| 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 | 25.3 | Very low | 52.9 | Low | 242 Ų | 242 | 123.7 Ų | 123.7 | 100% | 1.192 | 71% | 0.707 | S | S | * | * | 0 | 89.4 | 0 | -75.3 | -155.5 | -64.2 | 0 | 0 | 109.3 | |||||
| 2 | L | 32.5 | Very low | 55.4 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 56% | 0.56 | 71% | 0.713 | S | S | * | * | trans | -121.8 | 116.5 | 152.5 | -89.7 | 154.7 | 0 | 0 | 0 | 101.5 | G4 | L2-G4 PolarHBondContact O-N 2.84Å; L2-G4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | S | 34.2 | Very low | 57.5 | Low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | trans | -45.4 | 126.8 | 169.6 | 40.5 | 0 | 0 | 0 | 0 | 107 | Q5 | S3-Q5 PolarHBondContact O-N 3.4Š| ||
| 4 | G | 37.2 | Very low | 59.7 | Low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | trans | -67.3 | 55 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2 S6 | L2-G4 PolarHBondContact O-N 2.84Å; L2-G4 VanDerWaalsContact O-N 3.16Å; G4-S6 PolarHBondContact O-N 3.27Å | ||
| 5 | Q | 43.9 | Very low | 61.8 | Low | 159 Ų | 159 | 113.1 Ų | 113.1 | 74% | 0.743 | 64% | 0.64 | S | S | * | * | trans | -63.1 | 95.1 | 160.8 | -74 | -171.7 | -16.5 | 0 | 0 | 105.1 | S3 L7 | S3-Q5 PolarHBondContact O-N 3.4Å; Q5-L7 PolarHBondContact O-N 3.26Å | ||
| 6 | S | 51.8 | Low | 63.7 | Low | 104 Ų | 104 | 106.6 Ų | 106.6 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -47.1 | 127 | 165.5 | 50.8 | 0 | 0 | 0 | 0 | 107.4 | G4 E8 | G4-S6 PolarHBondContact O-N 3.27Å; S6-E8 PolarHBondContact O-N 3.2Å | ||
| 7 | L | 62.7 | Low | 65 | Low | 127 Ų | 127 | 105.2 Ų | 105.2 | 67% | 0.665 | 60% | 0.598 | S | S | * | * | trans | -57.2 | 114.3 | 168 | -72 | 164.3 | 0 | 0 | 0 | 107.1 | Q5 | Q5-L7 PolarHBondContact O-N 3.26Š| ||
| 8 | E | 70.1 | Confident | 66.2 | Low | 152 Ų | 152 | 105.3 Ų | 105.3 | 71% | 0.71 | 61% | 0.605 | S | S | * | * | trans | -83.7 | 131.5 | 176.2 | -170.7 | -176.5 | 169.7 | 0 | 0 | 109.1 | S6 L10 | S6-E8 PolarHBondContact O-N 3.2Å; E8-L10 PolarHBondContact O-N 2.96Å; E8-L10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | V | 73.5 | Confident | 67.6 | Low | 116 Ų | 116 | 101.4 Ų | 101.4 | 70% | 0.703 | 58% | 0.582 | S | S | * | * | trans | -73.7 | 101.4 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | L | 74.4 | Confident | 68.8 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | trans | -69 | -33.8 | 179.1 | -63.1 | 179.9 | 0 | 0 | 0 | 113 | E8 | E8-L10 PolarHBondContact O-N 2.96Å; E8-L10 VanDerWaalsContact O-N 3.07Å | ||
| 11 | T | 76.5 | Confident | 69.9 | Low | 64 Ų | 64 | 101.3 Ų | 101.3 | 39% | 0.393 | 58% | 0.577 | S | S | . | * | trans | -159.1 | 146 | -178.6 | -175 | 0 | 0 | 0 | 0 | 110.5 | F13 L53 | T11-F13 HydrophobicContact CG2-CD1 4.38Å; T11-F13 HydrophobicContact CG2-CE1 3.81Å; T11-F13 WeakPolarHBondContact OG1-CD1 3.24Å; T11-L53 HydrophobicContact CG2-CD1 3.98Å; T11-L53 HydrophobicContact CG2-CG 4.25Å | ||
| 12 | S | 82.2 | Confident | 73.1 | Confident | 111 Ų | 111 | 94.1 Ų | 94.1 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | trans | -138.6 | 134.1 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | F | 83.4 | Confident | 75.9 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | trans | -158.2 | 155.9 | 179.2 | 48.6 | -95.1 | 0 | 0 | 0 | 111 | T11 V15 L53 L55 | T11-F13 HydrophobicContact CG2-CD1 4.38Å; T11-F13 HydrophobicContact CG2-CE1 3.81Å; T11-F13 WeakPolarHBondContact OG1-CD1 3.24Å; F13-V15 HydrophobicContact CD2-CG2 4.21Å; F13-V15 HydrophobicContact CE2-CG2 4.03Å; F13-V15 PolarHBondContact O-N 2.72Å; F13-L53 HydrophobicContact CE1-CB 3.74Å; F13-L53 HydrophobicContact CE1-CD1 3.91Å; F13-L53 HydrophobicContact CE1-CG 4.38Å; F13-L53 HydrophobicContact CZ-CB 3.67Å; F13-L53 HydrophobicContact CZ-CD1 3.7Å; F13-L53 HydrophobicContact CZ-CG 4.33Å; F13-L55 HydrophobicContact CD2-CD1 3.55Å; F13-L55 HydrophobicContact CD2-CG 4.28Å; F13-L55 HydrophobicContact CE2-CD1 3.53Å; F13-L55 HydrophobicContact CE2-CD2 4.28Å; F13-L55 HydrophobicContact CE2-CG 3.83Å | ||
| 14 | Q | 87.9 | Confident | 78.7 | Confident | 139 Ų | 139 | 89.4 Ų | 89.4 | 65% | 0.65 | 52% | 0.515 | S | S | * | . | trans | -77.6 | 115.9 | 175.2 | -174.4 | 174.7 | 15.6 | 0 | 0 | 110.7 | F16 P17 | Q14-F16 WeakPolarHBondContact CG-O 3.27Å; Q14-F16 PolarHBondContact NE2-O 2.81Å; Q14-P17 PolarHBondContact NE2-O 2.9Å | ||
| 15 | V | 91.4 | Very high | 81.3 | Confident | 11 Ų | 11 | 86.1 Ų | 86.1 | 7% | 0.067 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -76.5 | -46.7 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | F13 I21 C33 R40 L55 | F13-V15 HydrophobicContact CD2-CG2 4.21Å; F13-V15 HydrophobicContact CE2-CG2 4.03Å; F13-V15 PolarHBondContact O-N 2.72Å; V15-I21 HydrophobicContact CB-CD1 3.87Å; V15-I21 HydrophobicContact CB-CG1 4.46Å; V15-I21 HydrophobicContact CG2-CD1 3.67Å; V15-C33 HydrophobicContact CG1-CB 3.6Å; V15-R40 HydrophobicContact CG1-CB 4.26Å; V15-R40 VanDerWaalsContact O-CD 3.3Å; V15-R40 WeakPolarHBondContact O-CD 3.01Å; V15-R40 PolarHBondContact O-NH1 2.77Å; V15-L55 HydrophobicContact CG2-CD1 4.48Å |
| 16 | F | 92.8 | Very high | 83.6 | Confident | 9 Ų | 9 | 83.9 Ų | 83.9 | 4% | 0.039 | 47% | 0.472 | C | S | . | . | trans | -122.6 | 139.7 | -178.1 | -53 | -55.8 | 0 | 0 | 0 | 111 | Q14 D19 I21 C33 S38 R40 T59 | Q14-F16 WeakPolarHBondContact CG-O 3.27Å; Q14-F16 PolarHBondContact NE2-O 2.81Å; F16-D19 HydrophobicContact CB-CB 3.98Å; F16-D19 HydrophobicContact CD2-CB 4.16Å; F16-D19 HydrophobicContact CG-CB 4.19Å; F16-I21 HydrophobicContact CD2-CG1 3.85Å; F16-I21 HydrophobicContact CE2-CG1 3.87Å; F16-C33 HydrophobicContact CZ-CB 4.29Å; F16-S38 WeakPolarHBondContact CZ-O 3.25Å; F16-R40 HydrophobicContact CD1-CB 4.39Å; F16-R40 HydrophobicContact CE1-CB 3.69Å; F16-T59 HydrophobicContact CD1-CG2 3.83Å; F16-T59 HydrophobicContact CE1-CG2 4.18Å | ||
| 17 | P | 85.6 | Confident | 85.4 | Confident | 82 Ų | 82 | 81 Ų | 81 | 53% | 0.532 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -66.7 | -38.7 | 176.4 | 23.3 | -30.6 | 0 | 0 | 0 | 112.8 | Q14 | Q14-P17 PolarHBondContact NE2-O 2.9Š|
| 18 | C | 86.6 | Confident | 86.5 | Confident | 108 Ų | 108 | 78.3 Ų | 78.3 | 73% | 0.73 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -148.5 | 53.2 | -174.5 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 19 | D | 92.6 | Very high | 87.5 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.16 | 46% | 0.456 | C | S | . | . | trans | -151.8 | 149.1 | 173.8 | -157 | -6.3 | 0 | 0 | 0 | 110 | F16 N36 R37 S38 | F16-D19 HydrophobicContact CB-CB 3.98Å; F16-D19 HydrophobicContact CD2-CB 4.16Å; F16-D19 HydrophobicContact CG-CB 4.19Å; D19-N36 WeakPolarHBondContact OD1-CB 3.18Å; D19-N36 PolarHBondContact OD1-N 2.83Å; D19-N36 VanDerWaalsContact OD1-N 3.09Å; D19-N36 PolarHBondContact OD1-ND2 2.92Å; D19-N36 PolarHBondContact OD2-N 3.48Å; D19-R37 PolarHBondContact OD2-N 2.83Å; D19-S38 WeakPolarHBondContact OD2-CB 3.26Å; D19-S38 PolarHBondContact OD2-N 2.98Å; D19-S38 PolarHBondContact OD2-OG 3.34Å | ||
| 20 | N | 91.8 | Very high | 88.3 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | trans | -74.3 | 157.7 | 175.5 | -70.3 | -23.3 | 0 | 0 | 0 | 110 | G35 | N20-G35 WeakPolarHBondContact O-CA 3.27Š| ||
| 21 | I | 91.4 | Very high | 89.2 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 121.7 | 172.7 | -58.2 | 170 | 0 | 0 | 0 | 108 | V15 F16 | V15-I21 HydrophobicContact CB-CD1 3.87Å; V15-I21 HydrophobicContact CB-CG1 4.46Å; V15-I21 HydrophobicContact CG2-CD1 3.67Å; F16-I21 HydrophobicContact CD2-CG1 3.85Å; F16-I21 HydrophobicContact CE2-CG1 3.87Å |
| 22 | H | 91.6 | Very high | 90.1 | Very high | 92 Ų | 92 | 68.9 Ų | 68.9 | 43% | 0.426 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -24.4 | 176.7 | -77.3 | -53.1 | 0 | 0 | 0 | 113.3 | F34 N36 W65 | H22-F34 HydrophobicContact CB-CD2 4.18Å; H22-F34 HydrophobicContact CB-CE2 3.93Å; H22-F34 PolarHBondContact N-O 3.25Å; H22-N36 PolarHBondContact CD2-OD1 3.11Å; H22-N36 PolarHBondContact NE2-OD1 2.73Å; H22-W65 AromaticContact CD2-NE1 3.68Å; H22-W65 AromaticContact NE2-CE2 3.88Å; H22-W65 AromaticContact NE2-CZ2 3.56Å; H22-W65 AromaticContact NE2-NE1 3.65Å |
| 23 | G | 92.3 | Very high | 90.8 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 176.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C33 F34 | G23-C33 WeakPolarHBondContact O-CA 3.26Å; G23-F34 VanDerWaalsContact CA-CE1 3.47Å; G23-F34 PolarHBondContact N-O 3.11Å; G23-F34 WeakPolarHBondContact O-CD1 3.41Å; G23-F34 PolarHBondContact O-N 3.33Å |
| 24 | V | 93.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.9 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 109 | I26 F31 C32 | V24-I26 HydrophobicContact CG2-CG1 4.18Å; V24-F31 HydrophobicContact CG2-CB 4.41Å; V24-F31 HydrophobicContact CG2-CD2 4.26Å; V24-C32 CarbonylContact C-O 3.51Å; V24-C32 WeakPolarHBondContact CA-O 3.18Å |
| 25 | S | 92.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.3 | 172.3 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | F31 C32 T69 I71 | S25-F31 CarbonylContact O-C 3.53Å; S25-F31 WeakPolarHBondContact O-CA 3.44Å; S25-C32 PolarHBondContact N-O 2.93Å; S25-C32 PolarHBondContact O-N 2.94Å; S25-T69 WeakPolarHBondContact CB-OG1 3.13Å; S25-T69 VanDerWaalsContact OG-C 3.24Å; S25-T69 PolarHBondContact OG-O 3.36Å; S25-T69 PolarHBondContact OG-OG1 2.65Å; S25-I71 WeakPolarHBondContact O-CD1 3.39Å |
| 26 | I | 90.7 | Very high | 91.9 | Very high | 112 Ų | 112 | 55 Ų | 55 | 57% | 0.574 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.5 | -176.2 | -54.8 | 175.7 | 0 | 0 | 0 | 108.1 | V24 F31 I44 | V24-I26 HydrophobicContact CG2-CG1 4.18Å; I26-F31 HydrophobicContact CG1-CB 4.05Å; I26-I44 HydrophobicContact CG2-CD1 3.97Å |
| 27 | S | 89.6 | Confident | 92.1 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 31% | 0.308 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 107.6 | 174.2 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | R29 L30 | S27-R29 PolarHBondContact O-N 2.72Å; S27-L30 PolarHBondContact N-O 3.46Å; S27-L30 PolarHBondContact O-N 2.9Å |
| 28 | G | 87.1 | Confident | 92.6 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | -119 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 29 | R | 89.4 | Confident | 93 | Very high | 196 Ų | 196 | 52.1 Ų | 52.1 | 74% | 0.74 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -4.7 | 176.6 | -64.6 | -173.8 | -176.3 | 174.8 | 1.1 | 113.7 | S27 I43 I44 | S27-R29 PolarHBondContact O-N 2.72Å; R29-I43 CarbonylContact O-C 3.59Å; R29-I43 VanDerWaalsContact O-CA 3.22Å; R29-I43 WeakPolarHBondContact O-CA 3.24Å; R29-I44 PolarHBondContact O-N 2.75Å |
| 30 | L | 92.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.2 | 178.5 | -75 | 153.9 | 0 | 0 | 0 | 109.7 | S27 G42 I43 F56 I71 | S27-L30 PolarHBondContact N-O 3.46Å; S27-L30 PolarHBondContact O-N 2.9Å; L30-G42 WeakPolarHBondContact CA-O 3.26Å; L30-I43 HydrophobicContact CD2-CG2 3.82Å; L30-I43 HydrophobicContact CG-CG2 4.49Å; L30-F56 HydrophobicContact CD2-CE2 4.18Å; L30-F56 HydrophobicContact CD2-CZ 4.12Å; L30-I71 HydrophobicContact CB-CD1 4.16Å; L30-I71 HydrophobicContact CB-CG2 4.35Å |
| 31 | F | 93.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.9 | 167.6 | 73.6 | -86.1 | 0 | 0 | 0 | 110.6 | V24 S25 I26 A41 G42 I44 L53 L55 | V24-F31 HydrophobicContact CG2-CB 4.41Å; V24-F31 HydrophobicContact CG2-CD2 4.26Å; S25-F31 CarbonylContact O-C 3.53Å; S25-F31 WeakPolarHBondContact O-CA 3.44Å; I26-F31 HydrophobicContact CG1-CB 4.05Å; F31-A41 CarbonylContact O-C 3.55Å; F31-A41 VanDerWaalsContact O-CA 3.24Å; F31-A41 WeakPolarHBondContact O-CA 3.41Å; F31-G42 WeakPolarHBondContact CD1-O 3.5Å; F31-G42 VanDerWaalsContact CE1-C 3.42Å; F31-G42 PolarHBondContact N-O 3.02Å; F31-G42 PolarHBondContact O-N 3.33Å; F31-I44 HydrophobicContact CD1-CG1 3.81Å; F31-I44 HydrophobicContact CE1-CG1 4.48Å; F31-L53 HydrophobicContact CD1-CD2 4.25Å; F31-L53 HydrophobicContact CE1-CB 4.17Å; F31-L53 HydrophobicContact CE1-CD2 3.9Å; F31-L53 HydrophobicContact CZ-CB 4.21Å; F31-L53 HydrophobicContact CZ-CD2 4.46Å; F31-L55 HydrophobicContact CE2-CD2 3.58Å; F31-L55 HydrophobicContact CZ-CD2 3.55Å; F31-L55 HydrophobicContact CZ-CG 4.31Å |
| 32 | C | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 117 | 178.1 | -179 | 0 | 0 | 0 | 0 | 108.1 | V24 S25 I71 | V24-C32 CarbonylContact C-O 3.51Å; V24-C32 WeakPolarHBondContact CA-O 3.18Å; S25-C32 PolarHBondContact N-O 2.93Å; S25-C32 PolarHBondContact O-N 2.94Å; C32-I71 HydrophobicContact CB-CD1 3.92Å; C32-I71 HydrophobicContact CB-CG1 4.03Å |
| 33 | C | 96 | Very high | 93.3 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.3 | 170 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | V15 F16 G23 F39 R40 | V15-C33 HydrophobicContact CG1-CB 3.6Å; F16-C33 HydrophobicContact CZ-CB 4.29Å; G23-C33 WeakPolarHBondContact O-CA 3.26Å; C33-F39 CarbonylContact O-C 3.55Å; C33-F39 VanDerWaalsContact O-CA 3.26Å; C33-F39 WeakPolarHBondContact O-CA 3.38Å; C33-R40 PolarHBondContact N-O 2.94Å; C33-R40 PolarHBondContact O-N 3.44Å |
| 34 | F | 96.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.6 | 176.5 | 65.4 | -86.6 | 0 | 0 | 0 | 111.5 | H22 G23 S38 F39 I66 L67 T69 | H22-F34 HydrophobicContact CB-CD2 4.18Å; H22-F34 HydrophobicContact CB-CE2 3.93Å; H22-F34 PolarHBondContact N-O 3.25Å; G23-F34 VanDerWaalsContact CA-CE1 3.47Å; G23-F34 PolarHBondContact N-O 3.11Å; G23-F34 WeakPolarHBondContact O-CD1 3.41Å; G23-F34 PolarHBondContact O-N 3.33Å; F34-S38 CarbonylContact C-O 3.57Å; F34-S38 WeakPolarHBondContact CA-O 3.4Å; F34-F39 HydrophobicContact CB-CB 4.11Å; F34-I66 HydrophobicContact CB-CD1 4.4Å; F34-I66 HydrophobicContact CB-CG2 4.05Å; F34-I66 HydrophobicContact CD2-CB 4.23Å; F34-I66 HydrophobicContact CD2-CG2 3.66Å; F34-I66 HydrophobicContact CE2-CG2 4.36Å; F34-I66 HydrophobicContact CG-CG2 4.04Å; F34-L67 WeakPolarHBondContact CE2-O 3.25Å; F34-T69 HydrophobicContact CB-CG2 3.6Å; F34-T69 HydrophobicContact CD1-CG2 3.53Å; F34-T69 WeakPolarHBondContact CD1-OG1 3.43Å; F34-T69 HydrophobicContact CD2-CG2 4.44Å; F34-T69 HydrophobicContact CE1-CG2 4.26Å; F34-T69 HydrophobicContact CG-CG2 3.62Å |
| 35 | G | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -152.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N20 S38 | N20-G35 WeakPolarHBondContact O-CA 3.27Å; G35-S38 PolarHBondContact N-O 3.3Å |
| 36 | N | 95.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -60.5 | -54.8 | 176.7 | -58.3 | -29.8 | 0 | 0 | 0 | 109.2 | D19 H22 W65 I66 | D19-N36 WeakPolarHBondContact OD1-CB 3.18Å; D19-N36 PolarHBondContact OD1-N 2.83Å; D19-N36 VanDerWaalsContact OD1-N 3.09Å; D19-N36 PolarHBondContact OD1-ND2 2.92Å; D19-N36 PolarHBondContact OD2-N 3.48Å; H22-N36 PolarHBondContact CD2-OD1 3.11Å; H22-N36 PolarHBondContact NE2-OD1 2.73Å; N36-W65 HydrophobicContact CB-CD2 3.97Å; N36-W65 HydrophobicContact CB-CE3 4.15Å; N36-W65 HydrophobicContact CB-CH2 3.94Å; N36-W65 HydrophobicContact CB-CZ2 3.76Å; N36-W65 HydrophobicContact CB-CZ3 4.13Å; N36-W65 VanDerWaalsContact CG-CH2 3.49Å; N36-W65 CarbonylContact O-C 3.55Å; N36-W65 WeakPolarHBondContact O-CA 3.3Å; N36-W65 WeakPolarHBondContact OD1-CH2 3.38Å; N36-W65 WeakPolarHBondContact OD1-CZ2 3.13Å; N36-I66 PolarHBondContact O-N 3.39Å |
| 37 | R | 95.7 | Very high | 91.5 | Very high | 128 Ų | 128 | 46.2 Ų | 46.2 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -138.4 | 9.8 | -175.9 | -60.6 | -173.9 | -173.2 | 178.7 | 1.2 | 113.1 | D19 R61 T62 | D19-R37 PolarHBondContact OD2-N 2.83Å; R37-R61 CarbonylContact O-C 3.53Å; R37-R61 VanDerWaalsContact O-CA 3.26Å; R37-R61 WeakPolarHBondContact O-CA 3.26Å; R37-T62 PolarHBondContact O-N 2.97Å; R37-T62 PolarHBondContact O-OG1 3.25Å |
| 38 | S | 96.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.4 | -179.5 | -48.8 | 0 | 0 | 0 | 0 | 110.3 | F16 D19 F34 G35 H60 | F16-S38 WeakPolarHBondContact CZ-O 3.25Å; D19-S38 WeakPolarHBondContact OD2-CB 3.26Å; D19-S38 PolarHBondContact OD2-N 2.98Å; D19-S38 PolarHBondContact OD2-OG 3.34Å; F34-S38 CarbonylContact C-O 3.57Å; F34-S38 WeakPolarHBondContact CA-O 3.4Å; G35-S38 PolarHBondContact N-O 3.3Å; S38-H60 CarbonylContact C-O 3.51Å; S38-H60 VanDerWaalsContact CA-O 3.26Å; S38-H60 WeakPolarHBondContact CA-O 3.16Å |
