F883 T885 V897 R899 | Q878-F887 HydrophobicContact CB-CB 3.79Å; Q878-F887 HydrophobicContact CB-CD1 3.96Å; Q878-F887 HydrophobicContact CB-CG 4.31Å; Y879-F887 CarbonylContact O-C 3.59Å; Y879-F887 WeakPolarHBondContact O-CA 3.38Å; A880-F887 HydrophobicContact CB-CD1 3.61Å; A880-F887 HydrophobicContact CB-CD2 4.11Å; A880-F887 HydrophobicContact CB-CE1 3.65Å; A880-F887 HydrophobicContact CB-CE2 4.13Å; A880-F887 HydrophobicContact CB-CG 3.86Å; A880-F887 HydrophobicContact CB-CZ 3.92Å; F883-F887 HydrophobicContact CD1-CZ 4.22Å; T885-F887 VanDerWaalsContact O-CD2 3.31Å; T885-F887 WeakPolarHBondContact O-CD2 3.37Å; T885-F887 PolarHBondContact O-N 2.95Å; F887-V897 HydrophobicContact CE1-CG2 4.01Å; F887-V897 HydrophobicContact CZ-CG2 3.94Å; F887-R899 HydrophobicContact CD1-CG 3.69Å; F887-R899 HydrophobicContact CE1-CB 4.03Å; F887-R899 HydrophobicContact CE1-CG 3.68Å; F887-R899 HydrophobicContact CG-CG 4.21Å; F887-R899 HydrophobicContact CZ-CB 4.45Å; F887-R899 HydrophobicContact CZ-CG 4.2Å |
| 888 | H | 88.4 | Confident | 87.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -135.4 | 149.2 | 178.5 | 44.2 | 75.8 | 0 | 0 | 0 | 113.5 | Q878 Y879 H890 D895 | Q878-H888 WeakPolarHBondContact CA-O 3.43Å; Y879-H888 PolarHBondContact N-O 2.67Å; Y879-H888 PolarHBondContact O-N 2.99Å; H888-H890 PolarHBondContact CE1-O 3.37Å; H888-H890 AromaticContact CG-CE1 3.88Å; H888-H890 AromaticContact ND1-CE1 3.77Å; H888-H890 AromaticContact ND1-ND1 3.92Å; H888-H890 AromaticContact ND1-NE2 3.97Å; H888-H890 PolarHBondContact ND1-O 3.24Å; H888-H890 PolarHBondContact O-N 2.87Å; H888-H890 VanDerWaalsContact O-N 3.15Å; H888-D895 IonicContact CE1-OD1 3.98Å; H888-D895 PolarHBondContact CE1-OD1 3.17Å; H888-D895 IonicContact CE1-OD2 3.37Å; H888-D895 PolarHBondContact CE1-OD2 2.94Å; H888-D895 IonicContact NE2-OD1 3.07Å |
| 889 | G | 88.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -73.3 | 3.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.9 | G870 G871 T872 D873 | G870-G889 PolarHBondContact O-N 3.05Å; G871-G889 WeakPolarHBondContact O-CA 3.41Å; G871-G889 PolarHBondContact O-N 3Å; T872-G889 CarbonylContact C-O 3.45Å; D873-G889 PolarHBondContact N-O 2.81Å |
| 890 | H | 88.1 | Confident | 87.5 | Confident | 119 Ų | 119 | 64.7 Ų | 64.7 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -119.2 | 146 | 176.9 | 68.6 | -84.7 | 0 | 0 | 0 | 110.6 | H888 | H888-H890 PolarHBondContact CE1-O 3.37Å; H888-H890 AromaticContact CG-CE1 3.88Å; H888-H890 AromaticContact ND1-CE1 3.77Å; H888-H890 AromaticContact ND1-ND1 3.92Å; H888-H890 AromaticContact ND1-NE2 3.97Å; H888-H890 PolarHBondContact ND1-O 3.24Å; H888-H890 PolarHBondContact O-N 2.87Å; H888-H890 VanDerWaalsContact O-N 3.15Å |
| 891 | K | 88.8 | Confident | 87.6 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 54% | 0.535 | 34% | 0.338 | S | S | . | . | trans | -95.4 | 131.5 | -178.9 | -178.2 | -175.3 | 173.1 | -172.3 | 0 | 111.4 | Y823 Y879 | Y823-K891 HydrophobicContact CE2-CD 4.19Å; Y879-K891 HydrophobicContact CD1-CB 3.98Å; Y879-K891 HydrophobicContact CD1-CD 4.39Å; Y879-K891 HydrophobicContact CD1-CG 3.89Å; Y879-K891 HydrophobicContact CD2-CB 3.93Å; Y879-K891 HydrophobicContact CE1-CB 4.01Å; Y879-K891 HydrophobicContact CE1-CD 3.98Å; Y879-K891 HydrophobicContact CE1-CG 3.96Å; Y879-K891 HydrophobicContact CE2-CB 3.99Å; Y879-K891 HydrophobicContact CG-CB 3.95Å; Y879-K891 HydrophobicContact CG-CG 4.3Å | ||
| 892 | T | 87.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | trans | -115.7 | 177.4 | 175.6 | 79.7 | 0 | 0 | 0 | 0 | 111.4 | K894 D895 | T892-K894 PolarHBondContact O-N 3.15Å; T892-K894 PolarHBondContact OG1-N 2.89Å; T892-K894 VanDerWaalsContact OG1-N 3.08Å; T892-D895 WeakPolarHBondContact CA-OD2 3.03Å; T892-D895 VanDerWaalsContact CB-OD2 3.3Å; T892-D895 WeakPolarHBondContact CB-OD2 3.5Å; T892-D895 PolarHBondContact N-OD2 2.61Å; T892-D895 PolarHBondContact OG1-OD1 2.94Å; T892-D895 PolarHBondContact OG1-OD2 3.45Å | ||
| 893 | M | 84.9 | Confident | 88.2 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 92% | 0.921 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.8 | 172.9 | -63.8 | -67.8 | -76.7 | 0 | 0 | 113.6 | ||
| 894 | K | 87.1 | Confident | 88.7 | Confident | 158 Ų | 158 | 64.9 Ų | 64.9 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -4.8 | 178.8 | -65.8 | -175.3 | 179 | -179.6 | 0 | 113.4 | A881 T892 F896 | A881-K894 WeakPolarHBondContact CA-O 3.22Å; T892-K894 PolarHBondContact O-N 3.15Å; T892-K894 PolarHBondContact OG1-N 2.89Å; T892-K894 VanDerWaalsContact OG1-N 3.08Å; K894-F896 VanDerWaalsContact O-CD2 3.27Å; K894-F896 WeakPolarHBondContact O-CD2 3.3Å; K894-F896 WeakPolarHBondContact O-CE2 3.31Å; K894-F896 PolarHBondContact O-N 3.49Å |
| 895 | D | 89.5 | Confident | 89.1 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -89.8 | 97.4 | -170.5 | -59.5 | -43.7 | 0 | 0 | 0 | 112.8 | Y823 A880 H888 T892 | Y823-D895 PolarHBondContact OH-O 2.85Å; A880-D895 VanDerWaalsContact C-OD1 3.27Å; A880-D895 WeakPolarHBondContact CA-OD1 3.48Å; A880-D895 CarbonylContact O-C 3.5Å; A880-D895 VanDerWaalsContact O-CA 3.22Å; A880-D895 WeakPolarHBondContact O-CA 3.39Å; H888-D895 IonicContact CE1-OD1 3.98Å; H888-D895 PolarHBondContact CE1-OD1 3.17Å; H888-D895 IonicContact CE1-OD2 3.37Å; H888-D895 PolarHBondContact CE1-OD2 2.94Å; H888-D895 IonicContact NE2-OD1 3.07Å; T892-D895 WeakPolarHBondContact CA-OD2 3.03Å; T892-D895 VanDerWaalsContact CB-OD2 3.3Å; T892-D895 WeakPolarHBondContact CB-OD2 3.5Å; T892-D895 PolarHBondContact N-OD2 2.61Å; T892-D895 PolarHBondContact OG1-OD1 2.94Å; T892-D895 PolarHBondContact OG1-OD2 3.45Å | ||
| 896 | F | 88.3 | Confident | 89.5 | Confident | 95 Ų | 95 | 63.3 Ų | 63.3 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -86.3 | -10.2 | 179 | -55.9 | -69.9 | 0 | 0 | 0 | 113.6 | W817 A880 A881 K894 | W817-F896 WeakPolarHBondContact CB-O 2.8Å; W817-F896 AromaticContact CE3-CD1 3.8Å; W817-F896 HydrophobicContact CE3-CD1 3.8Å; W817-F896 HydrophobicContact CE3-CE1 4.13Å; W817-F896 HydrophobicContact CZ3-CD1 4.32Å; W817-F896 HydrophobicContact CZ3-CE1 4.19Å; W817-F896 PolarHBondContact N-O 3.13Å; A880-F896 PolarHBondContact O-N 2.91Å; A881-F896 WeakPolarHBondContact O-CB 3.33Å; A881-F896 PolarHBondContact O-N 2.84Å; K894-F896 VanDerWaalsContact O-CD2 3.27Å; K894-F896 WeakPolarHBondContact O-CD2 3.3Å; K894-F896 WeakPolarHBondContact O-CE2 3.31Å; K894-F896 PolarHBondContact O-N 3.49Å | ||
| 897 | V | 90.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.7 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 112 | Q815 A880 D882 F883 F887 | Q815-V897 WeakPolarHBondContact O-CA 3.36Å; A880-V897 HydrophobicContact CB-CG2 3.97Å; A880-V897 PolarHBondContact N-O 3.08Å; A880-V897 VanDerWaalsContact N-O 3.08Å; A880-V897 WeakPolarHBondContact O-CG2 3.36Å; A880-V897 PolarHBondContact O-N 3.06Å; A880-V897 VanDerWaalsContact O-N 3.14Å; D882-V897 VanDerWaalsContact C-CG2 3.49Å; F883-V897 HydrophobicContact CD1-CB 4.13Å; F883-V897 HydrophobicContact CD1-CG1 4.2Å; F883-V897 HydrophobicContact CD1-CG2 4.16Å; F883-V897 HydrophobicContact CD2-CG1 3.78Å; F883-V897 HydrophobicContact CE1-CB 3.93Å; F883-V897 HydrophobicContact CE1-CG1 4.09Å; F883-V897 HydrophobicContact CE1-CG2 4.41Å; F883-V897 HydrophobicContact CE2-CB 4.4Å; F883-V897 HydrophobicContact CE2-CG1 3.66Å; F883-V897 HydrophobicContact CG-CB 4.45Å; F883-V897 HydrophobicContact CG-CG1 4.05Å; F883-V897 HydrophobicContact CG-CG2 4.44Å; F883-V897 HydrophobicContact CZ-CB 4.08Å; F883-V897 HydrophobicContact CZ-CG1 3.82Å; F887-V897 HydrophobicContact CE1-CG2 4.01Å; F887-V897 HydrophobicContact CZ-CG2 3.94Å |
| 898 | R | 91.7 | Very high | 90 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.3 | 165.6 | 69.8 | 178 | -174.1 | 170.7 | -0.9 | 111.3 | Q815 Y823 W877 Q878 Y879 | Q815-R898 HydrophobicContact CB-CG 3.99Å; Q815-R898 PolarHBondContact N-O 3.08Å; Q815-R898 PolarHBondContact O-N 3.2Å; Y823-R898 HydrophobicContact CD1-CB 4.3Å; Y823-R898 HydrophobicContact CD1-CG 3.71Å; Y823-R898 HydrophobicContact CD2-CG 4.4Å; Y823-R898 HydrophobicContact CE1-CB 4.17Å; Y823-R898 HydrophobicContact CE1-CG 4.09Å; Y823-R898 HydrophobicContact CG-CG 3.91Å; W877-R898 VanDerWaalsContact CD1-NH1 3.26Å; W877-R898 HydrophobicContact CD2-CG 4.16Å; W877-R898 HydrophobicContact CE3-CB 4.21Å; W877-R898 HydrophobicContact CE3-CG 3.6Å; W877-R898 HydrophobicContact CZ3-CG 4.02Å; W877-R898 VanDerWaalsContact NE1-NH1 3.13Å; Q878-R898 CarbonylContact O-C 3.53Å; Q878-R898 WeakPolarHBondContact O-CA 3.47Å; Q878-R898 VanDerWaalsContact O-CB 3.31Å; Q878-R898 WeakPolarHBondContact O-CB 3.47Å; Y879-R898 HydrophobicContact CD1-CB 3.77Å; Y879-R898 HydrophobicContact CE1-CB 3.88Å; Y879-R898 HydrophobicContact CE1-CG 4.42Å; Y879-R898 HydrophobicContact CG-CB 4.48Å |
| 899 | R | 91.6 | Very high | 90 | Very high | 51 Ų | 51 | 60.7 Ų | 60.7 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.8 | 173.4 | 75.3 | -177 | -174.8 | 175.5 | -1.3 | 111.4 | E813 N814 W877 Q878 F887 | E813-R899 CarbonylContact O-C 3.57Å; E813-R899 WeakPolarHBondContact O-CA 3.47Å; N814-R899 WeakPolarHBondContact OD1-CB 3.13Å; W877-R899 CarbonylContact C-O 3.39Å; W877-R899 WeakPolarHBondContact CA-O 3.43Å; Q878-R899 HydrophobicContact CB-CG 4.32Å; Q878-R899 PolarHBondContact N-O 2.89Å; Q878-R899 PolarHBondContact O-N 2.62Å; Q878-R899 VanDerWaalsContact OE1-CZ 3.31Å; F887-R899 HydrophobicContact CD1-CG 3.69Å; F887-R899 HydrophobicContact CE1-CB 4.03Å; F887-R899 HydrophobicContact CE1-CG 3.68Å; F887-R899 HydrophobicContact CG-CG 4.21Å; F887-R899 HydrophobicContact CZ-CB 4.45Å; F887-R899 HydrophobicContact CZ-CG 4.2Å |
| 900 | R | 92.6 | Very high | 90 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 15% | 0.151 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.3 | 172.6 | 170.5 | 162.5 | 64.3 | -170 | -1.1 | 110 | E813 V864 E875 G876 W877 | E813-R900 HydrophobicContact CB-CB 4.37Å; E813-R900 VanDerWaalsContact CD-NH2 3.27Å; E813-R900 PolarHBondContact N-O 3.11Å; E813-R900 PolarHBondContact O-N 3.15Å; E813-R900 IonicContact OE1-CZ 3.97Å; E813-R900 IonicContact OE1-NH2 2.98Å; E813-R900 PolarHBondContact OE1-NH2 3.29Å; E813-R900 IonicContact OE2-CZ 3.23Å; E813-R900 VanDerWaalsContact OE2-CZ 3.23Å; E813-R900 IonicContact OE2-NE 3.36Å; E813-R900 PolarHBondContact OE2-NE 3.1Å; E813-R900 IonicContact OE2-NH2 2.8Å; E813-R900 PolarHBondContact OE2-NH2 2.9Å; V864-R900 HydrophobicContact CG1-CG 4.05Å; E875-R900 VanDerWaalsContact O-CD 3.3Å; E875-R900 WeakPolarHBondContact O-CD 3.4Å; E875-R900 PolarHBondContact O-NH1 2.95Å; G876-R900 WeakPolarHBondContact O-CG 3.46Å; W877-R900 HydrophobicContact CD2-CB 4.01Å; W877-R900 HydrophobicContact CE3-CB 3.51Å; W877-R900 HydrophobicContact CH2-CB 4.22Å; W877-R900 VanDerWaalsContact CZ2-NH2 3.35Å; W877-R900 HydrophobicContact CZ3-CB 3.63Å |
| 901 | R | 93 | Very high | 90 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.6 | 177.1 | -171.2 | 167 | 81.9 | -163 | -2.9 | 109.6 | H810 Y812 D865 V868 | H810-R901 HydrophobicContact CB-CG 4.36Å; Y812-R901 HydrophobicContact CD1-CB 4.08Å; Y812-R901 HydrophobicContact CD1-CG 4.34Å; Y812-R901 HydrophobicContact CE1-CB 3.73Å; Y812-R901 HydrophobicContact CE1-CG 3.79Å; Y812-R901 VanDerWaalsContact OH-CD 3.24Å; Y812-R901 WeakPolarHBondContact OH-CD 3.36Å; D865-R901 HydrophobicContact CB-CB 4.11Å; D865-R901 HydrophobicContact CB-CG 4.13Å; D865-R901 VanDerWaalsContact CG-NE 3.33Å; D865-R901 PolarHBondContact N-O 3.06Å; D865-R901 IonicContact OD1-NE 3.19Å; D865-R901 IonicContact OD1-NH2 3.4Å; D865-R901 PolarHBondContact OD1-NH2 2.92Å; D865-R901 IonicContact OD2-CZ 3.47Å; D865-R901 IonicContact OD2-NE 2.82Å; D865-R901 PolarHBondContact OD2-NE 2.97Å; D865-R901 IonicContact OD2-NH2 3.9Å; D865-R901 PolarHBondContact OD2-NH2 2.93Å; V868-R901 HydrophobicContact CG2-CB 4.02Å |
| 902 | W | 92.7 | Very high | 89.8 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.5 | 169.6 | -68.2 | 88.2 | 0 | 0 | 0 | 109.4 | H810 V811 E813 W835 K846 W862 A863 V864 | H810-W902 WeakPolarHBondContact CA-O 3.37Å; V811-W902 PolarHBondContact N-O 3.39Å; V811-W902 PolarHBondContact O-N 3.26Å; E813-W902 PolarHBondContact OE2-NE1 2.73Å; W835-W902 AromaticContact CH2-CD1 3.88Å; W835-W902 AromaticContact CH2-NE1 3.58Å; W835-W902 AromaticContact CZ3-CD1 3.66Å; W835-W902 HydrophobicContact CZ3-CG 4.33Å; W835-W902 AromaticContact CZ3-NE1 3.87Å; K846-W902 VanDerWaalsContact CE-CE3 3.46Å; W862-W902 HydrophobicContact CB-CE3 4.34Å; W862-W902 HydrophobicContact CE3-CB 3.96Å; W862-W902 HydrophobicContact CZ3-CB 4.45Å; A863-W902 VanDerWaalsContact C-CE3 3.47Å; A863-W902 CarbonylContact O-C 3.52Å; A863-W902 VanDerWaalsContact O-CA 3.31Å; A863-W902 WeakPolarHBondContact O-CA 3.33Å; V864-W902 HydrophobicContact CG2-CD2 4.13Å; V864-W902 HydrophobicContact CG2-CE3 3.86Å; V864-W902 HydrophobicContact CG2-CH2 3.44Å; V864-W902 VanDerWaalsContact CG2-CH2 3.44Å; V864-W902 HydrophobicContact CG2-CZ2 3.74Å; V864-W902 HydrophobicContact CG2-CZ3 3.51Å |
| 903 | T | 92.2 | Very high | 90 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 135.5 | -174.8 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | V809 H810 A863 D865 | V809-T903 WeakPolarHBondContact O-CA 3.34Å; H810-T903 PolarHBondContact CD2-OG1 2.95Å; H810-T903 VanDerWaalsContact CD2-OG1 3.31Å; A863-T903 PolarHBondContact N-O 2.71Å; A863-T903 PolarHBondContact O-N 2.84Å; D865-T903 WeakPolarHBondContact CB-OG1 3.39Å; D865-T903 PolarHBondContact OD2-OG1 2.99Å |
| 904 | R | 92.2 | Very high | 90.3 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.5 | 171 | -166.4 | -179.5 | -168.9 | -176.2 | 10.8 | 109.4 | V809 W858 S860 E861 W862 | V809-R904 PolarHBondContact N-O 3.02Å; V809-R904 PolarHBondContact O-N 3.03Å; W858-R904 HydrophobicContact CD2-CG 4.28Å; W858-R904 HydrophobicContact CE3-CB 4.24Å; W858-R904 HydrophobicContact CE3-CG 3.6Å; W858-R904 HydrophobicContact CZ3-CB 3.91Å; W858-R904 HydrophobicContact CZ3-CG 3.81Å; S860-R904 WeakPolarHBondContact O-CG 3.49Å; S860-R904 PolarHBondContact O-NE 3.04Å; E861-R904 VanDerWaalsContact CD-NH2 3.3Å; E861-R904 IonicContact OE1-CZ 2.74Å; E861-R904 IonicContact OE1-NE 3.73Å; E861-R904 IonicContact OE1-NH2 3.96Å; E861-R904 PolarHBondContact OE1-NH2 3.1Å; E861-R904 IonicContact OE2-CZ 2.83Å; E861-R904 IonicContact OE2-NH2 3.66Å; E861-R904 PolarHBondContact OE2-NH2 2.85Å; E861-R904 VanDerWaalsContact OE2-NH2 3.14Å; W862-R904 HydrophobicContact CD2-CB 3.67Å; W862-R904 HydrophobicContact CD2-CG 4.37Å; W862-R904 HydrophobicContact CE3-CB 3.53Å; W862-R904 HydrophobicContact CG-CB 4.3Å; W862-R904 HydrophobicContact CH2-CB 3.96Å; W862-R904 HydrophobicContact CZ2-CB 4.12Å; W862-R904 HydrophobicContact CZ3-CB 3.69Å |
| 905 | R | 90.3 | Very high | 90.5 | Very high | 131 Ų | 131 | 44.8 Ų | 44.8 | 49% | 0.494 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.4 | 179.4 | -56.8 | -179.3 | -63.8 | 164.2 | 1.2 | 111.2 | V806 R807 V859 S860 | V806-R905 HydrophobicContact CG1-CB 4.03Å; R807-R905 WeakPolarHBondContact O-CA 3.22Å; V859-R905 HydrophobicContact CG2-CB 4.22Å; V859-R905 WeakPolarHBondContact CG2-O 3.3Å; V859-R905 PolarHBondContact N-O 2.91Å; S860-R905 WeakPolarHBondContact OG-CA 3.48Å; S860-R905 WeakPolarHBondContact OG-CB 3.28Å; S860-R905 PolarHBondContact OG-N 3.14Å; S860-R905 PolarHBondContact OG-O 2.95Å |
| 906 | C | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 155.5 | 164.4 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | V806 R807 W856 S857 W858 | V806-C906 CarbonylContact C-O 3.53Å; V806-C906 WeakPolarHBondContact CA-O 3.41Å; V806-C906 WeakPolarHBondContact CG1-O 3.36Å; R807-C906 PolarHBondContact N-O 3.27Å; R807-C906 PolarHBondContact O-N 3.26Å; R807-C906 PolarHBondContact O-SG 3.47Å; W856-C906 HydrophobicContact CB-CB 4.37Å; W856-C906 HydrophobicContact CE3-CB 3.83Å; W856-C906 WeakPolarHBondContact CZ3-O 3.37Å; S857-C906 CarbonylContact O-C 3.47Å; S857-C906 WeakPolarHBondContact O-CA 3.15Å; S857-C906 VanDerWaalsContact O-CB 3.28Å; S857-C906 WeakPolarHBondContact O-CB 3.38Å; W858-C906 HydrophobicContact CD2-CB 4.39Å; W858-C906 HydrophobicContact CE3-CB 3.66Å; W858-C906 HydrophobicContact CZ3-CB 3.85Å |
| 907 | K | 91.5 | Very high | 90.8 | Very high | 69 Ų | 69 | 44.7 Ų | 44.7 | 30% | 0.3 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.6 | 176.9 | -178.9 | 177.2 | -176.3 | 178.1 | 0 | 110.2 | D805 V806 W856 S857 V859 | D805-K907 WeakPolarHBondContact O-CA 3.17Å; V806-K907 HydrophobicContact CG2-CB 4.25Å; V806-K907 HydrophobicContact CG2-CD 4.5Å; V806-K907 HydrophobicContact CG2-CG 4.1Å; W856-K907 VanDerWaalsContact CE3-C 3.44Å; S857-K907 PolarHBondContact N-O 3Å; S857-K907 PolarHBondContact O-N 2.87Å; S857-K907 PolarHBondContact OG-O 2.96Å; V859-K907 HydrophobicContact CB-CB 4.4Å; V859-K907 HydrophobicContact CG1-CB 3.53Å; V859-K907 HydrophobicContact CG1-CD 4.41Å; V859-K907 HydrophobicContact CG2-CB 3.97Å |
| 908 | I | 89.5 | Confident | 90.2 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 155 | 165.8 | -168.5 | 169.1 | 0 | 0 | 0 | 109.3 | D805 Q855 W856 V910 | D805-I908 HydrophobicContact CB-CG2 3.79Å; D805-I908 PolarHBondContact N-O 3.39Å; D805-I908 PolarHBondContact O-N 3.34Å; Q855-I908 HydrophobicContact CB-CD1 3.85Å; Q855-I908 HydrophobicContact CB-CG1 4.03Å; W856-I908 HydrophobicContact CD2-CB 3.73Å; W856-I908 HydrophobicContact CD2-CG2 4.29Å; W856-I908 HydrophobicContact CE3-CB 3.78Å; W856-I908 HydrophobicContact CE3-CG2 4.16Å; W856-I908 VanDerWaalsContact CE3-N 3.34Å; W856-I908 HydrophobicContact CG-CB 4.27Å; W856-I908 HydrophobicContact CH2-CB 4.17Å; W856-I908 HydrophobicContact CH2-CG2 3.65Å; W856-I908 HydrophobicContact CZ2-CB 4.14Å; W856-I908 HydrophobicContact CZ2-CG2 3.82Å; W856-I908 HydrophobicContact CZ3-CB 3.98Å; W856-I908 HydrophobicContact CZ3-CG2 3.82Å; I908-V910 HydrophobicContact CD1-CG1 4.02Å; I908-V910 HydrophobicContact CG1-CG1 4Å |
| 909 | T | 89.9 | Confident | 89.6 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 110.1 | 176.4 | -65 | 0 | 0 | 0 | 0 | 108.9 | L802 Q803 T804 | L802-T909 HydrophobicContact CD1-CG2 3.62Å; L802-T909 HydrophobicContact CD2-CG2 4.16Å; L802-T909 HydrophobicContact CG-CG2 3.92Å; Q803-T909 WeakPolarHBondContact O-CA 3.41Å; T804-T909 HydrophobicContact CG2-CG2 3.99Å |
| 910 | V | 88.3 | Confident | 89.6 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 168.8 | -176.8 | -62 | 0 | 0 | 0 | 0 | 110.6 | H755 Q803 I908 | H755-V910 HydrophobicContact CB-CG2 4.18Å; Q803-V910 HydrophobicContact CB-CG2 3.9Å; Q803-V910 HydrophobicContact CG-CG2 4.49Å; Q803-V910 PolarHBondContact N-O 2.61Å; Q803-V910 PolarHBondContact O-N 3.34Å; I908-V910 HydrophobicContact CD1-CG1 4.02Å; I908-V910 HydrophobicContact CG1-CG1 4Å |
| 911 | R | 87.1 | Confident | 89.6 | Confident | 188 Ų | 188 | 54.4 Ų | 54.4 | 71% | 0.709 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.4 | 176.1 | -77 | -173.7 | -179.1 | -172.5 | -0.1 | 109.2 | P753 I800 H801 L802 | P753-R911 WeakPolarHBondContact CB-O 3.23Å; I800-R911 HydrophobicContact CG2-CB 3.67Å; I800-R911 HydrophobicContact CG2-CG 4.36Å; H801-R911 WeakPolarHBondContact O-CA 2.98Å; L802-R911 HydrophobicContact CD1-CG 4Å |
| 912 | G | 86.4 | Confident | 89.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 174.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | H801 W914 | H801-G912 PolarHBondContact N-O 3.08Å; H801-G912 PolarHBondContact O-N 3.01Å; G912-W914 PolarHBondContact O-N 2.63Å |
| 913 | P | 90 | Very high | 89.8 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.019 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -78.7 | 48.3 | -179.9 | 36.4 | -39.2 | 0 | 0 | 0 | 112.1 | I752 P753 Y779 S780 F783 | I752-P913 HydrophobicContact CG2-CG 4.3Å; P753-P913 WeakPolarHBondContact O-CD 3.23Å; Y779-P913 CarbonylContact C-O 3.6Å; Y779-P913 WeakPolarHBondContact CA-O 3.38Å; Y779-P913 HydrophobicContact CD2-CB 4.2Å; Y779-P913 HydrophobicContact CD2-CG 3.84Å; Y779-P913 HydrophobicContact CE2-CB 3.84Å; Y779-P913 HydrophobicContact CE2-CG 3.36Å; S780-P913 PolarHBondContact N-O 3.06Å; S780-P913 WeakPolarHBondContact OG-CA 3.5Å; S780-P913 WeakPolarHBondContact OG-CB 2.99Å; S780-P913 PolarHBondContact OG-O 3.3Å; F783-P913 HydrophobicContact CB-CB 4.11Å; F783-P913 HydrophobicContact CB-CG 3.98Å; F783-P913 HydrophobicContact CD2-CG 4.39Å; F783-P913 HydrophobicContact CG-CG 4.39Å |