| 39 | F | 95.8 | Very high | 89.7 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.9 | 167.6 | 72.4 | -82.5 | 0 | 0 | 0 | 110.8 | C33 F34 H60 T62 I66 L79 F89 | C33-F39 CarbonylContact O-C 3.55Å; C33-F39 VanDerWaalsContact O-CA 3.26Å; C33-F39 WeakPolarHBondContact O-CA 3.38Å; F34-F39 HydrophobicContact CB-CB 4.11Å; F39-H60 HydrophobicContact CD1-CB 3.8Å; F39-H60 HydrophobicContact CD2-CB 4.29Å; F39-H60 HydrophobicContact CE1-CB 3.29Å; F39-H60 HydrophobicContact CE2-CB 3.83Å; F39-H60 HydrophobicContact CG-CB 4.27Å; F39-H60 HydrophobicContact CZ-CB 3.3Å; F39-H60 AromaticContact CZ-CG 3.75Å; F39-H60 PolarHBondContact N-O 2.98Å; F39-H60 PolarHBondContact O-N 2.84Å; F39-T62 HydrophobicContact CD1-CG2 4.25Å; F39-T62 HydrophobicContact CE1-CG2 4.18Å; F39-I66 HydrophobicContact CB-CD1 4.15Å; F39-I66 HydrophobicContact CD1-CD1 4.19Å; F39-L79 HydrophobicContact CB-CD2 4.36Å; F39-L79 HydrophobicContact CD1-CD1 3.71Å; F39-L79 HydrophobicContact CD1-CD2 4.03Å; F39-L79 HydrophobicContact CD2-CD2 4.14Å; F39-L79 HydrophobicContact CE1-CD1 3.4Å; F39-L79 HydrophobicContact CE1-CD2 4.35Å; F39-L79 HydrophobicContact CE1-CG 4.5Å; F39-L79 HydrophobicContact CE2-CD2 4.46Å; F39-L79 HydrophobicContact CG-CD1 4.4Å; F39-L79 HydrophobicContact CG-CD2 3.91Å; F39-L79 HydrophobicContact CZ-CD1 3.85Å; F39-F89 AromaticContact CE2-CD1 3.82Å; F39-F89 HydrophobicContact CE2-CD1 3.82Å; F39-F89 HydrophobicContact CE2-CE1 4.22Å; F39-F89 HydrophobicContact CE2-CG 4.25Å; F39-F89 HydrophobicContact CZ-CB 4.24Å; F39-F89 AromaticContact CZ-CD1 3.69Å; F39-F89 HydrophobicContact CZ-CD1 3.69Å; F39-F89 HydrophobicContact CZ-CD2 4.11Å; F39-F89 HydrophobicContact CZ-CE1 4.07Å; F39-F89 HydrophobicContact CZ-CE2 4.46Å; F39-F89 AromaticContact CZ-CG 3.72Å; F39-F89 HydrophobicContact CZ-CG 3.72Å; F39-F89 HydrophobicContact CZ-CZ 4.44Å |
| 40 | R | 94.9 | Very high | 88.8 | Confident | 42 Ų | 42 | 57.8 Ų | 57.8 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 124.2 | -177.9 | -169 | 176.3 | -171.3 | 179.9 | 0.7 | 109.9 | V15 F16 C33 L55 F56 P57 T59 | V15-R40 HydrophobicContact CG1-CB 4.26Å; V15-R40 VanDerWaalsContact O-CD 3.3Å; V15-R40 WeakPolarHBondContact O-CD 3.01Å; V15-R40 PolarHBondContact O-NH1 2.77Å; F16-R40 HydrophobicContact CD1-CB 4.39Å; F16-R40 HydrophobicContact CE1-CB 3.69Å; C33-R40 PolarHBondContact N-O 2.94Å; C33-R40 PolarHBondContact O-N 3.44Å; R40-L55 HydrophobicContact CG-CD2 4.27Å; R40-F56 VanDerWaalsContact CZ-O 3.29Å; R40-F56 PolarHBondContact NE-O 3.28Å; R40-F56 PolarHBondContact NH2-O 3.25Å; R40-P57 PolarHBondContact NH2-O 2.93Å; R40-T59 WeakPolarHBondContact CD-OG1 3.45Å |
| 41 | A | 93.5 | Very high | 88 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 159.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F31 F56 L91 | F31-A41 CarbonylContact O-C 3.55Å; F31-A41 VanDerWaalsContact O-CA 3.24Å; F31-A41 WeakPolarHBondContact O-CA 3.41Å; A41-F56 HydrophobicContact CB-CD2 3.74Å; A41-F56 HydrophobicContact CB-CE2 3.99Å; A41-F56 WeakPolarHBondContact O-CB 3.37Å; A41-F56 WeakPolarHBondContact O-CD2 3.48Å; A41-F56 PolarHBondContact O-N 2.82Å; A41-L91 HydrophobicContact CB-CD1 3.89Å; A41-L91 HydrophobicContact CB-CD2 3.8Å |
| 42 | G | 92 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 F31 R54 | L30-G42 WeakPolarHBondContact CA-O 3.26Å; F31-G42 WeakPolarHBondContact CD1-O 3.5Å; F31-G42 VanDerWaalsContact CE1-C 3.42Å; F31-G42 PolarHBondContact N-O 3.02Å; F31-G42 PolarHBondContact O-N 3.33Å; G42-R54 CarbonylContact C-O 3.47Å; G42-R54 WeakPolarHBondContact CA-O 3.32Å |
| 43 | I | 91.6 | Very high | 87.1 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144 | 178.3 | 57.5 | 171.5 | 0 | 0 | 0 | 111.9 | R29 L30 V45 R54 F56 | R29-I43 CarbonylContact O-C 3.59Å; R29-I43 VanDerWaalsContact O-CA 3.22Å; R29-I43 WeakPolarHBondContact O-CA 3.24Å; L30-I43 HydrophobicContact CD2-CG2 3.82Å; L30-I43 HydrophobicContact CG-CG2 4.49Å; I43-V45 HydrophobicContact CD1-CG2 3.87Å; I43-V45 HydrophobicContact CG1-CG2 4.03Å; I43-R54 HydrophobicContact CG1-CB 4.01Å; I43-R54 PolarHBondContact N-O 2.8Å; I43-R54 PolarHBondContact O-N 2.84Å; I43-F56 HydrophobicContact CG2-CE1 3.98Å; I43-F56 HydrophobicContact CG2-CZ 3.68Å |
| 44 | I | 89.5 | Confident | 86.8 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.185 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.3 | 171.5 | -47.5 | -178.3 | 0 | 0 | 0 | 107.5 | I26 R29 F31 F51 L53 | I26-I44 HydrophobicContact CG2-CD1 3.97Å; R29-I44 PolarHBondContact O-N 2.75Å; F31-I44 HydrophobicContact CD1-CG1 3.81Å; F31-I44 HydrophobicContact CE1-CG1 4.48Å; I44-F51 HydrophobicContact CG2-CD1 4.11Å; I44-L53 HydrophobicContact CB-CD2 4.17Å; I44-L53 HydrophobicContact CD1-CD2 4.39Å; I44-L53 HydrophobicContact CG1-CD2 3.68Å; I44-L53 HydrophobicContact CG2-CD2 4.06Å |
| 45 | V | 87.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 114.8 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | I43 R47 T52 R54 | I43-V45 HydrophobicContact CD1-CG2 3.87Å; I43-V45 HydrophobicContact CG1-CG2 4.03Å; V45-R47 HydrophobicContact CG1-CG 4.46Å; V45-T52 PolarHBondContact N-O 3.2Å; V45-T52 PolarHBondContact O-N 2.77Å; V45-T52 PolarHBondContact O-OG1 2.79Å; V45-R54 HydrophobicContact CG2-CG 4.48Å |
| 46 | S | 79.7 | Confident | 86.3 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 46% | 0.455 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.1 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | R50 | S46-R50 WeakPolarHBondContact CA-O 3.37Å |
| 47 | R | 75.3 | Confident | 85.9 | Confident | 182 Ų | 182 | 82.5 Ų | 82.5 | 69% | 0.687 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.5 | 170.1 | -79.2 | -173.9 | 173.8 | -171.8 | -3.5 | 108.7 | V45 N49 R50 | V45-R47 HydrophobicContact CG1-CG 4.46Å; R47-N49 PolarHBondContact O-N 2.93Å; R47-R50 PolarHBondContact N-O 2.92Å; R47-R50 PolarHBondContact O-N 3.09Å; R47-R50 VanDerWaalsContact O-O 3.06Å |
| 48 | Q | 71.3 | Confident | 85.6 | Confident | 198 Ų | 198 | 82.1 Ų | 82.1 | 93% | 0.925 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 53.6 | 172 | -62.5 | 177.6 | -17.4 | 0 | 0 | 113.8 | R50 | Q48-R50 PolarHBondContact O-N 3.03Š|
| 49 | N | 67.4 | Low | 85.3 | Confident | 161 Ų | 161 | 84 Ų | 84 | 86% | 0.861 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 7.4 | -175.9 | -78.7 | -4.7 | 0 | 0 | 0 | 116.6 | R47 | R47-N49 PolarHBondContact O-N 2.93Š|
| 50 | R | 71.5 | Confident | 85.2 | Confident | 193 Ų | 193 | 85 Ų | 85 | 73% | 0.728 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.6 | 169.5 | -74.6 | -174 | 164 | 174.9 | -5 | 110.9 | S46 R47 Q48 | S46-R50 WeakPolarHBondContact CA-O 3.37Å; R47-R50 PolarHBondContact N-O 2.92Å; R47-R50 PolarHBondContact O-N 3.09Å; R47-R50 VanDerWaalsContact O-O 3.06Å; Q48-R50 PolarHBondContact O-N 3.03Å |
| 51 | F | 75.6 | Confident | 85.1 | Confident | 119 Ų | 119 | 91.9 Ų | 91.9 | 52% | 0.522 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.5 | 173 | -61.5 | -87.2 | 0 | 0 | 0 | 108.9 | I44 | I44-F51 HydrophobicContact CG2-CD1 4.11Å |
| 52 | T | 82.4 | Confident | 85 | Confident | 64 Ų | 64 | 93.2 Ų | 93.2 | 39% | 0.393 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.3 | 172.6 | 54.7 | 0 | 0 | 0 | 0 | 108.8 | V45 | V45-T52 PolarHBondContact N-O 3.2Å; V45-T52 PolarHBondContact O-N 2.77Å; V45-T52 PolarHBondContact O-OG1 2.79Å |
| 53 | L | 87 | Confident | 85 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 34% | 0.335 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.3 | 177.1 | -60.1 | 175.8 | 0 | 0 | 0 | 108.5 | T11 F13 F31 I44 | T11-L53 HydrophobicContact CG2-CD1 3.98Å; T11-L53 HydrophobicContact CG2-CG 4.25Å; F13-L53 HydrophobicContact CE1-CB 3.74Å; F13-L53 HydrophobicContact CE1-CD1 3.91Å; F13-L53 HydrophobicContact CE1-CG 4.38Å; F13-L53 HydrophobicContact CZ-CB 3.67Å; F13-L53 HydrophobicContact CZ-CD1 3.7Å; F13-L53 HydrophobicContact CZ-CG 4.33Å; F31-L53 HydrophobicContact CD1-CD2 4.25Å; F31-L53 HydrophobicContact CE1-CB 4.17Å; F31-L53 HydrophobicContact CE1-CD2 3.9Å; F31-L53 HydrophobicContact CZ-CB 4.21Å; F31-L53 HydrophobicContact CZ-CD2 4.46Å; I44-L53 HydrophobicContact CB-CD2 4.17Å; I44-L53 HydrophobicContact CD1-CD2 4.39Å; I44-L53 HydrophobicContact CG1-CD2 3.68Å; I44-L53 HydrophobicContact CG2-CD2 4.06Å |
| 54 | R | 88.9 | Confident | 85.1 | Confident | 148 Ų | 148 | 96.3 Ų | 96.3 | 56% | 0.558 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.9 | 173.6 | -67.7 | -174.3 | 178.6 | -173.5 | -3.9 | 109.6 | G42 I43 V45 | G42-R54 CarbonylContact C-O 3.47Å; G42-R54 WeakPolarHBondContact CA-O 3.32Å; I43-R54 HydrophobicContact CG1-CB 4.01Å; I43-R54 PolarHBondContact N-O 2.8Å; I43-R54 PolarHBondContact O-N 2.84Å; V45-R54 HydrophobicContact CG2-CG 4.48Å |
| 55 | L | 90.2 | Very high | 85.4 | Confident | 36 Ų | 36 | 99 Ų | 99 | 19% | 0.188 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 141.8 | 173.3 | -69.4 | 171.9 | 0 | 0 | 0 | 110.6 | F13 V15 F31 R40 | F13-L55 HydrophobicContact CD2-CD1 3.55Å; F13-L55 HydrophobicContact CD2-CG 4.28Å; F13-L55 HydrophobicContact CE2-CD1 3.53Å; F13-L55 HydrophobicContact CE2-CD2 4.28Å; F13-L55 HydrophobicContact CE2-CG 3.83Å; V15-L55 HydrophobicContact CG2-CD1 4.48Å; F31-L55 HydrophobicContact CE2-CD2 3.58Å; F31-L55 HydrophobicContact CZ-CD2 3.55Å; F31-L55 HydrophobicContact CZ-CG 4.31Å; R40-L55 HydrophobicContact CG-CD2 4.27Å |
| 56 | F | 90.9 | Very high | 85.9 | Confident | 72 Ų | 72 | 97.4 Ų | 97.4 | 32% | 0.316 | 46% | 0.464 | S | S | . | . | trans | -67.6 | 148.4 | 166.9 | -59.9 | -37.9 | 0 | 0 | 0 | 110 | L30 R40 A41 I43 K58 | L30-F56 HydrophobicContact CD2-CE2 4.18Å; L30-F56 HydrophobicContact CD2-CZ 4.12Å; R40-F56 VanDerWaalsContact CZ-O 3.29Å; R40-F56 PolarHBondContact NE-O 3.28Å; R40-F56 PolarHBondContact NH2-O 3.25Å; A41-F56 HydrophobicContact CB-CD2 3.74Å; A41-F56 HydrophobicContact CB-CE2 3.99Å; A41-F56 WeakPolarHBondContact O-CB 3.37Å; A41-F56 WeakPolarHBondContact O-CD2 3.48Å; A41-F56 PolarHBondContact O-N 2.82Å; I43-F56 HydrophobicContact CG2-CE1 3.98Å; I43-F56 HydrophobicContact CG2-CZ 3.68Å; F56-K58 VanDerWaalsContact C-N 3.28Å; F56-K58 PolarHBondContact O-N 3.49Å | ||
| 57 | P | 86.5 | Confident | 86.6 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 78% | 0.779 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -64.7 | -31.9 | -172.3 | 22.2 | -32.4 | 0 | 0 | 0 | 113.1 | R40 | R40-P57 PolarHBondContact NH2-O 2.93Š|
| 58 | K | 89.4 | Confident | 87.6 | Confident | 120 Ų | 120 | 90 Ų | 90 | 52% | 0.522 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 124.2 | -175 | -166.2 | 170.5 | 178.5 | -178.3 | 0 | 111.5 | F56 | F56-K58 VanDerWaalsContact C-N 3.28Å; F56-K58 PolarHBondContact O-N 3.49Å |
| 59 | T | 91.5 | Very high | 88.8 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 27% | 0.27 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 131.9 | 163.2 | -61.5 | 0 | 0 | 0 | 0 | 108.6 | F16 R40 | F16-T59 HydrophobicContact CD1-CG2 3.83Å; F16-T59 HydrophobicContact CE1-CG2 4.18Å; R40-T59 WeakPolarHBondContact CD-OG1 3.45Å |
| 60 | H | 93.1 | Very high | 90 | Very high | 27 Ų | 27 | 77.4 Ų | 77.4 | 13% | 0.125 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 145.2 | 179.4 | -61.6 | -93.2 | 0 | 0 | 0 | 109.8 | S38 F39 F89 | S38-H60 CarbonylContact C-O 3.51Å; S38-H60 VanDerWaalsContact CA-O 3.26Å; S38-H60 WeakPolarHBondContact CA-O 3.16Å; F39-H60 HydrophobicContact CD1-CB 3.8Å; F39-H60 HydrophobicContact CD2-CB 4.29Å; F39-H60 HydrophobicContact CE1-CB 3.29Å; F39-H60 HydrophobicContact CE2-CB 3.83Å; F39-H60 HydrophobicContact CG-CB 4.27Å; F39-H60 HydrophobicContact CZ-CB 3.3Å; F39-H60 AromaticContact CZ-CG 3.75Å; F39-H60 PolarHBondContact N-O 2.98Å; F39-H60 PolarHBondContact O-N 2.84Å; H60-F89 AromaticContact CE1-CE1 3.55Å; H60-F89 AromaticContact CE1-CZ 3.27Å; H60-F89 WeakPolarHBondContact CE1-CZ 3.29Å; H60-F89 AromaticContact ND1-CE1 3.75Å; H60-F89 AromaticContact ND1-CE2 3.99Å; H60-F89 AromaticContact ND1-CZ 3.24Å; H60-F89 WeakPolarHBondContact ND1-CZ 3.15Å; H60-F89 AromaticContact NE2-CE1 3.95Å |
| 61 | R | 91.9 | Very high | 91 | Very high | 186 Ų | 186 | 68.8 Ų | 68.8 | 70% | 0.702 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.6 | 178.4 | -71.8 | -173.9 | 175 | -172.9 | -0.3 | 110.9 | R37 | R37-R61 CarbonylContact O-C 3.53Å; R37-R61 VanDerWaalsContact O-CA 3.26Å; R37-R61 WeakPolarHBondContact O-CA 3.26Å |
| 62 | T | 91.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 63.9 Ų | 63.9 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | trans | -107.8 | 156.9 | 173.5 | 56.5 | 0 | 0 | 0 | 0 | 110 | R37 F39 D64 I66 L79 | R37-T62 PolarHBondContact O-N 2.97Å; R37-T62 PolarHBondContact O-OG1 3.25Å; F39-T62 HydrophobicContact CD1-CG2 4.25Å; F39-T62 HydrophobicContact CE1-CG2 4.18Å; T62-D64 VanDerWaalsContact C-N 3.35Å; T62-D64 PolarHBondContact OG1-O 3.01Å; T62-I66 HydrophobicContact CG2-CD1 4.1Å; T62-I66 HydrophobicContact CG2-CG1 4.29Å; T62-L79 HydrophobicContact CG2-CD1 3.84Å | ||
| 63 | S | 91.7 | Very high | 91.3 | Very high | 104 Ų | 104 | 66 Ų | 66 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -75.4 | -27.4 | 172.9 | 51 | 0 | 0 | 0 | 0 | 112.3 | ||
| 64 | D | 94 | Very high | 90.7 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 10% | 0.102 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -111.8 | 159.7 | -176.8 | -164 | 16.4 | 0 | 0 | 0 | 113 | T62 T81 M82 H83 | T62-D64 VanDerWaalsContact C-N 3.35Å; T62-D64 PolarHBondContact OG1-O 3.01Å; D64-T81 HydrophobicContact CB-CG2 4.23Å; D64-T81 VanDerWaalsContact OD2-CB 3.3Å; D64-T81 WeakPolarHBondContact OD2-CB 3.39Å; D64-T81 PolarHBondContact OD2-OG1 2.82Å; D64-M82 PolarHBondContact OD2-N 2.8Å; D64-H83 IonicContact OD1-CE1 2.74Å; D64-H83 PolarHBondContact OD1-CE1 2.79Å; D64-H83 IonicContact OD1-CG 3.35Å; D64-H83 IonicContact OD1-ND1 3.47Å; D64-H83 PolarHBondContact OD1-ND1 3.37Å; D64-H83 VanDerWaalsContact OD2-CB 3.25Å; D64-H83 WeakPolarHBondContact OD2-CB 3.47Å; D64-H83 IonicContact OD2-CG 3.35Å; D64-H83 PolarHBondContact OD2-N 2.82Å; D64-H83 IonicContact OD2-ND1 2.72Å; D64-H83 PolarHBondContact OD2-ND1 3.36Å |
| 65 | W | 95.4 | Very high | 90.3 | Very high | 92 Ų | 92 | 68 Ų | 68 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | trans | -69.8 | 131.5 | -179.8 | -157.9 | -66 | 0 | 0 | 0 | 111.4 | H22 N36 T81 M82 | H22-W65 AromaticContact CD2-NE1 3.68Å; H22-W65 AromaticContact NE2-CE2 3.88Å; H22-W65 AromaticContact NE2-CZ2 3.56Å; H22-W65 AromaticContact NE2-NE1 3.65Å; N36-W65 HydrophobicContact CB-CD2 3.97Å; N36-W65 HydrophobicContact CB-CE3 4.15Å; N36-W65 HydrophobicContact CB-CH2 3.94Å; N36-W65 HydrophobicContact CB-CZ2 3.76Å; N36-W65 HydrophobicContact CB-CZ3 4.13Å; N36-W65 VanDerWaalsContact CG-CH2 3.49Å; N36-W65 CarbonylContact O-C 3.55Å; N36-W65 WeakPolarHBondContact O-CA 3.3Å; N36-W65 WeakPolarHBondContact OD1-CH2 3.38Å; N36-W65 WeakPolarHBondContact OD1-CZ2 3.13Å; W65-T81 CarbonylContact O-C 3.44Å; W65-T81 WeakPolarHBondContact O-CA 3.26Å; W65-T81 WeakPolarHBondContact O-CB 3.29Å; W65-M82 HydrophobicContact CB-CB 3.87Å; W65-M82 HydrophobicContact CB-SD 4.1Å; W65-M82 PolarHBondContact O-N 2.61Å | ||
| 66 | I | 97.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.5 | -178.4 | -55.1 | 168.4 | 0 | 0 | 0 | 109.3 | F34 N36 F39 T62 T69 | F34-I66 HydrophobicContact CB-CD1 4.4Å; F34-I66 HydrophobicContact CB-CG2 4.05Å; F34-I66 HydrophobicContact CD2-CB 4.23Å; F34-I66 HydrophobicContact CD2-CG2 3.66Å; F34-I66 HydrophobicContact CE2-CG2 4.36Å; F34-I66 HydrophobicContact CG-CG2 4.04Å; N36-I66 PolarHBondContact O-N 3.39Å; F39-I66 HydrophobicContact CB-CD1 4.15Å; F39-I66 HydrophobicContact CD1-CD1 4.19Å; T62-I66 HydrophobicContact CG2-CD1 4.1Å; T62-I66 HydrophobicContact CG2-CG1 4.29Å; I66-T69 HydrophobicContact CG2-CG2 3.88Å |
| 67 | L | 95.8 | Very high | 90.4 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -41 | 175.5 | -63.2 | 179.8 | 0 | 0 | 0 | 111.9 | F34 L80 M82 | F34-L67 WeakPolarHBondContact CE2-O 3.25Å; L67-L80 HydrophobicContact CB-CG 4.45Å; L67-L80 PolarHBondContact N-O 3.11Å; L67-M82 HydrophobicContact CD2-CB 4.38Å; L67-M82 HydrophobicContact CG-CB 4.48Å |
| 68 | Q | 95.9 | Very high | 90.8 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 147.9 | -175.1 | -174.8 | 64.9 | 12.5 | 0 | 0 | 110.6 | L80 G110 | Q68-L80 HydrophobicContact CB-CB 4.39Å; Q68-L80 PolarHBondContact N-O 3.29Å; Q68-L80 PolarHBondContact O-N 3.34Å; Q68-G110 VanDerWaalsContact CB-O 3.28Å; Q68-G110 WeakPolarHBondContact CB-O 3.29Å |
| 69 | T | 95.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 159.8 | 166.9 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | S25 F34 I66 L78 L79 | S25-T69 WeakPolarHBondContact CB-OG1 3.13Å; S25-T69 VanDerWaalsContact OG-C 3.24Å; S25-T69 PolarHBondContact OG-O 3.36Å; S25-T69 PolarHBondContact OG-OG1 2.65Å; F34-T69 HydrophobicContact CB-CG2 3.6Å; F34-T69 HydrophobicContact CD1-CG2 3.53Å; F34-T69 WeakPolarHBondContact CD1-OG1 3.43Å; F34-T69 HydrophobicContact CD2-CG2 4.44Å; F34-T69 HydrophobicContact CE1-CG2 4.26Å; F34-T69 HydrophobicContact CG-CG2 3.62Å; I66-T69 HydrophobicContact CG2-CG2 3.88Å; T69-L78 CarbonylContact C-O 3.5Å; T69-L78 WeakPolarHBondContact CA-O 3.4Å; T69-L79 HydrophobicContact CG2-CD2 3.37Å |
| 70 | R | 93.7 | Very high | 91.4 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 130.6 | 170.2 | -169.4 | 171.3 | -176.9 | 109.1 | 8.9 | 110 | L78 I112 G114 | R70-L78 HydrophobicContact CB-CB 4.44Å; R70-L78 PolarHBondContact N-O 3.22Å; R70-L78 PolarHBondContact O-N 2.86Å; R70-I112 HydrophobicContact CB-CB 4.27Å; R70-I112 HydrophobicContact CB-CD1 4.01Å; R70-I112 HydrophobicContact CB-CG2 4.44Å; R70-I112 WeakPolarHBondContact CD-O 3.44Å; R70-I112 PolarHBondContact NH1-O 3.25Å; R70-G114 VanDerWaalsContact CZ-O 3.3Å; R70-G114 PolarHBondContact NE-O 3.2Å; R70-G114 PolarHBondContact NH2-O 2.83Å |
| 71 | I | 92.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 122.6 | 178.3 | -58.6 | 164.8 | 0 | 0 | 0 | 108.5 | S25 L30 C32 V77 | S25-I71 WeakPolarHBondContact O-CD1 3.39Å; L30-I71 HydrophobicContact CB-CD1 4.16Å; L30-I71 HydrophobicContact CB-CG2 4.35Å; C32-I71 HydrophobicContact CB-CD1 3.92Å; C32-I71 HydrophobicContact CB-CG1 4.03Å; I71-V77 HydrophobicContact CG1-CG2 4.34Å |
| 72 | L | 87.3 | Confident | 91.8 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 9% | 0.089 | 21% | 0.212 | C | C | . | . | trans | -81.5 | 148.7 | 173.1 | -63.6 | -179.5 | 0 | 0 | 0 | 110.5 | R74 G75 S76 L78 | L72-R74 PolarHBondContact O-N 3.06Å; L72-G75 PolarHBondContact O-N 3.1Å; L72-S76 PolarHBondContact N-O 2.99Å; L72-L78 HydrophobicContact CD1-CD1 3.99Å; L72-L78 HydrophobicContact CD1-CD2 4.06Å; L72-L78 HydrophobicContact CD1-CG 3.92Å; L72-L78 HydrophobicContact CD2-CD1 3.84Å; L72-L78 HydrophobicContact CD2-CG 4.37Å; L72-L78 HydrophobicContact CG-CD1 4Å; L72-L78 HydrophobicContact CG-CG 3.98Å | ||
| 73 | P | 76 | Confident | 91.9 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 70% | 0.695 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.4 | -179.7 | -27.2 | 34.6 | 0 | 0 | 0 | 114.9 | G75 | P73-G75 VanDerWaalsContact C-N 3.27Å; P73-G75 PolarHBondContact O-N 3.2Å |
| 74 | R | 75.8 | Confident | 92 | Very high | 237 Ų | 237 | 39.8 Ų | 39.8 | 89% | 0.894 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -1.4 | 179.4 | -62.5 | -177.3 | -177.5 | 176.5 | -1.4 | 114.4 | L72 | L72-R74 PolarHBondContact O-N 3.06Š|
| 75 | G | 78.7 | Confident | 92 | Very high | 19 Ų | 19 | 41 Ų | 41 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 92.6 | 4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L72 P73 L91 | L72-G75 PolarHBondContact O-N 3.1Å; P73-G75 VanDerWaalsContact C-N 3.27Å; P73-G75 PolarHBondContact O-N 3.2Å; G75-L91 WeakPolarHBondContact O-CB 3.14Å; G75-L91 WeakPolarHBondContact O-CD1 3.48Å; G75-L91 WeakPolarHBondContact O-CG 3.3Å |
| 76 | S | 89.9 | Confident | 92 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 146.7 | 170.5 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | L72 F89 | L72-S76 PolarHBondContact N-O 2.99Å; S76-F89 CarbonylContact C-O 3.55Å; S76-F89 VanDerWaalsContact CA-O 3.29Å; S76-F89 WeakPolarHBondContact CA-O 3.28Å |
| 77 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.5 | 172.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | I71 L79 F89 L91 | I71-V77 HydrophobicContact CG1-CG2 4.34Å; V77-L79 HydrophobicContact CG1-CD2 3.7Å; V77-L79 HydrophobicContact CG1-CG 4.48Å; V77-F89 PolarHBondContact N-O 2.98Å; V77-F89 PolarHBondContact O-N 2.93Å; V77-L91 HydrophobicContact CG2-CD1 3.78Å; V77-L91 HydrophobicContact CG2-CD2 3.9Å; V77-L91 HydrophobicContact CG2-CG 3.82Å |
| 78 | L | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.1 | 168.2 | -60.7 | 179.3 | 0 | 0 | 0 | 109.4 | T69 R70 L72 L86 V87 E88 I112 L120 | T69-L78 CarbonylContact C-O 3.5Å; T69-L78 WeakPolarHBondContact CA-O 3.4Å; R70-L78 HydrophobicContact CB-CB 4.44Å; R70-L78 PolarHBondContact N-O 3.22Å; R70-L78 PolarHBondContact O-N 2.86Å; L72-L78 HydrophobicContact CD1-CD1 3.99Å; L72-L78 HydrophobicContact CD1-CD2 4.06Å; L72-L78 HydrophobicContact CD1-CG 3.92Å; L72-L78 HydrophobicContact CD2-CD1 3.84Å; L72-L78 HydrophobicContact CD2-CG 4.37Å; L72-L78 HydrophobicContact CG-CD1 4Å; L72-L78 HydrophobicContact CG-CG 3.98Å; L78-L86 HydrophobicContact CB-CD1 4.11Å; L78-V87 CarbonylContact C-O 3.5Å; L78-V87 VanDerWaalsContact CA-O 3.29Å; L78-V87 WeakPolarHBondContact CA-O 3.07Å; L78-E88 HydrophobicContact CD2-CB 3.65Å; L78-E88 HydrophobicContact CD2-CG 3.75Å; L78-I112 HydrophobicContact CB-CD1 3.85Å; L78-I112 HydrophobicContact CD1-CG2 4.06Å; L78-L120 HydrophobicContact CD1-CD1 3.25Å |
| 79 | L | 96.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 175.9 | -43.6 | 166.4 | 0 | 0 | 0 | 107.7 | F39 T62 T69 V77 L86 V87 | F39-L79 HydrophobicContact CB-CD2 4.36Å; F39-L79 HydrophobicContact CD1-CD1 3.71Å; F39-L79 HydrophobicContact CD1-CD2 4.03Å; F39-L79 HydrophobicContact CD2-CD2 4.14Å; F39-L79 HydrophobicContact CE1-CD1 3.4Å; F39-L79 HydrophobicContact CE1-CD2 4.35Å; F39-L79 HydrophobicContact CE1-CG 4.5Å; F39-L79 HydrophobicContact CE2-CD2 4.46Å; F39-L79 HydrophobicContact CG-CD1 4.4Å; F39-L79 HydrophobicContact CG-CD2 3.91Å; F39-L79 HydrophobicContact CZ-CD1 3.85Å; T62-L79 HydrophobicContact CG2-CD1 3.84Å; T69-L79 HydrophobicContact CG2-CD2 3.37Å; V77-L79 HydrophobicContact CG1-CD2 3.7Å; V77-L79 HydrophobicContact CG1-CG 4.48Å; L79-L86 WeakPolarHBondContact O-CA 3.46Å; L79-V87 HydrophobicContact CB-CB 4.15Å; L79-V87 HydrophobicContact CD1-CB 4.32Å; L79-V87 HydrophobicContact CD1-CG1 4.31Å; L79-V87 PolarHBondContact N-O 3.29Å; L79-V87 PolarHBondContact O-N 2.84Å |
| 80 | L | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.2 | 168.8 | 176.6 | 60.3 | 0 | 0 | 0 | 108.6 | L67 Q68 G110 I112 V122 W134 | L67-L80 HydrophobicContact CB-CG 4.45Å; L67-L80 PolarHBondContact N-O 3.11Å; Q68-L80 HydrophobicContact CB-CB 4.39Å; Q68-L80 PolarHBondContact N-O 3.29Å; Q68-L80 PolarHBondContact O-N 3.34Å; L80-G110 VanDerWaalsContact CD2-C 3.46Å; L80-I112 HydrophobicContact CB-CD1 3.98Å; L80-I112 HydrophobicContact CB-CG1 4.02Å; L80-I112 HydrophobicContact CD2-CG1 4.42Å; L80-V122 HydrophobicContact CD1-CG1 3.79Å; L80-V122 HydrophobicContact CD2-CG1 3.58Å; L80-V122 HydrophobicContact CG-CG1 4.32Å; L80-W134 HydrophobicContact CD1-CH2 4.22Å; L80-W134 HydrophobicContact CD1-CZ2 3.63Å |
| 81 | T | 96.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 163.3 | -174.3 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | D64 W65 H83 N84 F85 V87 | D64-T81 HydrophobicContact CB-CG2 4.23Å; D64-T81 VanDerWaalsContact OD2-CB 3.3Å; D64-T81 WeakPolarHBondContact OD2-CB 3.39Å; D64-T81 PolarHBondContact OD2-OG1 2.82Å; W65-T81 CarbonylContact O-C 3.44Å; W65-T81 WeakPolarHBondContact O-CA 3.26Å; W65-T81 WeakPolarHBondContact O-CB 3.29Å; T81-H83 VanDerWaalsContact C-N 3.31Å; T81-H83 PolarHBondContact O-N 2.78Å; T81-N84 PolarHBondContact O-N 3.25Å; T81-F85 PolarHBondContact N-O 2.91Å; T81-F85 WeakPolarHBondContact OG1-CA 3.27Å; T81-F85 VanDerWaalsContact OG1-CB 3.25Å; T81-F85 WeakPolarHBondContact OG1-CB 3.41Å; T81-F85 PolarHBondContact OG1-N 3.08Å; T81-F85 PolarHBondContact OG1-O 2.93Å; T81-V87 HydrophobicContact CG2-CG2 4.43Å |
| 82 | M | 96.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.6 | -177 | 178.1 | 169.9 | -164.6 | 0 | 0 | 113.6 | D64 W65 L67 N84 V106 S107 Y108 | D64-M82 PolarHBondContact OD2-N 2.8Å; W65-M82 HydrophobicContact CB-CB 3.87Å; W65-M82 HydrophobicContact CB-SD 4.1Å; W65-M82 PolarHBondContact O-N 2.61Å; L67-M82 HydrophobicContact CD2-CB 4.38Å; L67-M82 HydrophobicContact CG-CB 4.48Å; M82-N84 PolarHBondContact O-N 2.89Å; M82-V106 HydrophobicContact CE-CG1 3.3Å; M82-V106 HydrophobicContact CG-CG1 3.84Å; M82-V106 HydrophobicContact SD-CG1 4.36Å; M82-S107 WeakPolarHBondContact CG-O 3.26Å; M82-S107 PolarHBondContact O-N 2.8Å; M82-Y108 HydrophobicContact CE-CD1 3.95Å; M82-Y108 HydrophobicContact CE-CE1 3.62Å |
| 83 | H | 95.3 | Very high | 90.8 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 39% | 0.394 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 24.8 | 175.3 | -60.2 | 90.7 | 0 | 0 | 0 | 113.2 | D64 T81 F85 | D64-H83 IonicContact OD1-CE1 2.74Å; D64-H83 PolarHBondContact OD1-CE1 2.79Å; D64-H83 IonicContact OD1-CG 3.35Å; D64-H83 IonicContact OD1-ND1 3.47Å; D64-H83 PolarHBondContact OD1-ND1 3.37Å; D64-H83 VanDerWaalsContact OD2-CB 3.25Å; D64-H83 WeakPolarHBondContact OD2-CB 3.47Å; D64-H83 IonicContact OD2-CG 3.35Å; D64-H83 PolarHBondContact OD2-N 2.82Å; D64-H83 IonicContact OD2-ND1 2.72Å; D64-H83 PolarHBondContact OD2-ND1 3.36Å; T81-H83 VanDerWaalsContact C-N 3.31Å; T81-H83 PolarHBondContact O-N 2.78Å; H83-F85 HydrophobicContact CB-CD2 4.11Å; H83-F85 HydrophobicContact CB-CE2 4.02Å; H83-F85 WeakPolarHBondContact O-CD2 3.5Å; H83-F85 PolarHBondContact O-N 2.79Å |
| 84 | N | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 59.5 | 40.2 | 175.8 | -63.4 | -55 | 0 | 0 | 0 | 114.6 | T81 M82 C101 S105 S107 S124 W134 | T81-N84 PolarHBondContact O-N 3.25Å; M82-N84 PolarHBondContact O-N 2.89Å; N84-C101 HydrophobicContact CB-CB 3.59Å; N84-C101 WeakPolarHBondContact O-CB 3.41Å; N84-C101 PolarHBondContact O-N 3.02Å; N84-S105 PolarHBondContact ND2-O 3.24Å; N84-S107 PolarHBondContact ND2-OG 3.02Å; N84-S107 WeakPolarHBondContact OD1-CB 3.43Å; N84-S107 PolarHBondContact OD1-OG 2.92Å; N84-S124 PolarHBondContact OD1-OG 2.96Å; N84-W134 HydrophobicContact CB-CZ2 4.34Å |
| 85 | F | 94.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.4 | 162.5 | -63 | -107.6 | 0 | 0 | 0 | 110.2 | T81 H83 V87 E98 R99 R100 | T81-F85 PolarHBondContact N-O 2.91Å; T81-F85 WeakPolarHBondContact OG1-CA 3.27Å; T81-F85 VanDerWaalsContact OG1-CB 3.25Å; T81-F85 WeakPolarHBondContact OG1-CB 3.41Å; T81-F85 PolarHBondContact OG1-N 3.08Å; T81-F85 PolarHBondContact OG1-O 2.93Å; H83-F85 HydrophobicContact CB-CD2 4.11Å; H83-F85 HydrophobicContact CB-CE2 4.02Å; H83-F85 WeakPolarHBondContact O-CD2 3.5Å; H83-F85 PolarHBondContact O-N 2.79Å; F85-V87 HydrophobicContact CB-CG2 4.29Å; F85-E98 HydrophobicContact CD1-CB 4.44Å; F85-R99 CarbonylContact C-O 3.56Å; F85-R99 WeakPolarHBondContact CA-O 3.39Å; F85-R100 HydrophobicContact CD1-CB 3.67Å; F85-R100 HydrophobicContact CD1-CG 3.91Å; F85-R100 HydrophobicContact CD2-CG 4.24Å; F85-R100 HydrophobicContact CE1-CB 3.56Å; F85-R100 HydrophobicContact CE1-CG 3.6Å; F85-R100 HydrophobicContact CE2-CG 3.93Å; F85-R100 HydrophobicContact CG-CB 4.33Å; F85-R100 HydrophobicContact CG-CG 4.23Å; F85-R100 HydrophobicContact CZ-CB 4.12Å; F85-R100 HydrophobicContact CZ-CG 3.61Å |
| 86 | L | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.1 | 160.9 | -173.3 | 72.6 | 0 | 0 | 0 | 108.4 | L78 L79 R99 I112 L120 V122 W134 P136 | L78-L86 HydrophobicContact CB-CD1 4.11Å; L79-L86 WeakPolarHBondContact O-CA 3.46Å; L86-R99 PolarHBondContact N-O 2.89Å; L86-R99 PolarHBondContact O-N 2.98Å; L86-I112 HydrophobicContact CD1-CD1 3.72Å; L86-I112 HydrophobicContact CD1-CG1 4.06Å; L86-L120 HydrophobicContact CD2-CD2 3.74Å; L86-V122 HydrophobicContact CD1-CG2 4.35Å; L86-V122 HydrophobicContact CD2-CG2 4.46Å; L86-W134 HydrophobicContact CB-CH2 3.78Å; L86-W134 HydrophobicContact CB-CZ3 4.19Å; L86-P136 HydrophobicContact CB-CB 4.46Å; L86-P136 HydrophobicContact CD2-CB 3.51Å; L86-P136 HydrophobicContact CD2-CG 3.58Å |
| 87 | V | 94.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.9 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | L78 L79 T81 F85 C96 E98 | L78-V87 CarbonylContact C-O 3.5Å; L78-V87 VanDerWaalsContact CA-O 3.29Å; L78-V87 WeakPolarHBondContact CA-O 3.07Å; L79-V87 HydrophobicContact CB-CB 4.15Å; L79-V87 HydrophobicContact CD1-CB 4.32Å; L79-V87 HydrophobicContact CD1-CG1 4.31Å; L79-V87 PolarHBondContact N-O 3.29Å; L79-V87 PolarHBondContact O-N 2.84Å; T81-V87 HydrophobicContact CG2-CG2 4.43Å; F85-V87 HydrophobicContact CB-CG2 4.29Å; V87-C96 WeakPolarHBondContact CG1-SG 3.18Å; V87-E98 HydrophobicContact CG1-CG 4.2Å; V87-E98 HydrophobicContact CG2-CG 4Å |
| 88 | E | 93.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 109.9 | 172.9 | -177.1 | 177.3 | -173.6 | 0 | 0 | 109.2 | L78 C96 I97 R99 Y137 | L78-E88 HydrophobicContact CD2-CB 3.65Å; L78-E88 HydrophobicContact CD2-CG 3.75Å; E88-C96 WeakPolarHBondContact O-CA 3.46Å; E88-I97 HydrophobicContact CB-CB 4.47Å; E88-I97 PolarHBondContact N-O 3.12Å; E88-I97 PolarHBondContact O-N 2.97Å; E88-R99 IonicContact OE2-CZ 2.84Å; E88-R99 IonicContact OE2-NH1 2.87Å; E88-R99 PolarHBondContact OE2-NH1 2.88Å; E88-R99 IonicContact OE2-NH2 3.31Å; E88-R99 PolarHBondContact OE2-NH2 2.99Å; E88-Y137 PolarHBondContact OE2-OH 2.83Å |
| 89 | F | 93.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.6 | -177.8 | -172.8 | -94.3 | 0 | 0 | 0 | 111 | F39 H60 S76 V77 L91 A95 C96 | F39-F89 AromaticContact CE2-CD1 3.82Å; F39-F89 HydrophobicContact CE2-CD1 3.82Å; F39-F89 HydrophobicContact CE2-CE1 4.22Å; F39-F89 HydrophobicContact CE2-CG 4.25Å; F39-F89 HydrophobicContact CZ-CB 4.24Å; F39-F89 AromaticContact CZ-CD1 3.69Å; F39-F89 HydrophobicContact CZ-CD1 3.69Å; F39-F89 HydrophobicContact CZ-CD2 4.11Å; F39-F89 HydrophobicContact CZ-CE1 4.07Å; F39-F89 HydrophobicContact CZ-CE2 4.46Å; F39-F89 AromaticContact CZ-CG 3.72Å; F39-F89 HydrophobicContact CZ-CG 3.72Å; F39-F89 HydrophobicContact CZ-CZ 4.44Å; H60-F89 AromaticContact CE1-CE1 3.55Å; H60-F89 AromaticContact CE1-CZ 3.27Å; H60-F89 WeakPolarHBondContact CE1-CZ 3.29Å; H60-F89 AromaticContact ND1-CE1 3.75Å; H60-F89 AromaticContact ND1-CE2 3.99Å; H60-F89 AromaticContact ND1-CZ 3.24Å; H60-F89 WeakPolarHBondContact ND1-CZ 3.15Å; H60-F89 AromaticContact NE2-CE1 3.95Å; S76-F89 CarbonylContact C-O 3.55Å; S76-F89 VanDerWaalsContact CA-O 3.29Å; S76-F89 WeakPolarHBondContact CA-O 3.28Å; V77-F89 PolarHBondContact N-O 2.98Å; V77-F89 PolarHBondContact O-N 2.93Å; F89-L91 HydrophobicContact CD1-CD2 4.07Å; F89-L91 HydrophobicContact CE1-CD2 4.11Å; F89-A95 WeakPolarHBondContact CA-O 2.85Å; F89-C96 HydrophobicContact CD2-CB 4.31Å |
| 90 | D | 91 | Very high | 92.1 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.7 | 174.8 | -178.4 | -39.5 | 0 | 0 | 0 | 109.8 | R92 T93 S94 A95 | D90-R92 PolarHBondContact O-N 2.99Å; D90-R92 WeakPolarHBondContact OD1-CA 3.41Å; D90-R92 WeakPolarHBondContact OD1-CB 3.44Å; D90-R92 PolarHBondContact OD1-N 3.41Å; D90-T93 VanDerWaalsContact CB-OG1 3.27Å; D90-T93 WeakPolarHBondContact CB-OG1 3.39Å; D90-T93 PolarHBondContact OD1-N 2.64Å; D90-T93 PolarHBondContact OD1-OG1 2.73Å; D90-T93 PolarHBondContact OD2-OG1 2.85Å; D90-S94 WeakPolarHBondContact O-CA 2.8Å; D90-S94 PolarHBondContact O-N 2.79Å; D90-A95 HydrophobicContact CB-CB 4.4Å; D90-A95 PolarHBondContact N-O 2.98Å |
| 91 | L | 86 | Confident | 92 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.5 | -177.8 | -70.2 | 175.7 | 0 | 0 | 0 | 113.7 | A41 G75 V77 F89 | A41-L91 HydrophobicContact CB-CD1 3.89Å; A41-L91 HydrophobicContact CB-CD2 3.8Å; G75-L91 WeakPolarHBondContact O-CB 3.14Å; G75-L91 WeakPolarHBondContact O-CD1 3.48Å; G75-L91 WeakPolarHBondContact O-CG 3.3Å; V77-L91 HydrophobicContact CG2-CD1 3.78Å; V77-L91 HydrophobicContact CG2-CD2 3.9Å; V77-L91 HydrophobicContact CG2-CG 3.82Å; F89-L91 HydrophobicContact CD1-CD2 4.07Å; F89-L91 HydrophobicContact CE1-CD2 4.11Å |
| 92 | R | 86.3 | Confident | 91.6 | Very high | 221 Ų | 221 | 59.5 Ų | 59.5 | 83% | 0.834 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -46.1 | -177.2 | -175.4 | 179 | 64.3 | 147 | 2.2 | 111.3 | D90 | D90-R92 PolarHBondContact O-N 2.99Å; D90-R92 WeakPolarHBondContact OD1-CA 3.41Å; D90-R92 WeakPolarHBondContact OD1-CB 3.44Å; D90-R92 PolarHBondContact OD1-N 3.41Å |
| 93 | T | 87.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 61.2 Ų | 61.2 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.7 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 113 | D90 A95 | D90-T93 VanDerWaalsContact CB-OG1 3.27Å; D90-T93 WeakPolarHBondContact CB-OG1 3.39Å; D90-T93 PolarHBondContact OD1-N 2.64Å; D90-T93 PolarHBondContact OD1-OG1 2.73Å; D90-T93 PolarHBondContact OD2-OG1 2.85Å; T93-A95 PolarHBondContact O-N 3.35Å; T93-A95 VanDerWaalsContact OG1-CB 3.26Å; T93-A95 WeakPolarHBondContact OG1-CB 3.24Å; T93-A95 PolarHBondContact OG1-N 2.88Å |
| 94 | S | 85.3 | Confident | 90.7 | Very high | 51 Ų | 51 | 67 Ų | 67 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | trans | 56.5 | 17.9 | -166.3 | -60.9 | 0 | 0 | 0 | 0 | 113.8 | D90 | D90-S94 WeakPolarHBondContact O-CA 2.8Å; D90-S94 PolarHBondContact O-N 2.79Å | ||
| 95 | A | 90.4 | Very high | 90.4 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | trans | -70.9 | 144.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F89 D90 T93 | F89-A95 WeakPolarHBondContact CA-O 2.85Å; D90-A95 HydrophobicContact CB-CB 4.4Å; D90-A95 PolarHBondContact N-O 2.98Å; T93-A95 PolarHBondContact O-N 3.35Å; T93-A95 VanDerWaalsContact OG1-CB 3.26Å; T93-A95 WeakPolarHBondContact OG1-CB 3.24Å; T93-A95 PolarHBondContact OG1-N 2.88Å | ||
| 96 | C | 90 | Very high | 90.3 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124 | -173.9 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | V87 E88 F89 | V87-C96 WeakPolarHBondContact CG1-SG 3.18Å; E88-C96 WeakPolarHBondContact O-CA 3.46Å; F89-C96 HydrophobicContact CD2-CB 4.31Å |