| 914 | W | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 113.1 | -171.1 | -64.1 | 104.6 | 0 | 0 | 0 | 111.8 | W718 I726 P753 L756 I759 V767 W777 Y779 H801 G912 | W718-W914 HydrophobicContact CZ3-CH2 4Å; W718-W914 AromaticContact CZ3-CZ2 3.97Å; W718-W914 HydrophobicContact CZ3-CZ2 3.97Å; I726-W914 HydrophobicContact CD1-CZ2 3.66Å; I726-W914 HydrophobicContact CG2-CZ2 4.35Å; P753-W914 VanDerWaalsContact O-CD1 3.3Å; P753-W914 PolarHBondContact O-NE1 2.85Å; L756-W914 HydrophobicContact CD1-CD2 4.42Å; L756-W914 HydrophobicContact CD1-CE3 4.21Å; L756-W914 HydrophobicContact CD1-CH2 3.85Å; L756-W914 HydrophobicContact CD1-CZ2 4.05Å; L756-W914 HydrophobicContact CD1-CZ3 3.92Å; I759-W914 HydrophobicContact CD1-CH2 3.9Å; I759-W914 HydrophobicContact CD1-CZ2 4.49Å; V767-W914 HydrophobicContact CG1-CH2 4.07Å; V767-W914 HydrophobicContact CG1-CZ3 4.4Å; W777-W914 HydrophobicContact CB-CB 4.48Å; W777-W914 HydrophobicContact CB-CE3 4.23Å; W777-W914 HydrophobicContact CE3-CB 3.99Å; Y779-W914 AromaticContact CD2-CH2 3.98Å; Y779-W914 HydrophobicContact CD2-CH2 3.98Å; Y779-W914 AromaticContact CD2-CZ2 3.93Å; Y779-W914 HydrophobicContact CD2-CZ2 3.93Å; Y779-W914 HydrophobicContact CD2-CZ3 4.36Å; Y779-W914 HydrophobicContact CG-CH2 4.39Å; H801-W914 WeakPolarHBondContact CB-O 3.31Å; G912-W914 PolarHBondContact O-N 2.63Å |
| 915 | K | 92 | Very high | 90.1 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.5 | 177.8 | -173 | 172.3 | -177.6 | 172.8 | 0 | 110.3 | W777 V778 | W777-K915 CarbonylContact C-O 3.55Å; W777-K915 WeakPolarHBondContact CA-O 3.42Å; V778-K915 PolarHBondContact N-O 2.92Å; V778-K915 PolarHBondContact O-N 2.87Å |
| 916 | M | 92.2 | Very high | 90.4 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.2 | 179.2 | -165.8 | 175.7 | 64.4 | 0 | 0 | 111.6 | T775 W777 P918 | T775-M916 HydrophobicContact CG2-CG 3.68Å; T775-M916 HydrophobicContact CG2-SD 4.06Å; W777-M916 HydrophobicContact CE3-CB 3.94Å; W777-M916 HydrophobicContact CH2-CB 3.78Å; W777-M916 HydrophobicContact CH2-CG 3.93Å; W777-M916 HydrophobicContact CH2-SD 4.1Å; W777-M916 HydrophobicContact CZ2-CB 4.39Å; W777-M916 HydrophobicContact CZ2-CG 4.1Å; W777-M916 HydrophobicContact CZ2-SD 4.31Å; W777-M916 HydrophobicContact CZ3-CB 3.56Å; W777-M916 HydrophobicContact CZ3-CG 4.18Å; M916-P918 HydrophobicContact CE-CB 4.48Å; M916-P918 HydrophobicContact CE-CG 4.32Å; M916-P918 WeakPolarHBondContact O-CD 3.47Å |
| 917 | V | 91.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | trans | -118.8 | 82 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | W768 A776 V778 A962 | W768-V917 HydrophobicContact CH2-CG1 4.01Å; W768-V917 HydrophobicContact CH2-CG2 4.33Å; W768-V917 HydrophobicContact CZ3-CB 4.37Å; W768-V917 HydrophobicContact CZ3-CG1 4.19Å; W768-V917 HydrophobicContact CZ3-CG2 4.39Å; A776-V917 HydrophobicContact CB-CB 4.17Å; A776-V917 PolarHBondContact O-N 2.75Å; V778-V917 HydrophobicContact CB-CG2 4.34Å; V778-V917 HydrophobicContact CG2-CG2 3.53Å; V917-A962 HydrophobicContact CG2-CB 3.85Å | ||
| 918 | P | 77.5 | Confident | 90.5 | Very high | 77 Ų | 77 | 42.3 Ų | 42.3 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | trans | -71.3 | 167.8 | 175.5 | 31.7 | -36.1 | 0 | 0 | 0 | 112.1 | M916 | M916-P918 HydrophobicContact CE-CB 4.48Å; M916-P918 HydrophobicContact CE-CG 4.32Å; M916-P918 WeakPolarHBondContact O-CD 3.47Å | ||
| 919 | P | 79.7 | Confident | 90.4 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 71% | 0.714 | 22% | 0.22 | S | C | * | . | S | Bend | cis | -113.3 | 5.9 | 3 | 41.5 | -34.7 | 0 | 0 | 0 | 115.1 | ||
| 920 | I | 91 | Very high | 90.1 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 29% | 0.287 | 20% | 0.202 | S | C | . | . | trans | -93.6 | 133.4 | -172.1 | -52.2 | -178.1 | 0 | 0 | 0 | 110.4 | L922 L951 W966 | I920-L922 HydrophobicContact CG2-CD2 4.17Å; I920-L951 HydrophobicContact CD1-CD1 4.05Å; I920-L951 HydrophobicContact CG2-CD1 3.9Å; I920-W966 HydrophobicContact CD1-CB 4.03Å; I920-W966 HydrophobicContact CD1-CG 3.9Å | ||
| 921 | H | 92.7 | Very high | 89.6 | Confident | 89 Ų | 89 | 39.8 Ų | 39.8 | 41% | 0.412 | 20% | 0.203 | S | C | . | . | trans | -80.4 | 129.1 | 170.2 | -66.7 | -91.8 | 0 | 0 | 0 | 110.2 | D773 G774 S945 D946 | D773-H921 PolarHBondContact O-ND1 3.39Å; G774-H921 CarbonylContact O-C 3.27Å; G774-H921 WeakPolarHBondContact O-CA 3.49Å; H921-S945 WeakPolarHBondContact O-CA 3.32Å; H921-D946 PolarHBondContact O-N 2.83Å; H921-D946 VanDerWaalsContact O-N 3.15Å | ||
| 922 | L | 95.5 | Very high | 88.8 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 145.5 | -175.1 | -55.8 | -178.6 | 0 | 0 | 0 | 111.9 | I770 G774 A776 I920 I925 A943 L944 L951 W966 | I770-L922 HydrophobicContact CD1-CB 3.78Å; I770-L922 HydrophobicContact CG1-CB 4.37Å; I770-L922 HydrophobicContact CG2-CB 4.41Å; I770-L922 WeakPolarHBondContact CG2-O 3.4Å; G774-L922 WeakPolarHBondContact CA-O 3.49Å; G774-L922 PolarHBondContact O-N 2.93Å; A776-L922 HydrophobicContact CB-CD1 3.85Å; I920-L922 HydrophobicContact CG2-CD2 4.17Å; L922-I925 HydrophobicContact CD1-CD1 4.34Å; L922-A943 HydrophobicContact CD1-CB 3.93Å; L922-A943 HydrophobicContact CD2-CB 3.98Å; L922-L944 CarbonylContact C-O 3.5Å; L922-L944 WeakPolarHBondContact CA-O 3.46Å; L922-L951 HydrophobicContact CD2-CD1 3.89Å; L922-W966 HydrophobicContact CD1-CH2 3.87Å; L922-W966 HydrophobicContact CD1-CZ2 3.87Å; L922-W966 HydrophobicContact CD2-CH2 4.46Å; L922-W966 HydrophobicContact CD2-CZ2 4.33Å |
| 923 | S | 94.3 | Very high | 87.8 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 24% | 0.238 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -39.8 | 171.9 | 66.8 | 0 | 0 | 0 | 0 | 112.7 | R757 L944 S945 | R757-S923 PolarHBondContact NH2-O 2.83Å; S923-L944 PolarHBondContact N-O 2.89Å; S923-L944 WeakPolarHBondContact OG-CB 3.05Å; S923-S945 PolarHBondContact OG-O 3.06Å; S923-S945 VanDerWaalsContact OG-O 3.08Å |
| 924 | D | 95.9 | Very high | 86.7 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.4 | -179 | -156.9 | 21.4 | 0 | 0 | 0 | 110.5 | A943 L944 S977 I978 | D924-A943 WeakPolarHBondContact O-CA 3.37Å; D924-A943 WeakPolarHBondContact O-CB 3.23Å; D924-L944 HydrophobicContact CB-CB 4.34Å; D924-L944 HydrophobicContact CB-CD1 4.16Å; D924-L944 HydrophobicContact CB-CG 4.32Å; D924-L944 PolarHBondContact O-N 3.3Å; D924-S977 WeakPolarHBondContact OD2-CA 3.21Å; D924-S977 WeakPolarHBondContact OD2-CB 3.44Å; D924-S977 PolarHBondContact OD2-OG 3.15Å; D924-I978 PolarHBondContact OD2-N 3.11Å |
| 925 | I | 96.1 | Very high | 85.4 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.8 | 178.4 | -170.9 | 165.7 | 0 | 0 | 0 | 109.8 | E760 W768 I770 L922 L927 V941 W942 A943 | E760-I925 HydrophobicContact CB-CG2 4.47Å; E760-I925 HydrophobicContact CG-CG2 4.28Å; E760-I925 WeakPolarHBondContact CG-O 3.33Å; W768-I925 HydrophobicContact CB-CD1 3.98Å; W768-I925 HydrophobicContact CD2-CD1 3.86Å; W768-I925 HydrophobicContact CE3-CD1 3.34Å; W768-I925 HydrophobicContact CG-CD1 4.18Å; W768-I925 HydrophobicContact CZ3-CD1 4.09Å; I770-I925 HydrophobicContact CD1-CB 4.05Å; I770-I925 HydrophobicContact CD1-CG2 3.74Å; I770-I925 HydrophobicContact CG1-CG2 3.9Å; L922-I925 HydrophobicContact CD1-CD1 4.34Å; I925-L927 HydrophobicContact CG1-CD1 4.44Å; I925-V941 HydrophobicContact CD1-CG1 3.94Å; I925-V941 HydrophobicContact CG1-CG1 3.97Å; I925-W942 CarbonylContact C-O 3.58Å; I925-W942 WeakPolarHBondContact CA-O 3.43Å; I925-W942 WeakPolarHBondContact CG1-O 3.48Å; I925-A943 HydrophobicContact CB-CB 4.32Å; I925-A943 HydrophobicContact CG1-CB 4.17Å |
| 926 | S | 96.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 139.5 | 168.8 | -166 | 0 | 0 | 0 | 0 | 112.2 | E760 W942 R1123 | E760-S926 WeakPolarHBondContact OE2-CA 3.47Å; E760-S926 PolarHBondContact OE2-OG 2.88Å; S926-W942 PolarHBondContact N-O 3.13Å; S926-W942 PolarHBondContact O-N 3.35Å; S926-R1123 PolarHBondContact OG-NH1 3.44Å |
| 927 | L | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.6 | 174.2 | -82.8 | 77.9 | 0 | 0 | 0 | 109.7 | E760 N762 L766 W768 I925 V941 R1123 | E760-L927 HydrophobicContact CB-CD1 3.82Å; E760-L927 PolarHBondContact OE2-N 2.73Å; N762-L927 HydrophobicContact CB-CB 4.16Å; N762-L927 HydrophobicContact CB-CD2 4.14Å; L766-L927 HydrophobicContact CB-CD2 3.76Å; W768-L927 HydrophobicContact CB-CD1 3.81Å; W768-L927 HydrophobicContact CG-CD1 3.93Å; I925-L927 HydrophobicContact CG1-CD1 4.44Å; L927-V941 HydrophobicContact CD1-CG1 3.83Å; L927-V941 HydrophobicContact CD2-CG2 4.5Å; L927-V941 HydrophobicContact CG-CG1 4.03Å; L927-V941 HydrophobicContact CG-CG2 3.95Å; L927-R1123 PolarHBondContact O-NH1 2.89Å |
| 928 | M | 90.3 | Very high | 83.1 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.1 | 176.2 | -169.1 | 170.1 | 78.5 | 0 | 0 | 110.8 | N762 M936 P940 I980 G981 | N762-M928 PolarHBondContact ND2-O 2.82Å; M928-M936 HydrophobicContact CE-CE 3.55Å; M928-M936 HydrophobicContact CE-SD 3.35Å; M928-M936 WeakPolarHBondContact CE-SD 3.43Å; M928-P940 HydrophobicContact CB-CB 4.48Å; M928-P940 HydrophobicContact CE-CG 4.07Å; M928-P940 PolarHBondContact N-O 3.08Å; M928-P940 HydrophobicContact SD-CG 4.12Å; M928-I980 HydrophobicContact CB-CD1 4.17Å; M928-I980 HydrophobicContact CB-CG1 4.07Å; M928-I980 HydrophobicContact CB-CG2 4.17Å; M928-I980 HydrophobicContact CG-CD1 4.33Å; M928-I980 HydrophobicContact CG-CG1 4.05Å; M928-I980 HydrophobicContact SD-CD1 4.08Å; M928-I980 HydrophobicContact SD-CG1 4.27Å; M928-G981 WeakPolarHBondContact CG-O 3.48Å |
| 929 | P | 87.1 | Confident | 83.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 143.4 | 175.2 | 33.2 | -33.4 | 0 | 0 | 0 | 109.6 | I980 P1071 R1123 | P929-I980 VanDerWaalsContact CD-O 3.3Å; P929-I980 WeakPolarHBondContact CD-O 3.27Å; P929-P1071 HydrophobicContact CB-CB 3.98Å; P929-R1123 HydrophobicContact CB-CB 4.3Å; P929-R1123 HydrophobicContact CB-CG 4.35Å |
| 930 | C | 83.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.054 | 25% | 0.248 | C | C | . | . | trans | -132 | 160.9 | -175.2 | -63 | 0 | 0 | 0 | 0 | 110.8 | S763 P1071 S1126 | S763-C930 VanDerWaalsContact CB-O 3.25Å; S763-C930 WeakPolarHBondContact CB-O 3.39Å; S763-C930 PolarHBondContact OG-O 2.93Å; C930-P1071 WeakPolarHBondContact O-CB 3.39Å; C930-S1126 WeakPolarHBondContact O-CB 3.42Å | ||
| 931 | L | 78.8 | Confident | 84.2 | Confident | 30 Ų | 30 | 46.8 Ų | 46.8 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | trans | -80 | 158.2 | 170.2 | -58.9 | 177.4 | 0 | 0 | 0 | 110.7 | Q933 S934 L1072 | L931-Q933 PolarHBondContact O-N 3.49Å; L931-S934 PolarHBondContact N-OG 2.88Å; L931-S934 WeakPolarHBondContact O-CB 3.36Å; L931-S934 PolarHBondContact O-N 3.45Å; L931-S934 PolarHBondContact O-OG 3.16Å; L931-L1072 HydrophobicContact CD2-CD2 3.95Å | ||
| 932 | T | 70.2 | Confident | 84.4 | Confident | 81 Ų | 81 | 42.6 Ų | 42.6 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.8 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 113.4 | Q715 S1126 | Q715-T932 PolarHBondContact NE2-OG1 2.9Å; T932-S1126 PolarHBondContact N-OG 3.16Å; T932-S1126 VanDerWaalsContact OG1-CB 3.3Å; T932-S1126 WeakPolarHBondContact OG1-CB 3.3Å; T932-S1126 PolarHBondContact OG1-O 3.41Å; T932-S1126 PolarHBondContact OG1-OG 2.87Å |
| 933 | Q | 64.6 | Low | 84.4 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12.1 | -176.6 | -52 | -175 | 8 | 0 | 0 | 113.4 | L32 L931 K935 | L32-Q933 HydrophobicContact CD2-CB 3.56Å; L32-Q933 WeakPolarHBondContact CD2-O 3.24Å; L931-Q933 PolarHBondContact O-N 3.49Å; Q933-K935 PolarHBondContact O-N 3.19Å |
| 934 | S | 66.9 | Low | 84.6 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | trans | -66.1 | 116.9 | -173.2 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | L764 L931 M936 | L764-S934 WeakPolarHBondContact CD2-O 3.39Å; L931-S934 PolarHBondContact N-OG 2.88Å; L931-S934 WeakPolarHBondContact O-CB 3.36Å; L931-S934 PolarHBondContact O-N 3.45Å; L931-S934 PolarHBondContact O-OG 3.16Å; S934-M936 PolarHBondContact O-N 3.17Å | ||
| 935 | K | 64 | Low | 84.5 | Confident | 190 Ų | 190 | 40.1 Ų | 40.1 | 83% | 0.826 | 20% | 0.199 | S | C | * | . | trans | -98.9 | 72.8 | 176.1 | -66.3 | 178.8 | -176.6 | 172.3 | 0 | 111.4 | Q933 | Q933-K935 PolarHBondContact O-N 3.19Š| ||
| 936 | M | 70.1 | Confident | 84.2 | Confident | 74 Ų | 74 | 44.4 Ų | 44.4 | 37% | 0.365 | 22% | 0.222 | S | C | . | . | trans | -88.8 | 129.8 | 174.9 | -72.1 | -178.9 | 160.8 | 0 | 0 | 111.5 | L764 M928 S934 | L764-M936 HydrophobicContact CD1-CB 4.39Å; M928-M936 HydrophobicContact CE-CE 3.55Å; M928-M936 HydrophobicContact CE-SD 3.35Å; M928-M936 WeakPolarHBondContact CE-SD 3.43Å; S934-M936 PolarHBondContact O-N 3.17Å | ||
| 937 | E | 73.6 | Confident | 83.9 | Confident | 168 Ų | 168 | 50.7 Ų | 50.7 | 79% | 0.785 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -72.5 | -35.8 | 175.4 | -60.8 | -171.3 | 152.6 | 0 | 0 | 112.4 | S957 | E937-S957 WeakPolarHBondContact O-CB 3.42Š|
| 938 | Q | 83.6 | Confident | 83.8 | Confident | 117 Ų | 117 | 50.7 Ų | 50.7 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -128 | 141.2 | 176.5 | -65.4 | -174.3 | 61.2 | 0 | 0 | 110.1 | G955 V956 | Q938-G955 VanDerWaalsContact OE1-CA 3.32Å; Q938-V956 CarbonylContact C-O 3.44Å; Q938-V956 VanDerWaalsContact CA-O 3.28Å; Q938-V956 WeakPolarHBondContact CA-O 3.2Å |
| 939 | V | 88.1 | Confident | 84 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | trans | -106 | 120.2 | 178.1 | 177 | 0 | 0 | 0 | 0 | 109 | N762 L764 L766 V941 V956 | N762-V939 WeakPolarHBondContact ND2-CG1 3.42Å; L764-V939 HydrophobicContact CD1-CG2 3.69Å; L766-V939 HydrophobicContact CD1-CB 3.85Å; L766-V939 HydrophobicContact CD1-CG1 4.15Å; L766-V939 HydrophobicContact CD1-CG2 3.7Å; V939-V941 HydrophobicContact CG1-CG2 4.32Å; V939-V941 PolarHBondContact O-N 2.88Å; V939-V956 HydrophobicContact CB-CG1 4.46Å; V939-V956 PolarHBondContact N-O 2.85Å | ||
| 940 | P | 89.9 | Confident | 84.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -60.4 | 125.8 | 169.2 | -25.6 | 36.9 | 0 | 0 | 0 | 111.3 | M928 I980 | M928-P940 HydrophobicContact CB-CB 4.48Å; M928-P940 HydrophobicContact CE-CG 4.07Å; M928-P940 PolarHBondContact N-O 3.08Å; M928-P940 HydrophobicContact SD-CG 4.12Å; P940-I980 HydrophobicContact CB-CD1 3.59Å; P940-I980 HydrophobicContact CG-CD1 4.46Å | ||
| 941 | V | 94.1 | Very high | 85 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.5 | 173.5 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | I925 L927 V939 R953 V956 | I925-V941 HydrophobicContact CD1-CG1 3.94Å; I925-V941 HydrophobicContact CG1-CG1 3.97Å; L927-V941 HydrophobicContact CD1-CG1 3.83Å; L927-V941 HydrophobicContact CD2-CG2 4.5Å; L927-V941 HydrophobicContact CG-CG1 4.03Å; L927-V941 HydrophobicContact CG-CG2 3.95Å; V939-V941 HydrophobicContact CG1-CG2 4.32Å; V939-V941 PolarHBondContact O-N 2.88Å; V941-R953 HydrophobicContact CB-CB 4.07Å; V941-R953 PolarHBondContact O-N 2.97Å; V941-V956 HydrophobicContact CG2-CB 4.21Å; V941-V956 HydrophobicContact CG2-CG1 3.95Å; V941-V956 HydrophobicContact CG2-CG2 4.06Å |
| 942 | W | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.8 | -178.1 | -74.8 | 77.5 | 0 | 0 | 0 | 110.2 | I925 S926 V950 L951 C952 V969 I978 V986 V1001 P1006 | I925-W942 CarbonylContact C-O 3.58Å; I925-W942 WeakPolarHBondContact CA-O 3.43Å; I925-W942 WeakPolarHBondContact CG1-O 3.48Å; S926-W942 PolarHBondContact N-O 3.13Å; S926-W942 PolarHBondContact O-N 3.35Å; W942-V950 HydrophobicContact CE3-CG1 3.67Å; W942-V950 HydrophobicContact CZ3-CG1 3.62Å; W942-L951 CarbonylContact C-O 3.49Å; W942-L951 WeakPolarHBondContact CA-O 3.05Å; W942-C952 HydrophobicContact CD2-CB 4.34Å; W942-C952 HydrophobicContact CE3-CB 4.46Å; W942-C952 HydrophobicContact CZ2-CB 4.39Å; W942-V969 HydrophobicContact CH2-CG1 4.44Å; W942-V969 HydrophobicContact CH2-CG2 3.89Å; W942-V969 HydrophobicContact CZ3-CB 4.24Å; W942-V969 HydrophobicContact CZ3-CG1 4.24Å; W942-V969 HydrophobicContact CZ3-CG2 3.73Å; W942-I978 HydrophobicContact CB-CD1 4.03Å; W942-I978 HydrophobicContact CB-CG1 4.29Å; W942-I978 HydrophobicContact CD2-CD1 4.37Å; W942-I978 HydrophobicContact CE3-CD1 3.71Å; W942-V986 HydrophobicContact CD2-CG1 4.13Å; W942-V986 HydrophobicContact CD2-CG2 4.1Å; W942-V986 HydrophobicContact CE3-CG1 4.17Å; W942-V986 HydrophobicContact CG-CG2 4.34Å; W942-V986 HydrophobicContact CZ2-CG2 3.9Å; W942-V986 HydrophobicContact CZ3-CG1 4.34Å; W942-V1001 HydrophobicContact CZ2-CG1 4.04Å; W942-V1001 HydrophobicContact CZ2-CG2 4.15Å; W942-P1006 VanDerWaalsContact CZ2-O 3.25Å; W942-P1006 WeakPolarHBondContact CZ2-O 3.36Å |
| 943 | A | 96.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L922 D924 I925 L951 W966 | L922-A943 HydrophobicContact CD1-CB 3.93Å; L922-A943 HydrophobicContact CD2-CB 3.98Å; D924-A943 WeakPolarHBondContact O-CA 3.37Å; D924-A943 WeakPolarHBondContact O-CB 3.23Å; I925-A943 HydrophobicContact CB-CB 4.32Å; I925-A943 HydrophobicContact CG1-CB 4.17Å; A943-L951 PolarHBondContact N-O 3.02Å; A943-L951 PolarHBondContact O-N 2.82Å; A943-W966 HydrophobicContact CB-CH2 3.83Å; A943-W966 HydrophobicContact CB-CZ3 3.79Å |
| 944 | L | 96.8 | Very high | 88 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.9 | 171.9 | -61.3 | -176 | 0 | 0 | 0 | 110.3 | L922 S923 D924 D949 V950 F975 K976 I978 | L922-L944 CarbonylContact C-O 3.5Å; L922-L944 WeakPolarHBondContact CA-O 3.46Å; S923-L944 PolarHBondContact N-O 2.89Å; S923-L944 WeakPolarHBondContact OG-CB 3.05Å; D924-L944 HydrophobicContact CB-CB 4.34Å; D924-L944 HydrophobicContact CB-CD1 4.16Å; D924-L944 HydrophobicContact CB-CG 4.32Å; D924-L944 PolarHBondContact O-N 3.3Å; L944-D949 WeakPolarHBondContact CA-O 3.49Å; L944-V950 HydrophobicContact CD2-CB 4.32Å; L944-V950 HydrophobicContact CD2-CG1 4.5Å; L944-V950 HydrophobicContact CD2-CG2 3.7Å; L944-F975 HydrophobicContact CD1-CB 3.77Å; L944-F975 HydrophobicContact CD2-CB 3.73Å; L944-F975 HydrophobicContact CG-CB 4.42Å; L944-K976 VanDerWaalsContact CD1-C 3.49Å; L944-I978 HydrophobicContact CD1-CB 4.36Å; L944-I978 HydrophobicContact CD1-CG2 4.42Å; L944-I978 HydrophobicContact CD2-CB 4.11Å; L944-I978 HydrophobicContact CD2-CD1 4.22Å; L944-I978 HydrophobicContact CD2-CG2 4.18Å; L944-I978 HydrophobicContact CG-CB 4.04Å; L944-I978 HydrophobicContact CG-CG2 3.78Å |
| 945 | S | 94.7 | Very high | 89 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 167.7 | 169.2 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | H921 S923 K947 G948 D949 | H921-S945 WeakPolarHBondContact O-CA 3.32Å; S923-S945 PolarHBondContact OG-O 3.06Å; S923-S945 VanDerWaalsContact OG-O 3.08Å; S945-K947 PolarHBondContact O-N 2.88Å; S945-K947 PolarHBondContact OG-N 2.95Å; S945-K947 VanDerWaalsContact OG-N 3.16Å; S945-G948 PolarHBondContact O-N 2.69Å; S945-G948 PolarHBondContact OG-N 2.74Å; S945-G948 VanDerWaalsContact OG-N 3.16Å; S945-D949 WeakPolarHBondContact CB-OD2 3.48Å; S945-D949 PolarHBondContact N-O 2.71Å; S945-D949 WeakPolarHBondContact OG-CB 3.49Å; S945-D949 PolarHBondContact OG-N 3.03Å; S945-D949 PolarHBondContact OG-OD2 3.43Å |
| 946 | D | 89.3 | Confident | 90.3 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 51% | 0.508 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.9 | 168 | 67.8 | -31 | 0 | 0 | 0 | 113.7 | H921 R991 | H921-D946 PolarHBondContact O-N 2.83Å; H921-D946 VanDerWaalsContact O-N 3.15Å; D946-R991 PolarHBondContact O-NH2 2.87Å |
| 947 | K | 90.2 | Very high | 91.2 | Very high | 135 Ų | 135 | 33.8 Ų | 33.8 | 59% | 0.587 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.8 | 174.9 | -63 | 165.2 | -168.3 | 169.1 | 0 | 113.9 | S945 P974 R991 | S945-K947 PolarHBondContact O-N 2.88Å; S945-K947 PolarHBondContact OG-N 2.95Å; S945-K947 VanDerWaalsContact OG-N 3.16Å; K947-P974 WeakPolarHBondContact O-CB 3.43Å; K947-R991 VanDerWaalsContact C-CZ 3.49Å; K947-R991 PolarHBondContact O-NH1 2.93Å; K947-R991 VanDerWaalsContact O-NH1 3.13Å; K947-R991 PolarHBondContact O-NH2 3.18Å; K947-R991 VanDerWaalsContact O-NH2 3.15Å |
| 948 | G | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | 92.6 | 15.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S945 F975 | S945-G948 PolarHBondContact O-N 2.69Å; S945-G948 PolarHBondContact OG-N 2.74Å; S945-G948 VanDerWaalsContact OG-N 3.16Å; G948-F975 VanDerWaalsContact CA-O 3.32Å; G948-F975 WeakPolarHBondContact CA-O 3.28Å; G948-F975 PolarHBondContact O-N 2.87Å | ||
| 949 | D | 94.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 28% | 0.283 | 16% | 0.159 | S | C | . | . | trans | -70.5 | 140.2 | 173.3 | -35.5 | -57.1 | 0 | 0 | 0 | 109.3 | L944 S945 | L944-D949 WeakPolarHBondContact CA-O 3.49Å; S945-D949 WeakPolarHBondContact CB-OD2 3.48Å; S945-D949 PolarHBondContact N-O 2.71Å; S945-D949 WeakPolarHBondContact OG-CB 3.49Å; S945-D949 PolarHBondContact OG-N 3.03Å; S945-D949 PolarHBondContact OG-OD2 3.43Å | ||