| 97 | I | 91.4 | Very high | 90.3 | Very high | 87 Ų | 87 | 68.1 Ų | 68.1 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.1 | 174.7 | -59.2 | 169.8 | 0 | 0 | 0 | 108.1 | E88 | E88-I97 HydrophobicContact CB-CB 4.47Å; E88-I97 PolarHBondContact N-O 3.12Å; E88-I97 PolarHBondContact O-N 2.97Å |
| 98 | E | 91.8 | Very high | 90.4 | Very high | 112 Ų | 112 | 73.2 Ų | 73.2 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 138.7 | -179.9 | -55.1 | -169.2 | 170 | 0 | 0 | 110.9 | F85 V87 | F85-E98 HydrophobicContact CD1-CB 4.44Å; V87-E98 HydrophobicContact CG1-CG 4.2Å; V87-E98 HydrophobicContact CG2-CG 4Å |
| 99 | R | 92.9 | Very high | 90.5 | Very high | 44 Ų | 44 | 72.3 Ų | 72.3 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 121.5 | 174.7 | -60.1 | -169 | -176.4 | 80.6 | 2.3 | 108.3 | F85 L86 E88 P136 V141 | F85-R99 CarbonylContact C-O 3.56Å; F85-R99 WeakPolarHBondContact CA-O 3.39Å; L86-R99 PolarHBondContact N-O 2.89Å; L86-R99 PolarHBondContact O-N 2.98Å; E88-R99 IonicContact OE2-CZ 2.84Å; E88-R99 IonicContact OE2-NH1 2.87Å; E88-R99 PolarHBondContact OE2-NH1 2.88Å; E88-R99 IonicContact OE2-NH2 3.31Å; E88-R99 PolarHBondContact OE2-NH2 2.99Å; R99-P136 WeakPolarHBondContact CD-O 3.42Å; R99-V141 HydrophobicContact CB-CG2 4.02Å |
| 100 | R | 93.3 | Very high | 90.6 | Very high | 105 Ų | 105 | 71.6 Ų | 71.6 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.3 | -174.5 | -170.7 | -173.7 | -179.3 | 152.5 | 3.4 | 110.4 | F85 V141 | F85-R100 HydrophobicContact CD1-CB 3.67Å; F85-R100 HydrophobicContact CD1-CG 3.91Å; F85-R100 HydrophobicContact CD2-CG 4.24Å; F85-R100 HydrophobicContact CE1-CB 3.56Å; F85-R100 HydrophobicContact CE1-CG 3.6Å; F85-R100 HydrophobicContact CE2-CG 3.93Å; F85-R100 HydrophobicContact CG-CB 4.33Å; F85-R100 HydrophobicContact CG-CG 4.23Å; F85-R100 HydrophobicContact CZ-CB 4.12Å; F85-R100 HydrophobicContact CZ-CG 3.61Å; R100-V141 VanDerWaalsContact O-CB 3.26Å; R100-V141 WeakPolarHBondContact O-CB 3.21Å |
| 101 | C | 92.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.02 | 34% | 0.342 | C | S | . | . | trans | -57.6 | 136.6 | 170.8 | -175.1 | 0 | 0 | 0 | 0 | 112 | N84 M103 W134 V143 | N84-C101 HydrophobicContact CB-CB 3.59Å; N84-C101 WeakPolarHBondContact O-CB 3.41Å; N84-C101 PolarHBondContact O-N 3.02Å; C101-M103 PolarHBondContact O-N 3.41Å; C101-W134 HydrophobicContact CB-CD2 3.9Å; C101-W134 HydrophobicContact CB-CE3 4.02Å; C101-W134 HydrophobicContact CB-CG 4.35Å; C101-W134 HydrophobicContact CB-CH2 4.33Å; C101-W134 HydrophobicContact CB-CZ2 4.22Å; C101-W134 HydrophobicContact CB-CZ3 4.23Å; C101-V143 WeakPolarHBondContact SG-CG2 3.28Å | ||
| 102 | E | 88.8 | Confident | 91.2 | Very high | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -52 | -40.7 | 176.3 | -178.1 | -175.9 | 178.5 | 0 | 0 | 112.2 | R104 V141 | E102-R104 PolarHBondContact O-N 3.05Å; E102-V141 WeakPolarHBondContact CB-O 3.25Å; E102-V141 PolarHBondContact N-O 2.94Å; E102-V141 VanDerWaalsContact N-O 3.11Å |
| 103 | M | 86.2 | Confident | 91.4 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -81.6 | 110.7 | -179.3 | -168.7 | 171.1 | -170.8 | 0 | 0 | 111.8 | C101 S105 L132 V143 V146 | C101-M103 PolarHBondContact O-N 3.41Å; M103-S105 VanDerWaalsContact C-N 3.32Å; M103-S105 PolarHBondContact O-N 2.84Å; M103-L132 HydrophobicContact CB-CD1 4.38Å; M103-L132 HydrophobicContact CG-CD1 4.45Å; M103-L132 HydrophobicContact SD-CD1 4.05Å; M103-L132 HydrophobicContact SD-CD2 3.51Å; M103-L132 VanDerWaalsContact SD-CD2 3.51Å; M103-L132 HydrophobicContact SD-CG 4.45Å; M103-V143 HydrophobicContact CB-CG2 3.79Å; M103-V146 HydrophobicContact SD-CG2 4.21Å |
| 104 | R | 85.7 | Confident | 91.4 | Very high | 207 Ų | 207 | 57.4 Ų | 57.4 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | trans | -78 | 76.2 | 179.2 | -60.3 | -175.2 | -179.3 | -177.7 | 1.1 | 111.8 | E102 | E102-R104 PolarHBondContact O-N 3.05Š| ||
| 105 | S | 86.9 | Confident | 91.3 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | trans | -123.2 | 157.2 | 176.2 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | N84 M103 | N84-S105 PolarHBondContact ND2-O 3.24Å; M103-S105 VanDerWaalsContact C-N 3.32Å; M103-S105 PolarHBondContact O-N 2.84Å | ||
| 106 | V | 93.4 | Very high | 91 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | trans | -86.6 | 126 | 170.6 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | M82 T126 A127 | M82-V106 HydrophobicContact CE-CG1 3.3Å; M82-V106 HydrophobicContact CG-CG1 3.84Å; M82-V106 HydrophobicContact SD-CG1 4.36Å; V106-T126 WeakPolarHBondContact O-CA 3.32Å; V106-A127 HydrophobicContact CB-CB 4.47Å; V106-A127 PolarHBondContact O-N 2.88Å | ||
| 107 | S | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.5 | 177.6 | -67.4 | 0 | 0 | 0 | 0 | 111.1 | M82 N84 G125 | M82-S107 WeakPolarHBondContact CG-O 3.26Å; M82-S107 PolarHBondContact O-N 2.8Å; N84-S107 PolarHBondContact ND2-OG 3.02Å; N84-S107 WeakPolarHBondContact OD1-CB 3.43Å; N84-S107 PolarHBondContact OD1-OG 2.92Å; S107-G125 CarbonylContact C-O 3.55Å; S107-G125 VanDerWaalsContact CA-O 3.27Å; S107-G125 WeakPolarHBondContact CA-O 3.14Å |
| 108 | Y | 95.5 | Very high | 90.3 | Very high | 117 Ų | 117 | 64.6 Ų | 64.6 | 46% | 0.459 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -14 | 173.7 | -76.1 | -55.1 | 0 | 0 | 0 | 112.8 | M82 G125 A127 A153 | M82-Y108 HydrophobicContact CE-CD1 3.95Å; M82-Y108 HydrophobicContact CE-CE1 3.62Å; Y108-G125 PolarHBondContact N-O 2.97Å; Y108-A127 HydrophobicContact CD2-CB 3.67Å; Y108-A127 HydrophobicContact CE2-CB 3.3Å; Y108-A153 HydrophobicContact CD2-CB 3.55Å; Y108-A153 HydrophobicContact CE2-CB 3.82Å |
| 109 | S | 96.1 | Very high | 90 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.9 | 176.4 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | S124 G125 V154 F155 | S109-S124 CarbonylContact O-C 3.44Å; S109-S124 VanDerWaalsContact O-CA 3.32Å; S109-S124 WeakPolarHBondContact O-CA 3.49Å; S109-G125 PolarHBondContact N-O 2.84Å; S109-G125 PolarHBondContact O-N 2.89Å; S109-G125 WeakPolarHBondContact OG-CA 3.49Å; S109-G125 PolarHBondContact OG-N 3.43Å; S109-V154 PolarHBondContact OG-O 2.92Å; S109-F155 VanDerWaalsContact CB-C 3.41Å; S109-F155 VanDerWaalsContact CB-O 3.25Å; S109-F155 WeakPolarHBondContact CB-O 2.97Å |
| 110 | G | 95.8 | Very high | 90 | Very high | 5 Ų | 5 | 58 Ų | 58 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 154.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q68 L80 I123 | Q68-G110 VanDerWaalsContact CB-O 3.28Å; Q68-G110 WeakPolarHBondContact CB-O 3.29Å; L80-G110 VanDerWaalsContact CD2-C 3.46Å; G110-I123 CarbonylContact C-O 3.57Å; G110-I123 WeakPolarHBondContact CA-O 3.19Å |
| 111 | R | 95 | Very high | 90 | Very high | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.7 | -178.6 | -63.2 | -162.2 | -171.8 | -162.5 | 7 | 110.8 | Y113 I123 D156 V157 A218 E219 | R111-Y113 HydrophobicContact CB-CD2 4.35Å; R111-Y113 HydrophobicContact CB-CE2 3.53Å; R111-Y113 WeakPolarHBondContact CD-OH 3.42Å; R111-I123 PolarHBondContact N-O 3.33Å; R111-I123 PolarHBondContact O-N 2.81Å; R111-D156 IonicContact CZ-OD1 2.93Å; R111-D156 IonicContact CZ-OD2 3.7Å; R111-D156 IonicContact NE-OD1 2.63Å; R111-D156 PolarHBondContact NE-OD1 3.06Å; R111-D156 VanDerWaalsContact NE-OD1 3.13Å; R111-D156 IonicContact NH2-OD1 3.65Å; R111-D156 PolarHBondContact NH2-OD1 3.24Å; R111-D156 IonicContact NH2-OD2 3.05Å; R111-D156 PolarHBondContact NH2-OD2 2.89Å; R111-V157 HydrophobicContact CB-CG2 4.44Å; R111-V157 WeakPolarHBondContact CD-O 3.4Å; R111-V157 HydrophobicContact CG-CG2 4.22Å; R111-V157 WeakPolarHBondContact CG-O 3.38Å; R111-V157 PolarHBondContact NE-O 3.13Å; R111-A218 PolarHBondContact NH2-O 3.04Å; R111-E219 IonicContact CZ-OE1 2.87Å; R111-E219 IonicContact NH1-OE1 2.87Å; R111-E219 PolarHBondContact NH1-OE1 3.44Å; R111-E219 IonicContact NH1-OE2 3.49Å; R111-E219 IonicContact NH2-OE1 3.12Å; R111-E219 PolarHBondContact NH2-OE1 2.69Å |
| 112 | I | 95.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.2 | 179.1 | -53.5 | 165.3 | 0 | 0 | 0 | 107.3 | R70 L78 L80 L86 L120 V122 | R70-I112 HydrophobicContact CB-CB 4.27Å; R70-I112 HydrophobicContact CB-CD1 4.01Å; R70-I112 HydrophobicContact CB-CG2 4.44Å; R70-I112 WeakPolarHBondContact CD-O 3.44Å; R70-I112 PolarHBondContact NH1-O 3.25Å; L78-I112 HydrophobicContact CB-CD1 3.85Å; L78-I112 HydrophobicContact CD1-CG2 4.06Å; L80-I112 HydrophobicContact CB-CD1 3.98Å; L80-I112 HydrophobicContact CB-CG1 4.02Å; L80-I112 HydrophobicContact CD2-CG1 4.42Å; L86-I112 HydrophobicContact CD1-CD1 3.72Å; L86-I112 HydrophobicContact CD1-CG1 4.06Å; I112-L120 HydrophobicContact CG2-CD1 3.87Å; I112-L120 HydrophobicContact CG2-CD2 4.2Å; I112-L120 HydrophobicContact CG2-CG 4.08Å; I112-V122 HydrophobicContact CG1-CG2 4.46Å |
| 113 | Y | 91 | Very high | 90.5 | Very high | 32 Ų | 32 | 47 Ų | 47 | 13% | 0.125 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.5 | 177.4 | -64.2 | -79.4 | 0 | 0 | 0 | 110.7 | R111 L120 C121 I123 F159 | R111-Y113 HydrophobicContact CB-CD2 4.35Å; R111-Y113 HydrophobicContact CB-CE2 3.53Å; R111-Y113 WeakPolarHBondContact CD-OH 3.42Å; Y113-L120 CarbonylContact O-C 3.55Å; Y113-L120 VanDerWaalsContact O-CA 3.26Å; Y113-L120 WeakPolarHBondContact O-CA 3.42Å; Y113-C121 PolarHBondContact N-O 2.82Å; Y113-C121 PolarHBondContact O-N 2.83Å; Y113-I123 HydrophobicContact CD2-CB 4.38Å; Y113-I123 HydrophobicContact CD2-CD1 3.83Å; Y113-I123 HydrophobicContact CD2-CG1 3.88Å; Y113-I123 HydrophobicContact CE2-CB 4.07Å; Y113-I123 HydrophobicContact CE2-CD1 3.72Å; Y113-I123 HydrophobicContact CE2-CG1 3.95Å; Y113-F159 HydrophobicContact CD1-CB 4.44Å; Y113-F159 AromaticContact CD1-CD1 3.92Å; Y113-F159 HydrophobicContact CD1-CD1 3.92Å; Y113-F159 HydrophobicContact CE1-CB 3.79Å; Y113-F159 HydrophobicContact CE1-CD1 4.08Å; Y113-F159 HydrophobicContact CE1-CG 4.45Å; Y113-F159 HydrophobicContact CE2-CB 4.01Å; Y113-F159 HydrophobicContact CG-CD1 4.22Å; Y113-F159 PolarHBondContact OH-N 3.07Å |
| 114 | G | 87.1 | Confident | 91 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | trans | 91.4 | 173.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R70 | R70-G114 VanDerWaalsContact CZ-O 3.3Å; R70-G114 PolarHBondContact NE-O 3.2Å; R70-G114 PolarHBondContact NH2-O 2.83Å | ||
| 115 | D | 82.1 | Confident | 91.6 | Very high | 73 Ų | 73 | 33.5 Ų | 33.5 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -138.7 | -1.1 | -170.7 | 61.3 | -1.7 | 0 | 0 | 0 | 112.9 | N119 | D115-N119 PolarHBondContact N-OD1 2.89Å; D115-N119 PolarHBondContact OD1-ND2 3.36Å; D115-N119 PolarHBondContact OD1-OD1 2.97Å |
| 116 | S | 83.6 | Confident | 92.1 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -148.1 | 161.8 | -177.5 | 74.1 | 0 | 0 | 0 | 0 | 111.3 | K118 N119 L120 | S116-K118 PolarHBondContact O-N 2.88Å; S116-K118 PolarHBondContact OG-N 3.44Å; S116-N119 PolarHBondContact N-OD1 2.8Å; S116-N119 PolarHBondContact O-N 2.93Å; S116-N119 VanDerWaalsContact O-N 3.12Å; S116-N119 PolarHBondContact O-OD1 2.89Å; S116-N119 PolarHBondContact OG-OD1 3.11Å; S116-N119 VanDerWaalsContact OG-OD1 3.05Å; S116-L120 VanDerWaalsContact O-CB 3.25Å; S116-L120 WeakPolarHBondContact O-CB 3.44Å; S116-L120 PolarHBondContact O-N 3.31Å |
| 117 | K | 82.3 | Confident | 92.1 | Very high | 118 Ų | 118 | 32 Ų | 32 | 51% | 0.513 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -20 | 176.1 | -54.8 | -167.8 | 175.8 | -178.3 | 0 | 113.7 | Y137 | K117-Y137 HydrophobicContact CB-CD1 4.05Å; K117-Y137 HydrophobicContact CB-CD2 4.12Å; K117-Y137 HydrophobicContact CB-CE1 4.29Å; K117-Y137 HydrophobicContact CB-CE2 4.36Å; K117-Y137 HydrophobicContact CB-CG 3.95Å; K117-Y137 HydrophobicContact CD-CD1 3.79Å; K117-Y137 HydrophobicContact CD-CE1 3.62Å; K117-Y137 HydrophobicContact CG-CD1 3.8Å; K117-Y137 HydrophobicContact CG-CD2 4.29Å; K117-Y137 HydrophobicContact CG-CE1 3.57Å; K117-Y137 HydrophobicContact CG-CE2 4.09Å; K117-Y137 HydrophobicContact CG-CG 4.15Å |
| 118 | K | 84.6 | Confident | 92 | Very high | 170 Ų | 170 | 40.3 Ų | 40.3 | 74% | 0.739 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -22.2 | -178.7 | -65.3 | -174.4 | 177.5 | -176.2 | 0 | 113.8 | S116 T193 V194 | S116-K118 PolarHBondContact O-N 2.88Å; S116-K118 PolarHBondContact OG-N 3.44Å; K118-T193 WeakPolarHBondContact O-CA 3.26Å; K118-T193 WeakPolarHBondContact O-CB 3.5Å; K118-V194 WeakPolarHBondContact O-CG2 3.37Å; K118-V194 PolarHBondContact O-N 3.33Å |
| 119 | N | 87.4 | Confident | 91.9 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | 0.8 | -173.1 | 64.8 | 7.2 | 0 | 0 | 0 | 114.1 | D115 S116 C121 P192 | D115-N119 PolarHBondContact N-OD1 2.89Å; D115-N119 PolarHBondContact OD1-ND2 3.36Å; D115-N119 PolarHBondContact OD1-OD1 2.97Å; S116-N119 PolarHBondContact N-OD1 2.8Å; S116-N119 PolarHBondContact O-N 2.93Å; S116-N119 VanDerWaalsContact O-N 3.12Å; S116-N119 PolarHBondContact O-OD1 2.89Å; S116-N119 PolarHBondContact OG-OD1 3.11Å; S116-N119 VanDerWaalsContact OG-OD1 3.05Å; N119-C121 PolarHBondContact O-N 3.01Å; N119-P192 VanDerWaalsContact CB-O 3.28Å; N119-P192 WeakPolarHBondContact CB-O 2.94Å |
| 120 | L | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -73.9 | 127.3 | -175.6 | -166.3 | 142.6 | 0 | 0 | 0 | 111.7 | L78 L86 I112 Y113 S116 V122 P136 Y137 | L78-L120 HydrophobicContact CD1-CD1 3.25Å; L86-L120 HydrophobicContact CD2-CD2 3.74Å; I112-L120 HydrophobicContact CG2-CD1 3.87Å; I112-L120 HydrophobicContact CG2-CD2 4.2Å; I112-L120 HydrophobicContact CG2-CG 4.08Å; Y113-L120 CarbonylContact O-C 3.55Å; Y113-L120 VanDerWaalsContact O-CA 3.26Å; Y113-L120 WeakPolarHBondContact O-CA 3.42Å; S116-L120 VanDerWaalsContact O-CB 3.25Å; S116-L120 WeakPolarHBondContact O-CB 3.44Å; S116-L120 PolarHBondContact O-N 3.31Å; L120-V122 HydrophobicContact CD2-CG2 4.3Å; L120-P136 HydrophobicContact CD2-CB 4.15Å; L120-P136 HydrophobicContact CD2-CG 3.52Å; L120-Y137 HydrophobicContact CB-CD2 4.06Å; L120-Y137 HydrophobicContact CB-CE2 3.95Å; L120-Y137 HydrophobicContact CD1-CE2 4.13Å; L120-Y137 HydrophobicContact CD2-CD2 4.35Å; L120-Y137 HydrophobicContact CD2-CE2 4.04Å; L120-Y137 HydrophobicContact CG-CE2 4.25Å | ||
| 121 | C | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.9 | 178.2 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | Y113 N119 I133 L135 W197 | Y113-C121 PolarHBondContact N-O 2.82Å; Y113-C121 PolarHBondContact O-N 2.83Å; N119-C121 PolarHBondContact O-N 3.01Å; C121-I133 WeakPolarHBondContact SG-CG2 3.33Å; C121-L135 HydrophobicContact CB-CD2 4.13Å; C121-W197 HydrophobicContact CB-CD2 4.13Å; C121-W197 HydrophobicContact CB-CG 4.04Å; C121-W197 HydrophobicContact CB-CZ2 4.49Å |
| 122 | V | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.8 | 172.4 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | L80 L86 I112 L120 I133 W134 P136 | L80-V122 HydrophobicContact CD1-CG1 3.79Å; L80-V122 HydrophobicContact CD2-CG1 3.58Å; L80-V122 HydrophobicContact CG-CG1 4.32Å; L86-V122 HydrophobicContact CD1-CG2 4.35Å; L86-V122 HydrophobicContact CD2-CG2 4.46Å; I112-V122 HydrophobicContact CG1-CG2 4.46Å; L120-V122 HydrophobicContact CD2-CG2 4.3Å; V122-I133 WeakPolarHBondContact O-CA 3.47Å; V122-W134 HydrophobicContact CB-CD2 3.81Å; V122-W134 VanDerWaalsContact CB-CE2 3.43Å; V122-W134 HydrophobicContact CB-CE3 4.34Å; V122-W134 HydrophobicContact CB-CG 4.28Å; V122-W134 HydrophobicContact CB-CH2 4.28Å; V122-W134 HydrophobicContact CB-CZ2 3.72Å; V122-W134 HydrophobicContact CG1-CD2 4.27Å; V122-W134 HydrophobicContact CG1-CH2 4.38Å; V122-W134 HydrophobicContact CG1-CZ2 3.47Å; V122-W134 VanDerWaalsContact CG1-CZ2 3.47Å; V122-W134 VanDerWaalsContact CG1-NE1 3.34Å; V122-W134 HydrophobicContact CG2-CD2 4.47Å; V122-W134 HydrophobicContact CG2-CH2 4.12Å; V122-W134 HydrophobicContact CG2-CZ2 4.01Å; V122-W134 HydrophobicContact CG2-CZ3 4.38Å; V122-W134 PolarHBondContact N-O 3.07Å; V122-W134 PolarHBondContact O-N 2.84Å; V122-P136 HydrophobicContact CB-CG 4.5Å; V122-P136 HydrophobicContact CG2-CG 3.65Å |
| 123 | I | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.7 | 171.2 | -53.6 | -178.1 | 0 | 0 | 0 | 106.8 | G110 R111 Y113 V131 L132 I133 V157 F159 L166 W197 | G110-I123 CarbonylContact C-O 3.57Å; G110-I123 WeakPolarHBondContact CA-O 3.19Å; R111-I123 PolarHBondContact N-O 3.33Å; R111-I123 PolarHBondContact O-N 2.81Å; Y113-I123 HydrophobicContact CD2-CB 4.38Å; Y113-I123 HydrophobicContact CD2-CD1 3.83Å; Y113-I123 HydrophobicContact CD2-CG1 3.88Å; Y113-I123 HydrophobicContact CE2-CB 4.07Å; Y113-I123 HydrophobicContact CE2-CD1 3.72Å; Y113-I123 HydrophobicContact CE2-CG1 3.95Å; I123-V131 HydrophobicContact CG2-CG1 3.46Å; I123-V131 VanDerWaalsContact CG2-CG1 3.46Å; I123-L132 CarbonylContact C-O 3.53Å; I123-L132 VanDerWaalsContact CA-O 3.26Å; I123-L132 WeakPolarHBondContact CA-O 3.22Å; I123-I133 HydrophobicContact CG1-CG1 4.23Å; I123-I133 HydrophobicContact CG1-CG2 4.49Å; I123-I133 HydrophobicContact CG2-CG1 4.35Å; I123-V157 HydrophobicContact CB-CG2 4.3Å; I123-V157 HydrophobicContact CG2-CB 4.07Å; I123-V157 HydrophobicContact CG2-CG1 4.32Å; I123-V157 HydrophobicContact CG2-CG2 3.95Å; I123-V157 WeakPolarHBondContact O-CG2 2.94Å; I123-F159 HydrophobicContact CD1-CB 4.18Å; I123-F159 HydrophobicContact CD1-CG 4.44Å; I123-L166 HydrophobicContact CD1-CD1 4.22Å; I123-L166 HydrophobicContact CG2-CD1 4.14Å; I123-W197 HydrophobicContact CD1-CH2 4.12Å; I123-W197 HydrophobicContact CD1-CZ3 4.49Å |