| 950 | V | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.9 | -177 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | W942 L944 V969 T971 F975 I978 W1011 | W942-V950 HydrophobicContact CE3-CG1 3.67Å; W942-V950 HydrophobicContact CZ3-CG1 3.62Å; L944-V950 HydrophobicContact CD2-CB 4.32Å; L944-V950 HydrophobicContact CD2-CG1 4.5Å; L944-V950 HydrophobicContact CD2-CG2 3.7Å; V950-V969 HydrophobicContact CB-CB 4.23Å; V950-V969 HydrophobicContact CG1-CB 4.12Å; V950-V969 PolarHBondContact O-N 2.9Å; V950-T971 HydrophobicContact CB-CG2 4.21Å; V950-T971 HydrophobicContact CG2-CG2 3.64Å; V950-F975 HydrophobicContact CG2-CB 4.38Å; V950-F975 HydrophobicContact CG2-CD2 3.81Å; V950-F975 HydrophobicContact CG2-CE2 4.4Å; V950-F975 HydrophobicContact CG2-CG 4.11Å; V950-I978 HydrophobicContact CG1-CD1 3.62Å; V950-W1011 HydrophobicContact CB-CZ2 4.33Å; V950-W1011 HydrophobicContact CG1-CH2 4.32Å; V950-W1011 HydrophobicContact CG1-CZ2 4.02Å; V950-W1011 HydrophobicContact CG2-CH2 4.46Å; V950-W1011 HydrophobicContact CG2-CZ2 4.01Å |
| 951 | L | 94.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.2 | -174.2 | -55.7 | 173.4 | 0 | 0 | 0 | 111.3 | I920 L922 W942 A943 W966 L967 H968 | I920-L951 HydrophobicContact CD1-CD1 4.05Å; I920-L951 HydrophobicContact CG2-CD1 3.9Å; L922-L951 HydrophobicContact CD2-CD1 3.89Å; W942-L951 CarbonylContact C-O 3.49Å; W942-L951 WeakPolarHBondContact CA-O 3.05Å; A943-L951 PolarHBondContact N-O 3.02Å; A943-L951 PolarHBondContact O-N 2.82Å; L951-W966 HydrophobicContact CB-CE3 3.81Å; L951-W966 HydrophobicContact CB-CZ3 4.22Å; L951-L967 WeakPolarHBondContact CA-O 3.19Å; L951-H968 HydrophobicContact CD2-CB 4.39Å |
| 952 | C | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.3 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | W942 L967 V969 P1006 | W942-C952 HydrophobicContact CD2-CB 4.34Å; W942-C952 HydrophobicContact CE3-CB 4.46Å; W942-C952 HydrophobicContact CZ2-CB 4.39Å; C952-L967 PolarHBondContact N-O 3.35Å; C952-L967 PolarHBondContact O-N 3.21Å; C952-V969 HydrophobicContact CB-CG2 4.38Å; C952-P1006 PolarHBondContact SG-O 3.15Å |
| 953 | R | 93.5 | Very high | 91.5 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.6 | 176.9 | -165 | 77.2 | -179.7 | 153.6 | 9.1 | 110.2 | W768 V941 V956 A962 G963 S964 S965 W966 | W768-R953 HydrophobicContact CH2-CG 3.91Å; W768-R953 HydrophobicContact CZ2-CG 4.25Å; V941-R953 HydrophobicContact CB-CB 4.07Å; V941-R953 PolarHBondContact O-N 2.97Å; R953-V956 HydrophobicContact CB-CG2 3.85Å; R953-V956 HydrophobicContact CG-CG2 3.34Å; R953-A962 VanDerWaalsContact CZ-O 3.24Å; R953-A962 PolarHBondContact NE-O 2.95Å; R953-A962 PolarHBondContact NH2-O 3.2Å; R953-G963 PolarHBondContact NH2-O 2.81Å; R953-S964 PolarHBondContact NH2-O 3.35Å; R953-S965 WeakPolarHBondContact CD-O 3.42Å; R953-W966 HydrophobicContact CB-CE3 3.86Å; R953-W966 HydrophobicContact CB-CH2 4.21Å; R953-W966 HydrophobicContact CB-CZ3 3.63Å; R953-W966 HydrophobicContact CG-CE3 4.34Å; R953-W966 HydrophobicContact CG-CH2 4.47Å; R953-W966 HydrophobicContact CG-CZ3 4.26Å |
| 954 | L | 90.6 | Very high | 91.1 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 25% | 0.246 | 21% | 0.214 | C | C | . | . | trans | -93.5 | 155.4 | 178 | -56.7 | -177.3 | 0 | 0 | 0 | 111.8 | V956 G963 S964 S965 L967 P1006 | L954-V956 VanDerWaalsContact C-N 3.26Å; L954-V956 PolarHBondContact O-N 2.82Å; L954-G963 CarbonylContact O-C 3.6Å; L954-G963 WeakPolarHBondContact O-CA 3.34Å; L954-S964 PolarHBondContact O-N 3.39Å; L954-S964 PolarHBondContact O-OG 3.23Å; L954-S965 PolarHBondContact N-O 3Å; L954-L967 HydrophobicContact CD1-CB 4.19Å; L954-L967 HydrophobicContact CD1-CD2 4.4Å; L954-L967 HydrophobicContact CD2-CB 4.45Å; L954-L967 HydrophobicContact CD2-CD2 4.28Å; L954-L967 HydrophobicContact CG-CB 4.2Å; L954-P1006 HydrophobicContact CD2-CB 4.07Å; L954-P1006 HydrophobicContact CD2-CG 3.69Å | ||
| 955 | G | 87.1 | Confident | 90.9 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 67.5 | 17.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q938 N960 G963 | Q938-G955 VanDerWaalsContact OE1-CA 3.32Å; G955-N960 PolarHBondContact O-ND2 2.73Å; G955-G963 WeakPolarHBondContact O-CA 3.41Å |
| 956 | V | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -77.1 | 123.1 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | L766 W768 Q938 V939 V941 R953 L954 | L766-V956 HydrophobicContact CD1-CG1 3.66Å; W768-V956 HydrophobicContact CZ2-CG2 4.17Å; Q938-V956 CarbonylContact C-O 3.44Å; Q938-V956 VanDerWaalsContact CA-O 3.28Å; Q938-V956 WeakPolarHBondContact CA-O 3.2Å; V939-V956 HydrophobicContact CB-CG1 4.46Å; V939-V956 PolarHBondContact N-O 2.85Å; V941-V956 HydrophobicContact CG2-CB 4.21Å; V941-V956 HydrophobicContact CG2-CG1 3.95Å; V941-V956 HydrophobicContact CG2-CG2 4.06Å; R953-V956 HydrophobicContact CB-CG2 3.85Å; R953-V956 HydrophobicContact CG-CG2 3.34Å; L954-V956 VanDerWaalsContact C-N 3.26Å; L954-V956 PolarHBondContact O-N 2.82Å | ||
| 957 | S | 89.5 | Confident | 91 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | trans | -146.8 | 167.1 | 176.8 | 74.5 | 0 | 0 | 0 | 0 | 111.1 | E937 Q959 N960 P961 | E937-S957 WeakPolarHBondContact O-CB 3.42Å; S957-Q959 PolarHBondContact O-N 2.9Å; S957-Q959 VanDerWaalsContact O-N 3.11Å; S957-Q959 PolarHBondContact OG-N 3.18Å; S957-Q959 PolarHBondContact OG-OE1 3.49Å; S957-N960 PolarHBondContact N-O 3.4Å; S957-N960 VanDerWaalsContact N-O 3.13Å; S957-N960 CarbonylContact O-C 3.57Å; S957-N960 PolarHBondContact O-N 3.43Å; S957-N960 PolarHBondContact OG-N 2.91Å; S957-P961 WeakPolarHBondContact O-CA 3.49Å | ||
| 958 | P | 85.3 | Confident | 91.1 | Very high | 51 Ų | 51 | 40.2 Ų | 40.2 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -56.1 | -24.8 | 172.6 | -26.8 | 36.9 | 0 | 0 | 0 | 114.3 | L764 | L764-P958 HydrophobicContact CB-CG 4.16Å; L764-P958 HydrophobicContact CD1-CG 4.37Å |
| 959 | Q | 85.8 | Confident | 91.1 | Very high | 160 Ų | 160 | 40.4 Ų | 40.4 | 75% | 0.748 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -89 | -26.7 | 176.8 | -59.3 | 78.8 | 5.4 | 0 | 0 | 112.6 | S957 | S957-Q959 PolarHBondContact O-N 2.9Å; S957-Q959 VanDerWaalsContact O-N 3.11Å; S957-Q959 PolarHBondContact OG-N 3.18Å; S957-Q959 PolarHBondContact OG-OE1 3.49Å |
| 960 | N | 88.9 | Confident | 90.6 | Very high | 63 Ų | 63 | 40.4 Ų | 40.4 | 34% | 0.337 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -127.3 | 76.4 | 169.5 | -178 | 31.8 | 0 | 0 | 0 | 111.6 | G955 S957 A962 G963 | G955-N960 PolarHBondContact O-ND2 2.73Å; S957-N960 PolarHBondContact N-O 3.4Å; S957-N960 VanDerWaalsContact N-O 3.13Å; S957-N960 CarbonylContact O-C 3.57Å; S957-N960 PolarHBondContact O-N 3.43Å; S957-N960 PolarHBondContact OG-N 2.91Å; N960-A962 PolarHBondContact O-N 2.59Å; N960-G963 WeakPolarHBondContact ND2-CA 3.5Å; N960-G963 PolarHBondContact ND2-O 3.07Å; N960-G963 PolarHBondContact O-N 3.45Å; N960-G963 VanDerWaalsContact O-N 3.07Å |
| 961 | P | 89.9 | Confident | 90.2 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.7 | -174.9 | -30.9 | 39.2 | 0 | 0 | 0 | 115.1 | L766 W768 V778 S957 | L766-P961 HydrophobicContact CD2-CB 3.7Å; L766-P961 HydrophobicContact CD2-CG 3.96Å; W768-P961 WeakPolarHBondContact CZ2-O 3.41Å; W768-P961 PolarHBondContact NE1-O 3.46Å; V778-P961 HydrophobicContact CG1-CB 3.46Å; V778-P961 VanDerWaalsContact CG1-CB 3.46Å; S957-P961 WeakPolarHBondContact O-CA 3.49Å |
| 962 | A | 90.2 | Very high | 89.7 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 12% | 0.116 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V917 R953 N960 | V917-A962 HydrophobicContact CG2-CB 3.85Å; R953-A962 VanDerWaalsContact CZ-O 3.24Å; R953-A962 PolarHBondContact NE-O 2.95Å; R953-A962 PolarHBondContact NH2-O 3.2Å; N960-A962 PolarHBondContact O-N 2.59Å |
| 963 | G | 90.7 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | trans | 66.3 | -175 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R953 L954 G955 N960 | R953-G963 PolarHBondContact NH2-O 2.81Å; L954-G963 CarbonylContact O-C 3.6Å; L954-G963 WeakPolarHBondContact O-CA 3.34Å; G955-G963 WeakPolarHBondContact O-CA 3.41Å; N960-G963 WeakPolarHBondContact ND2-CA 3.5Å; N960-G963 PolarHBondContact ND2-O 3.07Å; N960-G963 PolarHBondContact O-N 3.45Å; N960-G963 VanDerWaalsContact O-N 3.07Å | ||
| 964 | S | 89.4 | Confident | 89.5 | Confident | 79 Ų | 79 | 53 Ų | 53 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -100.8 | -57.3 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 112 | R953 L954 | R953-S964 PolarHBondContact NH2-O 3.35Å; L954-S964 PolarHBondContact O-N 3.39Å; L954-S964 PolarHBondContact O-OG 3.23Å |
| 965 | S | 90.9 | Very high | 89.7 | Confident | 53 Ų | 53 | 50.8 Ų | 50.8 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | trans | -144.7 | 165.2 | -171.1 | 58 | 0 | 0 | 0 | 0 | 112.9 | R953 L954 | R953-S965 WeakPolarHBondContact CD-O 3.42Å; L954-S965 PolarHBondContact N-O 3Å | ||
| 966 | W | 93.3 | Very high | 90.1 | Very high | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.8 | 167.8 | -66.7 | 112.6 | 0 | 0 | 0 | 109.6 | W768 I920 L922 A943 L951 R953 | W768-W966 HydrophobicContact CH2-CH2 4.36Å; W768-W966 HydrophobicContact CH2-CZ2 4.33Å; W768-W966 AromaticContact CZ3-CH2 3.96Å; W768-W966 HydrophobicContact CZ3-CH2 3.96Å; W768-W966 AromaticContact CZ3-CZ2 3.93Å; W768-W966 HydrophobicContact CZ3-CZ2 3.93Å; I920-W966 HydrophobicContact CD1-CB 4.03Å; I920-W966 HydrophobicContact CD1-CG 3.9Å; L922-W966 HydrophobicContact CD1-CH2 3.87Å; L922-W966 HydrophobicContact CD1-CZ2 3.87Å; L922-W966 HydrophobicContact CD2-CH2 4.46Å; L922-W966 HydrophobicContact CD2-CZ2 4.33Å; A943-W966 HydrophobicContact CB-CH2 3.83Å; A943-W966 HydrophobicContact CB-CZ3 3.79Å; L951-W966 HydrophobicContact CB-CE3 3.81Å; L951-W966 HydrophobicContact CB-CZ3 4.22Å; R953-W966 HydrophobicContact CB-CE3 3.86Å; R953-W966 HydrophobicContact CB-CH2 4.21Å; R953-W966 HydrophobicContact CB-CZ3 3.63Å; R953-W966 HydrophobicContact CG-CE3 4.34Å; R953-W966 HydrophobicContact CG-CH2 4.47Å; R953-W966 HydrophobicContact CG-CZ3 4.26Å |
| 967 | L | 92.5 | Very high | 90.3 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 34% | 0.34 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.8 | 170.4 | 177.8 | 58.3 | 0 | 0 | 0 | 108.4 | L951 C952 L954 A1007 | L951-L967 WeakPolarHBondContact CA-O 3.19Å; C952-L967 PolarHBondContact N-O 3.35Å; C952-L967 PolarHBondContact O-N 3.21Å; L954-L967 HydrophobicContact CD1-CB 4.19Å; L954-L967 HydrophobicContact CD1-CD2 4.4Å; L954-L967 HydrophobicContact CD2-CB 4.45Å; L954-L967 HydrophobicContact CD2-CD2 4.28Å; L954-L967 HydrophobicContact CG-CB 4.2Å; L967-A1007 HydrophobicContact CD2-CB 3.89Å |
| 968 | H | 92.3 | Very high | 90.7 | Very high | 111 Ų | 111 | 52 Ų | 52 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 129.3 | 176.9 | -178.3 | -84.2 | 0 | 0 | 0 | 110.4 | L951 | L951-H968 HydrophobicContact CD2-CB 4.39Å |
| 969 | V | 92.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.2 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | W942 V950 C952 T971 R998 A1007 W1011 | W942-V969 HydrophobicContact CH2-CG1 4.44Å; W942-V969 HydrophobicContact CH2-CG2 3.89Å; W942-V969 HydrophobicContact CZ3-CB 4.24Å; W942-V969 HydrophobicContact CZ3-CG1 4.24Å; W942-V969 HydrophobicContact CZ3-CG2 3.73Å; V950-V969 HydrophobicContact CB-CB 4.23Å; V950-V969 HydrophobicContact CG1-CB 4.12Å; V950-V969 PolarHBondContact O-N 2.9Å; C952-V969 HydrophobicContact CB-CG2 4.38Å; V969-T971 PolarHBondContact O-N 2.98Å; V969-R998 VanDerWaalsContact CG1-CZ 3.49Å; V969-A1007 HydrophobicContact CG2-CB 4.28Å; V969-W1011 HydrophobicContact CG1-CZ2 4.34Å |
| 970 | G | 85.3 | Confident | 91.6 | Very high | 53 Ų | 53 | 42 Ų | 42 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.3 | 131.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1011 | G970-W1011 PolarHBondContact O-NE1 2.63Š|
| 971 | T | 86.1 | Confident | 91.5 | Very high | 44 Ų | 44 | 39 Ų | 39 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | trans | -133.1 | 153 | 166.4 | 64 | 0 | 0 | 0 | 0 | 109.8 | V950 V969 Q973 F975 W1011 | V950-T971 HydrophobicContact CB-CG2 4.21Å; V950-T971 HydrophobicContact CG2-CG2 3.64Å; V969-T971 PolarHBondContact O-N 2.98Å; T971-Q973 VanDerWaalsContact CB-O 3.31Å; T971-Q973 WeakPolarHBondContact CB-O 3.47Å; T971-Q973 PolarHBondContact OG1-O 3.48Å; T971-F975 HydrophobicContact CG2-CD2 3.94Å; T971-F975 HydrophobicContact CG2-CE2 3.53Å; T971-F975 HydrophobicContact CG2-CZ 4.49Å; T971-W1011 HydrophobicContact CG2-CZ2 4.23Å | ||
| 972 | D | 85.4 | Confident | 91 | Very high | 140 Ų | 140 | 37.7 Ų | 37.7 | 75% | 0.749 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -80.4 | -32 | 169.1 | 56 | -20 | 0 | 0 | 0 | 111.9 | ||
| 973 | Q | 89.8 | Confident | 90.2 | Very high | 55 Ų | 55 | 38.3 Ų | 38.3 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -132.7 | 157.4 | 179.3 | 61 | 176 | 6.2 | 0 | 0 | 114.4 | T971 F975 A990 D992 | T971-Q973 VanDerWaalsContact CB-O 3.31Å; T971-Q973 WeakPolarHBondContact CB-O 3.47Å; T971-Q973 PolarHBondContact OG1-O 3.48Å; Q973-F975 VanDerWaalsContact O-CD2 3.27Å; Q973-F975 WeakPolarHBondContact O-CD2 3.37Å; Q973-F975 VanDerWaalsContact O-CE2 3.3Å; Q973-F975 WeakPolarHBondContact O-CE2 3.46Å; Q973-A990 HydrophobicContact CG-CB 4.18Å; Q973-A990 VanDerWaalsContact NE2-CB 3.27Å; Q973-D992 PolarHBondContact NE2-OD2 3.14Å |
| 974 | P | 93.5 | Very high | 89.7 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 36% | 0.364 | 23% | 0.228 | S | C | . | . | trans | -80.5 | 144.7 | -179 | 31.1 | -36.2 | 0 | 0 | 0 | 113.2 | K947 R991 | K947-P974 WeakPolarHBondContact O-CB 3.43Å; P974-R991 HydrophobicContact CB-CG 4.5Å; P974-R991 HydrophobicContact CG-CG 4.44Å; P974-R991 WeakPolarHBondContact O-CG 3.35Å; P974-R991 PolarHBondContact O-N 2.84Å | ||
| 975 | F | 95.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 164.1 | -176.7 | -75 | -102.3 | 0 | 0 | 0 | 113.8 | L944 G948 V950 T971 Q973 A988 I989 A990 R991 F996 | L944-F975 HydrophobicContact CD1-CB 3.77Å; L944-F975 HydrophobicContact CD2-CB 3.73Å; L944-F975 HydrophobicContact CG-CB 4.42Å; G948-F975 VanDerWaalsContact CA-O 3.32Å; G948-F975 WeakPolarHBondContact CA-O 3.28Å; G948-F975 PolarHBondContact O-N 2.87Å; V950-F975 HydrophobicContact CG2-CB 4.38Å; V950-F975 HydrophobicContact CG2-CD2 3.81Å; V950-F975 HydrophobicContact CG2-CE2 4.4Å; V950-F975 HydrophobicContact CG2-CG 4.11Å; T971-F975 HydrophobicContact CG2-CD2 3.94Å; T971-F975 HydrophobicContact CG2-CE2 3.53Å; T971-F975 HydrophobicContact CG2-CZ 4.49Å; Q973-F975 VanDerWaalsContact O-CD2 3.27Å; Q973-F975 WeakPolarHBondContact O-CD2 3.37Å; Q973-F975 VanDerWaalsContact O-CE2 3.3Å; Q973-F975 WeakPolarHBondContact O-CE2 3.46Å; F975-A988 HydrophobicContact CD1-CB 3.4Å; F975-A988 HydrophobicContact CE1-CB 3.53Å; F975-A988 HydrophobicContact CG-CB 4.41Å; F975-I989 VanDerWaalsContact CD1-O 3.31Å; F975-I989 WeakPolarHBondContact CD1-O 3.46Å; F975-A990 HydrophobicContact CD1-CB 4.29Å; F975-A990 HydrophobicContact CE1-CB 4.11Å; F975-A990 HydrophobicContact CZ-CB 4.32Å; F975-R991 PolarHBondContact O-NE 2.87Å; F975-F996 HydrophobicContact CE1-CB 4.19Å; F975-F996 AromaticContact CE1-CD2 3.67Å; F975-F996 HydrophobicContact CE1-CD2 3.67Å; F975-F996 HydrophobicContact CE1-CE2 4.46Å; F975-F996 HydrophobicContact CE1-CG 4.18Å; F975-F996 HydrophobicContact CZ-CB 4.33Å; F975-F996 AromaticContact CZ-CD2 3.73Å; F975-F996 HydrophobicContact CZ-CD2 3.73Å; F975-F996 HydrophobicContact CZ-CE2 4.27Å; F975-F996 HydrophobicContact CZ-CG 4.06Å |
| 976 | K | 94.2 | Very high | 89.6 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | -20.9 | 176.1 | 66.3 | 177.3 | 176.4 | 178.1 | 0 | 115.4 | L944 I989 A990 R991 L1022 D1037 | L944-K976 VanDerWaalsContact CD1-C 3.49Å; K976-I989 HydrophobicContact CG-CG2 4.32Å; K976-I989 PolarHBondContact N-O 2.93Å; K976-A990 WeakPolarHBondContact CE-O 3.38Å; K976-R991 HydrophobicContact CB-CG 4.08Å; K976-L1022 WeakPolarHBondContact CE-O 3.34Å; K976-L1022 PolarHBondContact NZ-O 3.38Å; K976-D1037 IonicContact NZ-OD2 2.63Å |
| 977 | S | 96.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.6 | 167.6 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | D924 A988 I989 | D924-S977 WeakPolarHBondContact OD2-CA 3.21Å; D924-S977 WeakPolarHBondContact OD2-CB 3.44Å; D924-S977 PolarHBondContact OD2-OG 3.15Å; S977-A988 CarbonylContact O-C 3.55Å; S977-A988 WeakPolarHBondContact O-CA 3.45Å; S977-I989 PolarHBondContact N-O 2.91Å; S977-I989 PolarHBondContact O-N 2.87Å |
| 978 | I | 96.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143.2 | 178.9 | -166.2 | 158.8 | 0 | 0 | 0 | 111.4 | D924 W942 L944 V950 V986 A988 W1011 | D924-I978 PolarHBondContact OD2-N 3.11Å; W942-I978 HydrophobicContact CB-CD1 4.03Å; W942-I978 HydrophobicContact CB-CG1 4.29Å; W942-I978 HydrophobicContact CD2-CD1 4.37Å; W942-I978 HydrophobicContact CE3-CD1 3.71Å; L944-I978 HydrophobicContact CD1-CB 4.36Å; L944-I978 HydrophobicContact CD1-CG2 4.42Å; L944-I978 HydrophobicContact CD2-CB 4.11Å; L944-I978 HydrophobicContact CD2-CD1 4.22Å; L944-I978 HydrophobicContact CD2-CG2 4.18Å; L944-I978 HydrophobicContact CG-CB 4.04Å; L944-I978 HydrophobicContact CG-CG2 3.78Å; V950-I978 HydrophobicContact CG1-CD1 3.62Å; I978-V986 HydrophobicContact CD1-CG1 4.35Å; I978-V986 HydrophobicContact CG1-CG1 4.41Å; I978-A988 HydrophobicContact CB-CB 4.34Å; I978-A988 HydrophobicContact CD1-CB 4.33Å; I978-A988 HydrophobicContact CG1-CB 4.05Å; I978-W1011 HydrophobicContact CD1-CH2 4.47Å |
| 979 | S | 96.5 | Very high | 90 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143.7 | 174 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | W987 L1025 V1027 R1123 | S979-W987 PolarHBondContact N-O 2.69Å; S979-W987 PolarHBondContact O-N 3.07Å; S979-W987 VanDerWaalsContact O-O 3.12Å; S979-L1025 VanDerWaalsContact CB-CD1 3.43Å; S979-V1027 PolarHBondContact OG-N 3.22Å; S979-V1027 VanDerWaalsContact OG-N 3.14Å; S979-R1123 PolarHBondContact OG-NH2 2.81Å |
| 980 | I | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.6 | 173.2 | 178.2 | 162.3 | 0 | 0 | 0 | 109.8 | M928 P929 P940 Q985 V986 R1123 | M928-I980 HydrophobicContact CB-CD1 4.17Å; M928-I980 HydrophobicContact CB-CG1 4.07Å; M928-I980 HydrophobicContact CB-CG2 4.17Å; M928-I980 HydrophobicContact CG-CD1 4.33Å; M928-I980 HydrophobicContact CG-CG1 4.05Å; M928-I980 HydrophobicContact SD-CD1 4.08Å; M928-I980 HydrophobicContact SD-CG1 4.27Å; P929-I980 VanDerWaalsContact CD-O 3.3Å; P929-I980 WeakPolarHBondContact CD-O 3.27Å; P940-I980 HydrophobicContact CB-CD1 3.59Å; P940-I980 HydrophobicContact CG-CD1 4.46Å; I980-Q985 WeakPolarHBondContact CA-O 3.28Å; I980-V986 HydrophobicContact CB-CG2 4.05Å; I980-V986 HydrophobicContact CD1-CG2 3.72Å; I980-V986 HydrophobicContact CG1-CG2 3.93Å; I980-R1123 PolarHBondContact O-NH1 2.85Å |
| 981 | G | 87.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -108.1 | -170.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M928 Q985 V1027 G1028 | M928-G981 WeakPolarHBondContact CG-O 3.48Å; G981-Q985 PolarHBondContact N-O 2.87Å; G981-V1027 WeakPolarHBondContact CA-O 3.5Å; G981-G1028 CarbonylContact C-O 3.52Å; G981-G1028 WeakPolarHBondContact CA-O 3.46Å | ||
| 982 | G | 78.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 28 Ų | 28 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -55.9 | 157.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N984 Q985 G1028 | G982-N984 PolarHBondContact O-N 3.27Å; G982-Q985 WeakPolarHBondContact O-CG 3.49Å; G982-Q985 PolarHBondContact O-N 2.9Å; G982-Q985 PolarHBondContact O-NE2 2.82Å; G982-G1028 PolarHBondContact N-O 3.22Å |
| 983 | A | 73.1 | Confident | 90.4 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 22% | 0.215 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | 52.7 | 34.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | C50 Q985 | C50-A983 HydrophobicContact CB-CB 3.86Å; A983-Q985 PolarHBondContact O-N 3.35Å |
| 984 | N | 80.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 19.4 Ų | 19.4 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | 58.5 | 21.9 | -179.2 | -46.9 | -64.3 | 0 | 0 | 0 | 115.3 | G982 V986 V1001 | G982-N984 PolarHBondContact O-N 3.27Å; N984-V986 PolarHBondContact O-N 2.88Å; N984-V1001 HydrophobicContact CB-CB 4.13Å; N984-V1001 HydrophobicContact CB-CG1 4Å; N984-V1001 VanDerWaalsContact CB-O 3.28Å; N984-V1001 WeakPolarHBondContact CB-O 3.3Å |
| 985 | Q | 84.8 | Confident | 90.3 | Very high | 23 Ų | 23 | 16.8 Ų | 16.8 | 11% | 0.107 | 9% | 0.086 | C | C | . | . | trans | -70.1 | 103.4 | -176.5 | -69.3 | 173.1 | 97.3 | 0 | 0 | 111.3 | I980 G981 G982 A983 V1027 R1029 | I980-Q985 WeakPolarHBondContact CA-O 3.28Å; G981-Q985 PolarHBondContact N-O 2.87Å; G982-Q985 WeakPolarHBondContact O-CG 3.49Å; G982-Q985 PolarHBondContact O-N 2.9Å; G982-Q985 PolarHBondContact O-NE2 2.82Å; A983-Q985 PolarHBondContact O-N 3.35Å; Q985-V1027 HydrophobicContact CB-CG1 4.24Å; Q985-R1029 PolarHBondContact NE2-O 3.37Å | ||
| 986 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 128.2 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | W942 I978 I980 N984 Y997 R998 V1001 W1011 | W942-V986 HydrophobicContact CD2-CG1 4.13Å; W942-V986 HydrophobicContact CD2-CG2 4.1Å; W942-V986 HydrophobicContact CE3-CG1 4.17Å; W942-V986 HydrophobicContact CG-CG2 4.34Å; W942-V986 HydrophobicContact CZ2-CG2 3.9Å; W942-V986 HydrophobicContact CZ3-CG1 4.34Å; I978-V986 HydrophobicContact CD1-CG1 4.35Å; I978-V986 HydrophobicContact CG1-CG1 4.41Å; I980-V986 HydrophobicContact CB-CG2 4.05Å; I980-V986 HydrophobicContact CD1-CG2 3.72Å; I980-V986 HydrophobicContact CG1-CG2 3.93Å; N984-V986 PolarHBondContact O-N 2.88Å; V986-Y997 WeakPolarHBondContact O-CD2 3.28Å; V986-R998 HydrophobicContact CB-CB 4.05Å; V986-R998 HydrophobicContact CG1-CB 4.17Å; V986-R998 PolarHBondContact O-N 2.64Å; V986-V1001 HydrophobicContact CB-CG2 4.39Å; V986-V1001 HydrophobicContact CG2-CG1 4.23Å; V986-V1001 HydrophobicContact CG2-CG2 4.05Å; V986-W1011 HydrophobicContact CG1-CH2 4.37Å; V986-W1011 HydrophobicContact CG1-CZ3 4.42Å |
| 987 | W | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148 | 175 | -73.7 | 71.6 | 0 | 0 | 0 | 110.1 | S979 V995 F996 Y997 I1014 L1025 V1027 V1032 R1044 L1047 P1052 W1057 | S979-W987 PolarHBondContact N-O 2.69Å; S979-W987 PolarHBondContact O-N 3.07Å; S979-W987 VanDerWaalsContact O-O 3.12Å; W987-V995 HydrophobicContact CE3-CG1 3.67Å; W987-V995 HydrophobicContact CZ3-CG1 3.77Å; W987-F996 CarbonylContact C-O 3.52Å; W987-F996 WeakPolarHBondContact CA-O 3.15Å; W987-Y997 AromaticContact CD1-CD2 3.84Å; W987-Y997 HydrophobicContact CD2-CD2 4.38Å; W987-Y997 AromaticContact CE2-CD2 3.88Å; W987-Y997 HydrophobicContact CG-CD2 4.37Å; W987-Y997 HydrophobicContact CZ2-CD2 4.45Å; W987-Y997 AromaticContact NE1-CD2 3.5Å; W987-I1014 HydrophobicContact CH2-CG1 4.05Å; W987-I1014 HydrophobicContact CH2-CG2 4.18Å; W987-I1014 HydrophobicContact CZ3-CB 4.16Å; W987-I1014 HydrophobicContact CZ3-CG1 3.8Å; W987-I1014 HydrophobicContact CZ3-CG2 3.99Å; W987-L1025 HydrophobicContact CB-CD1 3.97Å; W987-L1025 HydrophobicContact CB-CD2 3.8Å; W987-L1025 HydrophobicContact CE3-CD2 4.37Å; W987-V1027 HydrophobicContact CB-CG2 3.72Å; W987-V1027 HydrophobicContact CG-CG2 3.75Å; W987-V1032 HydrophobicContact CD2-CG1 4.29Å; W987-V1032 HydrophobicContact CD2-CG2 4.3Å; W987-V1032 HydrophobicContact CE3-CG1 4.35Å; W987-V1032 HydrophobicContact CZ2-CG2 3.92Å; W987-R1044 HydrophobicContact CH2-CG 4.25Å; W987-L1047 HydrophobicContact CZ2-CD2 4.24Å; W987-P1052 WeakPolarHBondContact CZ2-O 3.44Å; W987-W1057 HydrophobicContact CZ3-CZ2 4.28Å |
| 988 | A | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F975 S977 I978 F996 W1011 | F975-A988 HydrophobicContact CD1-CB 3.4Å; F975-A988 HydrophobicContact CE1-CB 3.53Å; F975-A988 HydrophobicContact CG-CB 4.41Å; S977-A988 CarbonylContact O-C 3.55Å; S977-A988 WeakPolarHBondContact O-CA 3.45Å; I978-A988 HydrophobicContact CB-CB 4.34Å; I978-A988 HydrophobicContact CD1-CB 4.33Å; I978-A988 HydrophobicContact CG1-CB 4.05Å; A988-F996 PolarHBondContact N-O 3.34Å; A988-F996 PolarHBondContact O-N 2.83Å; A988-W1011 HydrophobicContact CB-CH2 3.89Å; A988-W1011 HydrophobicContact CB-CZ3 3.78Å |
| 989 | I | 95.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.3 | 176.3 | -56.5 | 165 | 0 | 0 | 0 | 109.3 | F975 K976 S977 A994 L1022 Q1024 L1025 | F975-I989 VanDerWaalsContact CD1-O 3.31Å; F975-I989 WeakPolarHBondContact CD1-O 3.46Å; K976-I989 HydrophobicContact CG-CG2 4.32Å; K976-I989 PolarHBondContact N-O 2.93Å; S977-I989 PolarHBondContact N-O 2.91Å; S977-I989 PolarHBondContact O-N 2.87Å; I989-A994 WeakPolarHBondContact CA-O 3.37Å; I989-L1022 HydrophobicContact CD1-CB 3.81Å; I989-L1022 HydrophobicContact CG1-CB 4.45Å; I989-L1022 HydrophobicContact CG2-CB 4.33Å; I989-Q1024 VanDerWaalsContact CD1-C 3.4Å; I989-L1025 HydrophobicContact CD1-CB 3.96Å; I989-L1025 HydrophobicContact CD1-CD2 3.96Å; I989-L1025 HydrophobicContact CD1-CG 3.7Å; I989-L1025 HydrophobicContact CG1-CD2 3.6Å; I989-L1025 HydrophobicContact CG1-CG 3.8Å |
| 990 | A | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 162.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q973 F975 K976 D992 G993 A994 F996 | Q973-A990 HydrophobicContact CG-CB 4.18Å; Q973-A990 VanDerWaalsContact NE2-CB 3.27Å; F975-A990 HydrophobicContact CD1-CB 4.29Å; F975-A990 HydrophobicContact CE1-CB 4.11Å; F975-A990 HydrophobicContact CZ-CB 4.32Å; K976-A990 WeakPolarHBondContact CE-O 3.38Å; A990-D992 WeakPolarHBondContact CB-OD1 3.45Å; A990-D992 PolarHBondContact O-N 2.78Å; A990-G993 PolarHBondContact O-N 3.21Å; A990-A994 HydrophobicContact CB-CB 4.49Å; A990-A994 PolarHBondContact N-O 2.87Å; A990-F996 HydrophobicContact CB-CD2 4.23Å; A990-F996 HydrophobicContact CB-CE2 3.77Å |
| 991 | R | 90.5 | Very high | 87.2 | Confident | 120 Ų | 120 | 16 Ų | 16 | 45% | 0.453 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.7 | -174.1 | -79.1 | -179.1 | -177.5 | -162.9 | -10.4 | 114.2 | D946 K947 P974 F975 K976 | D946-R991 PolarHBondContact O-NH2 2.87Å; K947-R991 VanDerWaalsContact C-CZ 3.49Å; K947-R991 PolarHBondContact O-NH1 2.93Å; K947-R991 VanDerWaalsContact O-NH1 3.13Å; K947-R991 PolarHBondContact O-NH2 3.18Å; K947-R991 VanDerWaalsContact O-NH2 3.15Å; P974-R991 HydrophobicContact CB-CG 4.5Å; P974-R991 HydrophobicContact CG-CG 4.44Å; P974-R991 WeakPolarHBondContact O-CG 3.35Å; P974-R991 PolarHBondContact O-N 2.84Å; F975-R991 PolarHBondContact O-NE 2.87Å; K976-R991 HydrophobicContact CB-CG 4.08Å |
| 992 | D | 86.6 | Confident | 86.7 | Confident | 82 Ų | 82 | 16.9 Ų | 16.9 | 44% | 0.439 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.2 | 171.9 | 61 | -8.9 | 0 | 0 | 0 | 114.1 | Q973 A990 A994 | Q973-D992 PolarHBondContact NE2-OD2 3.14Å; A990-D992 WeakPolarHBondContact CB-OD1 3.45Å; A990-D992 PolarHBondContact O-N 2.78Å; D992-A994 WeakPolarHBondContact OD1-CB 3.48Å; D992-A994 PolarHBondContact OD1-N 2.8Å; D992-A994 WeakPolarHBondContact OD2-CB 3.48Å |
| 993 | G | 86.6 | Confident | 86.5 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 100.4 | 5.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A990 S1016 | A990-G993 PolarHBondContact O-N 3.21Å; G993-S1016 PolarHBondContact O-OG 3.03Å |
| 994 | A | 89.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | trans | -73.2 | 144.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I989 A990 D992 F996 | I989-A994 WeakPolarHBondContact CA-O 3.37Å; A990-A994 HydrophobicContact CB-CB 4.49Å; A990-A994 PolarHBondContact N-O 2.87Å; D992-A994 WeakPolarHBondContact OD1-CB 3.48Å; D992-A994 PolarHBondContact OD1-N 2.8Å; D992-A994 WeakPolarHBondContact OD2-CB 3.48Å; A994-F996 HydrophobicContact CB-CE2 3.71Å; A994-F996 HydrophobicContact CB-CZ 4.24Å | ||
| 995 | V | 93.5 | Very high | 86.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 139.3 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | W987 I1014 L1022 L1025 W1057 | W987-V995 HydrophobicContact CE3-CG1 3.67Å; W987-V995 HydrophobicContact CZ3-CG1 3.77Å; V995-I1014 HydrophobicContact CB-CB 4.16Å; V995-I1014 HydrophobicContact CG1-CB 4.16Å; V995-I1014 PolarHBondContact O-N 2.86Å; V995-L1022 HydrophobicContact CG2-CD1 3.57Å; V995-L1022 HydrophobicContact CG2-CG 4.46Å; V995-L1025 HydrophobicContact CG1-CD2 4.29Å; V995-W1057 HydrophobicContact CG1-CZ2 4.36Å; V995-W1057 HydrophobicContact CG2-CZ2 4.42Å |
| 996 | F | 92.4 | Very high | 86.4 | Confident | 19 Ų | 19 | 27.7 Ų | 27.7 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.7 | 177.4 | -62.4 | -96.4 | 0 | 0 | 0 | 111.4 | F975 W987 A988 A990 A994 W1011 Y1012 H1013 | F975-F996 HydrophobicContact CE1-CB 4.19Å; F975-F996 AromaticContact CE1-CD2 3.67Å; F975-F996 HydrophobicContact CE1-CD2 3.67Å; F975-F996 HydrophobicContact CE1-CE2 4.46Å; F975-F996 HydrophobicContact CE1-CG 4.18Å; F975-F996 HydrophobicContact CZ-CB 4.33Å; F975-F996 AromaticContact CZ-CD2 3.73Å; F975-F996 HydrophobicContact CZ-CD2 3.73Å; F975-F996 HydrophobicContact CZ-CE2 4.27Å; F975-F996 HydrophobicContact CZ-CG 4.06Å; W987-F996 CarbonylContact C-O 3.52Å; W987-F996 WeakPolarHBondContact CA-O 3.15Å; A988-F996 PolarHBondContact N-O 3.34Å; A988-F996 PolarHBondContact O-N 2.83Å; A990-F996 HydrophobicContact CB-CD2 4.23Å; A990-F996 HydrophobicContact CB-CE2 3.77Å; A994-F996 HydrophobicContact CB-CE2 3.71Å; A994-F996 HydrophobicContact CB-CZ 4.24Å; F996-W1011 HydrophobicContact CB-CB 4.45Å; F996-W1011 HydrophobicContact CB-CD2 4.43Å; F996-W1011 HydrophobicContact CB-CE3 3.72Å; F996-W1011 HydrophobicContact CB-CZ3 4.33Å; F996-W1011 HydrophobicContact CD1-CB 4.1Å; F996-Y1012 VanDerWaalsContact CA-O 3.3Å; F996-Y1012 WeakPolarHBondContact CA-O 3.5Å; F996-H1013 HydrophobicContact CD1-CB 4.19Å; F996-H1013 HydrophobicContact CE1-CB 3.88Å; F996-H1013 AromaticContact CE1-CD2 3.99Å; F996-H1013 AromaticContact CZ-CD2 3.81Å |
| 997 | Y | 91.3 | Very high | 85.9 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 143.4 | 167.6 | 164.9 | -110 | 0 | 0 | 0 | 109 | V986 W987 W1011 Y1012 P1052 Q1053 | V986-Y997 WeakPolarHBondContact O-CD2 3.28Å; W987-Y997 AromaticContact CD1-CD2 3.84Å; W987-Y997 HydrophobicContact CD2-CD2 4.38Å; W987-Y997 AromaticContact CE2-CD2 3.88Å; W987-Y997 HydrophobicContact CG-CD2 4.37Å; W987-Y997 HydrophobicContact CZ2-CD2 4.45Å; W987-Y997 AromaticContact NE1-CD2 3.5Å; Y997-W1011 WeakPolarHBondContact O-CA 3.41Å; Y997-Y1012 AromaticContact CD1-CD2 3.88Å; Y997-Y1012 HydrophobicContact CD1-CD2 3.88Å; Y997-Y1012 HydrophobicContact CE1-CD2 4.26Å; Y997-Y1012 PolarHBondContact N-O 3.32Å; Y997-Y1012 PolarHBondContact O-N 3.1Å; Y997-P1052 HydrophobicContact CE1-CG 4.17Å; Y997-P1052 HydrophobicContact CE2-CB 4.44Å; Y997-P1052 WeakPolarHBondContact OH-CG 3.47Å; Y997-Q1053 HydrophobicContact CD1-CG 3.82Å; Y997-Q1053 HydrophobicContact CE1-CG 4.26Å |
| 998 | R | 88.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126.5 | -179.1 | -162.7 | 164.1 | 174.2 | 63.9 | 12.1 | 112.5 | V969 V986 V1001 A1007 G1008 E1009 C1010 W1011 | V969-R998 VanDerWaalsContact CG1-CZ 3.49Å; V986-R998 HydrophobicContact CB-CB 4.05Å; V986-R998 HydrophobicContact CG1-CB 4.17Å; V986-R998 PolarHBondContact O-N 2.64Å; R998-V1001 HydrophobicContact CB-CG2 4.4Å; R998-V1001 HydrophobicContact CG-CG2 4.17Å; R998-A1007 PolarHBondContact NE-O 2.85Å; R998-A1007 PolarHBondContact NH2-O 3.28Å; R998-G1008 VanDerWaalsContact NH2-C 3.28Å; R998-G1008 PolarHBondContact NH2-O 3.45Å; R998-E1009 VanDerWaalsContact CZ-O 3.31Å; R998-E1009 PolarHBondContact NH1-O 2.82Å; R998-E1009 VanDerWaalsContact NH1-O 3.07Å; R998-E1009 VanDerWaalsContact NH2-C 3.27Å; R998-E1009 PolarHBondContact NH2-O 3.09Å; R998-C1010 WeakPolarHBondContact CG-O 3.11Å; R998-W1011 HydrophobicContact CB-CD2 4.25Å; R998-W1011 HydrophobicContact CB-CE3 3.66Å; R998-W1011 HydrophobicContact CB-CH2 4.36Å; R998-W1011 HydrophobicContact CB-CZ3 3.74Å; R998-W1011 HydrophobicContact CG-CD2 4.16Å; R998-W1011 HydrophobicContact CG-CE3 4.08Å; R998-W1011 HydrophobicContact CG-CZ3 4.33Å; R998-W1011 VanDerWaalsContact NH1-CD1 3.26Å; R998-W1011 VanDerWaalsContact NH1-NE1 3.18Å |
| 999 | G | 78.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -83.7 | 166.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1001 G1008 E1009 C1010 | G999-V1001 PolarHBondContact O-N 2.89Å; G999-G1008 WeakPolarHBondContact O-CA 3.48Å; G999-E1009 PolarHBondContact O-N 3.32Å; G999-C1010 PolarHBondContact N-O 3.32Å | ||
| 1000 | S | 74.4 | Confident | 84 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | trans | 64.9 | 8.6 | 166.5 | -41.7 | 0 | 0 | 0 | 0 | 117.3 | P188 S1002 E1009 | P188-S1000 VanDerWaalsContact CD-CB 3.45Å; P188-S1000 WeakPolarHBondContact CD-OG 3.02Å; S1000-S1002 PolarHBondContact O-N 2.87Å; S1000-E1009 VanDerWaalsContact CB-OE2 3.3Å; S1000-E1009 WeakPolarHBondContact CB-OE2 3.46Å; S1000-E1009 PolarHBondContact OG-OE2 3.2Å | ||
| 1001 | V | 82.1 | Confident | 83.7 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | trans | -69.5 | 121.3 | 178.6 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | W942 N984 V986 R998 G999 | W942-V1001 HydrophobicContact CZ2-CG1 4.04Å; W942-V1001 HydrophobicContact CZ2-CG2 4.15Å; N984-V1001 HydrophobicContact CB-CB 4.13Å; N984-V1001 HydrophobicContact CB-CG1 4Å; N984-V1001 VanDerWaalsContact CB-O 3.28Å; N984-V1001 WeakPolarHBondContact CB-O 3.3Å; V986-V1001 HydrophobicContact CB-CG2 4.39Å; V986-V1001 HydrophobicContact CG2-CG1 4.23Å; V986-V1001 HydrophobicContact CG2-CG2 4.05Å; R998-V1001 HydrophobicContact CB-CG2 4.4Å; R998-V1001 HydrophobicContact CG-CG2 4.17Å; G999-V1001 PolarHBondContact O-N 2.89Å | ||
| 1002 | S | 76.5 | Confident | 83.5 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 13% | 0.126 | 18% | 0.183 | C | C | . | . | trans | -150.7 | 167.4 | -178.1 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | S1000 Q1004 N1005 P1006 | S1000-S1002 PolarHBondContact O-N 2.87Å; S1002-Q1004 PolarHBondContact O-N 2.91Å; S1002-N1005 PolarHBondContact N-O 2.7Å; S1002-N1005 CarbonylContact O-C 3.59Å; S1002-N1005 PolarHBondContact O-N 3.3Å; S1002-N1005 VanDerWaalsContact O-O 3.07Å; S1002-N1005 PolarHBondContact OG-N 3.37Å; S1002-P1006 VanDerWaalsContact O-CA 3.23Å; S1002-P1006 WeakPolarHBondContact O-CA 3.31Å | ||
| 1003 | P | 74.3 | Confident | 83.6 | Confident | 82 Ų | 82 | 35.1 Ų | 35.1 | 53% | 0.532 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -59 | -26.7 | 173.3 | -25.2 | 35.7 | 0 | 0 | 0 | 113.8 | ||
| 1004 | Q | 73.7 | Confident | 83.7 | Confident | 126 Ų | 126 | 35 Ų | 35 | 59% | 0.589 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -85.2 | -36.4 | 178.1 | -66.2 | 72.8 | 19.1 | 0 | 0 | 112.3 | S1002 | S1002-Q1004 PolarHBondContact O-N 2.91Š|
| 1005 | N | 79.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 27% | 0.267 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -119.6 | 80.3 | 169.6 | -176.6 | 5.2 | 0 | 0 | 0 | 110.2 | S1002 A1007 G1008 | S1002-N1005 PolarHBondContact N-O 2.7Å; S1002-N1005 CarbonylContact O-C 3.59Å; S1002-N1005 PolarHBondContact O-N 3.3Å; S1002-N1005 VanDerWaalsContact O-O 3.07Å; S1002-N1005 PolarHBondContact OG-N 3.37Å; N1005-A1007 PolarHBondContact O-N 3.09Å; N1005-A1007 PolarHBondContact OD1-N 3.22Å; N1005-G1008 PolarHBondContact ND2-O 2.92Å; N1005-G1008 PolarHBondContact O-N 3.47Å; N1005-G1008 PolarHBondContact OD1-N 2.77Å; N1005-G1008 PolarHBondContact OD1-O 3.16Å |
| 1006 | P | 82.5 | Confident | 83.1 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 25% | 0.253 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.1 | -176.3 | 26.9 | -35.4 | 0 | 0 | 0 | 113.2 | W942 C952 L954 S1002 | W942-P1006 VanDerWaalsContact CZ2-O 3.25Å; W942-P1006 WeakPolarHBondContact CZ2-O 3.36Å; C952-P1006 PolarHBondContact SG-O 3.15Å; L954-P1006 HydrophobicContact CD2-CB 4.07Å; L954-P1006 HydrophobicContact CD2-CG 3.69Å; S1002-P1006 VanDerWaalsContact O-CA 3.23Å; S1002-P1006 WeakPolarHBondContact O-CA 3.31Å |
| 1007 | A | 84.3 | Confident | 82.9 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -18.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L967 V969 R998 N1005 | L967-A1007 HydrophobicContact CD2-CB 3.89Å; V969-A1007 HydrophobicContact CG2-CB 4.28Å; R998-A1007 PolarHBondContact NE-O 2.85Å; R998-A1007 PolarHBondContact NH2-O 3.28Å; N1005-A1007 PolarHBondContact O-N 3.09Å; N1005-A1007 PolarHBondContact OD1-N 3.22Å |
| 1008 | G | 84.3 | Confident | 82.3 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | trans | 58.5 | -165.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R998 G999 N1005 | R998-G1008 VanDerWaalsContact NH2-C 3.28Å; R998-G1008 PolarHBondContact NH2-O 3.45Å; G999-G1008 WeakPolarHBondContact O-CA 3.48Å; N1005-G1008 PolarHBondContact ND2-O 2.92Å; N1005-G1008 PolarHBondContact O-N 3.47Å; N1005-G1008 PolarHBondContact OD1-N 2.77Å; N1005-G1008 PolarHBondContact OD1-O 3.16Å | ||
| 1009 | E | 78.9 | Confident | 82 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -117.1 | -75.5 | -174 | -68.3 | 174.5 | 151.3 | 0 | 0 | 112.2 | Q215 R998 G999 S1000 | Q215-E1009 PolarHBondContact NE2-OE2 3.36Å; R998-E1009 VanDerWaalsContact CZ-O 3.31Å; R998-E1009 PolarHBondContact NH1-O 2.82Å; R998-E1009 VanDerWaalsContact NH1-O 3.07Å; R998-E1009 VanDerWaalsContact NH2-C 3.27Å; R998-E1009 PolarHBondContact NH2-O 3.09Å; G999-E1009 PolarHBondContact O-N 3.32Å; S1000-E1009 VanDerWaalsContact CB-OE2 3.3Å; S1000-E1009 WeakPolarHBondContact CB-OE2 3.46Å; S1000-E1009 PolarHBondContact OG-OE2 3.2Å |
| 1010 | C | 82.4 | Confident | 82.4 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 31% | 0.311 | 30% | 0.304 | S | S | . | . | trans | -118.1 | 157.6 | -169.9 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | R998 G999 Y1012 | R998-C1010 WeakPolarHBondContact CG-O 3.11Å; G999-C1010 PolarHBondContact N-O 3.32Å; C1010-Y1012 VanDerWaalsContact SG-CE2 3.58Å; C1010-Y1012 PolarHBondContact SG-OH 3.18Å; C1010-Y1012 VanDerWaalsContact SG-OH 3.36Å | ||
| 1011 | W | 88.1 | Confident | 83.1 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 133.3 | 171 | -64.4 | 103.5 | 0 | 0 | 0 | 109.6 | V950 V969 G970 T971 I978 V986 A988 F996 Y997 R998 | V950-W1011 HydrophobicContact CB-CZ2 4.33Å; V950-W1011 HydrophobicContact CG1-CH2 4.32Å; V950-W1011 HydrophobicContact CG1-CZ2 4.02Å; V950-W1011 HydrophobicContact CG2-CH2 4.46Å; V950-W1011 HydrophobicContact CG2-CZ2 4.01Å; V969-W1011 HydrophobicContact CG1-CZ2 4.34Å; G970-W1011 PolarHBondContact O-NE1 2.63Å; T971-W1011 HydrophobicContact CG2-CZ2 4.23Å; I978-W1011 HydrophobicContact CD1-CH2 4.47Å; V986-W1011 HydrophobicContact CG1-CH2 4.37Å; V986-W1011 HydrophobicContact CG1-CZ3 4.42Å; A988-W1011 HydrophobicContact CB-CH2 3.89Å; A988-W1011 HydrophobicContact CB-CZ3 3.78Å; F996-W1011 HydrophobicContact CB-CB 4.45Å; F996-W1011 HydrophobicContact CB-CD2 4.43Å; F996-W1011 HydrophobicContact CB-CE3 3.72Å; F996-W1011 HydrophobicContact CB-CZ3 4.33Å; F996-W1011 HydrophobicContact CD1-CB 4.1Å; Y997-W1011 WeakPolarHBondContact O-CA 3.41Å; R998-W1011 HydrophobicContact CB-CD2 4.25Å; R998-W1011 HydrophobicContact CB-CE3 3.66Å; R998-W1011 HydrophobicContact CB-CH2 4.36Å; R998-W1011 HydrophobicContact CB-CZ3 3.74Å; R998-W1011 HydrophobicContact CG-CD2 4.16Å; R998-W1011 HydrophobicContact CG-CE3 4.08Å; R998-W1011 HydrophobicContact CG-CZ3 4.33Å; R998-W1011 VanDerWaalsContact NH1-CD1 3.26Å; R998-W1011 VanDerWaalsContact NH1-NE1 3.18Å |
| 1012 | Y | 86 | Confident | 83.6 | Confident | 37 Ų | 37 | 62 Ų | 62 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.1 | 172.8 | -60.3 | -84.8 | 0 | 0 | 0 | 108.9 | Q214 W259 F996 Y997 C1010 | Q214-Y1012 HydrophobicContact CG-CE2 4.48Å; Q214-Y1012 WeakPolarHBondContact CG-OH 3.41Å; Q214-Y1012 PolarHBondContact O-OH 2.85Å; Q214-Y1012 VanDerWaalsContact O-OH 3.06Å; W259-Y1012 HydrophobicContact CH2-CD1 4.43Å; W259-Y1012 AromaticContact CH2-CE1 3.64Å; W259-Y1012 HydrophobicContact CH2-CE1 3.64Å; W259-Y1012 HydrophobicContact CZ3-CD1 4.26Å; W259-Y1012 AromaticContact CZ3-CE1 3.86Å; W259-Y1012 HydrophobicContact CZ3-CE1 3.86Å; F996-Y1012 VanDerWaalsContact CA-O 3.3Å; F996-Y1012 WeakPolarHBondContact CA-O 3.5Å; Y997-Y1012 AromaticContact CD1-CD2 3.88Å; Y997-Y1012 HydrophobicContact CD1-CD2 3.88Å; Y997-Y1012 HydrophobicContact CE1-CD2 4.26Å; Y997-Y1012 PolarHBondContact N-O 3.32Å; Y997-Y1012 PolarHBondContact O-N 3.1Å; C1010-Y1012 VanDerWaalsContact SG-CE2 3.58Å; C1010-Y1012 PolarHBondContact SG-OH 3.18Å; C1010-Y1012 VanDerWaalsContact SG-OH 3.36Å |
| 1013 | H | 88.4 | Confident | 84.4 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 125.2 | 175.4 | 175.9 | -98.1 | 0 | 0 | 0 | 110.6 | F996 | F996-H1013 HydrophobicContact CD1-CB 4.19Å; F996-H1013 HydrophobicContact CE1-CB 3.88Å; F996-H1013 AromaticContact CE1-CD2 3.99Å; F996-H1013 AromaticContact CZ-CD2 3.81Å |
| 1014 | I | 89.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.7 | 178.5 | -54.1 | -59.2 | 0 | 0 | 0 | 108.5 | W987 V995 S1016 Q1053 | W987-I1014 HydrophobicContact CH2-CG1 4.05Å; W987-I1014 HydrophobicContact CH2-CG2 4.18Å; W987-I1014 HydrophobicContact CZ3-CB 4.16Å; W987-I1014 HydrophobicContact CZ3-CG1 3.8Å; W987-I1014 HydrophobicContact CZ3-CG2 3.99Å; V995-I1014 HydrophobicContact CB-CB 4.16Å; V995-I1014 HydrophobicContact CG1-CB 4.16Å; V995-I1014 PolarHBondContact O-N 2.86Å; I1014-S1016 PolarHBondContact O-N 3.09Å; I1014-Q1053 HydrophobicContact CD1-CB 3.91Å; I1014-Q1053 HydrophobicContact CD1-CG 3.91Å |