| 124 | S | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.5 | -177.2 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | N84 S109 V131 L132 W134 | N84-S124 PolarHBondContact OD1-OG 2.96Å; S109-S124 CarbonylContact O-C 3.44Å; S109-S124 VanDerWaalsContact O-CA 3.32Å; S109-S124 WeakPolarHBondContact O-CA 3.49Å; S124-V131 CarbonylContact O-C 3.5Å; S124-V131 WeakPolarHBondContact O-CA 3.47Å; S124-L132 PolarHBondContact N-O 3.43Å; S124-L132 PolarHBondContact O-N 3.38Å; S124-W134 PolarHBondContact OG-NE1 2.81Å |
| 125 | G | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S107 Y108 S109 | S107-G125 CarbonylContact C-O 3.55Å; S107-G125 VanDerWaalsContact CA-O 3.27Å; S107-G125 WeakPolarHBondContact CA-O 3.14Å; Y108-G125 PolarHBondContact N-O 2.97Å; S109-G125 PolarHBondContact N-O 2.84Å; S109-G125 PolarHBondContact O-N 2.89Å; S109-G125 WeakPolarHBondContact OG-CA 3.49Å; S109-G125 PolarHBondContact OG-N 3.43Å |
| 126 | T | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 160.2 | -173 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | V106 K128 G129 C130 L132 V154 | V106-T126 WeakPolarHBondContact O-CA 3.32Å; T126-K128 PolarHBondContact O-N 3.33Å; T126-G129 PolarHBondContact O-N 3.28Å; T126-C130 HydrophobicContact CG2-CB 4.48Å; T126-C130 PolarHBondContact N-O 3.18Å; T126-C130 WeakPolarHBondContact OG1-CA 3.41Å; T126-C130 WeakPolarHBondContact OG1-CB 3.12Å; T126-C130 PolarHBondContact OG1-N 2.83Å; T126-C130 PolarHBondContact OG1-O 2.94Å; T126-L132 HydrophobicContact CG2-CD1 3.65Å; T126-L132 HydrophobicContact CG2-CD2 4.44Å; T126-L132 HydrophobicContact CG2-CG 3.77Å; T126-V154 PolarHBondContact O-N 3.44Å |
| 127 | A | 94.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 29% | 0.289 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114 | V106 Y108 | V106-A127 HydrophobicContact CB-CB 4.47Å; V106-A127 PolarHBondContact O-N 2.88Å; Y108-A127 HydrophobicContact CD2-CB 3.67Å; Y108-A127 HydrophobicContact CE2-CB 3.3Å |
| 128 | K | 92.1 | Very high | 93 | Very high | 175 Ų | 175 | 23.3 Ų | 23.3 | 76% | 0.761 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6 | -178.8 | -65.5 | -175 | 176.3 | -177.5 | 0 | 114 | T126 | T126-K128 PolarHBondContact O-N 3.33Š|
| 129 | G | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 87.2 | 6.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | T126 A149 H150 G152 | T126-G129 PolarHBondContact O-N 3.28Å; G129-A149 PolarHBondContact O-N 3.42Å; G129-H150 PolarHBondContact O-N 2.89Å; G129-G152 WeakPolarHBondContact CA-O 3.47Å; G129-G152 PolarHBondContact N-O 2.93Å |
| 130 | C | 96.9 | Very high | 91.8 | Very high | 12 Ų | 12 | 25 Ų | 25 | 8% | 0.081 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143.9 | 173.5 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | T126 L132 V146 L147 H148 | T126-C130 HydrophobicContact CG2-CB 4.48Å; T126-C130 PolarHBondContact N-O 3.18Å; T126-C130 WeakPolarHBondContact OG1-CA 3.41Å; T126-C130 WeakPolarHBondContact OG1-CB 3.12Å; T126-C130 PolarHBondContact OG1-N 2.83Å; T126-C130 PolarHBondContact OG1-O 2.94Å; C130-L132 HydrophobicContact CB-CD2 4.34Å; C130-V146 HydrophobicContact CB-CG1 4.24Å; C130-L147 CarbonylContact C-O 3.54Å; C130-L147 WeakPolarHBondContact CA-O 3.46Å; C130-H148 PolarHBondContact SG-ND1 2.86Å; C130-H148 VanDerWaalsContact SG-ND1 3.36Å |
| 131 | V | 97.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.6 | 163.3 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | I123 S124 L147 A149 V154 V157 L166 | I123-V131 HydrophobicContact CG2-CG1 3.46Å; I123-V131 VanDerWaalsContact CG2-CG1 3.46Å; S124-V131 CarbonylContact O-C 3.5Å; S124-V131 WeakPolarHBondContact O-CA 3.47Å; V131-L147 HydrophobicContact CB-CB 4.15Å; V131-L147 HydrophobicContact CB-CD1 4.28Å; V131-L147 HydrophobicContact CG1-CD1 4.32Å; V131-L147 PolarHBondContact N-O 3.32Å; V131-L147 PolarHBondContact O-N 3.49Å; V131-A149 HydrophobicContact CG2-CB 4.02Å; V131-V154 HydrophobicContact CG2-CG1 4.19Å; V131-V154 HydrophobicContact CG2-CG2 4.37Å; V131-V157 HydrophobicContact CG1-CG1 4.12Å; V131-V157 HydrophobicContact CG2-CG1 4.06Å; V131-L166 HydrophobicContact CG1-CD2 4.34Å |
| 132 | L | 96.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.1 | 178.2 | -50.8 | 178 | 0 | 0 | 0 | 109.1 | M103 I123 S124 T126 C130 V146 | M103-L132 HydrophobicContact CB-CD1 4.38Å; M103-L132 HydrophobicContact CG-CD1 4.45Å; M103-L132 HydrophobicContact SD-CD1 4.05Å; M103-L132 HydrophobicContact SD-CD2 3.51Å; M103-L132 VanDerWaalsContact SD-CD2 3.51Å; M103-L132 HydrophobicContact SD-CG 4.45Å; I123-L132 CarbonylContact C-O 3.53Å; I123-L132 VanDerWaalsContact CA-O 3.26Å; I123-L132 WeakPolarHBondContact CA-O 3.22Å; S124-L132 PolarHBondContact N-O 3.43Å; S124-L132 PolarHBondContact O-N 3.38Å; T126-L132 HydrophobicContact CG2-CD1 3.65Å; T126-L132 HydrophobicContact CG2-CD2 4.44Å; T126-L132 HydrophobicContact CG2-CG 3.77Å; C130-L132 HydrophobicContact CB-CD2 4.34Å; L132-V146 HydrophobicContact CD2-CB 4.3Å; L132-V146 HydrophobicContact CD2-CG1 3.93Å; L132-V146 HydrophobicContact CD2-CG2 3.92Å |
| 133 | I | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.4 | 169.5 | -55.4 | -174.2 | 0 | 0 | 0 | 106.6 | C121 V122 I123 A144 H145 L147 L166 W197 L202 | C121-I133 WeakPolarHBondContact SG-CG2 3.33Å; V122-I133 WeakPolarHBondContact O-CA 3.47Å; I123-I133 HydrophobicContact CG1-CG1 4.23Å; I123-I133 HydrophobicContact CG1-CG2 4.49Å; I123-I133 HydrophobicContact CG2-CG1 4.35Å; I133-A144 WeakPolarHBondContact O-CA 3.48Å; I133-A144 WeakPolarHBondContact O-CB 3.17Å; I133-A144 PolarHBondContact O-N 3.46Å; I133-H145 HydrophobicContact CB-CB 4.08Å; I133-H145 HydrophobicContact CD1-CB 4.36Å; I133-H145 HydrophobicContact CG1-CB 4.35Å; I133-H145 PolarHBondContact N-O 2.98Å; I133-H145 PolarHBondContact O-N 2.64Å; I133-L147 HydrophobicContact CD1-CD1 4.3Å; I133-L166 HydrophobicContact CD1-CD2 4.41Å; I133-W197 HydrophobicContact CD1-CZ3 4.21Å; I133-W197 HydrophobicContact CG2-CE3 3.87Å; I133-W197 HydrophobicContact CG2-CZ3 4.25Å; I133-L202 HydrophobicContact CD1-CD1 4.45Å; I133-L202 HydrophobicContact CD1-CD2 3.3Å |
| 134 | W | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.7 | -174.2 | 58 | -83.3 | 0 | 0 | 0 | 112.2 | L80 N84 L86 C101 V122 S124 P136 V141 K142 V143 | L80-W134 HydrophobicContact CD1-CH2 4.22Å; L80-W134 HydrophobicContact CD1-CZ2 3.63Å; N84-W134 HydrophobicContact CB-CZ2 4.34Å; L86-W134 HydrophobicContact CB-CH2 3.78Å; L86-W134 HydrophobicContact CB-CZ3 4.19Å; C101-W134 HydrophobicContact CB-CD2 3.9Å; C101-W134 HydrophobicContact CB-CE3 4.02Å; C101-W134 HydrophobicContact CB-CG 4.35Å; C101-W134 HydrophobicContact CB-CH2 4.33Å; C101-W134 HydrophobicContact CB-CZ2 4.22Å; C101-W134 HydrophobicContact CB-CZ3 4.23Å; V122-W134 HydrophobicContact CB-CD2 3.81Å; V122-W134 VanDerWaalsContact CB-CE2 3.43Å; V122-W134 HydrophobicContact CB-CE3 4.34Å; V122-W134 HydrophobicContact CB-CG 4.28Å; V122-W134 HydrophobicContact CB-CH2 4.28Å; V122-W134 HydrophobicContact CB-CZ2 3.72Å; V122-W134 HydrophobicContact CG1-CD2 4.27Å; V122-W134 HydrophobicContact CG1-CH2 4.38Å; V122-W134 HydrophobicContact CG1-CZ2 3.47Å; V122-W134 VanDerWaalsContact CG1-CZ2 3.47Å; V122-W134 VanDerWaalsContact CG1-NE1 3.34Å; V122-W134 HydrophobicContact CG2-CD2 4.47Å; V122-W134 HydrophobicContact CG2-CH2 4.12Å; V122-W134 HydrophobicContact CG2-CZ2 4.01Å; V122-W134 HydrophobicContact CG2-CZ3 4.38Å; V122-W134 PolarHBondContact N-O 3.07Å; V122-W134 PolarHBondContact O-N 2.84Å; S124-W134 PolarHBondContact OG-NE1 2.81Å; W134-P136 HydrophobicContact CE3-CB 4.43Å; W134-P136 HydrophobicContact CE3-CG 3.76Å; W134-P136 HydrophobicContact CH2-CG 4.4Å; W134-P136 HydrophobicContact CZ3-CB 4.03Å; W134-P136 HydrophobicContact CZ3-CG 3.59Å; W134-P136 WeakPolarHBondContact O-CD 3.34Å; W134-V141 HydrophobicContact CE3-CG1 3.44Å; W134-V141 VanDerWaalsContact CE3-CG1 3.44Å; W134-V141 HydrophobicContact CZ3-CG1 3.6Å; W134-K142 WeakPolarHBondContact CA-O 3.49Å; W134-V143 HydrophobicContact CB-CG2 4.21Å |
| 135 | L | 93.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -118.1 | 94.4 | -164.3 | -60.2 | 175.1 | 0 | 0 | 0 | 110.1 | C121 Y137 E138 K142 A144 V194 W197 R198 | C121-L135 HydrophobicContact CB-CD2 4.13Å; L135-Y137 PolarHBondContact O-N 2.76Å; L135-Y137 VanDerWaalsContact O-N 3.1Å; L135-E138 HydrophobicContact CB-CB 4.26Å; L135-E138 HydrophobicContact CB-CG 4.16Å; L135-E138 VanDerWaalsContact CD1-OE1 3.28Å; L135-E138 WeakPolarHBondContact CD1-OE1 3.42Å; L135-E138 PolarHBondContact O-N 3.31Å; L135-K142 PolarHBondContact N-O 2.83Å; L135-K142 VanDerWaalsContact N-O 3.11Å; L135-A144 HydrophobicContact CD1-CB 3.93Å; L135-A144 HydrophobicContact CG-CB 4.16Å; L135-V194 HydrophobicContact CB-CG1 4.26Å; L135-V194 HydrophobicContact CD1-CG1 4.02Å; L135-V194 WeakPolarHBondContact CD1-O 3.38Å; L135-V194 HydrophobicContact CD2-CG1 4.34Å; L135-V194 HydrophobicContact CG-CG1 4.42Å; L135-W197 HydrophobicContact CD1-CB 4.48Å; L135-W197 HydrophobicContact CD2-CB 3.7Å; L135-W197 HydrophobicContact CD2-CG 4.26Å; L135-R198 HydrophobicContact CD1-CB 4.02Å | ||
| 136 | P | 90.6 | Very high | 90 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.2 | -170.3 | -24.3 | 34.9 | 0 | 0 | 0 | 115.6 | L86 R99 L120 V122 W134 | L86-P136 HydrophobicContact CB-CB 4.46Å; L86-P136 HydrophobicContact CD2-CB 3.51Å; L86-P136 HydrophobicContact CD2-CG 3.58Å; R99-P136 WeakPolarHBondContact CD-O 3.42Å; L120-P136 HydrophobicContact CD2-CB 4.15Å; L120-P136 HydrophobicContact CD2-CG 3.52Å; V122-P136 HydrophobicContact CB-CG 4.5Å; V122-P136 HydrophobicContact CG2-CG 3.65Å; W134-P136 HydrophobicContact CE3-CB 4.43Å; W134-P136 HydrophobicContact CE3-CG 3.76Å; W134-P136 HydrophobicContact CH2-CG 4.4Å; W134-P136 HydrophobicContact CZ3-CB 4.03Å; W134-P136 HydrophobicContact CZ3-CG 3.59Å; W134-P136 WeakPolarHBondContact O-CD 3.34Å |
| 137 | Y | 86.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 38.8 Ų | 38.8 | 20% | 0.196 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 13.9 | -176.9 | -66.2 | -76.7 | 0 | 0 | 0 | 113.5 | E88 K117 L120 L135 | E88-Y137 PolarHBondContact OE2-OH 2.83Å; K117-Y137 HydrophobicContact CB-CD1 4.05Å; K117-Y137 HydrophobicContact CB-CD2 4.12Å; K117-Y137 HydrophobicContact CB-CE1 4.29Å; K117-Y137 HydrophobicContact CB-CE2 4.36Å; K117-Y137 HydrophobicContact CB-CG 3.95Å; K117-Y137 HydrophobicContact CD-CD1 3.79Å; K117-Y137 HydrophobicContact CD-CE1 3.62Å; K117-Y137 HydrophobicContact CG-CD1 3.8Å; K117-Y137 HydrophobicContact CG-CD2 4.29Å; K117-Y137 HydrophobicContact CG-CE1 3.57Å; K117-Y137 HydrophobicContact CG-CE2 4.09Å; K117-Y137 HydrophobicContact CG-CG 4.15Å; L120-Y137 HydrophobicContact CB-CD2 4.06Å; L120-Y137 HydrophobicContact CB-CE2 3.95Å; L120-Y137 HydrophobicContact CD1-CE2 4.13Å; L120-Y137 HydrophobicContact CD2-CD2 4.35Å; L120-Y137 HydrophobicContact CD2-CE2 4.04Å; L120-Y137 HydrophobicContact CG-CE2 4.25Å; L135-Y137 PolarHBondContact O-N 2.76Å; L135-Y137 VanDerWaalsContact O-N 3.1Å |
| 138 | E | 79.4 | Confident | 89.8 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.121 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -103.2 | 116.7 | 171.6 | -82.7 | -169.6 | -165.5 | 0 | 0 | 111.7 | L135 D140 V141 V194 R198 | L135-E138 HydrophobicContact CB-CB 4.26Å; L135-E138 HydrophobicContact CB-CG 4.16Å; L135-E138 VanDerWaalsContact CD1-OE1 3.28Å; L135-E138 WeakPolarHBondContact CD1-OE1 3.42Å; L135-E138 PolarHBondContact O-N 3.31Å; E138-D140 PolarHBondContact O-N 3.02Å; E138-V141 VanDerWaalsContact O-CA 3.24Å; E138-V141 WeakPolarHBondContact O-CA 3.25Å; E138-V141 PolarHBondContact O-N 2.77Å; E138-V194 HydrophobicContact CG-CG1 3.62Å; E138-V194 WeakPolarHBondContact OE1-CG1 3.43Å; E138-R198 IonicContact OE1-CZ 3.94Å; E138-R198 IonicContact OE1-NE 3.57Å; E138-R198 PolarHBondContact OE1-NE 2.77Å; E138-R198 IonicContact OE1-NH2 2.82Å; E138-R198 PolarHBondContact OE1-NH2 3.43Å; E138-R198 IonicContact OE2-CZ 2.86Å; E138-R198 IonicContact OE2-NE 3.3Å; E138-R198 PolarHBondContact OE2-NE 2.87Å; E138-R198 VanDerWaalsContact OE2-NE 3.08Å; E138-R198 IonicContact OE2-NH2 2.87Å; E138-R198 PolarHBondContact OE2-NH2 3.2Å |
| 139 | G | 73.6 | Confident | 89.5 | Confident | 81 Ų | 81 | 36.7 Ų | 36.7 | 84% | 0.835 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 37.7 | -122.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V141 | G139-V141 PolarHBondContact O-N 3.11Å; G139-V141 VanDerWaalsContact O-N 3.11Å |
| 140 | D | 72 | Confident | 89.5 | Confident | 141 Ų | 141 | 37.5 Ų | 37.5 | 75% | 0.754 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 23.6 | 177.4 | -60.9 | -41.3 | 0 | 0 | 0 | 114.8 | E138 | E138-D140 PolarHBondContact O-N 3.02Š|
| 141 | V | 80.9 | Confident | 89.2 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 66.3 | 179 | -169.7 | 0 | 0 | 0 | 0 | 112.3 | R99 R100 E102 W134 E138 G139 | R99-V141 HydrophobicContact CB-CG2 4.02Å; R100-V141 VanDerWaalsContact O-CB 3.26Å; R100-V141 WeakPolarHBondContact O-CB 3.21Å; E102-V141 WeakPolarHBondContact CB-O 3.25Å; E102-V141 PolarHBondContact N-O 2.94Å; E102-V141 VanDerWaalsContact N-O 3.11Å; W134-V141 HydrophobicContact CE3-CG1 3.44Å; W134-V141 VanDerWaalsContact CE3-CG1 3.44Å; W134-V141 HydrophobicContact CZ3-CG1 3.6Å; E138-V141 VanDerWaalsContact O-CA 3.24Å; E138-V141 WeakPolarHBondContact O-CA 3.25Å; E138-V141 PolarHBondContact O-N 2.77Å; G139-V141 PolarHBondContact O-N 3.11Å; G139-V141 VanDerWaalsContact O-N 3.11Å |
| 142 | K | 81.2 | Confident | 88.9 | Confident | 117 Ų | 117 | 46.4 Ų | 46.4 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | trans | -68.9 | 146.4 | -175.8 | -66.4 | -170.3 | 175 | -172.9 | 0 | 113 | W134 L135 | W134-K142 WeakPolarHBondContact CA-O 3.49Å; L135-K142 PolarHBondContact N-O 2.83Å; L135-K142 VanDerWaalsContact N-O 3.11Å | ||
| 143 | V | 90.8 | Very high | 89 | Confident | 30 Ų | 30 | 47 Ų | 47 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.5 | 164 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | C101 M103 W134 H145 V146 | C101-V143 WeakPolarHBondContact SG-CG2 3.28Å; M103-V143 HydrophobicContact CB-CG2 3.79Å; W134-V143 HydrophobicContact CB-CG2 4.21Å; V143-H145 VanDerWaalsContact CG1-O 3.29Å; V143-H145 WeakPolarHBondContact CG1-O 3.37Å; V143-V146 HydrophobicContact CG1-CG2 3.66Å |
| 144 | A | 90.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 47 Ų | 47 | 22% | 0.215 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I133 L135 | I133-A144 WeakPolarHBondContact O-CA 3.48Å; I133-A144 WeakPolarHBondContact O-CB 3.17Å; I133-A144 PolarHBondContact O-N 3.46Å; L135-A144 HydrophobicContact CD1-CB 3.93Å; L135-A144 HydrophobicContact CG-CB 4.16Å |
| 145 | H | 94.6 | Very high | 89.2 | Confident | 35 Ų | 35 | 48.4 Ų | 48.4 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140.1 | -177.9 | -54.8 | -78.3 | 0 | 0 | 0 | 112.3 | I133 V143 L147 W197 A200 L202 | I133-H145 HydrophobicContact CB-CB 4.08Å; I133-H145 HydrophobicContact CD1-CB 4.36Å; I133-H145 HydrophobicContact CG1-CB 4.35Å; I133-H145 PolarHBondContact N-O 2.98Å; I133-H145 PolarHBondContact O-N 2.64Å; V143-H145 VanDerWaalsContact CG1-O 3.29Å; V143-H145 WeakPolarHBondContact CG1-O 3.37Å; H145-L147 HydrophobicContact CB-CD2 4.17Å; H145-W197 PolarHBondContact NE2-O 3.08Å; H145-A200 PolarHBondContact CE1-O 2.94Å; H145-A200 PolarHBondContact NE2-O 2.86Å; H145-L202 HydrophobicContact CB-CD1 4.23Å; H145-L202 VanDerWaalsContact CG-CD1 3.49Å |
| 146 | V | 94.9 | Very high | 89.4 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 109.2 | 169 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | M103 C130 L132 V143 | M103-V146 HydrophobicContact SD-CG2 4.21Å; C130-V146 HydrophobicContact CB-CG1 4.24Å; L132-V146 HydrophobicContact CD2-CB 4.3Å; L132-V146 HydrophobicContact CD2-CG1 3.93Å; L132-V146 HydrophobicContact CD2-CG2 3.92Å; V143-V146 HydrophobicContact CG1-CG2 3.66Å |