| 1015 | P | 84.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 122.6 | 179.2 | -26.4 | 34.8 | 0 | 0 | 0 | 112.6 | W1057 | P1015-W1057 PolarHBondContact O-NE1 2.88Š|
| 1016 | S | 85.1 | Confident | 87.2 | Confident | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 158.1 | 172.5 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | G993 I1014 | G993-S1016 PolarHBondContact O-OG 3.03Å; I1014-S1016 PolarHBondContact O-N 3.09Å |
| 1017 | P | 87.2 | Confident | 87.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 145.8 | 176.5 | -18.6 | 29.5 | 0 | 0 | 0 | 112.3 | R1019 Q1020 L1022 W1042 W1057 | P1017-R1019 PolarHBondContact O-N 2.95Å; P1017-R1019 VanDerWaalsContact O-N 3.11Å; P1017-Q1020 HydrophobicContact CB-CB 4.24Å; P1017-Q1020 HydrophobicContact CB-CG 4.47Å; P1017-Q1020 PolarHBondContact O-N 2.88Å; P1017-Q1020 VanDerWaalsContact O-N 3.15Å; P1017-L1022 HydrophobicContact CG-CD1 4.43Å; P1017-L1022 HydrophobicContact CG-CD2 4.02Å; P1017-L1022 HydrophobicContact CG-CG 4.44Å; P1017-W1042 HydrophobicContact CB-CD2 4.07Å; P1017-W1042 HydrophobicContact CB-CE3 3.97Å; P1017-W1042 HydrophobicContact CB-CH2 4.09Å; P1017-W1042 HydrophobicContact CB-CZ2 4.18Å; P1017-W1042 HydrophobicContact CB-CZ3 3.97Å; P1017-W1042 HydrophobicContact CG-CD2 3.87Å; P1017-W1042 HydrophobicContact CG-CE3 4.03Å; P1017-W1042 HydrophobicContact CG-CG 4.17Å; P1017-W1057 HydrophobicContact CB-CB 4.32Å; P1017-W1057 HydrophobicContact CG-CB 3.89Å; P1017-W1057 HydrophobicContact CG-CD2 4.27Å; P1017-W1057 HydrophobicContact CG-CG 3.8Å |
| 1018 | P | 78.9 | Confident | 88 | Confident | 115 Ų | 115 | 53.3 Ų | 53.3 | 75% | 0.747 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 118.3 | -173.4 | -26.9 | 35.5 | 0 | 0 | 0 | 113.5 | Q1020 | P1018-Q1020 VanDerWaalsContact C-N 3.27Å; P1018-Q1020 PolarHBondContact O-N 2.89Å |
| 1019 | R | 82.4 | Confident | 87.9 | Confident | 250 Ų | 250 | 54.2 Ų | 54.2 | 94% | 0.943 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 21.4 | 178.9 | -48.8 | 177.9 | -178.5 | 169.7 | 1 | 115.2 | P1017 | P1017-R1019 PolarHBondContact O-N 2.95Å; P1017-R1019 VanDerWaalsContact O-N 3.11Å |
| 1020 | Q | 87.4 | Confident | 88 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | trans | -116.7 | 139.4 | 175.1 | -58.9 | -62.3 | -12.2 | 0 | 0 | 111.9 | P1017 P1018 D1036 N1038 W1042 | P1017-Q1020 HydrophobicContact CB-CB 4.24Å; P1017-Q1020 HydrophobicContact CB-CG 4.47Å; P1017-Q1020 PolarHBondContact O-N 2.88Å; P1017-Q1020 VanDerWaalsContact O-N 3.15Å; P1018-Q1020 VanDerWaalsContact C-N 3.27Å; P1018-Q1020 PolarHBondContact O-N 2.89Å; Q1020-D1036 HydrophobicContact CB-CB 4.4Å; Q1020-D1036 PolarHBondContact OE1-OD2 3.24Å; Q1020-N1038 PolarHBondContact OE1-ND2 2.72Å; Q1020-W1042 HydrophobicContact CG-CZ2 3.85Å | ||
| 1021 | N | 89.6 | Confident | 88.3 | Confident | 91 Ų | 91 | 50.3 Ų | 50.3 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | trans | -98.3 | 115 | 173.1 | -68.1 | -10.2 | 0 | 0 | 0 | 108.9 | D1036 D1037 | N1021-D1036 WeakPolarHBondContact O-CA 3.23Å; N1021-D1036 WeakPolarHBondContact O-CB 3.47Å; N1021-D1037 WeakPolarHBondContact CB-OD2 3.3Å; N1021-D1037 PolarHBondContact O-N 3Å | ||
| 1022 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 143.9 | 176.2 | -60.8 | -172.4 | 0 | 0 | 0 | 110.7 | K976 I989 V995 P1017 A1034 D1036 W1042 W1057 | K976-L1022 WeakPolarHBondContact CE-O 3.34Å; K976-L1022 PolarHBondContact NZ-O 3.38Å; I989-L1022 HydrophobicContact CD1-CB 3.81Å; I989-L1022 HydrophobicContact CG1-CB 4.45Å; I989-L1022 HydrophobicContact CG2-CB 4.33Å; V995-L1022 HydrophobicContact CG2-CD1 3.57Å; V995-L1022 HydrophobicContact CG2-CG 4.46Å; P1017-L1022 HydrophobicContact CG-CD1 4.43Å; P1017-L1022 HydrophobicContact CG-CD2 4.02Å; P1017-L1022 HydrophobicContact CG-CG 4.44Å; L1022-A1034 HydrophobicContact CD1-CB 3.76Å; L1022-A1034 HydrophobicContact CD2-CB 4.29Å; L1022-D1036 HydrophobicContact CD2-CB 3.85Å; L1022-W1042 HydrophobicContact CD2-CG 4.48Å; L1022-W1057 HydrophobicContact CD1-CH2 4.36Å; L1022-W1057 HydrophobicContact CD1-CZ2 4.16Å |
| 1023 | R | 92.2 | Very high | 89 | Confident | 128 Ų | 128 | 46.3 Ų | 46.3 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -43.9 | -174.3 | -173.2 | 178.7 | 170.2 | -161.7 | -2.8 | 112.8 | V1035 D1037 | R1023-V1035 WeakPolarHBondContact CA-O 3.36Å; R1023-V1035 WeakPolarHBondContact CB-O 3.28Å; R1023-V1035 PolarHBondContact N-O 2.96Å; R1023-D1037 VanDerWaalsContact CB-OD1 3.31Å; R1023-D1037 WeakPolarHBondContact CB-OD1 3.46Å; R1023-D1037 WeakPolarHBondContact CD-OD1 3.13Å; R1023-D1037 WeakPolarHBondContact CG-OD1 3.11Å |
| 1024 | Q | 95.2 | Very high | 89.3 | Confident | 17 Ų | 17 | 41 Ų | 41 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.1 | -179.7 | -165.9 | -133.5 | -39.3 | 0 | 0 | 109.5 | I989 A1034 V1035 K1066 V1067 | I989-Q1024 VanDerWaalsContact CD1-C 3.4Å; Q1024-A1034 CarbonylContact O-C 3.53Å; Q1024-A1034 VanDerWaalsContact O-CA 3.3Å; Q1024-A1034 WeakPolarHBondContact O-CA 3.41Å; Q1024-V1035 PolarHBondContact N-O 2.85Å; Q1024-V1035 PolarHBondContact O-N 2.87Å; Q1024-K1066 HydrophobicContact CG-CD 4.49Å; Q1024-V1067 PolarHBondContact NE2-O 3.44Å |
| 1025 | L | 95.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 165.3 | 165.2 | 52.8 | 66.7 | 0 | 0 | 0 | 112 | S979 W987 I989 V995 F1033 A1034 | S979-L1025 VanDerWaalsContact CB-CD1 3.43Å; W987-L1025 HydrophobicContact CB-CD1 3.97Å; W987-L1025 HydrophobicContact CB-CD2 3.8Å; W987-L1025 HydrophobicContact CE3-CD2 4.37Å; I989-L1025 HydrophobicContact CD1-CB 3.96Å; I989-L1025 HydrophobicContact CD1-CD2 3.96Å; I989-L1025 HydrophobicContact CD1-CG 3.7Å; I989-L1025 HydrophobicContact CG1-CD2 3.6Å; I989-L1025 HydrophobicContact CG1-CG 3.8Å; V995-L1025 HydrophobicContact CG1-CD2 4.29Å; L1025-F1033 CarbonylContact C-O 3.51Å; L1025-F1033 VanDerWaalsContact CA-O 3.29Å; L1025-F1033 WeakPolarHBondContact CA-O 3.31Å; L1025-F1033 WeakPolarHBondContact CB-O 3.33Å; L1025-A1034 HydrophobicContact CB-CB 3.98Å |
| 1026 | S | 95.9 | Very high | 90 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.2 | 172.2 | -155.4 | 0 | 0 | 0 | 0 | 109.6 | F1033 V1069 R1123 | S1026-F1033 PolarHBondContact N-O 2.61Å; S1026-F1033 PolarHBondContact O-N 3.04Å; S1026-V1069 PolarHBondContact OG-N 2.94Å; S1026-R1123 PolarHBondContact OG-NH2 3.38Å |
| 1027 | V | 93.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.2 | -178.3 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | S979 G981 Q985 W987 V1032 R1123 | S979-V1027 PolarHBondContact OG-N 3.22Å; S979-V1027 VanDerWaalsContact OG-N 3.14Å; G981-V1027 WeakPolarHBondContact CA-O 3.5Å; Q985-V1027 HydrophobicContact CB-CG1 4.24Å; W987-V1027 HydrophobicContact CB-CG2 3.72Å; W987-V1027 HydrophobicContact CG-CG2 3.75Å; V1027-V1032 HydrophobicContact CG1-CG2 4.02Å; V1027-V1032 HydrophobicContact CG2-CG2 4.29Å; V1027-R1123 PolarHBondContact O-NH2 3.17Å |
| 1028 | G | 89.4 | Confident | 90.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -81.2 | -135.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G981 G982 S1031 D1073 | G981-G1028 CarbonylContact C-O 3.52Å; G981-G1028 WeakPolarHBondContact CA-O 3.46Å; G982-G1028 PolarHBondContact N-O 3.22Å; G1028-S1031 PolarHBondContact N-O 3.15Å; G1028-D1073 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 1029 | R | 82.4 | Confident | 91 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -96 | -43.4 | 172.1 | -178.3 | -179 | -178.9 | -162.2 | 0.8 | 111.2 | Y12 E34 Q985 P1071 D1073 | Y12-R1029 VanDerWaalsContact CD1-NH1 3.26Å; Y12-R1029 PolarHBondContact O-NH2 3.49Å; E34-R1029 IonicContact OE1-CZ 3.09Å; E34-R1029 IonicContact OE1-NE 3.18Å; E34-R1029 PolarHBondContact OE1-NE 3.22Å; E34-R1029 IonicContact OE1-NH2 2.7Å; E34-R1029 PolarHBondContact OE1-NH2 2.86Å; Q985-R1029 PolarHBondContact NE2-O 3.37Å; R1029-P1071 WeakPolarHBondContact CD-O 3.39Å; R1029-D1073 WeakPolarHBondContact CB-OD2 3.38Å; R1029-D1073 PolarHBondContact N-OD1 2.73Å |
| 1030 | T | 80.4 | Confident | 91.5 | Very high | 49 Ų | 49 | 29 Ų | 29 | 30% | 0.301 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -123.4 | -9.5 | 179.2 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | V11 L1047 D1073 | V11-T1030 WeakPolarHBondContact O-CG2 3.46Å; T1030-L1047 WeakPolarHBondContact O-CD1 3.29Å; T1030-D1073 WeakPolarHBondContact CB-OD2 3.27Å; T1030-D1073 VanDerWaalsContact N-CG 3.31Å; T1030-D1073 PolarHBondContact N-OD1 3.17Å; T1030-D1073 PolarHBondContact N-OD2 3.23Å; T1030-D1073 VanDerWaalsContact OG1-CG 3.3Å; T1030-D1073 PolarHBondContact OG1-OD2 2.92Å |
| 1031 | S | 88.6 | Confident | 91.9 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | trans | -114.2 | 152.5 | -175.7 | 67 | 0 | 0 | 0 | 0 | 113.9 | G1028 D1073 | G1028-S1031 PolarHBondContact N-O 3.15Å; S1031-D1073 WeakPolarHBondContact CB-OD1 3.46Å; S1031-D1073 PolarHBondContact N-OD1 3.39Å; S1031-D1073 PolarHBondContact OG-OD1 2.98Å | ||
| 1032 | V | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.8 | 168.8 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | W987 V1027 R1044 L1047 W1057 | W987-V1032 HydrophobicContact CD2-CG1 4.29Å; W987-V1032 HydrophobicContact CD2-CG2 4.3Å; W987-V1032 HydrophobicContact CE3-CG1 4.35Å; W987-V1032 HydrophobicContact CZ2-CG2 3.92Å; V1027-V1032 HydrophobicContact CG1-CG2 4.02Å; V1027-V1032 HydrophobicContact CG2-CG2 4.29Å; V1032-R1044 HydrophobicContact CB-CB 3.92Å; V1032-R1044 HydrophobicContact CG1-CB 4.46Å; V1032-R1044 PolarHBondContact O-N 2.99Å; V1032-L1047 HydrophobicContact CB-CD1 3.93Å; V1032-L1047 HydrophobicContact CG2-CD1 3.71Å; V1032-L1047 HydrophobicContact CG2-CD2 4.25Å; V1032-L1047 VanDerWaalsContact N-CD1 3.34Å; V1032-W1057 HydrophobicContact CG1-CH2 4.11Å |
| 1033 | F | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.5 | 173.3 | -73.2 | -93.8 | 0 | 0 | 0 | 110.4 | L1025 S1026 L1041 W1042 Y1043 I1060 V1067 V1069 V1075 | L1025-F1033 CarbonylContact C-O 3.51Å; L1025-F1033 VanDerWaalsContact CA-O 3.29Å; L1025-F1033 WeakPolarHBondContact CA-O 3.31Å; L1025-F1033 WeakPolarHBondContact CB-O 3.33Å; S1026-F1033 PolarHBondContact N-O 2.61Å; S1026-F1033 PolarHBondContact O-N 3.04Å; F1033-L1041 HydrophobicContact CB-CD1 4.17Å; F1033-L1041 HydrophobicContact CD1-CD1 4.04Å; F1033-L1041 HydrophobicContact CD1-CD2 4.28Å; F1033-L1041 HydrophobicContact CD1-CG 4.16Å; F1033-W1042 CarbonylContact C-O 3.59Å; F1033-W1042 WeakPolarHBondContact CA-O 3.44Å; F1033-Y1043 HydrophobicContact CD1-CD2 4.32Å; F1033-Y1043 HydrophobicContact CD2-CD2 4.38Å; F1033-Y1043 AromaticContact CE1-CD2 3.83Å; F1033-Y1043 HydrophobicContact CE1-CD2 3.83Å; F1033-Y1043 HydrophobicContact CE1-CG 4.19Å; F1033-Y1043 AromaticContact CE2-CD2 3.88Å; F1033-Y1043 HydrophobicContact CE2-CD2 3.88Å; F1033-Y1043 HydrophobicContact CE2-CE2 4.34Å; F1033-Y1043 AromaticContact CZ-CD2 3.58Å; F1033-Y1043 HydrophobicContact CZ-CD2 3.58Å; F1033-Y1043 HydrophobicContact CZ-CE2 4.26Å; F1033-Y1043 HydrophobicContact CZ-CG 4.31Å; F1033-I1060 HydrophobicContact CE1-CG1 4.41Å; F1033-V1067 HydrophobicContact CB-CG2 4.01Å; F1033-V1069 HydrophobicContact CB-CG2 4.15Å; F1033-V1069 HydrophobicContact CD2-CG2 3.74Å; F1033-V1069 HydrophobicContact CG-CG2 4.3Å; F1033-V1075 HydrophobicContact CD2-CG2 3.99Å; F1033-V1075 HydrophobicContact CE1-CG2 4.43Å; F1033-V1075 HydrophobicContact CE2-CG2 3.45Å; F1033-V1075 VanDerWaalsContact CE2-CG2 3.45Å; F1033-V1075 HydrophobicContact CZ-CG2 3.71Å |
| 1034 | A | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1022 Q1024 L1025 L1041 W1042 W1057 | L1022-A1034 HydrophobicContact CD1-CB 3.76Å; L1022-A1034 HydrophobicContact CD2-CB 4.29Å; Q1024-A1034 CarbonylContact O-C 3.53Å; Q1024-A1034 VanDerWaalsContact O-CA 3.3Å; Q1024-A1034 WeakPolarHBondContact O-CA 3.41Å; L1025-A1034 HydrophobicContact CB-CB 3.98Å; A1034-L1041 WeakPolarHBondContact O-CA 3.17Å; A1034-W1042 PolarHBondContact N-O 3.12Å; A1034-W1042 PolarHBondContact O-N 3.11Å; A1034-W1057 HydrophobicContact CB-CH2 3.98Å; A1034-W1057 HydrophobicContact CB-CZ3 3.93Å |
| 1035 | V | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.8 | 178 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | R1023 Q1024 N1040 L1041 V1064 V1067 | R1023-V1035 WeakPolarHBondContact CA-O 3.36Å; R1023-V1035 WeakPolarHBondContact CB-O 3.28Å; R1023-V1035 PolarHBondContact N-O 2.96Å; Q1024-V1035 PolarHBondContact N-O 2.85Å; Q1024-V1035 PolarHBondContact O-N 2.87Å; V1035-N1040 CarbonylContact C-O 3.59Å; V1035-N1040 VanDerWaalsContact CA-O 3.28Å; V1035-N1040 WeakPolarHBondContact CA-O 3.32Å; V1035-L1041 HydrophobicContact CG2-CD1 3.98Å; V1035-V1064 HydrophobicContact CG1-CG1 4.4Å; V1035-V1064 VanDerWaalsContact CG1-O 3.24Å; V1035-V1064 WeakPolarHBondContact CG1-O 3.39Å; V1035-V1064 HydrophobicContact CG2-CB 4.37Å; V1035-V1064 HydrophobicContact CG2-CG1 3.63Å; V1035-V1067 HydrophobicContact CG2-CB 3.89Å; V1035-V1067 HydrophobicContact CG2-CG1 3.7Å |
| 1036 | D | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 169.1 | 178.3 | 74.2 | 20 | 0 | 0 | 0 | 114.1 | Q1020 N1021 L1022 N1038 G1039 N1040 W1042 | Q1020-D1036 HydrophobicContact CB-CB 4.4Å; Q1020-D1036 PolarHBondContact OE1-OD2 3.24Å; N1021-D1036 WeakPolarHBondContact O-CA 3.23Å; N1021-D1036 WeakPolarHBondContact O-CB 3.47Å; L1022-D1036 HydrophobicContact CD2-CB 3.85Å; D1036-N1038 PolarHBondContact O-N 3.36Å; D1036-N1038 VanDerWaalsContact O-N 3.16Å; D1036-N1038 VanDerWaalsContact OD1-C 3.28Å; D1036-N1038 VanDerWaalsContact OD1-CA 3.3Å; D1036-N1038 WeakPolarHBondContact OD1-CA 3.41Å; D1036-N1038 WeakPolarHBondContact OD1-CB 3.46Å; D1036-N1038 PolarHBondContact OD1-N 3.38Å; D1036-G1039 PolarHBondContact O-N 2.93Å; D1036-G1039 VanDerWaalsContact O-N 3.07Å; D1036-G1039 PolarHBondContact OD1-N 3.04Å; D1036-N1040 PolarHBondContact N-O 2.78Å; D1036-N1040 PolarHBondContact OD1-N 3.14Å; D1036-N1040 PolarHBondContact OD1-ND2 2.77Å; D1036-N1040 WeakPolarHBondContact OD2-CB 3.41Å; D1036-N1040 PolarHBondContact OD2-ND2 2.87Å; D1036-W1042 PolarHBondContact OD2-NE1 2.86Å |
| 1037 | D | 90.3 | Very high | 89.6 | Confident | 83 Ų | 83 | 23.8 Ų | 23.8 | 44% | 0.444 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -9.9 | 178.6 | -71.5 | -44 | 0 | 0 | 0 | 113.1 | K976 N1021 R1023 | K976-D1037 IonicContact NZ-OD2 2.63Å; N1021-D1037 WeakPolarHBondContact CB-OD2 3.3Å; N1021-D1037 PolarHBondContact O-N 3Å; R1023-D1037 VanDerWaalsContact CB-OD1 3.31Å; R1023-D1037 WeakPolarHBondContact CB-OD1 3.46Å; R1023-D1037 WeakPolarHBondContact CD-OD1 3.13Å; R1023-D1037 WeakPolarHBondContact CG-OD1 3.11Å |
| 1038 | N | 90.4 | Very high | 88.4 | Confident | 117 Ų | 117 | 25.9 Ų | 25.9 | 63% | 0.626 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.2 | 173.7 | -66.9 | -57.2 | 0 | 0 | 0 | 113.3 | Q1020 D1036 | Q1020-N1038 PolarHBondContact OE1-ND2 2.72Å; D1036-N1038 PolarHBondContact O-N 3.36Å; D1036-N1038 VanDerWaalsContact O-N 3.16Å; D1036-N1038 VanDerWaalsContact OD1-C 3.28Å; D1036-N1038 VanDerWaalsContact OD1-CA 3.3Å; D1036-N1038 WeakPolarHBondContact OD1-CA 3.41Å; D1036-N1038 WeakPolarHBondContact OD1-CB 3.46Å; D1036-N1038 PolarHBondContact OD1-N 3.38Å |
| 1039 | G | 90.7 | Very high | 87 | Confident | 11 Ų | 11 | 27.7 Ų | 27.7 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 79.9 | 20.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | D1036 N1062 N1063 V1064 | D1036-G1039 PolarHBondContact O-N 2.93Å; D1036-G1039 VanDerWaalsContact O-N 3.07Å; D1036-G1039 PolarHBondContact OD1-N 3.04Å; G1039-N1062 CarbonylContact O-C 3Å; G1039-N1063 PolarHBondContact O-N 2.87Å; G1039-V1064 CarbonylContact C-O 3.59Å; G1039-V1064 WeakPolarHBondContact CA-O 3.42Å; G1039-V1064 PolarHBondContact O-N 2.86Å |
| 1040 | N | 94.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | trans | -89.6 | 138.7 | 172.8 | -50.1 | -66.9 | 0 | 0 | 0 | 111.7 | V1035 D1036 L1059 S1061 | V1035-N1040 CarbonylContact C-O 3.59Å; V1035-N1040 VanDerWaalsContact CA-O 3.28Å; V1035-N1040 WeakPolarHBondContact CA-O 3.32Å; D1036-N1040 PolarHBondContact N-O 2.78Å; D1036-N1040 PolarHBondContact OD1-N 3.14Å; D1036-N1040 PolarHBondContact OD1-ND2 2.77Å; D1036-N1040 WeakPolarHBondContact OD2-CB 3.41Å; D1036-N1040 PolarHBondContact OD2-ND2 2.87Å; N1040-L1059 HydrophobicContact CB-CD1 3.66Å; N1040-S1061 CarbonylContact C-O 3.58Å; N1040-S1061 WeakPolarHBondContact CA-O 3.33Å | ||
| 1041 | L | 94.9 | Very high | 85.3 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.8 | 171.9 | -178.1 | 69.3 | 0 | 0 | 0 | 110.5 | F1033 A1034 V1035 I1060 S1061 V1064 V1067 W1109 | F1033-L1041 HydrophobicContact CB-CD1 4.17Å; F1033-L1041 HydrophobicContact CD1-CD1 4.04Å; F1033-L1041 HydrophobicContact CD1-CD2 4.28Å; F1033-L1041 HydrophobicContact CD1-CG 4.16Å; A1034-L1041 WeakPolarHBondContact O-CA 3.17Å; V1035-L1041 HydrophobicContact CG2-CD1 3.98Å; L1041-I1060 HydrophobicContact CD2-CB 4.37Å; L1041-I1060 HydrophobicContact CD2-CG2 4.32Å; L1041-I1060 HydrophobicContact CG-CB 4.47Å; L1041-I1060 PolarHBondContact O-N 2.85Å; L1041-S1061 PolarHBondContact N-O 3.12Å; L1041-V1064 HydrophobicContact CB-CB 4.29Å; L1041-V1064 HydrophobicContact CB-CG2 3.86Å; L1041-V1067 HydrophobicContact CD1-CB 4.13Å; L1041-V1067 HydrophobicContact CD1-CG2 3.96Å; L1041-W1109 HydrophobicContact CD2-CH2 3.86Å; L1041-W1109 HydrophobicContact CD2-CZ2 3.64Å |
| 1042 | W | 94.3 | Very high | 84.5 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 11% | 0.114 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139 | 178.6 | -63.5 | 87.5 | 0 | 0 | 0 | 110.8 | P1017 Q1020 L1022 F1033 A1034 D1036 W1057 E1058 L1059 | P1017-W1042 HydrophobicContact CB-CD2 4.07Å; P1017-W1042 HydrophobicContact CB-CE3 3.97Å; P1017-W1042 HydrophobicContact CB-CH2 4.09Å; P1017-W1042 HydrophobicContact CB-CZ2 4.18Å; P1017-W1042 HydrophobicContact CB-CZ3 3.97Å; P1017-W1042 HydrophobicContact CG-CD2 3.87Å; P1017-W1042 HydrophobicContact CG-CE3 4.03Å; P1017-W1042 HydrophobicContact CG-CG 4.17Å; Q1020-W1042 HydrophobicContact CG-CZ2 3.85Å; L1022-W1042 HydrophobicContact CD2-CG 4.48Å; F1033-W1042 CarbonylContact C-O 3.59Å; F1033-W1042 WeakPolarHBondContact CA-O 3.44Å; A1034-W1042 PolarHBondContact N-O 3.12Å; A1034-W1042 PolarHBondContact O-N 3.11Å; D1036-W1042 PolarHBondContact OD2-NE1 2.86Å; W1042-W1057 HydrophobicContact CB-CE3 3.93Å; W1042-W1057 HydrophobicContact CB-CZ3 4.4Å; W1042-W1057 HydrophobicContact CE3-CB 4.1Å; W1042-E1058 CarbonylContact C-O 3.59Å; W1042-E1058 VanDerWaalsContact CA-O 3.26Å; W1042-E1058 WeakPolarHBondContact CA-O 3.33Å; W1042-E1058 VanDerWaalsContact CE3-C 3.48Å; W1042-L1059 HydrophobicContact CE3-CB 4.17Å; W1042-L1059 HydrophobicContact CH2-CB 3.99Å; W1042-L1059 HydrophobicContact CZ2-CB 4.44Å; W1042-L1059 HydrophobicContact CZ2-CD1 4.31Å; W1042-L1059 HydrophobicContact CZ3-CB 3.85Å |
| 1043 | Y | 93.6 | Very high | 83.7 | Confident | 17 Ų | 17 | 33 Ų | 33 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141.4 | 173.5 | 169.4 | -113 | 0 | 0 | 0 | 110.4 | F1033 Q1045 W1057 E1058 P1104 K1105 | F1033-Y1043 HydrophobicContact CD1-CD2 4.32Å; F1033-Y1043 HydrophobicContact CD2-CD2 4.38Å; F1033-Y1043 AromaticContact CE1-CD2 3.83Å; F1033-Y1043 HydrophobicContact CE1-CD2 3.83Å; F1033-Y1043 HydrophobicContact CE1-CG 4.19Å; F1033-Y1043 AromaticContact CE2-CD2 3.88Å; F1033-Y1043 HydrophobicContact CE2-CD2 3.88Å; F1033-Y1043 HydrophobicContact CE2-CE2 4.34Å; F1033-Y1043 AromaticContact CZ-CD2 3.58Å; F1033-Y1043 HydrophobicContact CZ-CD2 3.58Å; F1033-Y1043 HydrophobicContact CZ-CE2 4.26Å; F1033-Y1043 HydrophobicContact CZ-CG 4.31Å; Y1043-Q1045 HydrophobicContact CD1-CG 4.04Å; Y1043-Q1045 HydrophobicContact CE1-CG 4.02Å; Y1043-W1057 WeakPolarHBondContact O-CA 3.47Å; Y1043-E1058 PolarHBondContact N-O 3.28Å; Y1043-E1058 PolarHBondContact O-N 3.01Å; Y1043-P1104 HydrophobicContact CE1-CG 4.46Å; Y1043-P1104 HydrophobicContact CE2-CB 4.35Å; Y1043-P1104 WeakPolarHBondContact OH-CG 3.37Å; Y1043-K1105 HydrophobicContact CD1-CG 4.14Å; Y1043-K1105 HydrophobicContact CE1-CG 4.31Å |
| 1044 | R | 90.7 | Very high | 83.1 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.038 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111 | 173.7 | -170.2 | 73.5 | -177.2 | 150.1 | 7.9 | 110.2 | W987 V1032 L1047 Q1053 G1054 S1055 A1056 W1057 | W987-R1044 HydrophobicContact CH2-CG 4.25Å; V1032-R1044 HydrophobicContact CB-CB 3.92Å; V1032-R1044 HydrophobicContact CG1-CB 4.46Å; V1032-R1044 PolarHBondContact O-N 2.99Å; R1044-L1047 HydrophobicContact CB-CD1 4.03Å; R1044-L1047 HydrophobicContact CB-CG 4.32Å; R1044-L1047 HydrophobicContact CG-CD1 4.3Å; R1044-L1047 HydrophobicContact CG-CD2 4.1Å; R1044-L1047 HydrophobicContact CG-CG 4.07Å; R1044-L1047 WeakPolarHBondContact O-CD1 3.3Å; R1044-Q1053 PolarHBondContact NE-O 2.87Å; R1044-Q1053 PolarHBondContact NH2-O 2.76Å; R1044-G1054 VanDerWaalsContact NH2-C 3.3Å; R1044-G1054 PolarHBondContact NH2-O 2.71Å; R1044-S1055 VanDerWaalsContact CZ-O 3.31Å; R1044-S1055 PolarHBondContact NH1-O 3.48Å; R1044-S1055 VanDerWaalsContact NH2-C 3.27Å; R1044-S1055 PolarHBondContact NH2-O 2.88Å; R1044-A1056 WeakPolarHBondContact CA-O 3.24Å; R1044-A1056 VanDerWaalsContact NH1-C 3.32Å; R1044-W1057 HydrophobicContact CB-CE3 4.08Å; R1044-W1057 HydrophobicContact CB-CH2 4.2Å; R1044-W1057 HydrophobicContact CB-CZ3 3.85Å |
| 1045 | Q | 84.5 | Confident | 82.1 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 164.4 | 175.4 | -66.7 | -173 | -16.2 | 0 | 0 | 112.3 | Y1043 L1047 G1054 S1055 A1056 E1058 | Y1043-Q1045 HydrophobicContact CD1-CG 4.04Å; Y1043-Q1045 HydrophobicContact CE1-CG 4.02Å; Q1045-L1047 PolarHBondContact O-N 2.76Å; Q1045-L1047 VanDerWaalsContact O-N 3.17Å; Q1045-G1054 CarbonylContact O-C 3.56Å; Q1045-G1054 WeakPolarHBondContact O-CA 3.25Å; Q1045-S1055 PolarHBondContact O-N 3.25Å; Q1045-S1055 PolarHBondContact O-OG 2.91Å; Q1045-A1056 PolarHBondContact N-O 2.93Å; Q1045-E1058 HydrophobicContact CG-CB 4.14Å; Q1045-E1058 PolarHBondContact NE2-OE2 3.48Å |
| 1046 | G | 73.1 | Confident | 81.5 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 10.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | T1048 | G1046-T1048 PolarHBondContact O-N 3.19Š|
| 1047 | L | 77.1 | Confident | 81.4 | Confident | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | trans | -63.8 | 126.1 | 173.7 | -69.5 | 168.5 | 0 | 0 | 0 | 110.3 | W987 T1030 V1032 R1044 Q1045 P1052 | W987-L1047 HydrophobicContact CZ2-CD2 4.24Å; T1030-L1047 WeakPolarHBondContact O-CD1 3.29Å; V1032-L1047 HydrophobicContact CB-CD1 3.93Å; V1032-L1047 HydrophobicContact CG2-CD1 3.71Å; V1032-L1047 HydrophobicContact CG2-CD2 4.25Å; V1032-L1047 VanDerWaalsContact N-CD1 3.34Å; R1044-L1047 HydrophobicContact CB-CD1 4.03Å; R1044-L1047 HydrophobicContact CB-CG 4.32Å; R1044-L1047 HydrophobicContact CG-CD1 4.3Å; R1044-L1047 HydrophobicContact CG-CD2 4.1Å; R1044-L1047 HydrophobicContact CG-CG 4.07Å; R1044-L1047 WeakPolarHBondContact O-CD1 3.3Å; Q1045-L1047 PolarHBondContact O-N 2.76Å; Q1045-L1047 VanDerWaalsContact O-N 3.17Å; L1047-P1052 VanDerWaalsContact CD2-O 3.29Å; L1047-P1052 WeakPolarHBondContact CD2-O 3.36Å | ||
| 1048 | T | 68.1 | Low | 81.4 | Confident | 44 Ų | 44 | 37.9 Ų | 37.9 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | trans | -138.8 | 162.5 | 169.9 | 70.5 | 0 | 0 | 0 | 0 | 109.9 | G1046 S1050 Y1051 | G1046-T1048 PolarHBondContact O-N 3.19Å; T1048-S1050 PolarHBondContact O-N 3.02Å; T1048-S1050 PolarHBondContact OG1-N 2.82Å; T1048-S1050 PolarHBondContact OG1-OG 3.08Å; T1048-Y1051 PolarHBondContact N-O 3.43Å; T1048-Y1051 CarbonylContact O-C 3.12Å; T1048-Y1051 PolarHBondContact O-N 2.84Å; T1048-Y1051 VanDerWaalsContact O-N 3.11Å; T1048-Y1051 WeakPolarHBondContact OG1-CB 3.15Å; T1048-Y1051 PolarHBondContact OG1-N 3.14Å | ||
| 1049 | P | 61.7 | Low | 81.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 25% | 0.253 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -59.8 | -25.6 | 174 | -24.7 | 35.3 | 0 | 0 | 0 | 113.8 | K36 | K36-P1049 HydrophobicContact CB-CB 3.69Å; K36-P1049 HydrophobicContact CG-CB 3.94Å |
| 1050 | S | 56.4 | Low | 81.5 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 28% | 0.28 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -84.4 | -29 | 174.7 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | T1048 | T1048-S1050 PolarHBondContact O-N 3.02Å; T1048-S1050 PolarHBondContact OG1-N 2.82Å; T1048-S1050 PolarHBondContact OG1-OG 3.08Å |
| 1051 | Y | 69.5 | Low | 81.3 | Confident | 87 Ų | 87 | 37.4 Ų | 37.4 | 34% | 0.341 | 21% | 0.211 | S | C | . | . | trans | -128.8 | 72.2 | 179.5 | -170.6 | -127.7 | 0 | 0 | 0 | 111 | T1048 Q1053 G1054 | T1048-Y1051 PolarHBondContact N-O 3.43Å; T1048-Y1051 CarbonylContact O-C 3.12Å; T1048-Y1051 PolarHBondContact O-N 2.84Å; T1048-Y1051 VanDerWaalsContact O-N 3.11Å; T1048-Y1051 WeakPolarHBondContact OG1-CB 3.15Å; T1048-Y1051 PolarHBondContact OG1-N 3.14Å; Y1051-Q1053 HydrophobicContact CE2-CB 4.18Å; Y1051-Q1053 PolarHBondContact O-N 3.12Å; Y1051-G1054 WeakPolarHBondContact CE1-O 3.47Å; Y1051-G1054 PolarHBondContact O-N 3.12Å; Y1051-G1054 PolarHBondContact OH-O 3.03Å | ||
| 1052 | P | 71.4 | Confident | 81.1 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 14% | 0.143 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -2 | -173.6 | 30.1 | -37.5 | 0 | 0 | 0 | 114.2 | W987 Y997 L1047 | W987-P1052 WeakPolarHBondContact CZ2-O 3.44Å; Y997-P1052 HydrophobicContact CE1-CG 4.17Å; Y997-P1052 HydrophobicContact CE2-CB 4.44Å; Y997-P1052 WeakPolarHBondContact OH-CG 3.47Å; L1047-P1052 VanDerWaalsContact CD2-O 3.29Å; L1047-P1052 WeakPolarHBondContact CD2-O 3.36Å |
| 1053 | Q | 78.5 | Confident | 80.9 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -24.2 | 174.7 | -64.2 | -179.3 | 2.9 | 0 | 0 | 112.6 | Y997 I1014 R1044 Y1051 | Y997-Q1053 HydrophobicContact CD1-CG 3.82Å; Y997-Q1053 HydrophobicContact CE1-CG 4.26Å; I1014-Q1053 HydrophobicContact CD1-CB 3.91Å; I1014-Q1053 HydrophobicContact CD1-CG 3.91Å; R1044-Q1053 PolarHBondContact NE-O 2.87Å; R1044-Q1053 PolarHBondContact NH2-O 2.76Å; Y1051-Q1053 HydrophobicContact CE2-CB 4.18Å; Y1051-Q1053 PolarHBondContact O-N 3.12Å |
| 1054 | G | 80.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | 64.7 | 174 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1044 Q1045 Y1051 | R1044-G1054 VanDerWaalsContact NH2-C 3.3Å; R1044-G1054 PolarHBondContact NH2-O 2.71Å; Q1045-G1054 CarbonylContact O-C 3.56Å; Q1045-G1054 WeakPolarHBondContact O-CA 3.25Å; Y1051-G1054 WeakPolarHBondContact CE1-O 3.47Å; Y1051-G1054 PolarHBondContact O-N 3.12Å; Y1051-G1054 PolarHBondContact OH-O 3.03Å | ||
| 1055 | S | 75.1 | Confident | 81 | Confident | 69 Ų | 69 | 43.3 Ų | 43.3 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -96.1 | -64.9 | -174.3 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | R1044 Q1045 | R1044-S1055 VanDerWaalsContact CZ-O 3.31Å; R1044-S1055 PolarHBondContact NH1-O 3.48Å; R1044-S1055 VanDerWaalsContact NH2-C 3.27Å; R1044-S1055 PolarHBondContact NH2-O 2.88Å; Q1045-S1055 PolarHBondContact O-N 3.25Å; Q1045-S1055 PolarHBondContact O-OG 2.91Å |
| 1056 | A | 83.9 | Confident | 81.4 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | trans | -127.4 | 165.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113 | R1044 Q1045 | R1044-A1056 WeakPolarHBondContact CA-O 3.24Å; R1044-A1056 VanDerWaalsContact NH1-C 3.32Å; Q1045-A1056 PolarHBondContact N-O 2.93Å | ||
| 1057 | W | 90.1 | Very high | 82.5 | Confident | 33 Ų | 33 | 40.7 Ų | 40.7 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136.4 | 167.5 | -70.8 | 107 | 0 | 0 | 0 | 110.2 | W987 V995 P1015 P1017 L1022 V1032 A1034 W1042 Y1043 R1044 | W987-W1057 HydrophobicContact CZ3-CZ2 4.28Å; V995-W1057 HydrophobicContact CG1-CZ2 4.36Å; V995-W1057 HydrophobicContact CG2-CZ2 4.42Å; P1015-W1057 PolarHBondContact O-NE1 2.88Å; P1017-W1057 HydrophobicContact CB-CB 4.32Å; P1017-W1057 HydrophobicContact CG-CB 3.89Å; P1017-W1057 HydrophobicContact CG-CD2 4.27Å; P1017-W1057 HydrophobicContact CG-CG 3.8Å; L1022-W1057 HydrophobicContact CD1-CH2 4.36Å; L1022-W1057 HydrophobicContact CD1-CZ2 4.16Å; V1032-W1057 HydrophobicContact CG1-CH2 4.11Å; A1034-W1057 HydrophobicContact CB-CH2 3.98Å; A1034-W1057 HydrophobicContact CB-CZ3 3.93Å; W1042-W1057 HydrophobicContact CB-CE3 3.93Å; W1042-W1057 HydrophobicContact CB-CZ3 4.4Å; W1042-W1057 HydrophobicContact CE3-CB 4.1Å; Y1043-W1057 WeakPolarHBondContact O-CA 3.47Å; R1044-W1057 HydrophobicContact CB-CE3 4.08Å; R1044-W1057 HydrophobicContact CB-CH2 4.2Å; R1044-W1057 HydrophobicContact CB-CZ3 3.85Å |
| 1058 | E | 90.3 | Very high | 83.5 | Confident | 50 Ų | 50 | 39.9 Ų | 39.9 | 23% | 0.234 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138 | 179.8 | 179.9 | 178.5 | -154.4 | 0 | 0 | 110.5 | W1042 Y1043 Q1045 I1060 K1105 | W1042-E1058 CarbonylContact C-O 3.59Å; W1042-E1058 VanDerWaalsContact CA-O 3.26Å; W1042-E1058 WeakPolarHBondContact CA-O 3.33Å; W1042-E1058 VanDerWaalsContact CE3-C 3.48Å; Y1043-E1058 PolarHBondContact N-O 3.28Å; Y1043-E1058 PolarHBondContact O-N 3.01Å; Q1045-E1058 HydrophobicContact CG-CB 4.14Å; Q1045-E1058 PolarHBondContact NE2-OE2 3.48Å; E1058-I1060 HydrophobicContact CG-CD1 4.16Å; E1058-K1105 IonicContact OE1-NZ 3.64Å; E1058-K1105 PolarHBondContact OE1-NZ 3.39Å; E1058-K1105 WeakPolarHBondContact OE2-CD 3.46Å; E1058-K1105 WeakPolarHBondContact OE2-CE 3.22Å; E1058-K1105 IonicContact OE2-NZ 2.73Å; E1058-K1105 PolarHBondContact OE2-NZ 3.09Å |
| 1059 | L | 91.9 | Very high | 84.7 | Confident | 94 Ų | 94 | 37.8 Ų | 37.8 | 49% | 0.492 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.9 | 174.9 | 175.8 | 60.2 | 0 | 0 | 0 | 109.9 | N1040 W1042 | N1040-L1059 HydrophobicContact CB-CD1 3.66Å; W1042-L1059 HydrophobicContact CE3-CB 4.17Å; W1042-L1059 HydrophobicContact CH2-CB 3.99Å; W1042-L1059 HydrophobicContact CZ2-CB 4.44Å; W1042-L1059 HydrophobicContact CZ2-CD1 4.31Å; W1042-L1059 HydrophobicContact CZ3-CB 3.85Å |
| 1060 | I | 91.6 | Very high | 86.2 | Confident | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.169 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -46.6 | -178.8 | -57.3 | -56.2 | 0 | 0 | 0 | 112 | F1033 L1041 E1058 K1105 | F1033-I1060 HydrophobicContact CE1-CG1 4.41Å; L1041-I1060 HydrophobicContact CD2-CB 4.37Å; L1041-I1060 HydrophobicContact CD2-CG2 4.32Å; L1041-I1060 HydrophobicContact CG-CB 4.47Å; L1041-I1060 PolarHBondContact O-N 2.85Å; E1058-I1060 HydrophobicContact CG-CD1 4.16Å; I1060-K1105 HydrophobicContact CD1-CB 4.02Å; I1060-K1105 HydrophobicContact CD1-CD 4Å; I1060-K1105 HydrophobicContact CD1-CG 3.96Å |
| 1061 | S | 89.6 | Confident | 87.6 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 161.1 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | N1040 L1041 W1109 | N1040-S1061 CarbonylContact C-O 3.58Å; N1040-S1061 WeakPolarHBondContact CA-O 3.33Å; L1041-S1061 PolarHBondContact N-O 3.12Å; S1061-W1109 PolarHBondContact OG-NE1 2.92Å |
| 1062 | N | 90.4 | Very high | 88.4 | Confident | 104 Ų | 104 | 31.7 Ų | 31.7 | 56% | 0.556 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -88.8 | -169.4 | 163.6 | 61 | -24.8 | 0 | 0 | 0 | 111 | G1039 V1064 | G1039-N1062 CarbonylContact O-C 3Å; N1062-V1064 PolarHBondContact O-N 3.02Å |
| 1063 | N | 90.8 | Very high | 89.2 | Confident | 42 Ų | 42 | 31.1 Ų | 31.1 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | trans | 65.7 | 29.2 | 171.5 | -177.3 | 46 | 0 | 0 | 0 | 114.9 | G1039 A1079 E1080 G1081 | G1039-N1063 PolarHBondContact O-N 2.87Å; N1063-A1079 CarbonylContact O-C 3.54Å; N1063-A1079 WeakPolarHBondContact O-CA 3.43Å; N1063-E1080 PolarHBondContact O-N 3Å; N1063-E1080 WeakPolarHBondContact OD1-CB 3.38Å; N1063-E1080 PolarHBondContact OD1-N 3.47Å; N1063-G1081 PolarHBondContact ND2-O 2.85Å; N1063-G1081 PolarHBondContact OD1-N 2.56Å; N1063-G1081 PolarHBondContact OD1-O 3.01Å | ||
| 1064 | V | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.3 | -179.8 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | V1035 G1039 L1041 N1062 K1066 I1077 | V1035-V1064 HydrophobicContact CG1-CG1 4.4Å; V1035-V1064 VanDerWaalsContact CG1-O 3.24Å; V1035-V1064 WeakPolarHBondContact CG1-O 3.39Å; V1035-V1064 HydrophobicContact CG2-CB 4.37Å; V1035-V1064 HydrophobicContact CG2-CG1 3.63Å; G1039-V1064 CarbonylContact C-O 3.59Å; G1039-V1064 WeakPolarHBondContact CA-O 3.42Å; G1039-V1064 PolarHBondContact O-N 2.86Å; L1041-V1064 HydrophobicContact CB-CB 4.29Å; L1041-V1064 HydrophobicContact CB-CG2 3.86Å; N1062-V1064 PolarHBondContact O-N 3.02Å; V1064-K1066 WeakPolarHBondContact CG1-O 3.47Å; V1064-I1077 HydrophobicContact CG1-CB 3.99Å; V1064-I1077 HydrophobicContact CG1-CD1 4.45Å; V1064-I1077 HydrophobicContact CG1-CG2 3.79Å; V1064-I1077 HydrophobicContact CG2-CD1 3.76Å |
| 1065 | T | 92.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 29.6 Ų | 29.6 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -29.8 | 178.1 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | I1078 E1080 | T1065-I1078 PolarHBondContact N-O 3.47Å; T1065-I1078 WeakPolarHBondContact OG1-CG2 3.36Å; T1065-I1078 PolarHBondContact OG1-O 2.65Å; T1065-E1080 HydrophobicContact CG2-CB 3.69Å; T1065-E1080 HydrophobicContact CG2-CG 4.14Å |
| 1066 | K | 93.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 26.3 Ų | 26.3 | 18% | 0.183 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.8 | 177 | -76 | -65.4 | -165.2 | 157.3 | 0 | 110.4 | Q1024 V1064 I1077 I1078 E1118 | Q1024-K1066 HydrophobicContact CG-CD 4.49Å; V1064-K1066 WeakPolarHBondContact CG1-O 3.47Å; K1066-I1077 VanDerWaalsContact O-CA 3.25Å; K1066-I1077 WeakPolarHBondContact O-CA 3.37Å; K1066-I1077 WeakPolarHBondContact O-CB 3.12Å; K1066-I1078 HydrophobicContact CB-CB 4.09Å; K1066-I1078 HydrophobicContact CB-CG1 4.11Å; K1066-I1078 PolarHBondContact N-O 3.13Å; K1066-I1078 PolarHBondContact O-N 3.05Å; K1066-E1118 WeakPolarHBondContact CG-O 3.33Å |
| 1067 | V | 96.5 | Very high | 92 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143 | 173.6 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | Q1024 F1033 V1035 L1041 V1069 V1075 I1077 | Q1024-V1067 PolarHBondContact NE2-O 3.44Å; F1033-V1067 HydrophobicContact CB-CG2 4.01Å; V1035-V1067 HydrophobicContact CG2-CB 3.89Å; V1035-V1067 HydrophobicContact CG2-CG1 3.7Å; L1041-V1067 HydrophobicContact CD1-CB 4.13Å; L1041-V1067 HydrophobicContact CD1-CG2 3.96Å; V1067-V1069 HydrophobicContact CG2-CG2 4.27Å; V1067-V1075 HydrophobicContact CG2-CG1 3.99Å; V1067-I1077 HydrophobicContact CB-CG2 4.3Å; V1067-I1077 HydrophobicContact CG2-CG2 4.14Å |
| 1068 | S | 96.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128 | 172.9 | -160.6 | 0 | 0 | 0 | 0 | 109.6 | W1076 I1120 S1121 V1122 | S1068-W1076 PolarHBondContact N-O 3.37Å; S1068-W1076 PolarHBondContact O-N 3Å; S1068-W1076 VanDerWaalsContact O-O 3.13Å; S1068-I1120 WeakPolarHBondContact CB-O 3.43Å; S1068-I1120 PolarHBondContact OG-O 2.64Å; S1068-S1121 WeakPolarHBondContact OG-CA 3.29Å; S1068-V1122 PolarHBondContact OG-N 2.8Å |
| 1069 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134 | -179.7 | -172 | 0 | 0 | 0 | 0 | 109.2 | S1026 F1033 V1067 Q1074 V1075 R1123 | S1026-V1069 PolarHBondContact OG-N 2.94Å; F1033-V1069 HydrophobicContact CB-CG2 4.15Å; F1033-V1069 HydrophobicContact CD2-CG2 3.74Å; F1033-V1069 HydrophobicContact CG-CG2 4.3Å; V1067-V1069 HydrophobicContact CG2-CG2 4.27Å; V1069-Q1074 WeakPolarHBondContact CA-O 3.24Å; V1069-V1075 HydrophobicContact CG2-CG2 4.44Å; V1069-R1123 VanDerWaalsContact O-CG 3.27Å; V1069-R1123 WeakPolarHBondContact O-CG 3.36Å |
| 1070 | G | 91.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -96.7 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1072 D1073 Q1074 | G1070-L1072 PolarHBondContact O-N 3.44Å; G1070-D1073 PolarHBondContact O-N 2.8Å; G1070-D1073 VanDerWaalsContact O-N 3.12Å; G1070-Q1074 PolarHBondContact N-O 2.96Å | ||
| 1071 | P | 87.6 | Confident | 91.8 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.019 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14 | -178.5 | 27.9 | -35.1 | 0 | 0 | 0 | 114.5 | P929 C930 R1029 N1125 | P929-P1071 HydrophobicContact CB-CB 3.98Å; C930-P1071 WeakPolarHBondContact O-CB 3.39Å; R1029-P1071 WeakPolarHBondContact CD-O 3.39Å; P1071-N1125 WeakPolarHBondContact CD-O 3.3Å; P1071-N1125 VanDerWaalsContact CG-O 3.24Å; P1071-N1125 WeakPolarHBondContact CG-O 3.36Å |
| 1072 | L | 85.8 | Confident | 91.5 | Very high | 34 Ų | 34 | 21 Ų | 21 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 14.2 | 175.3 | -50.4 | -179.4 | 0 | 0 | 0 | 111.8 | E736 L931 G1070 Q1074 E1128 | E736-L1072 HydrophobicContact CG-CD1 4.32Å; L931-L1072 HydrophobicContact CD2-CD2 3.95Å; G1070-L1072 PolarHBondContact O-N 3.44Å; L1072-Q1074 PolarHBondContact O-N 3.22Å; L1072-E1128 HydrophobicContact CD1-CG 4.22Å; L1072-E1128 HydrophobicContact CD2-CG 3.79Å |
| 1073 | D | 88.5 | Confident | 91.1 | Very high | 10 Ų | 10 | 20 Ų | 20 | 5% | 0.053 | 11% | 0.114 | C | C | . | . | trans | 61.1 | 13.8 | -169.9 | -69.5 | -64.4 | 0 | 0 | 0 | 114.9 | G1028 R1029 T1030 S1031 G1070 V1075 V1099 | G1028-D1073 WeakPolarHBondContact CA-OD1 3.32Å; R1029-D1073 WeakPolarHBondContact CB-OD2 3.38Å; R1029-D1073 PolarHBondContact N-OD1 2.73Å; T1030-D1073 WeakPolarHBondContact CB-OD2 3.27Å; T1030-D1073 VanDerWaalsContact N-CG 3.31Å; T1030-D1073 PolarHBondContact N-OD1 3.17Å; T1030-D1073 PolarHBondContact N-OD2 3.23Å; T1030-D1073 VanDerWaalsContact OG1-CG 3.3Å; T1030-D1073 PolarHBondContact OG1-OD2 2.92Å; S1031-D1073 WeakPolarHBondContact CB-OD1 3.46Å; S1031-D1073 PolarHBondContact N-OD1 3.39Å; S1031-D1073 PolarHBondContact OG-OD1 2.98Å; G1070-D1073 PolarHBondContact O-N 2.8Å; G1070-D1073 VanDerWaalsContact O-N 3.12Å; D1073-V1075 WeakPolarHBondContact O-CG2 3.14Å; D1073-V1099 WeakPolarHBondContact O-CG1 3.34Å | ||
| 1074 | Q | 90.9 | Very high | 90.6 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.033 | 14% | 0.14 | C | C | . | . | trans | -63.1 | 140.6 | 173.8 | 69.8 | -92.8 | 77.2 | 0 | 0 | 111.3 | E736 V1069 G1070 L1072 V1122 N1125 | E736-Q1074 WeakPolarHBondContact OE1-CG 3.43Å; E736-Q1074 PolarHBondContact OE1-NE2 3.47Å; V1069-Q1074 WeakPolarHBondContact CA-O 3.24Å; G1070-Q1074 PolarHBondContact N-O 2.96Å; L1072-Q1074 PolarHBondContact O-N 3.22Å; Q1074-V1122 HydrophobicContact CG-CG1 4.42Å; Q1074-V1122 HydrophobicContact CG-CG2 3.73Å; Q1074-N1125 PolarHBondContact NE2-O 2.68Å | ||
| 1075 | V | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.5 | -172 | -173.5 | 0 | 0 | 0 | 0 | 111 | F1033 V1067 V1069 D1073 H1095 R1096 V1099 W1109 | F1033-V1075 HydrophobicContact CD2-CG2 3.99Å; F1033-V1075 HydrophobicContact CE1-CG2 4.43Å; F1033-V1075 HydrophobicContact CE2-CG2 3.45Å; F1033-V1075 VanDerWaalsContact CE2-CG2 3.45Å; F1033-V1075 HydrophobicContact CZ-CG2 3.71Å; V1067-V1075 HydrophobicContact CG2-CG1 3.99Å; V1069-V1075 HydrophobicContact CG2-CG2 4.44Å; D1073-V1075 WeakPolarHBondContact O-CG2 3.14Å; V1075-H1095 PolarHBondContact O-CD2 3.39Å; V1075-R1096 HydrophobicContact CB-CB 3.95Å; V1075-R1096 PolarHBondContact O-N 3.08Å; V1075-V1099 HydrophobicContact CG2-CG2 4.29Å; V1075-W1109 HydrophobicContact CG1-CH2 4.41Å |
| 1076 | W | 94.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.7 | 177.7 | -72 | 69.1 | 0 | 0 | 0 | 110.2 | L717 L735 M747 S1068 V1093 C1094 H1095 I1120 V1122 | L717-W1076 HydrophobicContact CD2-CD2 4.15Å; L717-W1076 HydrophobicContact CD2-CE3 4.26Å; L717-W1076 HydrophobicContact CD2-CH2 4.13Å; L717-W1076 HydrophobicContact CD2-CZ2 4Å; L717-W1076 HydrophobicContact CD2-CZ3 4.25Å; L735-W1076 HydrophobicContact CD1-CH2 4.44Å; L735-W1076 HydrophobicContact CD1-CZ2 4.26Å; L735-W1076 HydrophobicContact CD2-CZ2 4.02Å; L735-W1076 HydrophobicContact CG-CZ2 4.37Å; M747-W1076 HydrophobicContact CE-CH2 3.43Å; M747-W1076 VanDerWaalsContact CE-CH2 3.43Å; M747-W1076 HydrophobicContact CE-CZ2 4.46Å; M747-W1076 HydrophobicContact CE-CZ3 3.6Å; M747-W1076 HydrophobicContact SD-CH2 3.56Å; M747-W1076 VanDerWaalsContact SD-CH2 3.56Å; M747-W1076 HydrophobicContact SD-CZ3 3.68Å; S1068-W1076 PolarHBondContact N-O 3.37Å; S1068-W1076 PolarHBondContact O-N 3Å; S1068-W1076 VanDerWaalsContact O-O 3.13Å; W1076-V1093 HydrophobicContact CE3-CG1 3.81Å; W1076-V1093 HydrophobicContact CZ3-CG1 3.88Å; W1076-C1094 WeakPolarHBondContact CA-O 3.32Å; W1076-H1095 AromaticContact CD1-CD2 3.58Å; W1076-H1095 AromaticContact CD1-NE2 3.98Å; W1076-H1095 HydrophobicContact CD2-CB 4.07Å; W1076-H1095 AromaticContact CD2-CD2 3.92Å; W1076-H1095 AromaticContact CE2-CD2 3.3Å; W1076-H1095 AromaticContact CE2-CG 3.51Å; W1076-H1095 AromaticContact CE2-ND1 4Å; W1076-H1095 AromaticContact CE2-NE2 3.71Å; W1076-H1095 HydrophobicContact CE3-CB 4.08Å; W1076-H1095 HydrophobicContact CH2-CB 3.79Å; W1076-H1095 AromaticContact CH2-CG 3.96Å; W1076-H1095 HydrophobicContact CZ2-CB 3.78Å; W1076-H1095 AromaticContact CZ2-CD2 3.69Å; W1076-H1095 AromaticContact CZ2-CE1 3.86Å; W1076-H1095 AromaticContact CZ2-CG 3.43Å; W1076-H1095 VanDerWaalsContact CZ2-CG 3.43Å; W1076-H1095 AromaticContact CZ2-ND1 3.55Å; W1076-H1095 AromaticContact CZ2-NE2 3.96Å; W1076-H1095 HydrophobicContact CZ3-CB 3.94Å; W1076-H1095 AromaticContact NE1-CD2 3.06Å; W1076-H1095 PolarHBondContact NE1-CD2 3.04Å; W1076-H1095 AromaticContact NE1-CE1 3.93Å; W1076-H1095 AromaticContact NE1-CG 3.77Å; W1076-H1095 AromaticContact NE1-NE2 3.2Å; W1076-H1095 PolarHBondContact NE1-NE2 3.43Å; W1076-H1095 VanDerWaalsContact NE1-NE2 3.2Å; W1076-I1120 HydrophobicContact CB-CD1 4.23Å; W1076-I1120 HydrophobicContact CB-CG2 4.5Å; W1076-I1120 HydrophobicContact CD2-CD1 4.41Å; W1076-I1120 HydrophobicContact CE3-CD1 3.8Å; W1076-V1122 HydrophobicContact CB-CB 4.35Å; W1076-V1122 HydrophobicContact CB-CG1 4.16Å; W1076-V1122 HydrophobicContact CG-CB 4.06Å; W1076-V1122 HydrophobicContact CG-CG1 4.17Å; W1076-V1122 HydrophobicContact CG-CG2 4.21Å |