| 147 | L | 95.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.068 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.2 | -179.8 | -45.9 | 178 | 0 | 0 | 0 | 109.2 | C130 V131 I133 H145 A149 L166 W178 L202 | C130-L147 CarbonylContact C-O 3.54Å; C130-L147 WeakPolarHBondContact CA-O 3.46Å; V131-L147 HydrophobicContact CB-CB 4.15Å; V131-L147 HydrophobicContact CB-CD1 4.28Å; V131-L147 HydrophobicContact CG1-CD1 4.32Å; V131-L147 PolarHBondContact N-O 3.32Å; V131-L147 PolarHBondContact O-N 3.49Å; I133-L147 HydrophobicContact CD1-CD1 4.3Å; H145-L147 HydrophobicContact CB-CD2 4.17Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.47Å; L147-L166 HydrophobicContact CD1-CD2 3.84Å; L147-W178 HydrophobicContact CB-CH2 3.81Å; L147-W178 HydrophobicContact CB-CZ2 3.91Å; L147-W178 HydrophobicContact CB-CZ3 4.19Å; L147-W178 HydrophobicContact CD1-CD2 3.97Å; L147-W178 HydrophobicContact CD1-CE3 4.02Å; L147-W178 HydrophobicContact CD1-CG 4.44Å; L147-W178 HydrophobicContact CD1-CZ3 4.33Å; L147-W178 HydrophobicContact CD2-CE3 4.29Å; L147-W178 HydrophobicContact CD2-CH2 4.39Å; L147-W178 HydrophobicContact CD2-CZ3 3.96Å; L147-W178 HydrophobicContact CG-CH2 4.49Å; L147-W178 HydrophobicContact CG-CZ3 4.39Å; L147-L202 HydrophobicContact CD1-CD2 3.7Å; L147-L202 HydrophobicContact CD2-CB 3.96Å; L147-L202 HydrophobicContact CD2-CD2 4.06Å; L147-L202 HydrophobicContact CD2-CG 4.47Å; L147-L202 HydrophobicContact CG-CD2 4.42Å |
| 148 | H | 92.7 | Very high | 90.2 | Very high | 153 Ų | 153 | 46.3 Ų | 46.3 | 71% | 0.708 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 78.6 | 172.7 | -66.5 | -80.1 | 0 | 0 | 0 | 109.7 | C130 | C130-H148 PolarHBondContact SG-ND1 2.86Å; C130-H148 VanDerWaalsContact SG-ND1 3.36Å |
| 149 | A | 86.4 | Confident | 90.9 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | trans | -86.9 | -31.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G129 V131 L147 W178 | G129-A149 PolarHBondContact O-N 3.42Å; V131-A149 HydrophobicContact CG2-CB 4.02Å; L147-A149 VanDerWaalsContact C-N 3.29Å; L147-A149 PolarHBondContact O-N 3.47Å; A149-W178 HydrophobicContact CB-CZ2 3.69Å | ||
| 150 | H | 93.9 | Very high | 91.7 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | trans | -141.6 | 160.9 | -166.4 | -71.1 | -71.3 | 0 | 0 | 0 | 112.2 | G129 V154 S168 S170 D172 S174 S176 | G129-H150 PolarHBondContact O-N 2.89Å; H150-V154 HydrophobicContact CB-CG2 4.29Å; H150-S168 PolarHBondContact CD2-OG 2.92Å; H150-S168 WeakPolarHBondContact NE2-CB 3.2Å; H150-S168 PolarHBondContact NE2-O 3.2Å; H150-S168 PolarHBondContact NE2-OG 2.92Å; H150-S170 WeakPolarHBondContact CB-OG 3.25Å; H150-S170 WeakPolarHBondContact ND1-CB 3.41Å; H150-D172 VanDerWaalsContact CA-OD2 3.3Å; H150-D172 WeakPolarHBondContact CA-OD2 3.14Å; H150-D172 WeakPolarHBondContact CB-OD2 3.38Å; H150-D172 IonicContact CG-OD2 3.24Å; H150-D172 IonicContact ND1-OD1 3.71Å; H150-D172 PolarHBondContact ND1-OD1 2.86Å; H150-D172 IonicContact ND1-OD2 3.77Å; H150-D172 PolarHBondContact ND1-OD2 3.13Å; H150-D172 VanDerWaalsContact ND1-OD2 3.13Å; H150-S174 PolarHBondContact CE1-OG 2.86Å; H150-S174 VanDerWaalsContact CE1-OG 3.28Å; H150-S174 PolarHBondContact ND1-OG 2.8Å; H150-S174 VanDerWaalsContact ND1-OG 3.13Å; H150-S176 VanDerWaalsContact CE1-CB 3.46Å; H150-S176 WeakPolarHBondContact CE1-CB 3.37Å; H150-S176 WeakPolarHBondContact NE2-CB 3.31Å | ||
| 151 | R | 90.3 | Very high | 92.4 | Very high | 187 Ų | 187 | 38.5 Ų | 38.5 | 71% | 0.706 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -97.4 | 1.6 | 174.4 | -66.2 | -172.1 | 179.7 | 166.6 | 4.9 | 113.6 | D172 | R151-D172 PolarHBondContact N-OD2 2.89Š|
| 152 | G | 92.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -139 | -179.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G129 V154 S170 | G129-G152 WeakPolarHBondContact CA-O 3.47Å; G129-G152 PolarHBondContact N-O 2.93Å; G152-V154 PolarHBondContact O-N 3.08Å; G152-S170 PolarHBondContact O-OG 2.97Å |
| 153 | A | 97.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | trans | -56.4 | 135.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y108 F155 S170 D171 | Y108-A153 HydrophobicContact CD2-CB 3.55Å; Y108-A153 HydrophobicContact CE2-CB 3.82Å; A153-F155 HydrophobicContact CB-CD1 4.49Å; A153-F155 HydrophobicContact CB-CE1 3.87Å; A153-F155 HydrophobicContact CB-CZ 3.99Å; A153-S170 CarbonylContact O-C 3.47Å; A153-S170 VanDerWaalsContact O-CA 3.22Å; A153-S170 WeakPolarHBondContact O-CA 3.19Å; A153-S170 PolarHBondContact O-OG 3.03Å; A153-D171 HydrophobicContact CB-CB 4.24Å; A153-D171 PolarHBondContact O-N 2.64Å | ||
| 154 | V | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.5 | 176.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | S109 T126 V131 H150 G152 V157 T169 | S109-V154 PolarHBondContact OG-O 2.92Å; T126-V154 PolarHBondContact O-N 3.44Å; V131-V154 HydrophobicContact CG2-CG1 4.19Å; V131-V154 HydrophobicContact CG2-CG2 4.37Å; H150-V154 HydrophobicContact CB-CG2 4.29Å; G152-V154 PolarHBondContact O-N 3.08Å; V154-V157 HydrophobicContact CG1-CG1 3.87Å; V154-T169 CarbonylContact C-O 3.46Å; V154-T169 VanDerWaalsContact CA-O 3.29Å; V154-T169 WeakPolarHBondContact CA-O 3.38Å; V154-T169 WeakPolarHBondContact CG1-O 3.18Å |
| 155 | F | 97.6 | Very high | 93 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -18.7 | -172.4 | -66.6 | -49.2 | 0 | 0 | 0 | 115.2 | S109 A153 T169 D171 R214 W216 | S109-F155 VanDerWaalsContact CB-C 3.41Å; S109-F155 VanDerWaalsContact CB-O 3.25Å; S109-F155 WeakPolarHBondContact CB-O 2.97Å; A153-F155 HydrophobicContact CB-CD1 4.49Å; A153-F155 HydrophobicContact CB-CE1 3.87Å; A153-F155 HydrophobicContact CB-CZ 3.99Å; F155-T169 PolarHBondContact N-O 2.79Å; F155-D171 HydrophobicContact CD2-CB 4.46Å; F155-D171 VanDerWaalsContact CE2-CA 3.48Å; F155-D171 HydrophobicContact CE2-CB 3.54Å; F155-D171 HydrophobicContact CZ-CB 3.86Å; F155-R214 HydrophobicContact CE2-CB 4.08Å; F155-R214 HydrophobicContact CE2-CG 4.18Å; F155-W216 HydrophobicContact CB-CE3 3.99Å; F155-W216 HydrophobicContact CB-CZ3 4.42Å; F155-W216 HydrophobicContact CD1-CE3 4.02Å; F155-W216 AromaticContact CD1-CZ3 3.59Å; F155-W216 HydrophobicContact CD1-CZ3 3.59Å; F155-W216 AromaticContact CD2-CE3 3.72Å; F155-W216 HydrophobicContact CD2-CE3 3.72Å; F155-W216 HydrophobicContact CD2-CH2 4.41Å; F155-W216 AromaticContact CD2-CZ3 3.62Å; F155-W216 HydrophobicContact CD2-CZ3 3.62Å; F155-W216 HydrophobicContact CE1-CE3 4.44Å; F155-W216 HydrophobicContact CE1-CH2 4.3Å; F155-W216 AromaticContact CE1-CZ3 3.58Å; F155-W216 HydrophobicContact CE1-CZ3 3.58Å; F155-W216 HydrophobicContact CE2-CE3 4.13Å; F155-W216 AromaticContact CE2-CH2 3.97Å; F155-W216 HydrophobicContact CE2-CH2 3.97Å; F155-W216 AromaticContact CE2-CZ3 3.56Å; F155-W216 HydrophobicContact CE2-CZ3 3.56Å; F155-W216 AromaticContact CG-CE3 3.65Å; F155-W216 HydrophobicContact CG-CE3 3.65Å; F155-W216 AromaticContact CG-CZ3 3.62Å; F155-W216 HydrophobicContact CG-CZ3 3.62Å; F155-W216 HydrophobicContact CZ-CE3 4.48Å; F155-W216 AromaticContact CZ-CH2 3.93Å; F155-W216 HydrophobicContact CZ-CH2 3.93Å; F155-W216 AromaticContact CZ-CZ3 3.56Å; F155-W216 HydrophobicContact CZ-CZ3 3.56Å |
| 156 | D | 97.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 156.6 | 169.7 | -161.3 | 10.6 | 0 | 0 | 0 | 111 | R111 S168 T169 R217 A218 | R111-D156 IonicContact CZ-OD1 2.93Å; R111-D156 IonicContact CZ-OD2 3.7Å; R111-D156 IonicContact NE-OD1 2.63Å; R111-D156 PolarHBondContact NE-OD1 3.06Å; R111-D156 VanDerWaalsContact NE-OD1 3.13Å; R111-D156 IonicContact NH2-OD1 3.65Å; R111-D156 PolarHBondContact NH2-OD1 3.24Å; R111-D156 IonicContact NH2-OD2 3.05Å; R111-D156 PolarHBondContact NH2-OD2 2.89Å; D156-S168 WeakPolarHBondContact O-CA 3.44Å; D156-T169 VanDerWaalsContact CB-OG1 3.32Å; D156-T169 WeakPolarHBondContact CB-OG1 3.36Å; D156-T169 PolarHBondContact N-OG1 2.65Å; D156-T169 VanDerWaalsContact N-OG1 3.11Å; D156-T169 PolarHBondContact O-N 3.33Å; D156-T169 PolarHBondContact O-OG1 3.07Å; D156-R217 WeakPolarHBondContact OD2-CA 3.32Å; D156-R217 WeakPolarHBondContact OD2-CD 3.37Å; D156-A218 PolarHBondContact OD2-N 2.64Å; D156-A218 VanDerWaalsContact OD2-N 3.13Å |
| 157 | V | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.9 | 174 | -67.2 | 0 | 0 | 0 | 0 | 108.3 | R111 I123 V131 V154 L166 C167 | R111-V157 HydrophobicContact CB-CG2 4.44Å; R111-V157 WeakPolarHBondContact CD-O 3.4Å; R111-V157 HydrophobicContact CG-CG2 4.22Å; R111-V157 WeakPolarHBondContact CG-O 3.38Å; R111-V157 PolarHBondContact NE-O 3.13Å; I123-V157 HydrophobicContact CB-CG2 4.3Å; I123-V157 HydrophobicContact CG2-CB 4.07Å; I123-V157 HydrophobicContact CG2-CG1 4.32Å; I123-V157 HydrophobicContact CG2-CG2 3.95Å; I123-V157 WeakPolarHBondContact O-CG2 2.94Å; V131-V157 HydrophobicContact CG1-CG1 4.12Å; V131-V157 HydrophobicContact CG2-CG1 4.06Å; V154-V157 HydrophobicContact CG1-CG1 3.87Å; V157-L166 HydrophobicContact CB-CD1 4.39Å; V157-C167 CarbonylContact C-O 3.55Å; V157-C167 WeakPolarHBondContact CA-O 3.28Å |
| 158 | A | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L166 C167 A218 F220 | A158-L166 CarbonylContact O-C 3.58Å; A158-L166 WeakPolarHBondContact O-CA 3.37Å; A158-L166 VanDerWaalsContact O-CD1 3.27Å; A158-L166 WeakPolarHBondContact O-CD1 3.44Å; A158-C167 PolarHBondContact N-O 3.45Å; A158-C167 PolarHBondContact O-N 2.82Å; A158-A218 WeakPolarHBondContact CB-O 3.33Å; A158-F220 HydrophobicContact CB-CD2 3.98Å; A158-F220 HydrophobicContact CB-CE2 4.1Å; A158-F220 WeakPolarHBondContact O-CE2 3.22Å |
| 159 | F | 94.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 29 Ų | 29 | 10% | 0.101 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.7 | -179 | 169.3 | -115.8 | 0 | 0 | 0 | 109.6 | Y113 I123 A161 L165 L166 I180 W197 | Y113-F159 HydrophobicContact CD1-CB 4.44Å; Y113-F159 AromaticContact CD1-CD1 3.92Å; Y113-F159 HydrophobicContact CD1-CD1 3.92Å; Y113-F159 HydrophobicContact CE1-CB 3.79Å; Y113-F159 HydrophobicContact CE1-CD1 4.08Å; Y113-F159 HydrophobicContact CE1-CG 4.45Å; Y113-F159 HydrophobicContact CE2-CB 4.01Å; Y113-F159 HydrophobicContact CG-CD1 4.22Å; Y113-F159 PolarHBondContact OH-N 3.07Å; I123-F159 HydrophobicContact CD1-CB 4.18Å; I123-F159 HydrophobicContact CD1-CG 4.44Å; F159-A161 HydrophobicContact CE1-CB 3.82Å; F159-A161 HydrophobicContact CZ-CB 4.08Å; F159-L165 WeakPolarHBondContact CA-O 3.38Å; F159-L165 VanDerWaalsContact CD2-O 3.25Å; F159-L165 WeakPolarHBondContact CD2-O 3.29Å; F159-L166 HydrophobicContact CB-CD1 4.39Å; F159-L166 HydrophobicContact CD2-CB 4.35Å; F159-I180 HydrophobicContact CD2-CD1 3.66Å; F159-I180 HydrophobicContact CE2-CD1 3.45Å; F159-I180 VanDerWaalsContact CE2-CD1 3.45Å; F159-I180 HydrophobicContact CZ-CD1 4.41Å; F159-W197 HydrophobicContact CD1-CH2 4.11Å; F159-W197 HydrophobicContact CD1-CZ2 4.19Å; F159-W197 HydrophobicContact CD2-CH2 4.34Å; F159-W197 AromaticContact CE1-CH2 3.71Å; F159-W197 HydrophobicContact CE1-CH2 3.71Å; F159-W197 AromaticContact CE1-CZ2 3.61Å; F159-W197 HydrophobicContact CE1-CZ2 3.61Å; F159-W197 AromaticContact CE2-CH2 3.98Å; F159-W197 HydrophobicContact CE2-CH2 3.98Å; F159-W197 HydrophobicContact CG-CH2 4.41Å; F159-W197 AromaticContact CZ-CH2 3.63Å; F159-W197 HydrophobicContact CZ-CH2 3.63Å; F159-W197 AromaticContact CZ-CZ2 3.86Å; F159-W197 HydrophobicContact CZ-CZ2 3.86Å |
| 160 | C | 91.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 17% | 0.169 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 106.2 | 173 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | K162 R163 R164 L165 F220 | C160-K162 PolarHBondContact O-N 3.34Å; C160-R163 HydrophobicContact CB-CB 4.41Å; C160-R163 PolarHBondContact O-N 3.03Å; C160-R164 WeakPolarHBondContact O-CA 3.36Å; C160-R164 PolarHBondContact O-N 3.44Å; C160-L165 PolarHBondContact N-O 3.47Å; C160-L165 PolarHBondContact O-N 2.89Å; C160-F220 HydrophobicContact CB-CB 3.94Å; C160-F220 HydrophobicContact CB-CD1 3.7Å; C160-F220 HydrophobicContact CB-CD2 3.76Å; C160-F220 HydrophobicContact CB-CE1 4.13Å; C160-F220 HydrophobicContact CB-CE2 4.18Å; C160-F220 HydrophobicContact CB-CG 3.51Å; C160-F220 HydrophobicContact CB-CZ 4.36Å |
| 161 | A | 86.2 | Confident | 94.2 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 30% | 0.298 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -42.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | F159 R163 R164 | F159-A161 HydrophobicContact CE1-CB 3.82Å; F159-A161 HydrophobicContact CZ-CB 4.08Å; A161-R163 PolarHBondContact O-N 3.29Å; A161-R164 WeakPolarHBondContact O-CG 3.36Å; A161-R164 PolarHBondContact O-N 2.78Å |
| 162 | K | 84.8 | Confident | 94.4 | Very high | 133 Ų | 133 | 23 Ų | 23 | 58% | 0.578 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -46.7 | -179.1 | -174.9 | 178.9 | 179.6 | -178.5 | 0 | 111.9 | C160 | C160-K162 PolarHBondContact O-N 3.34Š|
| 163 | R | 87.7 | Confident | 94.5 | Very high | 59 Ų | 59 | 28.3 Ų | 28.3 | 22% | 0.223 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.9 | -179.2 | -68.9 | 167.8 | 54.8 | -149.2 | -21.1 | 113.3 | C160 A161 L165 S221 G224 D239 | C160-R163 HydrophobicContact CB-CB 4.41Å; C160-R163 PolarHBondContact O-N 3.03Å; A161-R163 PolarHBondContact O-N 3.29Å; R163-L165 HydrophobicContact CB-CD1 4.16Å; R163-L165 HydrophobicContact CB-CG 4.26Å; R163-L165 VanDerWaalsContact NH2-CD1 3.26Å; R163-L165 PolarHBondContact O-N 3.31Å; R163-S221 PolarHBondContact NH1-O 3.26Å; R163-G224 PolarHBondContact NH1-O 2.83Å; R163-D239 VanDerWaalsContact CZ-CG 3.41Å; R163-D239 IonicContact CZ-OD1 3.96Å; R163-D239 IonicContact CZ-OD2 3.04Å; R163-D239 IonicContact NE-OD1 3.35Å; R163-D239 IonicContact NE-OD2 2.89Å; R163-D239 PolarHBondContact NE-OD2 2.91Å; R163-D239 IonicContact NH1-OD1 2.82Å; R163-D239 IonicContact NH2-OD1 2.77Å; R163-D239 PolarHBondContact NH2-OD1 3.11Å; R163-D239 IonicContact NH2-OD2 2.61Å; R163-D239 PolarHBondContact NH2-OD2 2.94Å |
| 164 | R | 89.8 | Confident | 94.2 | Very high | 51 Ų | 51 | 27.9 Ų | 27.9 | 19% | 0.192 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 40.8 | -174.3 | -54.8 | -176.3 | -178.7 | -172.2 | 1.1 | 113.5 | C160 A161 I180 F182 M185 | C160-R164 WeakPolarHBondContact O-CA 3.36Å; C160-R164 PolarHBondContact O-N 3.44Å; A161-R164 WeakPolarHBondContact O-CG 3.36Å; A161-R164 PolarHBondContact O-N 2.78Å; R164-I180 WeakPolarHBondContact CB-O 3.1Å; R164-I180 WeakPolarHBondContact CD-O 3.47Å; R164-I180 PolarHBondContact O-N 2.83Å; R164-F182 HydrophobicContact CG-CE2 4.47Å; R164-M185 PolarHBondContact NH2-O 2.81Å |
| 165 | L | 93.3 | Very high | 94 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.9 | 179.6 | -67.2 | 174 | 0 | 0 | 0 | 110.3 | F159 C160 R163 W178 R179 L205 F220 | F159-L165 WeakPolarHBondContact CA-O 3.38Å; F159-L165 VanDerWaalsContact CD2-O 3.25Å; F159-L165 WeakPolarHBondContact CD2-O 3.29Å; C160-L165 PolarHBondContact N-O 3.47Å; C160-L165 PolarHBondContact O-N 2.89Å; R163-L165 HydrophobicContact CB-CD1 4.16Å; R163-L165 HydrophobicContact CB-CG 4.26Å; R163-L165 VanDerWaalsContact NH2-CD1 3.26Å; R163-L165 PolarHBondContact O-N 3.31Å; L165-W178 CarbonylContact C-O 3.57Å; L165-W178 VanDerWaalsContact CA-O 3.32Å; L165-W178 WeakPolarHBondContact CA-O 3.34Å; L165-R179 HydrophobicContact CD2-CB 4.24Å; L165-L205 HydrophobicContact CD2-CD1 3.88Å; L165-F220 HydrophobicContact CB-CE1 3.59Å; L165-F220 HydrophobicContact CB-CZ 3.58Å; L165-F220 HydrophobicContact CD1-CE1 4.16Å; L165-F220 WeakPolarHBondContact O-CZ 3Å |
| 166 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.1 | 172.2 | 163.2 | 69.8 | 0 | 0 | 0 | 107.8 | I123 V131 I133 L147 V157 A158 F159 W178 I180 | I123-L166 HydrophobicContact CD1-CD1 4.22Å; I123-L166 HydrophobicContact CG2-CD1 4.14Å; V131-L166 HydrophobicContact CG1-CD2 4.34Å; I133-L166 HydrophobicContact CD1-CD2 4.41Å; L147-L166 HydrophobicContact CD1-CD2 3.84Å; V157-L166 HydrophobicContact CB-CD1 4.39Å; A158-L166 CarbonylContact O-C 3.58Å; A158-L166 WeakPolarHBondContact O-CA 3.37Å; A158-L166 VanDerWaalsContact O-CD1 3.27Å; A158-L166 WeakPolarHBondContact O-CD1 3.44Å; F159-L166 HydrophobicContact CB-CD1 4.39Å; F159-L166 HydrophobicContact CD2-CB 4.35Å; L166-W178 HydrophobicContact CB-CB 4.06Å; L166-W178 HydrophobicContact CD2-CB 4.36Å; L166-W178 HydrophobicContact CD2-CG 4.48Å; L166-W178 HydrophobicContact CG-CB 4.38Å; L166-W178 PolarHBondContact N-O 3.2Å; L166-W178 PolarHBondContact O-N 3.11Å; L166-I180 HydrophobicContact CB-CD1 3.82Å; L166-I180 HydrophobicContact CB-CG1 4.5Å; L166-I180 HydrophobicContact CD2-CD1 4.49Å |
| 167 | C | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | 173.7 | -174 | 0 | 0 | 0 | 0 | 108.8 | V157 A158 S176 M177 F220 V225 | V157-C167 CarbonylContact C-O 3.55Å; V157-C167 WeakPolarHBondContact CA-O 3.28Å; A158-C167 PolarHBondContact N-O 3.45Å; A158-C167 PolarHBondContact O-N 2.82Å; C167-S176 WeakPolarHBondContact CA-O 3.34Å; C167-M177 HydrophobicContact CB-CE 4.27Å; C167-M177 HydrophobicContact CB-SD 3.99Å; C167-F220 HydrophobicContact CB-CE2 3.88Å; C167-F220 HydrophobicContact CB-CZ 3.92Å; C167-V225 HydrophobicContact CB-CG1 4.34Å; C167-V225 HydrophobicContact CB-CG2 4.49Å |
| 168 | S | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149.3 | 170.2 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | H150 D156 C175 S176 | H150-S168 PolarHBondContact CD2-OG 2.92Å; H150-S168 WeakPolarHBondContact NE2-CB 3.2Å; H150-S168 PolarHBondContact NE2-O 3.2Å; H150-S168 PolarHBondContact NE2-OG 2.92Å; D156-S168 WeakPolarHBondContact O-CA 3.44Å; S168-C175 CarbonylContact O-C 3.53Å; S168-C175 WeakPolarHBondContact O-CA 3.3Å; S168-S176 PolarHBondContact N-O 2.75Å; S168-S176 PolarHBondContact O-N 2.89Å |
| 169 | T | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 151 | -179.7 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | V154 F155 D156 C175 V215 A218 | V154-T169 CarbonylContact C-O 3.46Å; V154-T169 VanDerWaalsContact CA-O 3.29Å; V154-T169 WeakPolarHBondContact CA-O 3.38Å; V154-T169 WeakPolarHBondContact CG1-O 3.18Å; F155-T169 PolarHBondContact N-O 2.79Å; D156-T169 VanDerWaalsContact CB-OG1 3.32Å; D156-T169 WeakPolarHBondContact CB-OG1 3.36Å; D156-T169 PolarHBondContact N-OG1 2.65Å; D156-T169 VanDerWaalsContact N-OG1 3.11Å; D156-T169 PolarHBondContact O-N 3.33Å; D156-T169 PolarHBondContact O-OG1 3.07Å; T169-C175 HydrophobicContact CG2-CB 4.5Å; T169-V215 HydrophobicContact CG2-CB 4.33Å; T169-V215 HydrophobicContact CG2-CG1 3.6Å; T169-V215 PolarHBondContact OG1-O 3.01Å; T169-A218 HydrophobicContact CG2-CB 3.4Å; T169-A218 VanDerWaalsContact CG2-CB 3.4Å |
| 170 | S | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.6 | -165.6 | 171.7 | 0 | 0 | 0 | 0 | 115.7 | H150 G152 A153 D172 R173 S174 V215 | H150-S170 WeakPolarHBondContact CB-OG 3.25Å; H150-S170 WeakPolarHBondContact ND1-CB 3.41Å; G152-S170 PolarHBondContact O-OG 2.97Å; A153-S170 CarbonylContact O-C 3.47Å; A153-S170 VanDerWaalsContact O-CA 3.22Å; A153-S170 WeakPolarHBondContact O-CA 3.19Å; A153-S170 PolarHBondContact O-OG 3.03Å; S170-D172 WeakPolarHBondContact CB-OD1 3.36Å; S170-D172 PolarHBondContact O-N 3.36Å; S170-D172 PolarHBondContact OG-N 2.84Å; S170-D172 VanDerWaalsContact OG-N 3.07Å; S170-D172 PolarHBondContact OG-OD1 2.73Å; S170-D172 VanDerWaalsContact OG-OD1 3.07Å; S170-D172 PolarHBondContact OG-OD2 3.24Å; S170-R173 PolarHBondContact O-N 3.23Å; S170-R173 VanDerWaalsContact O-N 3.11Å; S170-S174 PolarHBondContact N-O 3.06Å; S170-V215 PolarHBondContact O-N 3.12Å |
| 171 | D | 96.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 32% | 0.316 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.9 | 166.5 | -171 | 54.9 | 0 | 0 | 0 | 113.3 | A153 F155 R173 R214 | A153-D171 HydrophobicContact CB-CB 4.24Å; A153-D171 PolarHBondContact O-N 2.64Å; F155-D171 HydrophobicContact CD2-CB 4.46Å; F155-D171 VanDerWaalsContact CE2-CA 3.48Å; F155-D171 HydrophobicContact CE2-CB 3.54Å; F155-D171 HydrophobicContact CZ-CB 3.86Å; D171-R173 PolarHBondContact O-N 2.79Å; D171-R214 WeakPolarHBondContact OD1-CD 3.46Å; D171-R214 WeakPolarHBondContact OD1-CG 3.44Å; D171-R214 IonicContact OD1-CZ 3.36Å; D171-R214 IonicContact OD1-NE 3.91Å; D171-R214 PolarHBondContact OD1-NE 3.34Å; D171-R214 IonicContact OD1-NH2 2.72Å |
| 172 | D | 93.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 6.8 | 173.8 | 67.7 | 19.8 | 0 | 0 | 0 | 114 | H150 R151 S170 S174 | H150-D172 VanDerWaalsContact CA-OD2 3.3Å; H150-D172 WeakPolarHBondContact CA-OD2 3.14Å; H150-D172 WeakPolarHBondContact CB-OD2 3.38Å; H150-D172 IonicContact CG-OD2 3.24Å; H150-D172 IonicContact ND1-OD1 3.71Å; H150-D172 PolarHBondContact ND1-OD1 2.86Å; H150-D172 IonicContact ND1-OD2 3.77Å; H150-D172 PolarHBondContact ND1-OD2 3.13Å; H150-D172 VanDerWaalsContact ND1-OD2 3.13Å; R151-D172 PolarHBondContact N-OD2 2.89Å; S170-D172 WeakPolarHBondContact CB-OD1 3.36Å; S170-D172 PolarHBondContact O-N 3.36Å; S170-D172 PolarHBondContact OG-N 2.84Å; S170-D172 VanDerWaalsContact OG-N 3.07Å; S170-D172 PolarHBondContact OG-OD1 2.73Å; S170-D172 VanDerWaalsContact OG-OD1 3.07Å; S170-D172 PolarHBondContact OG-OD2 3.24Å; D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.13Å; D172-S174 VanDerWaalsContact OD1-N 3.13Å; D172-S174 PolarHBondContact OD1-OG 3.34Å |
| 173 | R | 94.6 | Very high | 92.1 | Very high | 125 Ų | 125 | 32 Ų | 32 | 47% | 0.472 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 70.2 | 18.6 | 174.9 | -45.9 | 177.9 | -75.4 | 177.9 | -2.5 | 114.2 | S170 D171 S212 A213 | S170-R173 PolarHBondContact O-N 3.23Å; S170-R173 VanDerWaalsContact O-N 3.11Å; D171-R173 PolarHBondContact O-N 2.79Å; R173-S212 VanDerWaalsContact CD-O 3.24Å; R173-S212 WeakPolarHBondContact CD-O 3.34Å; R173-S212 PolarHBondContact NH1-O 2.76Å; R173-A213 WeakPolarHBondContact CB-O 3.35Å; R173-A213 WeakPolarHBondContact CG-O 3.29Å |
| 174 | S | 91.5 | Very high | 91 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 160.8 | -178.1 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | H150 S170 D172 V207 V208 Y209 | H150-S174 PolarHBondContact CE1-OG 2.86Å; H150-S174 VanDerWaalsContact CE1-OG 3.28Å; H150-S174 PolarHBondContact ND1-OG 2.8Å; H150-S174 VanDerWaalsContact ND1-OG 3.13Å; S170-S174 PolarHBondContact N-O 3.06Å; D172-S174 VanDerWaalsContact C-N 3.26Å; D172-S174 PolarHBondContact O-N 3.26Å; D172-S174 WeakPolarHBondContact OD1-CB 3.43Å; D172-S174 PolarHBondContact OD1-N 3.13Å; D172-S174 VanDerWaalsContact OD1-N 3.13Å; D172-S174 PolarHBondContact OD1-OG 3.34Å; S174-V207 VanDerWaalsContact CB-CG1 3.49Å; S174-V207 WeakPolarHBondContact OG-CG1 3.48Å; S174-V208 VanDerWaalsContact CA-O 3.29Å; S174-V208 WeakPolarHBondContact CA-O 3.22Å; S174-V208 WeakPolarHBondContact CB-O 3.45Å; S174-Y209 VanDerWaalsContact CB-CE1 3.48Å |
| 175 | C | 94.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.6 | 162.2 | -50.8 | 0 | 0 | 0 | 0 | 108.9 | S168 T169 V207 V208 | S168-C175 CarbonylContact O-C 3.53Å; S168-C175 WeakPolarHBondContact O-CA 3.3Å; T169-C175 HydrophobicContact CG2-CB 4.5Å; C175-V207 CarbonylContact O-C 3.47Å; C175-V207 WeakPolarHBondContact O-CA 2.87Å; C175-V208 HydrophobicContact CB-CG2 3.61Å; C175-V208 PolarHBondContact N-O 2.55Å; C175-V208 WeakPolarHBondContact O-CG2 3.43Å; C175-V208 PolarHBondContact O-N 3.03Å |
| 176 | S | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.6 | 178.6 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | H150 C167 S168 W178 N204 | H150-S176 VanDerWaalsContact CE1-CB 3.46Å; H150-S176 WeakPolarHBondContact CE1-CB 3.37Å; H150-S176 WeakPolarHBondContact NE2-CB 3.31Å; C167-S176 WeakPolarHBondContact CA-O 3.34Å; S168-S176 PolarHBondContact N-O 2.75Å; S168-S176 PolarHBondContact O-N 2.89Å; S176-W178 PolarHBondContact OG-NE1 3.48Å; S176-W178 VanDerWaalsContact OG-NE1 3.08Å; S176-N204 PolarHBondContact OG-ND2 3.25Å |
| 177 | M | 92.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129 | -175.7 | -161.3 | 65 | 72.3 | 0 | 0 | 110.8 | C167 L205 F206 F220 V225 | C167-M177 HydrophobicContact CB-CE 4.27Å; C167-M177 HydrophobicContact CB-SD 3.99Å; M177-L205 HydrophobicContact CG-CD1 4.34Å; M177-L205 PolarHBondContact O-N 3.49Å; M177-F206 HydrophobicContact CB-CD2 3.77Å; M177-F206 HydrophobicContact CB-CE2 3.4Å; M177-F206 HydrophobicContact CB-CG 4.47Å; M177-F206 HydrophobicContact CB-CZ 3.81Å; M177-F206 HydrophobicContact CE-CE2 4.49Å; M177-F206 HydrophobicContact CG-CE2 3.86Å; M177-F206 HydrophobicContact CG-CZ 3.8Å; M177-F206 PolarHBondContact N-O 3.46Å; M177-F220 HydrophobicContact SD-CE1 4.39Å; M177-F220 HydrophobicContact SD-CZ 4.08Å; M177-V225 HydrophobicContact CE-CB 4.19Å; M177-V225 HydrophobicContact CE-CG2 3.56Å; M177-V225 HydrophobicContact SD-CG2 4.38Å |
| 178 | W | 93.2 | Very high | 84.6 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.3 | -175.9 | -62.5 | 79.2 | 0 | 0 | 0 | 110.2 | L147 A149 L165 L166 S176 L202 V203 N204 | L147-W178 HydrophobicContact CB-CH2 3.81Å; L147-W178 HydrophobicContact CB-CZ2 3.91Å; L147-W178 HydrophobicContact CB-CZ3 4.19Å; L147-W178 HydrophobicContact CD1-CD2 3.97Å; L147-W178 HydrophobicContact CD1-CE3 4.02Å; L147-W178 HydrophobicContact CD1-CG 4.44Å; L147-W178 HydrophobicContact CD1-CZ3 4.33Å; L147-W178 HydrophobicContact CD2-CE3 4.29Å; L147-W178 HydrophobicContact CD2-CH2 4.39Å; L147-W178 HydrophobicContact CD2-CZ3 3.96Å; L147-W178 HydrophobicContact CG-CH2 4.49Å; L147-W178 HydrophobicContact CG-CZ3 4.39Å; A149-W178 HydrophobicContact CB-CZ2 3.69Å; L165-W178 CarbonylContact C-O 3.57Å; L165-W178 VanDerWaalsContact CA-O 3.32Å; L165-W178 WeakPolarHBondContact CA-O 3.34Å; L166-W178 HydrophobicContact CB-CB 4.06Å; L166-W178 HydrophobicContact CD2-CB 4.36Å; L166-W178 HydrophobicContact CD2-CG 4.48Å; L166-W178 HydrophobicContact CG-CB 4.38Å; L166-W178 PolarHBondContact N-O 3.2Å; L166-W178 PolarHBondContact O-N 3.11Å; S176-W178 PolarHBondContact OG-NE1 3.48Å; S176-W178 VanDerWaalsContact OG-NE1 3.08Å; W178-L202 HydrophobicContact CE3-CB 4.35Å; W178-V203 WeakPolarHBondContact CA-O 3.49Å; W178-N204 HydrophobicContact CD2-CB 4.1Å; W178-N204 HydrophobicContact CE3-CB 3.82Å; W178-N204 VanDerWaalsContact CE3-N 3.31Å; W178-N204 HydrophobicContact CH2-CB 3.7Å; W178-N204 HydrophobicContact CZ2-CB 3.97Å; W178-N204 WeakPolarHBondContact CZ2-ND2 3.28Å; W178-N204 HydrophobicContact CZ3-CB 3.63Å; W178-N204 PolarHBondContact NE1-ND2 3.35Å |
| 179 | R | 89.8 | Confident | 82.9 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.4 | 167.6 | -174.5 | 168.1 | -73.8 | 110.2 | 4.7 | 110.1 | L165 H181 L202 V203 L205 | L165-R179 HydrophobicContact CD2-CB 4.24Å; R179-H181 VanDerWaalsContact CD-NE2 3.31Å; R179-H181 WeakPolarHBondContact CD-NE2 3.32Å; R179-L202 WeakPolarHBondContact O-CA 3.25Å; R179-V203 PolarHBondContact N-O 3.23Å; R179-V203 PolarHBondContact O-N 2.68Å; R179-L205 HydrophobicContact CB-CD1 4.02Å; R179-L205 HydrophobicContact CB-CD2 3.74Å; R179-L205 HydrophobicContact CB-CG 3.99Å; R179-L205 VanDerWaalsContact CZ-CD1 3.46Å; R179-L205 VanDerWaalsContact NH1-CD1 3.28Å |
| 180 | I | 90.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.5 | -179.1 | -55.5 | 167.9 | 0 | 0 | 0 | 108.8 | F159 R164 L166 F182 W197 A200 L202 | F159-I180 HydrophobicContact CD2-CD1 3.66Å; F159-I180 HydrophobicContact CE2-CD1 3.45Å; F159-I180 VanDerWaalsContact CE2-CD1 3.45Å; F159-I180 HydrophobicContact CZ-CD1 4.41Å; R164-I180 WeakPolarHBondContact CB-O 3.1Å; R164-I180 WeakPolarHBondContact CD-O 3.47Å; R164-I180 PolarHBondContact O-N 2.83Å; L166-I180 HydrophobicContact CB-CD1 3.82Å; L166-I180 HydrophobicContact CB-CG1 4.5Å; L166-I180 HydrophobicContact CD2-CD1 4.49Å; I180-F182 HydrophobicContact CB-CE2 4.34Å; I180-F182 HydrophobicContact CB-CZ 4.37Å; I180-F182 HydrophobicContact CG2-CD1 4.35Å; I180-F182 HydrophobicContact CG2-CD2 4.35Å; I180-F182 HydrophobicContact CG2-CE1 3.75Å; I180-F182 HydrophobicContact CG2-CE2 3.73Å; I180-F182 HydrophobicContact CG2-CZ 3.4Å; I180-F182 VanDerWaalsContact CG2-CZ 3.4Å; I180-W197 HydrophobicContact CD1-CH2 4.03Å; I180-W197 HydrophobicContact CD1-CZ3 3.88Å; I180-W197 HydrophobicContact CG2-CZ3 4.28Å; I180-A200 HydrophobicContact CG2-CB 3.9Å; I180-L202 HydrophobicContact CD1-CD2 4.2Å; I180-L202 HydrophobicContact CG1-CD2 3.76Å; I180-L202 HydrophobicContact CG1-CG 4Å; I180-L202 HydrophobicContact CG2-CG 4.3Å |
| 181 | H | 87.7 | Confident | 81.1 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 39% | 0.389 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 115 | 177.4 | -57.9 | 92.6 | 0 | 0 | 0 | 109.6 | R179 A200 N201 | R179-H181 VanDerWaalsContact CD-NE2 3.31Å; R179-H181 WeakPolarHBondContact CD-NE2 3.32Å; H181-A200 WeakPolarHBondContact O-CA 3.37Å; H181-N201 HydrophobicContact CB-CB 4.39Å; H181-N201 PolarHBondContact N-O 2.82Å; H181-N201 PolarHBondContact O-N 2.99Å |
| 182 | F | 85.4 | Confident | 80.6 | Confident | 12 Ų | 12 | 65 Ų | 65 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | trans | -96.2 | 123.1 | 171.4 | -58.6 | -71 | 0 | 0 | 0 | 108.8 | R164 I180 N184 M185 P192 D196 W197 A200 | R164-F182 HydrophobicContact CG-CE2 4.47Å; I180-F182 HydrophobicContact CB-CE2 4.34Å; I180-F182 HydrophobicContact CB-CZ 4.37Å; I180-F182 HydrophobicContact CG2-CD1 4.35Å; I180-F182 HydrophobicContact CG2-CD2 4.35Å; I180-F182 HydrophobicContact CG2-CE1 3.75Å; I180-F182 HydrophobicContact CG2-CE2 3.73Å; I180-F182 HydrophobicContact CG2-CZ 3.4Å; I180-F182 VanDerWaalsContact CG2-CZ 3.4Å; F182-N184 VanDerWaalsContact C-N 3.33Å; F182-N184 PolarHBondContact O-N 3.3Å; F182-M185 HydrophobicContact CB-CB 4.08Å; F182-M185 HydrophobicContact CB-CG 4.33Å; F182-P192 HydrophobicContact CD1-CB 4.25Å; F182-P192 HydrophobicContact CD2-CG 4.31Å; F182-P192 HydrophobicContact CE1-CB 3.76Å; F182-P192 HydrophobicContact CE1-CG 4.09Å; F182-P192 HydrophobicContact CE2-CB 4.19Å; F182-P192 HydrophobicContact CE2-CG 3.64Å; F182-P192 HydrophobicContact CZ-CB 3.73Å; F182-P192 HydrophobicContact CZ-CG 3.5Å; F182-D196 HydrophobicContact CD1-CB 3.82Å; F182-D196 HydrophobicContact CE1-CB 4.38Å; F182-W197 HydrophobicContact CE1-CD2 4.04Å; F182-W197 AromaticContact CE1-CE3 3.99Å; F182-W197 HydrophobicContact CE1-CE3 3.99Å; F182-W197 HydrophobicContact CE1-CG 4.49Å; F182-W197 HydrophobicContact CE1-CZ3 4.34Å; F182-W197 HydrophobicContact CZ-CD2 4.26Å; F182-W197 HydrophobicContact CZ-CE3 4.13Å; F182-W197 HydrophobicContact CZ-CH2 4.07Å; F182-W197 HydrophobicContact CZ-CZ2 4.19Å; F182-W197 HydrophobicContact CZ-CZ3 4.04Å; F182-A200 HydrophobicContact CD1-CB 3.83Å; F182-A200 HydrophobicContact CE1-CB 3.78Å | ||
| 183 | Q | 71.9 | Confident | 80.3 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.9 | -171.9 | -65.3 | -178.3 | -3.4 | 0 | 0 | 113.5 | ||
| 184 | N | 65.2 | Low | 79.9 | Confident | 119 Ų | 119 | 60.5 Ų | 60.5 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.5 | 32.9 | -168.3 | -69.4 | -32.1 | 0 | 0 | 0 | 114.8 | F182 | F182-N184 VanDerWaalsContact C-N 3.33Å; F182-N184 PolarHBondContact O-N 3.3Å |
| 185 | M | 66.9 | Low | 79.7 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -121.3 | 98.5 | -177.3 | -88.6 | -88.8 | -76.7 | 0 | 0 | 111.6 | R164 F182 K190 | R164-M185 PolarHBondContact NH2-O 2.81Å; F182-M185 HydrophobicContact CB-CB 4.08Å; F182-M185 HydrophobicContact CB-CG 4.33Å; M185-K190 HydrophobicContact CE-CB 3.97Å; M185-K190 WeakPolarHBondContact CE-O 3.37Å; M185-K190 HydrophobicContact SD-CB 3.96Å; M185-K190 HydrophobicContact SD-CD 4.23Å; M185-K190 HydrophobicContact SD-CG 4.34Å | ||
| 186 | P | 54.2 | Low | 79.4 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 81% | 0.812 | 33% | 0.328 | S | S | * | . | trans | -78.5 | -30.6 | 176 | 27.6 | -31.4 | 0 | 0 | 0 | 113 | ||||
| 187 | N | 59.9 | Low | 79.2 | Confident | 114 Ų | 114 | 63.7 Ų | 63.7 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | trans | -96 | 126.9 | -176.5 | -87.4 | -6.4 | 0 | 0 | 0 | 112.3 | N189 | N187-N189 PolarHBondContact O-N 2.98Š| ||
| 188 | E | 61 | Low | 79 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.7 | 175.4 | -66.6 | -175.8 | 169.7 | 0 | 0 | 113.8 | ||
| 189 | N | 62.5 | Low | 78.8 | Confident | 147 Ų | 147 | 72.9 Ų | 72.9 | 79% | 0.786 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -10.4 | -173 | -73 | -13.6 | 0 | 0 | 0 | 114.9 | N187 | N187-N189 PolarHBondContact O-N 2.98Š|
| 190 | K | 75.4 | Confident | 78.8 | Confident | 137 Ų | 137 | 69.3 Ų | 69.3 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -86.4 | 138.3 | -179.7 | -166.1 | 176.6 | 178.9 | -175.5 | 0 | 109.9 | M185 | M185-K190 HydrophobicContact CE-CB 3.97Å; M185-K190 WeakPolarHBondContact CE-O 3.37Å; M185-K190 HydrophobicContact SD-CB 3.96Å; M185-K190 HydrophobicContact SD-CD 4.23Å; M185-K190 HydrophobicContact SD-CG 4.34Å |
| 191 | L | 80.6 | Confident | 78.7 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 40% | 0.398 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.2 | 173.1 | -73.9 | 166.9 | 0 | 0 | 0 | 110.1 | T193 | L191-T193 PolarHBondContact O-N 2.82Š|
| 192 | P | 86.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 136 | 176.5 | -17.8 | 28.8 | 0 | 0 | 0 | 110.9 | N119 F182 D196 W197 | N119-P192 VanDerWaalsContact CB-O 3.28Å; N119-P192 WeakPolarHBondContact CB-O 2.94Å; F182-P192 HydrophobicContact CD1-CB 4.25Å; F182-P192 HydrophobicContact CD2-CG 4.31Å; F182-P192 HydrophobicContact CE1-CB 3.76Å; F182-P192 HydrophobicContact CE1-CG 4.09Å; F182-P192 HydrophobicContact CE2-CB 4.19Å; F182-P192 HydrophobicContact CE2-CG 3.64Å; F182-P192 HydrophobicContact CZ-CB 3.73Å; F182-P192 HydrophobicContact CZ-CG 3.5Å; P192-D196 HydrophobicContact CB-CB 4.13Å; P192-W197 HydrophobicContact CG-CZ2 4.38Å |
| 193 | T | 87.7 | Confident | 79 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 166.6 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | K118 L191 A195 D196 W197 | K118-T193 WeakPolarHBondContact O-CA 3.26Å; K118-T193 WeakPolarHBondContact O-CB 3.5Å; L191-T193 PolarHBondContact O-N 2.82Å; T193-A195 PolarHBondContact O-N 3.31Å; T193-D196 WeakPolarHBondContact CB-OD2 3.5Å; T193-D196 PolarHBondContact N-OD2 2.89Å; T193-D196 WeakPolarHBondContact O-CB 3.16Å; T193-D196 PolarHBondContact O-N 3.42Å; T193-D196 VanDerWaalsContact O-N 3.08Å; T193-D196 PolarHBondContact OG1-N 3.28Å; T193-D196 PolarHBondContact OG1-OD2 2.82Å; T193-W197 VanDerWaalsContact O-CD1 3.26Å; T193-W197 PolarHBondContact O-N 2.56Å |