| 1077 | I | 95.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 162.2 | -177.3 | 62.1 | 165 | 0 | 0 | 0 | 112.6 | V1064 K1066 V1067 A1079 C1094 W1109 | V1064-I1077 HydrophobicContact CG1-CB 3.99Å; V1064-I1077 HydrophobicContact CG1-CD1 4.45Å; V1064-I1077 HydrophobicContact CG1-CG2 3.79Å; V1064-I1077 HydrophobicContact CG2-CD1 3.76Å; K1066-I1077 VanDerWaalsContact O-CA 3.25Å; K1066-I1077 WeakPolarHBondContact O-CA 3.37Å; K1066-I1077 WeakPolarHBondContact O-CB 3.12Å; V1067-I1077 HydrophobicContact CB-CG2 4.3Å; V1067-I1077 HydrophobicContact CG2-CG2 4.14Å; I1077-A1079 HydrophobicContact CD1-CB 4.24Å; I1077-C1094 HydrophobicContact CD1-CB 4.03Å; I1077-C1094 HydrophobicContact CG1-CB 3.66Å; I1077-C1094 PolarHBondContact N-O 3.32Å; I1077-C1094 PolarHBondContact O-N 2.72Å; I1077-W1109 HydrophobicContact CB-CH2 4.39Å; I1077-W1109 HydrophobicContact CB-CZ3 4.37Å; I1077-W1109 HydrophobicContact CD1-CD2 4.19Å; I1077-W1109 HydrophobicContact CD1-CE3 3.9Å; I1077-W1109 HydrophobicContact CD1-CH2 3.67Å; I1077-W1109 HydrophobicContact CD1-CZ2 3.94Å; I1077-W1109 HydrophobicContact CD1-CZ3 3.64Å; I1077-W1109 HydrophobicContact CG1-CE3 4.1Å; I1077-W1109 HydrophobicContact CG1-CH2 3.91Å; I1077-W1109 HydrophobicContact CG1-CZ3 3.58Å; I1077-W1109 HydrophobicContact CG2-CH2 3.6Å; I1077-W1109 HydrophobicContact CG2-CZ3 3.96Å |
| 1078 | I | 95.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.7 | 154.9 | -54.7 | -58.3 | 0 | 0 | 0 | 107.5 | T1065 K1066 S1092 V1093 W1117 I1120 | T1065-I1078 PolarHBondContact N-O 3.47Å; T1065-I1078 WeakPolarHBondContact OG1-CG2 3.36Å; T1065-I1078 PolarHBondContact OG1-O 2.65Å; K1066-I1078 HydrophobicContact CB-CB 4.09Å; K1066-I1078 HydrophobicContact CB-CG1 4.11Å; K1066-I1078 PolarHBondContact N-O 3.13Å; K1066-I1078 PolarHBondContact O-N 3.05Å; I1078-S1092 CarbonylContact C-O 3.59Å; I1078-S1092 WeakPolarHBondContact CA-O 3.15Å; I1078-V1093 HydrophobicContact CD1-CG2 3.93Å; I1078-W1117 HydrophobicContact CD1-CB 4.11Å; I1078-W1117 WeakPolarHBondContact CG2-O 3.44Å; I1078-I1120 HydrophobicContact CD1-CB 4.03Å; I1078-I1120 HydrophobicContact CD1-CG2 3.97Å; I1078-I1120 HydrophobicContact CG1-CG2 4.11Å |
| 1079 | A | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 149.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1063 I1077 G1091 S1092 | N1063-A1079 CarbonylContact O-C 3.54Å; N1063-A1079 WeakPolarHBondContact O-CA 3.43Å; I1077-A1079 HydrophobicContact CD1-CB 4.24Å; A1079-G1091 VanDerWaalsContact O-CA 3.28Å; A1079-G1091 WeakPolarHBondContact O-CA 3.39Å; A1079-G1091 PolarHBondContact O-N 3.09Å; A1079-S1092 PolarHBondContact N-O 2.72Å; A1079-S1092 PolarHBondContact O-N 2.8Å |
| 1080 | E | 88.6 | Confident | 85.6 | Confident | 110 Ų | 110 | 44 Ų | 44 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -68.8 | -48.6 | 177.1 | -168 | 177.2 | 177.1 | 0 | 0 | 110.5 | N1063 T1065 P1090 G1091 | N1063-E1080 PolarHBondContact O-N 3Å; N1063-E1080 WeakPolarHBondContact OD1-CB 3.38Å; N1063-E1080 PolarHBondContact OD1-N 3.47Å; T1065-E1080 HydrophobicContact CG2-CB 3.69Å; T1065-E1080 HydrophobicContact CG2-CG 4.14Å; E1080-P1090 HydrophobicContact CG-CB 4.33Å; E1080-P1090 WeakPolarHBondContact O-CA 3.43Å; E1080-P1090 VanDerWaalsContact O-CB 3.27Å; E1080-P1090 WeakPolarHBondContact O-CB 3.38Å; E1080-G1091 PolarHBondContact O-N 2.96Å; E1080-G1091 VanDerWaalsContact O-N 3.14Å |
| 1081 | G | 82.8 | Confident | 85.5 | Confident | 25 Ų | 25 | 44.1 Ų | 44.1 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -139.7 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1063 | N1063-G1081 PolarHBondContact ND2-O 2.85Å; N1063-G1081 PolarHBondContact OD1-N 2.56Å; N1063-G1081 PolarHBondContact OD1-O 3.01Å |
| 1082 | V | 83.7 | Confident | 85.7 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -100.1 | 128.9 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | G1084 F1085 E1088 S1092 Y1111 | V1082-G1084 PolarHBondContact O-N 3.4Å; V1082-F1085 HydrophobicContact CB-CB 4.43Å; V1082-F1085 HydrophobicContact CB-CD2 4.38Å; V1082-F1085 HydrophobicContact CG1-CD2 4.02Å; V1082-F1085 PolarHBondContact O-N 2.9Å; V1082-E1088 VanDerWaalsContact CG2-OE2 3.28Å; V1082-E1088 WeakPolarHBondContact CG2-OE2 3.19Å; V1082-S1092 WeakPolarHBondContact CG2-OG 3.43Å; V1082-Y1111 HydrophobicContact CB-CD1 4.41Å; V1082-Y1111 HydrophobicContact CG1-CD1 3.95Å; V1082-Y1111 HydrophobicContact CG1-CE1 4.47Å; V1082-Y1111 HydrophobicContact CG1-CG 4.28Å; V1082-Y1111 HydrophobicContact CG2-CD1 4.1Å | ||
| 1083 | P | 82.1 | Confident | 86.1 | Confident | 84 Ų | 84 | 42.4 Ų | 42.4 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 128.4 | 177 | -29 | 36.1 | 0 | 0 | 0 | 112.4 | Y1111 | P1083-Y1111 HydrophobicContact CG-CE1 4.4Š|
| 1084 | G | 79.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 42 Ų | 42 | 77% | 0.773 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -9.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V1082 P1086 | V1082-G1084 PolarHBondContact O-N 3.4Å; G1084-P1086 VanDerWaalsContact O-CD 3.32Å; G1084-P1086 WeakPolarHBondContact O-CD 3.46Å |
| 1085 | F | 79.9 | Confident | 86.4 | Confident | 80 Ų | 80 | 42 Ų | 42 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | trans | -121.2 | 59.5 | -178.8 | -63.4 | -90.4 | 0 | 0 | 0 | 113.3 | R678 V1082 T1087 E1088 | R678-F1085 HydrophobicContact CB-CD1 3.8Å; R678-F1085 HydrophobicContact CB-CE1 3.91Å; R678-F1085 HydrophobicContact CB-CG 4.33Å; R678-F1085 HydrophobicContact CG-CB 4.47Å; R678-F1085 HydrophobicContact CG-CD1 3.69Å; R678-F1085 HydrophobicContact CG-CD2 3.98Å; R678-F1085 HydrophobicContact CG-CE1 3.76Å; R678-F1085 HydrophobicContact CG-CE2 4.05Å; R678-F1085 HydrophobicContact CG-CG 3.8Å; R678-F1085 HydrophobicContact CG-CZ 3.94Å; V1082-F1085 HydrophobicContact CB-CB 4.43Å; V1082-F1085 HydrophobicContact CB-CD2 4.38Å; V1082-F1085 HydrophobicContact CG1-CD2 4.02Å; V1082-F1085 PolarHBondContact O-N 2.9Å; F1085-T1087 PolarHBondContact O-N 2.85Å; F1085-E1088 HydrophobicContact CB-CB 4.49Å; F1085-E1088 PolarHBondContact O-N 2.86Å; F1085-E1088 VanDerWaalsContact O-N 3.1Å | ||
| 1086 | P | 70.4 | Confident | 86.3 | Confident | 127 Ų | 127 | 43.1 Ų | 43.1 | 83% | 0.825 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 1.9 | -174.7 | 32.2 | -39 | 0 | 0 | 0 | 115 | G1084 | G1084-P1086 VanDerWaalsContact O-CD 3.32Å; G1084-P1086 WeakPolarHBondContact O-CD 3.46Å |
| 1087 | T | 70.8 | Confident | 86 | Confident | 136 Ų | 136 | 45 Ų | 45 | 83% | 0.834 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.1 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | F1085 | F1085-T1087 PolarHBondContact O-N 2.85Š|
| 1088 | E | 76.9 | Confident | 85.3 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 20% | 0.201 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -73 | 145.4 | 171.4 | -168.6 | 172.2 | -163.1 | 0 | 0 | 110 | R678 V1082 F1085 G1114 | R678-E1088 WeakPolarHBondContact CD-OE1 3.36Å; R678-E1088 WeakPolarHBondContact CD-OE2 3.39Å; R678-E1088 IonicContact NH1-OE1 2.93Å; R678-E1088 PolarHBondContact NH1-OE1 2.94Å; R678-E1088 IonicContact NH1-OE2 3.52Å; V1082-E1088 VanDerWaalsContact CG2-OE2 3.28Å; V1082-E1088 WeakPolarHBondContact CG2-OE2 3.19Å; F1085-E1088 HydrophobicContact CB-CB 4.49Å; F1085-E1088 PolarHBondContact O-N 2.86Å; F1085-E1088 VanDerWaalsContact O-N 3.1Å; E1088-G1114 WeakPolarHBondContact OE1-CA 3.43Å |
| 1089 | T | 79.3 | Confident | 84.7 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 136 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 110 | G1115 | T1089-G1115 WeakPolarHBondContact OG1-CA 3.44Š|
| 1090 | P | 85.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 49.7 Ų | 49.7 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -55.2 | 155.7 | -172.1 | -31.7 | 36.7 | 0 | 0 | 0 | 116.3 | E1080 G1116 | E1080-P1090 HydrophobicContact CG-CB 4.33Å; E1080-P1090 WeakPolarHBondContact O-CA 3.43Å; E1080-P1090 VanDerWaalsContact O-CB 3.27Å; E1080-P1090 WeakPolarHBondContact O-CB 3.38Å; P1090-G1116 WeakPolarHBondContact O-CA 3.2Å; P1090-G1116 PolarHBondContact O-N 2.96Å |
| 1091 | G | 89.4 | Confident | 82.9 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | trans | 94.9 | 91.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1079 E1080 G1115 G1116 W1117 | A1079-G1091 VanDerWaalsContact O-CA 3.28Å; A1079-G1091 WeakPolarHBondContact O-CA 3.39Å; A1079-G1091 PolarHBondContact O-N 3.09Å; E1080-G1091 PolarHBondContact O-N 2.96Å; E1080-G1091 VanDerWaalsContact O-N 3.14Å; G1091-G1115 PolarHBondContact O-N 3.35Å; G1091-G1116 PolarHBondContact O-N 3.21Å; G1091-W1117 VanDerWaalsContact CA-O 3.31Å; G1091-W1117 WeakPolarHBondContact CA-O 3.44Å; G1091-W1117 PolarHBondContact O-N 3.21Å; G1091-W1117 VanDerWaalsContact O-N 3.08Å | ||
| 1092 | S | 91.9 | Very high | 82.2 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.3 | 173.4 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | I1078 A1079 V1082 I1113 G1114 | I1078-S1092 CarbonylContact C-O 3.59Å; I1078-S1092 WeakPolarHBondContact CA-O 3.15Å; A1079-S1092 PolarHBondContact N-O 2.72Å; A1079-S1092 PolarHBondContact O-N 2.8Å; V1082-S1092 WeakPolarHBondContact CG2-OG 3.43Å; S1092-I1113 WeakPolarHBondContact CA-O 3.5Å; S1092-G1114 WeakPolarHBondContact OG-CA 3.27Å |
| 1093 | V | 93.9 | Very high | 82 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.3 | 176.8 | 178.9 | 0 | 0 | 0 | 0 | 110 | W749 W1076 I1078 G1112 I1113 W1117 I1120 | W749-V1093 HydrophobicContact CZ2-CG1 4.25Å; W1076-V1093 HydrophobicContact CE3-CG1 3.81Å; W1076-V1093 HydrophobicContact CZ3-CG1 3.88Å; I1078-V1093 HydrophobicContact CD1-CG2 3.93Å; V1093-G1112 WeakPolarHBondContact O-CA 3.3Å; V1093-G1112 PolarHBondContact O-N 2.79Å; V1093-I1113 HydrophobicContact CB-CG2 4.4Å; V1093-I1113 HydrophobicContact CG2-CG2 4.18Å; V1093-I1113 PolarHBondContact N-O 3.11Å; V1093-W1117 HydrophobicContact CG2-CB 4.39Å; V1093-W1117 HydrophobicContact CG2-CD2 3.76Å; V1093-W1117 HydrophobicContact CG2-CE3 3.32Å; V1093-W1117 HydrophobicContact CG2-CG 4.16Å; V1093-W1117 HydrophobicContact CG2-CZ3 3.96Å; V1093-I1120 HydrophobicContact CG1-CD1 3.61Å; V1093-I1120 HydrophobicContact CG2-CD1 4.46Å |
| 1094 | C | 93.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149 | 174.6 | -42.1 | 0 | 0 | 0 | 0 | 112.2 | W1076 I1077 W1109 D1110 Y1111 | W1076-C1094 WeakPolarHBondContact CA-O 3.32Å; I1077-C1094 HydrophobicContact CD1-CB 4.03Å; I1077-C1094 HydrophobicContact CG1-CB 3.66Å; I1077-C1094 PolarHBondContact N-O 3.32Å; I1077-C1094 PolarHBondContact O-N 2.72Å; C1094-W1109 HydrophobicContact CB-CE3 4.18Å; C1094-D1110 CarbonylContact C-O 3.58Å; C1094-D1110 WeakPolarHBondContact CA-O 3.16Å; C1094-D1110 VanDerWaalsContact CB-O 3.24Å; C1094-D1110 WeakPolarHBondContact CB-O 3.46Å; C1094-Y1111 HydrophobicContact CB-CD1 4.48Å; C1094-Y1111 WeakPolarHBondContact SG-CD1 3.49Å |
| 1095 | H | 92.9 | Very high | 82.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136 | 177 | -174.4 | -158.7 | 0 | 0 | 0 | 110.2 | E736 C744 V1075 W1076 L1097 D1110 | E736-H1095 IonicContact OE2-CE1 2.77Å; E736-H1095 PolarHBondContact OE2-CE1 3.1Å; E736-H1095 VanDerWaalsContact OE2-CE1 3.31Å; E736-H1095 IonicContact OE2-NE2 3.23Å; E736-H1095 PolarHBondContact OE2-NE2 3.42Å; C744-H1095 VanDerWaalsContact SG-CB 3.5Å; V1075-H1095 PolarHBondContact O-CD2 3.39Å; W1076-H1095 AromaticContact CD1-CD2 3.58Å; W1076-H1095 AromaticContact CD1-NE2 3.98Å; W1076-H1095 HydrophobicContact CD2-CB 4.07Å; W1076-H1095 AromaticContact CD2-CD2 3.92Å; W1076-H1095 AromaticContact CE2-CD2 3.3Å; W1076-H1095 AromaticContact CE2-CG 3.51Å; W1076-H1095 AromaticContact CE2-ND1 4Å; W1076-H1095 AromaticContact CE2-NE2 3.71Å; W1076-H1095 HydrophobicContact CE3-CB 4.08Å; W1076-H1095 HydrophobicContact CH2-CB 3.79Å; W1076-H1095 AromaticContact CH2-CG 3.96Å; W1076-H1095 HydrophobicContact CZ2-CB 3.78Å; W1076-H1095 AromaticContact CZ2-CD2 3.69Å; W1076-H1095 AromaticContact CZ2-CE1 3.86Å; W1076-H1095 AromaticContact CZ2-CG 3.43Å; W1076-H1095 VanDerWaalsContact CZ2-CG 3.43Å; W1076-H1095 AromaticContact CZ2-ND1 3.55Å; W1076-H1095 AromaticContact CZ2-NE2 3.96Å; W1076-H1095 HydrophobicContact CZ3-CB 3.94Å; W1076-H1095 AromaticContact NE1-CD2 3.06Å; W1076-H1095 PolarHBondContact NE1-CD2 3.04Å; W1076-H1095 AromaticContact NE1-CE1 3.93Å; W1076-H1095 AromaticContact NE1-CG 3.77Å; W1076-H1095 AromaticContact NE1-NE2 3.2Å; W1076-H1095 PolarHBondContact NE1-NE2 3.43Å; W1076-H1095 VanDerWaalsContact NE1-NE2 3.2Å; H1095-L1097 PolarHBondContact O-N 3.38Å; H1095-D1110 PolarHBondContact N-O 2.95Å; H1095-D1110 PolarHBondContact O-N 2.88Å |
| 1096 | R | 91.6 | Very high | 82.3 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 110.7 | 173 | -167.3 | 76.8 | -179.7 | 143.9 | 9.2 | 109.6 | V1075 V1099 K1105 G1106 L1107 S1108 W1109 | V1075-R1096 HydrophobicContact CB-CB 3.95Å; V1075-R1096 PolarHBondContact O-N 3.08Å; R1096-V1099 HydrophobicContact CB-CG2 3.69Å; R1096-V1099 HydrophobicContact CG-CG2 3.46Å; R1096-V1099 VanDerWaalsContact CG-CG2 3.46Å; R1096-V1099 WeakPolarHBondContact O-CG2 3.43Å; R1096-K1105 PolarHBondContact NE-O 3.13Å; R1096-G1106 VanDerWaalsContact NH2-C 3.35Å; R1096-G1106 PolarHBondContact NH2-O 3.39Å; R1096-L1107 PolarHBondContact NH1-O 2.87Å; R1096-L1107 PolarHBondContact NH2-O 2.98Å; R1096-S1108 CarbonylContact C-O 3.59Å; R1096-S1108 WeakPolarHBondContact CA-O 3.26Å; R1096-S1108 WeakPolarHBondContact CD-O 3.41Å; R1096-W1109 HydrophobicContact CB-CE3 3.97Å; R1096-W1109 HydrophobicContact CB-CH2 3.98Å; R1096-W1109 HydrophobicContact CB-CZ3 3.56Å; R1096-W1109 HydrophobicContact CG-CH2 4.36Å; R1096-W1109 HydrophobicContact CG-CZ3 4.3Å |
| 1097 | L | 88.3 | Confident | 83 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 151.3 | 177.2 | -61.3 | -174.4 | 0 | 0 | 0 | 111.6 | P741 H1095 V1099 L1107 S1108 D1110 | P741-L1097 HydrophobicContact CB-CD2 4.31Å; P741-L1097 HydrophobicContact CG-CD2 4.19Å; H1095-L1097 PolarHBondContact O-N 3.38Å; L1097-V1099 VanDerWaalsContact C-N 3.26Å; L1097-V1099 PolarHBondContact O-N 3.17Å; L1097-L1107 PolarHBondContact O-N 3.3Å; L1097-S1108 PolarHBondContact N-O 3.14Å; L1097-S1108 PolarHBondContact O-N 2.77Å; L1097-D1110 HydrophobicContact CD1-CB 4.02Å; L1097-D1110 HydrophobicContact CD2-CB 4.17Å; L1097-D1110 HydrophobicContact CG-CB 3.98Å |
| 1098 | G | 81.4 | Confident | 83.8 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 14.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G1100 | G1098-G1100 PolarHBondContact O-N 3.23Š|
| 1099 | V | 84.5 | Confident | 84.5 | Confident | 38 Ų | 38 | 40.5 Ų | 40.5 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | trans | -66.9 | 129.4 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | D1073 V1075 R1096 L1097 A1103 | D1073-V1099 WeakPolarHBondContact O-CG1 3.34Å; V1075-V1099 HydrophobicContact CG2-CG2 4.29Å; R1096-V1099 HydrophobicContact CB-CG2 3.69Å; R1096-V1099 HydrophobicContact CG-CG2 3.46Å; R1096-V1099 VanDerWaalsContact CG-CG2 3.46Å; R1096-V1099 WeakPolarHBondContact O-CG2 3.43Å; L1097-V1099 VanDerWaalsContact C-N 3.26Å; L1097-V1099 PolarHBondContact O-N 3.17Å; V1099-A1103 WeakPolarHBondContact CA-O 3.42Å | ||
| 1100 | G | 74.8 | Confident | 85 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -166.6 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1098 M1102 A1103 P1104 | G1098-G1100 PolarHBondContact O-N 3.23Å; G1100-M1102 VanDerWaalsContact C-N 3.25Å; G1100-M1102 PolarHBondContact O-N 3.19Å; G1100-A1103 PolarHBondContact N-O 3.31Å; G1100-A1103 VanDerWaalsContact N-O 3.15Å; G1100-A1103 CarbonylContact O-C 3.55Å; G1100-A1103 PolarHBondContact O-N 3.29Å; G1100-P1104 VanDerWaalsContact O-CA 3.32Å; G1100-P1104 WeakPolarHBondContact O-CA 3.39Å |
| 1101 | P | 67.8 | Low | 85.3 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 27% | 0.266 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -66.2 | -27.3 | -174.1 | 27 | -34 | 0 | 0 | 0 | 113.3 | V11 Y12 R351 V524 | V11-P1101 HydrophobicContact CG2-CB 3.59Å; Y12-P1101 HydrophobicContact CE2-CB 4.15Å; Y12-P1101 HydrophobicContact CE2-CG 4.15Å; Y12-P1101 WeakPolarHBondContact OH-CD 3.37Å; Y12-P1101 WeakPolarHBondContact OH-CG 3.41Å; R351-P1101 PolarHBondContact NE-O 2.9Å; V524-P1101 HydrophobicContact CB-CB 4.1Å; V524-P1101 HydrophobicContact CB-CG 4.29Å; V524-P1101 HydrophobicContact CG1-CB 3.98Å; V524-P1101 HydrophobicContact CG2-CB 4.27Å; V524-P1101 HydrophobicContact CG2-CG 3.96Å |
| 1102 | M | 68.8 | Low | 85.3 | Confident | 95 Ų | 95 | 36.7 Ų | 36.7 | 47% | 0.468 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -86.1 | -20.6 | 170.9 | -67.3 | -49.4 | -63 | 0 | 0 | 113.8 | D350 R351 V524 G1100 | D350-M1102 WeakPolarHBondContact O-CE 3.49Å; R351-M1102 HydrophobicContact CB-SD 4.02Å; R351-M1102 HydrophobicContact CG-SD 4.21Å; V524-M1102 HydrophobicContact CB-SD 4.29Å; V524-M1102 HydrophobicContact CG1-CG 4.41Å; V524-M1102 HydrophobicContact CG1-SD 3.5Å; V524-M1102 WeakPolarHBondContact CG1-SD 3.43Å; V524-M1102 HydrophobicContact CG2-CG 3.84Å; V524-M1102 HydrophobicContact CG2-SD 3.78Å; G1100-M1102 VanDerWaalsContact C-N 3.25Å; G1100-M1102 PolarHBondContact O-N 3.19Å |
| 1103 | A | 79.1 | Confident | 85.1 | Confident | 34 Ų | 34 | 36.8 Ų | 36.8 | 28% | 0.281 | 21% | 0.213 | S | C | . | . | trans | -134.7 | 63.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1099 G1100 K1105 G1106 | V1099-A1103 WeakPolarHBondContact CA-O 3.42Å; G1100-A1103 PolarHBondContact N-O 3.31Å; G1100-A1103 VanDerWaalsContact N-O 3.15Å; G1100-A1103 CarbonylContact O-C 3.55Å; G1100-A1103 PolarHBondContact O-N 3.29Å; A1103-K1105 PolarHBondContact O-N 2.96Å; A1103-G1106 PolarHBondContact O-N 3.3Å | ||
| 1104 | P | 79.1 | Confident | 84.6 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -14.1 | -171.1 | 26.2 | -35.9 | 0 | 0 | 0 | 113.7 | Y1043 G1100 | Y1043-P1104 HydrophobicContact CE1-CG 4.46Å; Y1043-P1104 HydrophobicContact CE2-CB 4.35Å; Y1043-P1104 WeakPolarHBondContact OH-CG 3.37Å; G1100-P1104 VanDerWaalsContact O-CA 3.32Å; G1100-P1104 WeakPolarHBondContact O-CA 3.39Å |
| 1105 | K | 84.2 | Confident | 83.8 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 34% | 0.335 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -18.5 | 175.9 | -50.8 | 178.9 | -160.8 | -175.9 | 0 | 113 | Y1043 E1058 I1060 R1096 A1103 | Y1043-K1105 HydrophobicContact CD1-CG 4.14Å; Y1043-K1105 HydrophobicContact CE1-CG 4.31Å; E1058-K1105 IonicContact OE1-NZ 3.64Å; E1058-K1105 PolarHBondContact OE1-NZ 3.39Å; E1058-K1105 WeakPolarHBondContact OE2-CD 3.46Å; E1058-K1105 WeakPolarHBondContact OE2-CE 3.22Å; E1058-K1105 IonicContact OE2-NZ 2.73Å; E1058-K1105 PolarHBondContact OE2-NZ 3.09Å; I1060-K1105 HydrophobicContact CD1-CB 4.02Å; I1060-K1105 HydrophobicContact CD1-CD 4Å; I1060-K1105 HydrophobicContact CD1-CG 3.96Å; R1096-K1105 PolarHBondContact NE-O 3.13Å; A1103-K1105 PolarHBondContact O-N 2.96Å |
| 1106 | G | 84.8 | Confident | 83.5 | Confident | 9 Ų | 9 | 38.3 Ų | 38.3 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | trans | 63.1 | 171.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114 | R1096 A1103 | R1096-G1106 VanDerWaalsContact NH2-C 3.35Å; R1096-G1106 PolarHBondContact NH2-O 3.39Å; A1103-G1106 PolarHBondContact O-N 3.3Å | ||
| 1107 | L | 84.3 | Confident | 83.5 | Confident | 126 Ų | 126 | 37.7 Ų | 37.7 | 66% | 0.66 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -99.2 | -55.2 | -174.7 | -60.3 | 175.6 | 0 | 0 | 0 | 112.2 | R1096 L1097 | R1096-L1107 PolarHBondContact NH1-O 2.87Å; R1096-L1107 PolarHBondContact NH2-O 2.98Å; L1097-L1107 PolarHBondContact O-N 3.3Å |
| 1108 | S | 88.4 | Confident | 83.6 | Confident | 52 Ų | 52 | 38.6 Ų | 38.6 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 174.9 | -170.6 | 63 | 0 | 0 | 0 | 0 | 112.7 | R1096 L1097 | R1096-S1108 CarbonylContact C-O 3.59Å; R1096-S1108 WeakPolarHBondContact CA-O 3.26Å; R1096-S1108 WeakPolarHBondContact CD-O 3.41Å; L1097-S1108 PolarHBondContact N-O 3.14Å; L1097-S1108 PolarHBondContact O-N 2.77Å |
| 1109 | W | 91.1 | Very high | 84.2 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.2 | 177.3 | -70 | 112.5 | 0 | 0 | 0 | 111.1 | L1041 S1061 V1075 I1077 C1094 R1096 Y1111 | L1041-W1109 HydrophobicContact CD2-CH2 3.86Å; L1041-W1109 HydrophobicContact CD2-CZ2 3.64Å; S1061-W1109 PolarHBondContact OG-NE1 2.92Å; V1075-W1109 HydrophobicContact CG1-CH2 4.41Å; I1077-W1109 HydrophobicContact CB-CH2 4.39Å; I1077-W1109 HydrophobicContact CB-CZ3 4.37Å; I1077-W1109 HydrophobicContact CD1-CD2 4.19Å; I1077-W1109 HydrophobicContact CD1-CE3 3.9Å; I1077-W1109 HydrophobicContact CD1-CH2 3.67Å; I1077-W1109 HydrophobicContact CD1-CZ2 3.94Å; I1077-W1109 HydrophobicContact CD1-CZ3 3.64Å; I1077-W1109 HydrophobicContact CG1-CE3 4.1Å; I1077-W1109 HydrophobicContact CG1-CH2 3.91Å; I1077-W1109 HydrophobicContact CG1-CZ3 3.58Å; I1077-W1109 HydrophobicContact CG2-CH2 3.6Å; I1077-W1109 HydrophobicContact CG2-CZ3 3.96Å; C1094-W1109 HydrophobicContact CB-CE3 4.18Å; R1096-W1109 HydrophobicContact CB-CE3 3.97Å; R1096-W1109 HydrophobicContact CB-CH2 3.98Å; R1096-W1109 HydrophobicContact CB-CZ3 3.56Å; R1096-W1109 HydrophobicContact CG-CH2 4.36Å; R1096-W1109 HydrophobicContact CG-CZ3 4.3Å; W1109-Y1111 HydrophobicContact CB-CD2 4.28Å; W1109-Y1111 HydrophobicContact CB-CE2 3.62Å |
| 1110 | D | 90.5 | Very high | 84.8 | Confident | 31 Ų | 31 | 35.6 Ų | 35.6 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.9 | 165.6 | -174.3 | 11 | 0 | 0 | 0 | 110 | A743 C744 C1094 H1095 L1097 | A743-D1110 WeakPolarHBondContact CA-OD2 3.37Å; C744-D1110 WeakPolarHBondContact CB-OD2 3.42Å; C744-D1110 PolarHBondContact N-OD2 3.27Å; C744-D1110 VanDerWaalsContact SG-CG 3.58Å; C744-D1110 PolarHBondContact SG-OD2 3.34Å; C1094-D1110 CarbonylContact C-O 3.58Å; C1094-D1110 WeakPolarHBondContact CA-O 3.16Å; C1094-D1110 VanDerWaalsContact CB-O 3.24Å; C1094-D1110 WeakPolarHBondContact CB-O 3.46Å; H1095-D1110 PolarHBondContact N-O 2.95Å; H1095-D1110 PolarHBondContact O-N 2.88Å; L1097-D1110 HydrophobicContact CD1-CB 4.02Å; L1097-D1110 HydrophobicContact CD2-CB 4.17Å; L1097-D1110 HydrophobicContact CG-CB 3.98Å |
| 1111 | Y | 90.3 | Very high | 85.8 | Confident | 61 Ų | 61 | 34.5 Ų | 34.5 | 24% | 0.239 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 98.7 | -169.2 | -72.1 | -96.9 | 0 | 0 | 0 | 110.4 | R678 V1082 P1083 C1094 W1109 | R678-Y1111 PolarHBondContact NH2-O 3.22Å; V1082-Y1111 HydrophobicContact CB-CD1 4.41Å; V1082-Y1111 HydrophobicContact CG1-CD1 3.95Å; V1082-Y1111 HydrophobicContact CG1-CE1 4.47Å; V1082-Y1111 HydrophobicContact CG1-CG 4.28Å; V1082-Y1111 HydrophobicContact CG2-CD1 4.1Å; P1083-Y1111 HydrophobicContact CG-CE1 4.4Å; C1094-Y1111 HydrophobicContact CB-CD1 4.48Å; C1094-Y1111 WeakPolarHBondContact SG-CD1 3.49Å; W1109-Y1111 HydrophobicContact CB-CD2 4.28Å; W1109-Y1111 HydrophobicContact CB-CE2 3.62Å |
| 1112 | G | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -77.3 | -150.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R678 C744 V1093 | R678-G1112 VanDerWaalsContact CZ-O 3.27Å; R678-G1112 PolarHBondContact NH1-O 2.89Å; R678-G1112 PolarHBondContact NH2-O 3.14Å; C744-G1112 WeakPolarHBondContact O-CA 3.42Å; V1093-G1112 WeakPolarHBondContact O-CA 3.3Å; V1093-G1112 PolarHBondContact O-N 2.79Å | ||
| 1113 | I | 89 | Confident | 88.2 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -59.6 | 138.7 | -178.4 | -171.7 | 158.7 | 0 | 0 | 0 | 112.8 | A655 Y670 S1092 V1093 W1117 | A655-I1113 HydrophobicContact CB-CD1 3.33Å; Y670-I1113 HydrophobicContact CD1-CD1 4.04Å; Y670-I1113 HydrophobicContact CD1-CG1 4.27Å; Y670-I1113 HydrophobicContact CD2-CD1 3.97Å; Y670-I1113 HydrophobicContact CE1-CD1 4.29Å; Y670-I1113 HydrophobicContact CE1-CG1 4.25Å; Y670-I1113 HydrophobicContact CE2-CD1 4.21Å; Y670-I1113 HydrophobicContact CG-CD1 3.89Å; S1092-I1113 WeakPolarHBondContact CA-O 3.5Å; V1093-I1113 HydrophobicContact CB-CG2 4.4Å; V1093-I1113 HydrophobicContact CG2-CG2 4.18Å; V1093-I1113 PolarHBondContact N-O 3.11Å; I1113-W1117 HydrophobicContact CB-CZ2 4.36Å; I1113-W1117 HydrophobicContact CD1-CZ2 3.83Å; I1113-W1117 HydrophobicContact CG1-CZ2 4.04Å; I1113-W1117 HydrophobicContact CG2-CD2 4.16Å; I1113-W1117 HydrophobicContact CG2-CE3 4.39Å; I1113-W1117 HydrophobicContact CG2-CH2 3.78Å; I1113-W1117 HydrophobicContact CG2-CZ2 3.44Å; I1113-W1117 VanDerWaalsContact CG2-CZ2 3.44Å; I1113-W1117 HydrophobicContact CG2-CZ3 4.21Å | ||
| 1114 | G | 84 | Confident | 88.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -116.8 | -168.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1088 S1092 W1117 | E1088-G1114 WeakPolarHBondContact OE1-CA 3.43Å; S1092-G1114 WeakPolarHBondContact OG-CA 3.27Å; G1114-W1117 PolarHBondContact O-NE1 2.73Å | ||
| 1115 | G | 76.1 | Confident | 89.2 | Confident | 31 Ų | 31 | 25.1 Ų | 25.1 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 90.7 | 45.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1089 G1091 | T1089-G1115 WeakPolarHBondContact OG1-CA 3.44Å; G1091-G1115 PolarHBondContact O-N 3.35Å |
| 1116 | G | 85.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 21.5 Ų | 21.5 | 8% | 0.082 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 106.2 | 30.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | S722 P1090 G1091 | S722-G1116 WeakPolarHBondContact CB-O 3.44Å; S722-G1116 PolarHBondContact N-O 3.12Å; S722-G1116 PolarHBondContact OG-O 2.64Å; P1090-G1116 WeakPolarHBondContact O-CA 3.2Å; P1090-G1116 PolarHBondContact O-N 2.96Å; G1091-G1116 PolarHBondContact O-N 3.21Å |
| 1117 | W | 91.6 | Very high | 89 | Confident | 10 Ų | 10 | 21.2 Ų | 21.2 | 4% | 0.038 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 140.9 | 176.4 | -65.1 | 62.3 | 0 | 0 | 0 | 110.3 | S719 M727 W749 I1078 G1091 V1093 I1113 G1114 | S719-W1117 VanDerWaalsContact OG-CZ3 3.32Å; S719-W1117 WeakPolarHBondContact OG-CZ3 3.48Å; M727-W1117 HydrophobicContact CB-CH2 3.68Å; M727-W1117 HydrophobicContact CB-CZ3 3.93Å; M727-W1117 HydrophobicContact CG-CH2 3.82Å; M727-W1117 HydrophobicContact CG-CZ2 4.3Å; M727-W1117 HydrophobicContact CG-CZ3 4.32Å; W749-W1117 HydrophobicContact CB-CH2 4.03Å; W749-W1117 AromaticContact CD2-CH2 3.53Å; W749-W1117 HydrophobicContact CD2-CH2 3.53Å; W749-W1117 AromaticContact CD2-CZ3 3.77Å; W749-W1117 HydrophobicContact CD2-CZ3 3.77Å; W749-W1117 AromaticContact CE3-CH2 3.78Å; W749-W1117 HydrophobicContact CE3-CH2 3.78Å; W749-W1117 AromaticContact CE3-CZ3 3.7Å; W749-W1117 HydrophobicContact CE3-CZ3 3.7Å; W749-W1117 AromaticContact CG-CH2 3.66Å; W749-W1117 HydrophobicContact CG-CH2 3.66Å; W749-W1117 HydrophobicContact CG-CZ2 4.5Å; W749-W1117 HydrophobicContact CG-CZ3 4.38Å; W749-W1117 HydrophobicContact CH2-CZ3 4.18Å; W749-W1117 HydrophobicContact CZ2-CZ3 4.24Å; W749-W1117 HydrophobicContact CZ3-CH2 4.46Å; W749-W1117 AromaticContact CZ3-CZ3 3.92Å; W749-W1117 HydrophobicContact CZ3-CZ3 3.92Å; I1078-W1117 HydrophobicContact CD1-CB 4.11Å; I1078-W1117 WeakPolarHBondContact CG2-O 3.44Å; G1091-W1117 VanDerWaalsContact CA-O 3.31Å; G1091-W1117 WeakPolarHBondContact CA-O 3.44Å; G1091-W1117 PolarHBondContact O-N 3.21Å; G1091-W1117 VanDerWaalsContact O-N 3.08Å; V1093-W1117 HydrophobicContact CG2-CB 4.39Å; V1093-W1117 HydrophobicContact CG2-CD2 3.76Å; V1093-W1117 HydrophobicContact CG2-CE3 3.32Å; V1093-W1117 HydrophobicContact CG2-CG 4.16Å; V1093-W1117 HydrophobicContact CG2-CZ3 3.96Å; I1113-W1117 HydrophobicContact CB-CZ2 4.36Å; I1113-W1117 HydrophobicContact CD1-CZ2 3.83Å; I1113-W1117 HydrophobicContact CG1-CZ2 4.04Å; I1113-W1117 HydrophobicContact CG2-CD2 4.16Å; I1113-W1117 HydrophobicContact CG2-CE3 4.39Å; I1113-W1117 HydrophobicContact CG2-CH2 3.78Å; I1113-W1117 HydrophobicContact CG2-CZ2 3.44Å; I1113-W1117 VanDerWaalsContact CG2-CZ2 3.44Å; I1113-W1117 HydrophobicContact CG2-CZ3 4.21Å; G1114-W1117 PolarHBondContact O-NE1 2.73Å |
| 1118 | E | 91.2 | Very high | 88.3 | Confident | 61 Ų | 61 | 19.6 Ų | 19.6 | 29% | 0.285 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -33.7 | -174.1 | -173 | 176.6 | 168 | 0 | 0 | 113.9 | T720 S722 K1066 | T720-E1118 PolarHBondContact O-N 2.82Å; S722-E1118 WeakPolarHBondContact CA-OE2 3.43Å; K1066-E1118 WeakPolarHBondContact CG-O 3.33Å |
| 1119 | H | 94.6 | Very high | 87 | Confident | 13 Ų | 13 | 19.7 Ų | 19.7 | 6% | 0.06 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.9 | 179.5 | -151 | -100.3 | 0 | 0 | 0 | 112.4 | S719 T720 C758 I759 | S719-H1119 WeakPolarHBondContact CA-O 3.35Å; S719-H1119 VanDerWaalsContact CB-O 3.28Å; S719-H1119 WeakPolarHBondContact CB-O 3.37Å; S719-H1119 PolarHBondContact OG-O 3.22Å; T720-H1119 PolarHBondContact N-O 2.7Å; T720-H1119 VanDerWaalsContact N-O 3.11Å; T720-H1119 PolarHBondContact O-N 3.29Å; T720-H1119 VanDerWaalsContact O-N 3.17Å; T720-H1119 WeakPolarHBondContact OG1-CB 3.35Å; C758-H1119 HydrophobicContact CB-CB 4.32Å; I759-H1119 PolarHBondContact O-CE1 3.05Å; I759-H1119 VanDerWaalsContact O-CE1 3.31Å; I759-H1119 PolarHBondContact O-ND1 3.37Å |
| 1120 | I | 95.9 | Very high | 85 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.015 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.5 | 169 | -172.1 | 161.6 | 0 | 0 | 0 | 110.5 | W718 W749 S1068 W1076 I1078 V1093 | W718-I1120 CarbonylContact O-C 3.01Å; W718-I1120 WeakPolarHBondContact O-CA 3.38Å; W749-I1120 HydrophobicContact CH2-CD1 4.18Å; S1068-I1120 WeakPolarHBondContact CB-O 3.43Å; S1068-I1120 PolarHBondContact OG-O 2.64Å; W1076-I1120 HydrophobicContact CB-CD1 4.23Å; W1076-I1120 HydrophobicContact CB-CG2 4.5Å; W1076-I1120 HydrophobicContact CD2-CD1 4.41Å; W1076-I1120 HydrophobicContact CE3-CD1 3.8Å; I1078-I1120 HydrophobicContact CD1-CB 4.03Å; I1078-I1120 HydrophobicContact CD1-CG2 3.97Å; I1078-I1120 HydrophobicContact CG1-CG2 4.11Å; V1093-I1120 HydrophobicContact CG1-CD1 3.61Å; V1093-I1120 HydrophobicContact CG2-CD1 4.46Å |
| 1121 | S | 96.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 107.7 | 172.7 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | W718 I759 E760 S761 S1068 | W718-S1121 PolarHBondContact N-O 2.82Å; W718-S1121 VanDerWaalsContact N-O 3.13Å; W718-S1121 PolarHBondContact O-N 2.9Å; I759-S1121 WeakPolarHBondContact O-CB 3.32Å; E760-S1121 WeakPolarHBondContact CA-OG 3.29Å; E760-S1121 VanDerWaalsContact OE1-CB 3.32Å; E760-S1121 WeakPolarHBondContact OE1-CB 3.48Å; E760-S1121 PolarHBondContact OE1-OG 3.47Å; S761-S1121 PolarHBondContact N-OG 3.34Å; S761-S1121 PolarHBondContact OG-O 3.42Å; S761-S1121 PolarHBondContact OG-OG 3.28Å; S1068-S1121 WeakPolarHBondContact OG-CA 3.29Å |
| 1122 | V | 94.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -92.5 | 0.5 | 171.9 | 65.2 | 0 | 0 | 0 | 0 | 112 | L717 S1068 Q1074 W1076 G1124 N1125 | L717-V1122 HydrophobicContact CD2-CB 4.5Å; L717-V1122 HydrophobicContact CD2-CG2 4.13Å; L717-V1122 HydrophobicContact CG-CB 4.44Å; L717-V1122 HydrophobicContact CG-CG2 4.11Å; S1068-V1122 PolarHBondContact OG-N 2.8Å; Q1074-V1122 HydrophobicContact CG-CG1 4.42Å; Q1074-V1122 HydrophobicContact CG-CG2 3.73Å; W1076-V1122 HydrophobicContact CB-CB 4.35Å; W1076-V1122 HydrophobicContact CB-CG1 4.16Å; W1076-V1122 HydrophobicContact CG-CB 4.06Å; W1076-V1122 HydrophobicContact CG-CG1 4.17Å; W1076-V1122 HydrophobicContact CG-CG2 4.21Å; V1122-G1124 PolarHBondContact O-N 3.43Å; V1122-N1125 HydrophobicContact CG2-CB 3.92Å; V1122-N1125 PolarHBondContact O-N 3.35Å | ||
| 1123 | R | 93 | Very high | 77.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.8 | -176 | -72.9 | 163.3 | 169.9 | -84.3 | -23 | 114.9 | E760 S761 S763 S926 L927 P929 S979 I980 S1026 V1027 V1069 | E760-R1123 WeakPolarHBondContact OE1-CD 3.33Å; E760-R1123 WeakPolarHBondContact OE2-CD 3.45Å; E760-R1123 IonicContact OE2-NE 3.22Å; E760-R1123 PolarHBondContact OE2-NE 3.27Å; S761-R1123 CarbonylContact O-C 3.57Å; S761-R1123 WeakPolarHBondContact O-CB 3.13Å; S763-R1123 PolarHBondContact OG-O 3.42Å; S926-R1123 PolarHBondContact OG-NH1 3.44Å; L927-R1123 PolarHBondContact O-NH1 2.89Å; P929-R1123 HydrophobicContact CB-CB 4.3Å; P929-R1123 HydrophobicContact CB-CG 4.35Å; S979-R1123 PolarHBondContact OG-NH2 2.81Å; I980-R1123 PolarHBondContact O-NH1 2.85Å; S1026-R1123 PolarHBondContact OG-NH2 3.38Å; V1027-R1123 PolarHBondContact O-NH2 3.17Å; V1069-R1123 VanDerWaalsContact O-CG 3.27Å; V1069-R1123 WeakPolarHBondContact O-CG 3.36Å |
| 1124 | G | 88.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -34.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q715 S761 S763 V1122 S1126 | Q715-G1124 WeakPolarHBondContact CA-O 3.19Å; S761-G1124 PolarHBondContact OG-N 3.18Å; S761-G1124 VanDerWaalsContact OG-N 3.11Å; S763-G1124 WeakPolarHBondContact CA-O 3.35Å; S763-G1124 WeakPolarHBondContact CB-O 3.24Å; S763-G1124 PolarHBondContact OG-O 2.97Å; V1122-G1124 PolarHBondContact O-N 3.43Å; G1124-S1126 PolarHBondContact O-N 2.87Å |
| 1125 | N | 90.6 | Very high | 71.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -78.6 | 89.7 | -164.8 | -169.7 | 23.3 | 0 | 0 | 0 | 114.3 | L717 E736 P1071 Q1074 V1122 A1127 | L717-N1125 HydrophobicContact CD1-CB 3.88Å; E736-N1125 PolarHBondContact OE1-ND2 2.53Å; P1071-N1125 WeakPolarHBondContact CD-O 3.3Å; P1071-N1125 VanDerWaalsContact CG-O 3.24Å; P1071-N1125 WeakPolarHBondContact CG-O 3.36Å; Q1074-N1125 PolarHBondContact NE2-O 2.68Å; V1122-N1125 HydrophobicContact CG2-CB 3.92Å; V1122-N1125 PolarHBondContact O-N 3.35Å; N1125-A1127 VanDerWaalsContact OD1-CB 3.25Å; N1125-A1127 WeakPolarHBondContact OD1-CB 3.34Å; N1125-A1127 PolarHBondContact OD1-N 3.08Å | ||
| 1126 | S | 85.2 | Confident | 69.6 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | trans | -101 | 22.6 | 173.2 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | S763 C930 T932 G1124 E1128 | S763-S1126 WeakPolarHBondContact CB-OG 3.23Å; S763-S1126 WeakPolarHBondContact OG-CB 3.27Å; S763-S1126 PolarHBondContact OG-OG 2.92Å; C930-S1126 WeakPolarHBondContact O-CB 3.42Å; T932-S1126 PolarHBondContact N-OG 3.16Å; T932-S1126 VanDerWaalsContact OG1-CB 3.3Å; T932-S1126 WeakPolarHBondContact OG1-CB 3.3Å; T932-S1126 PolarHBondContact OG1-O 3.41Å; T932-S1126 PolarHBondContact OG1-OG 2.87Å; G1124-S1126 PolarHBondContact O-N 2.87Å; S1126-E1128 PolarHBondContact O-N 3Å | ||
| 1127 | A | 79.8 | Confident | 67.1 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 34% | 0.337 | C | S | . | . | trans | -75.6 | 88.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L733 N1125 | L733-A1127 HydrophobicContact CD2-CB 4.12Å; N1125-A1127 VanDerWaalsContact OD1-CB 3.25Å; N1125-A1127 WeakPolarHBondContact OD1-CB 3.34Å; N1125-A1127 PolarHBondContact OD1-N 3.08Å | ||
| 1128 | E | 68.8 | Low | 64.3 | Low | 92 Ų | 92 | 61.8 Ų | 61.8 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | trans | -67.3 | 137.8 | 169.4 | -66.9 | -174.8 | 173.6 | 0 | 0 | 110.9 | L1072 S1126 | L1072-E1128 HydrophobicContact CD1-CG 4.22Å; L1072-E1128 HydrophobicContact CD2-CG 3.79Å; S1126-E1128 PolarHBondContact O-N 3Å | ||
| 1129 | P | 61.1 | Low | 61.6 | Low | 55 Ų | 55 | 61.9 Ų | 61.9 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | trans | -67.3 | 137 | 174 | 27.9 | -34.2 | 0 | 0 | 0 | 110.9 | A737 R1131 | A737-P1129 HydrophobicContact CB-CB 4.04Å; P1129-R1131 PolarHBondContact O-N 3.32Å | ||
| 1130 | L | 50.1 | Low | 58.8 | Low | 152 Ų | 152 | 67.4 Ų | 67.4 | 80% | 0.796 | 43% | 0.428 | S | S | * | . | trans | -63.1 | 107.1 | 179.8 | -75.6 | 168.9 | 0 | 0 | 0 | 111.2 | L733 G1132 | L733-L1130 HydrophobicContact CD1-CD1 4.4Å; L1130-G1132 VanDerWaalsContact C-N 3.35Å; L1130-G1132 PolarHBondContact O-N 3.21Å | ||
| 1131 | R | 45.1 | Very low | 55.7 | Low | 204 Ų | 204 | 72.7 Ų | 72.7 | 77% | 0.77 | 47% | 0.465 | S | S | * | . | trans | -64.3 | 95.7 | 162.3 | -66.7 | -175.2 | 178.1 | -143.1 | -6.1 | 108.1 | P1129 | P1129-R1131 PolarHBondContact O-N 3.32Š| ||
| 1132 | G | 31.8 | Very low | 52.7 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 148.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1130 V1134 | L1130-G1132 VanDerWaalsContact C-N 3.35Å; L1130-G1132 PolarHBondContact O-N 3.21Å; G1132-V1134 PolarHBondContact O-N 3.17Å |
| 1133 | P | 27.8 | Very low | 49.7 | Very low | 124 Ų | 124 | 89.6 Ų | 89.6 | 81% | 0.805 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 132.8 | 172.8 | 28.5 | -33.7 | 0 | 0 | 0 | 109.8 | P1135 | P1133-P1135 WeakPolarHBondContact O-CD 3.24Š|
| 1134 | V | 30.8 | Very low | 46.8 | Very low | 110 Ų | 110 | 95.7 Ų | 95.7 | 67% | 0.667 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120 | 172.8 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | G1132 | G1132-V1134 PolarHBondContact O-N 3.17Š|
| 1135 | P | 28.3 | Very low | 44.1 | Very low | 106 Ų | 106 | 100.1 Ų | 100.1 | 69% | 0.688 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135.2 | 172 | 27.5 | -32.9 | 0 | 0 | 0 | 108.3 | P1133 | P1133-P1135 WeakPolarHBondContact O-CD 3.24Š|
| 1136 | P | 30.4 | Very low | 41.2 | Very low | 114 Ų | 114 | 108.4 Ų | 108.4 | 74% | 0.74 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.3 | -175.9 | 24 | -34 | 0 | 0 | 0 | 110.1 | G1138 | P1136-G1138 PolarHBondContact O-N 3.1Å; P1136-G1138 VanDerWaalsContact O-N 3.08Å |
| 1137 | P | 34.5 | Very low | 38.8 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 120.4 | -175.7 | 22.5 | -33.3 | 0 | 0 | 0 | 109.5 | G1139 | P1137-G1139 PolarHBondContact O-N 3.2Š|
| 1138 | G | 32.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | -57 | 111.6 | -173 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1136 | P1136-G1138 PolarHBondContact O-N 3.1Å; P1136-G1138 VanDerWaalsContact O-N 3.08Å | ||
| 1139 | G | 34.7 | Very low | 34.9 | Very low | 63 Ų | 63 | 130.1 Ų | 130.1 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P1137 S1141 | P1137-G1139 PolarHBondContact O-N 3.2Å; G1139-S1141 PolarHBondContact O-N 3.27Å |
| 1140 | P | 34.2 | Very low | 33.6 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 126 | -170.2 | 21.3 | -33.4 | 0 | 0 | 0 | 111 | R1142 | P1140-R1142 PolarHBondContact O-N 3.43Å; P1140-R1142 VanDerWaalsContact O-N 3.1Å |
| 1141 | S | 31.1 | Very low | 32.7 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55 | 116.2 | -176.9 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | G1139 S1143 | G1139-S1141 PolarHBondContact O-N 3.27Å; S1141-S1143 PolarHBondContact O-N 3.4Å |
| 1142 | R | 32.8 | Very low | 32.2 | Very low | 246 Ų | 246 | 133.1 Ų | 133.1 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 129.1 | 174.7 | -83.7 | -176.7 | 168.8 | 180 | -3.1 | 109.9 | P1140 | P1140-R1142 PolarHBondContact O-N 3.43Å; P1140-R1142 VanDerWaalsContact O-N 3.1Å |
| 1143 | S | 32.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 138.5 | 175.9 | -35.9 | 0 | 0 | 0 | 0 | 110.8 | S1141 A1145 | S1141-S1143 PolarHBondContact O-N 3.4Å; S1143-A1145 PolarHBondContact O-N 3.22Å |
| 1144 | P | 32.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 123.3 | 178.9 | 25.7 | -33.5 | 0 | 0 | 0 | 110.3 | L1146 | P1144-L1146 PolarHBondContact O-N 3.49Š|
| 1145 | A | 30.8 | Very low | 32.5 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S1143 Q1147 | S1143-A1145 PolarHBondContact O-N 3.22Å; A1145-Q1147 PolarHBondContact O-N 3.13Å; A1145-Q1147 VanDerWaalsContact O-N 3.13Å |
| 1146 | L | 31 | Very low | 32.8 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 91% | 0.911 | 84% | 0.844 | S | S | * | * | trans | -64.3 | 110.1 | 176.8 | -80.6 | 160.4 | 0 | 0 | 0 | 110.8 | P1144 R1148 | P1144-L1146 PolarHBondContact O-N 3.49Å; L1146-R1148 PolarHBondContact O-N 3.46Å | ||
| 1147 | Q | 33.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 142.8 Ų | 142.8 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | trans | -67.2 | 127.9 | 165.3 | -72 | -175.9 | -18.9 | 0 | 0 | 110 | A1145 | A1145-Q1147 PolarHBondContact O-N 3.13Å; A1145-Q1147 VanDerWaalsContact O-N 3.13Å | ||
| 1148 | R | 31.9 | Very low | 32.8 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.917 | 86% | 0.855 | S | S | * | * | trans | -110.6 | 141.8 | 155.1 | -90.7 | -173.9 | 169 | -176.5 | -2.5 | 108.8 | L1146 | L1146-R1148 PolarHBondContact O-N 3.46Š| ||
| 1149 | P | 36 | Very low | 32.8 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 86% | 0.857 | S | S | * | * | trans | -88.4 | 146.1 | -163.8 | 33.7 | -36.5 | 0 | 0 | 0 | 114.8 | ||||
| 1150 | A | 33.4 | Very low | 32.7 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 86% | 0.86 | 87% | 0.873 | S | S | * | * | trans | 42.1 | 125.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1151 | A | 31.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 157.6 Ų | 157.6 | 79% | 0.785 | 88% | 0.876 | S | S | * | * | trans | -154.5 | 135.4 | 130.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1152 | Q | 33.4 | Very low | 32.7 | Very low | 274 Ų | 274 | 161.5 Ų | 161.5 | 100% | 1.28 | 88% | 0.884 | S | S | * | * | trans | 63.3 | 0 | 173.3 | -58.5 | -171.9 | -1.9 | 0 | 0 | 116.4 |
Retrieved 1,152 of 1,152 residues in 1932.3 ms
(Link to these results)