| 194 | V | 86.6 | Confident | 79.8 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.4 | -39.2 | 173.9 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | K118 L135 E138 W197 R198 | K118-V194 WeakPolarHBondContact O-CG2 3.37Å; K118-V194 PolarHBondContact O-N 3.33Å; L135-V194 HydrophobicContact CB-CG1 4.26Å; L135-V194 HydrophobicContact CD1-CG1 4.02Å; L135-V194 WeakPolarHBondContact CD1-O 3.38Å; L135-V194 HydrophobicContact CD2-CG1 4.34Å; L135-V194 HydrophobicContact CG-CG1 4.42Å; E138-V194 HydrophobicContact CG-CG1 3.62Å; E138-V194 WeakPolarHBondContact OE1-CG1 3.43Å; V194-W197 PolarHBondContact O-N 3.13Å; V194-R198 PolarHBondContact O-N 3.13Å; V194-R198 VanDerWaalsContact O-N 3.11Å |
| 195 | A | 86.4 | Confident | 80.6 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T193 R198 Q199 | T193-A195 PolarHBondContact O-N 3.31Å; A195-R198 WeakPolarHBondContact O-CB 3.27Å; A195-R198 PolarHBondContact O-N 2.79Å; A195-Q199 PolarHBondContact O-N 2.95Å |
| 196 | D | 89 | Confident | 81.2 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.1 | -60.7 | -50.5 | 0 | 0 | 0 | 110.9 | F182 P192 T193 R198 Q199 A200 | F182-D196 HydrophobicContact CD1-CB 3.82Å; F182-D196 HydrophobicContact CE1-CB 4.38Å; P192-D196 HydrophobicContact CB-CB 4.13Å; T193-D196 WeakPolarHBondContact CB-OD2 3.5Å; T193-D196 PolarHBondContact N-OD2 2.89Å; T193-D196 WeakPolarHBondContact O-CB 3.16Å; T193-D196 PolarHBondContact O-N 3.42Å; T193-D196 VanDerWaalsContact O-N 3.08Å; T193-D196 PolarHBondContact OG1-N 3.28Å; T193-D196 PolarHBondContact OG1-OD2 2.82Å; D196-R198 VanDerWaalsContact C-N 3.31Å; D196-R198 PolarHBondContact O-N 2.9Å; D196-Q199 CarbonylContact O-C 3.57Å; D196-Q199 PolarHBondContact O-N 3.35Å; D196-A200 WeakPolarHBondContact O-CB 3.34Å; D196-A200 PolarHBondContact O-N 3.27Å |
| 197 | W | 89.4 | Confident | 82.7 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.011 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175 | -78.9 | 111.8 | 0 | 0 | 0 | 112.4 | C121 I123 I133 L135 H145 F159 I180 F182 P192 T193 V194 Q199 A200 | C121-W197 HydrophobicContact CB-CD2 4.13Å; C121-W197 HydrophobicContact CB-CG 4.04Å; C121-W197 HydrophobicContact CB-CZ2 4.49Å; I123-W197 HydrophobicContact CD1-CH2 4.12Å; I123-W197 HydrophobicContact CD1-CZ3 4.49Å; I133-W197 HydrophobicContact CD1-CZ3 4.21Å; I133-W197 HydrophobicContact CG2-CE3 3.87Å; I133-W197 HydrophobicContact CG2-CZ3 4.25Å; L135-W197 HydrophobicContact CD1-CB 4.48Å; L135-W197 HydrophobicContact CD2-CB 3.7Å; L135-W197 HydrophobicContact CD2-CG 4.26Å; H145-W197 PolarHBondContact NE2-O 3.08Å; F159-W197 HydrophobicContact CD1-CH2 4.11Å; F159-W197 HydrophobicContact CD1-CZ2 4.19Å; F159-W197 HydrophobicContact CD2-CH2 4.34Å; F159-W197 AromaticContact CE1-CH2 3.71Å; F159-W197 HydrophobicContact CE1-CH2 3.71Å; F159-W197 AromaticContact CE1-CZ2 3.61Å; F159-W197 HydrophobicContact CE1-CZ2 3.61Å; F159-W197 AromaticContact CE2-CH2 3.98Å; F159-W197 HydrophobicContact CE2-CH2 3.98Å; F159-W197 HydrophobicContact CG-CH2 4.41Å; F159-W197 AromaticContact CZ-CH2 3.63Å; F159-W197 HydrophobicContact CZ-CH2 3.63Å; F159-W197 AromaticContact CZ-CZ2 3.86Å; F159-W197 HydrophobicContact CZ-CZ2 3.86Å; I180-W197 HydrophobicContact CD1-CH2 4.03Å; I180-W197 HydrophobicContact CD1-CZ3 3.88Å; I180-W197 HydrophobicContact CG2-CZ3 4.28Å; F182-W197 HydrophobicContact CE1-CD2 4.04Å; F182-W197 AromaticContact CE1-CE3 3.99Å; F182-W197 HydrophobicContact CE1-CE3 3.99Å; F182-W197 HydrophobicContact CE1-CG 4.49Å; F182-W197 HydrophobicContact CE1-CZ3 4.34Å; F182-W197 HydrophobicContact CZ-CD2 4.26Å; F182-W197 HydrophobicContact CZ-CE3 4.13Å; F182-W197 HydrophobicContact CZ-CH2 4.07Å; F182-W197 HydrophobicContact CZ-CZ2 4.19Å; F182-W197 HydrophobicContact CZ-CZ3 4.04Å; P192-W197 HydrophobicContact CG-CZ2 4.38Å; T193-W197 VanDerWaalsContact O-CD1 3.26Å; T193-W197 PolarHBondContact O-N 2.56Å; V194-W197 PolarHBondContact O-N 3.13Å; W197-Q199 VanDerWaalsContact C-N 3.32Å; W197-Q199 PolarHBondContact O-N 2.75Å; W197-A200 WeakPolarHBondContact O-CB 3.33Å; W197-A200 PolarHBondContact O-N 3.33Å |
| 198 | R | 88.3 | Confident | 83.9 | Confident | 125 Ų | 125 | 57.2 Ų | 57.2 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 178.4 | -164.3 | -166.7 | -59.3 | 138.5 | -8.5 | 112.3 | L135 E138 V194 A195 D196 | L135-R198 HydrophobicContact CD1-CB 4.02Å; E138-R198 IonicContact OE1-CZ 3.94Å; E138-R198 IonicContact OE1-NE 3.57Å; E138-R198 PolarHBondContact OE1-NE 2.77Å; E138-R198 IonicContact OE1-NH2 2.82Å; E138-R198 PolarHBondContact OE1-NH2 3.43Å; E138-R198 IonicContact OE2-CZ 2.86Å; E138-R198 IonicContact OE2-NE 3.3Å; E138-R198 PolarHBondContact OE2-NE 2.87Å; E138-R198 VanDerWaalsContact OE2-NE 3.08Å; E138-R198 IonicContact OE2-NH2 2.87Å; E138-R198 PolarHBondContact OE2-NH2 3.2Å; V194-R198 PolarHBondContact O-N 3.13Å; V194-R198 VanDerWaalsContact O-N 3.11Å; A195-R198 WeakPolarHBondContact O-CB 3.27Å; A195-R198 PolarHBondContact O-N 2.79Å; D196-R198 VanDerWaalsContact C-N 3.31Å; D196-R198 PolarHBondContact O-N 2.9Å |
| 199 | Q | 88.7 | Confident | 85 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -93.8 | 1.5 | -177.4 | -64.5 | 176.1 | -3.8 | 0 | 0 | 113.3 | A195 D196 W197 | A195-Q199 PolarHBondContact O-N 2.95Å; D196-Q199 CarbonylContact O-C 3.57Å; D196-Q199 PolarHBondContact O-N 3.35Å; W197-Q199 VanDerWaalsContact C-N 3.32Å; W197-Q199 PolarHBondContact O-N 2.75Å |
| 200 | A | 90.4 | Very high | 85.7 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | trans | -62.9 | 139.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H145 I180 H181 F182 D196 W197 L202 | H145-A200 PolarHBondContact CE1-O 2.94Å; H145-A200 PolarHBondContact NE2-O 2.86Å; I180-A200 HydrophobicContact CG2-CB 3.9Å; H181-A200 WeakPolarHBondContact O-CA 3.37Å; F182-A200 HydrophobicContact CD1-CB 3.83Å; F182-A200 HydrophobicContact CE1-CB 3.78Å; D196-A200 WeakPolarHBondContact O-CB 3.34Å; D196-A200 PolarHBondContact O-N 3.27Å; W197-A200 WeakPolarHBondContact O-CB 3.33Å; W197-A200 PolarHBondContact O-N 3.33Å; A200-L202 HydrophobicContact CB-CD1 4.12Å | ||
| 201 | N | 89.6 | Confident | 86.2 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.2 | 169.7 | -179.5 | -84.9 | 0 | 0 | 0 | 109.3 | H181 V203 | H181-N201 HydrophobicContact CB-CB 4.39Å; H181-N201 PolarHBondContact N-O 2.82Å; H181-N201 PolarHBondContact O-N 2.99Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.44Å |
| 202 | L | 92.2 | Very high | 86.4 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.7 | -177.8 | -66.8 | 92 | 0 | 0 | 0 | 110.2 | I133 H145 L147 W178 R179 I180 A200 | I133-L202 HydrophobicContact CD1-CD1 4.45Å; I133-L202 HydrophobicContact CD1-CD2 3.3Å; H145-L202 HydrophobicContact CB-CD1 4.23Å; H145-L202 VanDerWaalsContact CG-CD1 3.49Å; L147-L202 HydrophobicContact CD1-CD2 3.7Å; L147-L202 HydrophobicContact CD2-CB 3.96Å; L147-L202 HydrophobicContact CD2-CD2 4.06Å; L147-L202 HydrophobicContact CD2-CG 4.47Å; L147-L202 HydrophobicContact CG-CD2 4.42Å; W178-L202 HydrophobicContact CE3-CB 4.35Å; R179-L202 WeakPolarHBondContact O-CA 3.25Å; I180-L202 HydrophobicContact CD1-CD2 4.2Å; I180-L202 HydrophobicContact CG1-CD2 3.76Å; I180-L202 HydrophobicContact CG1-CG 4Å; I180-L202 HydrophobicContact CG2-CG 4.3Å; A200-L202 HydrophobicContact CB-CD1 4.12Å |
| 203 | V | 87.4 | Confident | 86.6 | Confident | 62 Ų | 62 | 45.3 Ų | 45.3 | 38% | 0.376 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.6 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | W178 R179 N201 L205 | W178-V203 WeakPolarHBondContact CA-O 3.49Å; R179-V203 PolarHBondContact N-O 3.23Å; R179-V203 PolarHBondContact O-N 2.68Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.44Å; V203-L205 HydrophobicContact CG1-CD2 4.49Å; V203-L205 PolarHBondContact O-N 2.65Å |
| 204 | N | 87 | Confident | 86.9 | Confident | 60 Ų | 60 | 47.8 Ų | 47.8 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.3 | 167.8 | -169.7 | -98.2 | 0 | 0 | 0 | 107.9 | S176 W178 | S176-N204 PolarHBondContact OG-ND2 3.25Å; W178-N204 HydrophobicContact CD2-CB 4.1Å; W178-N204 HydrophobicContact CE3-CB 3.82Å; W178-N204 VanDerWaalsContact CE3-N 3.31Å; W178-N204 HydrophobicContact CH2-CB 3.7Å; W178-N204 HydrophobicContact CZ2-CB 3.97Å; W178-N204 WeakPolarHBondContact CZ2-ND2 3.28Å; W178-N204 HydrophobicContact CZ3-CB 3.63Å; W178-N204 PolarHBondContact NE1-ND2 3.35Å |
| 205 | L | 83 | Confident | 87.5 | Confident | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -50 | 179.3 | -58.6 | -175.5 | 0 | 0 | 0 | 110.4 | L165 M177 R179 V203 | L165-L205 HydrophobicContact CD2-CD1 3.88Å; M177-L205 HydrophobicContact CG-CD1 4.34Å; M177-L205 PolarHBondContact O-N 3.49Å; R179-L205 HydrophobicContact CB-CD1 4.02Å; R179-L205 HydrophobicContact CB-CD2 3.74Å; R179-L205 HydrophobicContact CB-CG 3.99Å; R179-L205 VanDerWaalsContact CZ-CD1 3.46Å; R179-L205 VanDerWaalsContact NH1-CD1 3.28Å; V203-L205 HydrophobicContact CG1-CD2 4.49Å; V203-L205 PolarHBondContact O-N 2.65Å |
| 206 | F | 79.9 | Confident | 88 | Confident | 23 Ų | 23 | 46.2 Ų | 46.2 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 165.1 | -177.2 | 47.3 | -101.2 | 0 | 0 | 0 | 110 | M177 V208 D239 G241 L626 | M177-F206 HydrophobicContact CB-CD2 3.77Å; M177-F206 HydrophobicContact CB-CE2 3.4Å; M177-F206 HydrophobicContact CB-CG 4.47Å; M177-F206 HydrophobicContact CB-CZ 3.81Å; M177-F206 HydrophobicContact CE-CE2 4.49Å; M177-F206 HydrophobicContact CG-CE2 3.86Å; M177-F206 HydrophobicContact CG-CZ 3.8Å; M177-F206 PolarHBondContact N-O 3.46Å; F206-V208 HydrophobicContact CD2-CG1 3.61Å; F206-V208 HydrophobicContact CE2-CG1 3.76Å; F206-D239 VanDerWaalsContact CZ-O 3.28Å; F206-D239 WeakPolarHBondContact CZ-O 3.4Å; F206-G241 VanDerWaalsContact CE2-CA 3.41Å; F206-G241 VanDerWaalsContact CZ-N 3.31Å; F206-L626 HydrophobicContact CB-CD1 3.67Å |
| 207 | V | 84.6 | Confident | 88.4 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.8 | 170.8 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | S174 C175 Y209 | S174-V207 VanDerWaalsContact CB-CG1 3.49Å; S174-V207 WeakPolarHBondContact OG-CG1 3.48Å; C175-V207 CarbonylContact O-C 3.47Å; C175-V207 WeakPolarHBondContact O-CA 2.87Å; V207-Y209 HydrophobicContact CB-CE2 4.25Å; V207-Y209 HydrophobicContact CG1-CD2 4.38Å; V207-Y209 HydrophobicContact CG1-CE2 3.64Å |
| 208 | V | 85 | Confident | 88.8 | Confident | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.2 | -179.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | S174 C175 F206 W237 G241 | S174-V208 VanDerWaalsContact CA-O 3.29Å; S174-V208 WeakPolarHBondContact CA-O 3.22Å; S174-V208 WeakPolarHBondContact CB-O 3.45Å; C175-V208 HydrophobicContact CB-CG2 3.61Å; C175-V208 PolarHBondContact N-O 2.55Å; C175-V208 WeakPolarHBondContact O-CG2 3.43Å; C175-V208 PolarHBondContact O-N 3.03Å; F206-V208 HydrophobicContact CD2-CG1 3.61Å; F206-V208 HydrophobicContact CE2-CG1 3.76Å; V208-W237 HydrophobicContact CB-CD2 4.46Å; V208-W237 HydrophobicContact CB-CE3 3.82Å; V208-W237 HydrophobicContact CB-CH2 4.04Å; V208-W237 HydrophobicContact CB-CZ3 3.58Å; V208-W237 HydrophobicContact CG1-CE3 4.18Å; V208-W237 HydrophobicContact CG1-CZ3 4.31Å; V208-W237 HydrophobicContact CG2-CD2 3.85Å; V208-W237 HydrophobicContact CG2-CE3 3.72Å; V208-W237 HydrophobicContact CG2-CH2 3.93Å; V208-W237 HydrophobicContact CG2-CZ2 4.09Å; V208-W237 HydrophobicContact CG2-CZ3 3.76Å; V208-G241 WeakPolarHBondContact CG1-O 3.41Å |
| 209 | Y | 85.5 | Confident | 89.2 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.8 | 177.8 | -63.5 | -94.3 | 0 | 0 | 0 | 109.1 | S174 V207 | S174-Y209 VanDerWaalsContact CB-CE1 3.48Å; V207-Y209 HydrophobicContact CB-CE2 4.25Å; V207-Y209 HydrophobicContact CG1-CD2 4.38Å; V207-Y209 HydrophobicContact CG1-CE2 3.64Å |
| 210 | G | 77.2 | Confident | 89.5 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 19% | 0.186 | 22% | 0.217 | C | C | . | . | trans | -171 | -25 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 211 | H | 85.9 | Confident | 89.5 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | trans | -73.2 | 141.1 | 165.4 | -73.2 | -78.2 | 0 | 0 | 0 | 111.2 | V215 S227 D231 L233 | H211-V215 HydrophobicContact CB-CG2 3.68Å; H211-S227 PolarHBondContact NE2-OG 3.08Å; H211-D231 WeakPolarHBondContact CA-OD2 3.42Å; H211-D231 WeakPolarHBondContact CB-OD2 3.31Å; H211-D231 IonicContact CE1-OD1 3.76Å; H211-D231 IonicContact CG-OD2 2.83Å; H211-D231 IonicContact ND1-OD1 3.73Å; H211-D231 PolarHBondContact ND1-OD1 3.19Å; H211-D231 IonicContact ND1-OD2 3.06Å; H211-D231 PolarHBondContact ND1-OD2 2.89Å; H211-L233 PolarHBondContact CE1-O 3.37Å | ||
| 212 | S | 83 | Confident | 89.4 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 57% | 0.566 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -88.7 | -15.3 | 177.4 | 63 | 0 | 0 | 0 | 0 | 112.6 | R173 D231 | R173-S212 VanDerWaalsContact CD-O 3.24Å; R173-S212 WeakPolarHBondContact CD-O 3.34Å; R173-S212 PolarHBondContact NH1-O 2.76Å; S212-D231 PolarHBondContact N-OD2 2.89Å; S212-D231 VanDerWaalsContact OG-CB 3.26Å; S212-D231 WeakPolarHBondContact OG-CB 3.28Å |
| 213 | A | 91.3 | Very high | 89 | Confident | 22 Ų | 22 | 46.2 Ų | 46.2 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -134.2 | -170.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R173 E230 D231 | R173-A213 WeakPolarHBondContact CB-O 3.35Å; R173-A213 WeakPolarHBondContact CG-O 3.29Å; A213-E230 HydrophobicContact CB-CB 3.84Å; A213-E230 HydrophobicContact CB-CG 4.32Å; A213-D231 HydrophobicContact CB-CB 3.93Å |
| 214 | R | 94.9 | Very high | 89 | Confident | 98 Ų | 98 | 43.3 Ų | 43.3 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | trans | -56 | 137.8 | -174.9 | -62.2 | 175.4 | 170.7 | 147.1 | -7.5 | 111.6 | F155 D171 W216 G229 E230 | F155-R214 HydrophobicContact CE2-CB 4.08Å; F155-R214 HydrophobicContact CE2-CG 4.18Å; D171-R214 WeakPolarHBondContact OD1-CD 3.46Å; D171-R214 WeakPolarHBondContact OD1-CG 3.44Å; D171-R214 IonicContact OD1-CZ 3.36Å; D171-R214 IonicContact OD1-NE 3.91Å; D171-R214 PolarHBondContact OD1-NE 3.34Å; D171-R214 IonicContact OD1-NH2 2.72Å; R214-W216 HydrophobicContact CB-CH2 4.32Å; R214-W216 HydrophobicContact CB-CZ2 3.9Å; R214-W216 HydrophobicContact CG-CZ2 4.38Å; R214-G229 CarbonylContact O-C 3.58Å; R214-G229 WeakPolarHBondContact O-CA 3.39Å; R214-E230 HydrophobicContact CB-CB 4.21Å; R214-E230 VanDerWaalsContact CD-OE2 3.28Å; R214-E230 WeakPolarHBondContact CD-OE2 3.42Å; R214-E230 WeakPolarHBondContact CG-OE2 3.28Å; R214-E230 PolarHBondContact O-N 2.86Å | ||
| 215 | V | 98.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.5 | 175 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | T169 S170 H211 | T169-V215 HydrophobicContact CG2-CB 4.33Å; T169-V215 HydrophobicContact CG2-CG1 3.6Å; T169-V215 PolarHBondContact OG1-O 3.01Å; S170-V215 PolarHBondContact O-N 3.12Å; H211-V215 HydrophobicContact CB-CG2 3.68Å |
| 216 | W | 97.3 | Very high | 90 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -36.2 | -172.3 | -68.3 | 123.7 | 0 | 0 | 0 | 113.9 | F155 R214 T228 E230 S253 L254 | F155-W216 HydrophobicContact CB-CE3 3.99Å; F155-W216 HydrophobicContact CB-CZ3 4.42Å; F155-W216 HydrophobicContact CD1-CE3 4.02Å; F155-W216 AromaticContact CD1-CZ3 3.59Å; F155-W216 HydrophobicContact CD1-CZ3 3.59Å; F155-W216 AromaticContact CD2-CE3 3.72Å; F155-W216 HydrophobicContact CD2-CE3 3.72Å; F155-W216 HydrophobicContact CD2-CH2 4.41Å; F155-W216 AromaticContact CD2-CZ3 3.62Å; F155-W216 HydrophobicContact CD2-CZ3 3.62Å; F155-W216 HydrophobicContact CE1-CE3 4.44Å; F155-W216 HydrophobicContact CE1-CH2 4.3Å; F155-W216 AromaticContact CE1-CZ3 3.58Å; F155-W216 HydrophobicContact CE1-CZ3 3.58Å; F155-W216 HydrophobicContact CE2-CE3 4.13Å; F155-W216 AromaticContact CE2-CH2 3.97Å; F155-W216 HydrophobicContact CE2-CH2 3.97Å; F155-W216 AromaticContact CE2-CZ3 3.56Å; F155-W216 HydrophobicContact CE2-CZ3 3.56Å; F155-W216 AromaticContact CG-CE3 3.65Å; F155-W216 HydrophobicContact CG-CE3 3.65Å; F155-W216 AromaticContact CG-CZ3 3.62Å; F155-W216 HydrophobicContact CG-CZ3 3.62Å; F155-W216 HydrophobicContact CZ-CE3 4.48Å; F155-W216 AromaticContact CZ-CH2 3.93Å; F155-W216 HydrophobicContact CZ-CH2 3.93Å; F155-W216 AromaticContact CZ-CZ3 3.56Å; F155-W216 HydrophobicContact CZ-CZ3 3.56Å; R214-W216 HydrophobicContact CB-CH2 4.32Å; R214-W216 HydrophobicContact CB-CZ2 3.9Å; R214-W216 HydrophobicContact CG-CZ2 4.38Å; W216-T228 PolarHBondContact N-O 3.37Å; W216-E230 HydrophobicContact CZ2-CB 4.44Å; W216-S253 PolarHBondContact NE1-OG 3.1Å; W216-L254 VanDerWaalsContact CD1-O 3.25Å |
| 217 | R | 97.4 | Very high | 90.8 | Very high | 85 Ų | 85 | 37.5 Ų | 37.5 | 32% | 0.321 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.1 | -173.8 | -59.5 | -64.8 | 137.5 | 91.8 | -0.7 | 111.5 | D156 S227 T228 R255 L257 | D156-R217 WeakPolarHBondContact OD2-CA 3.32Å; D156-R217 WeakPolarHBondContact OD2-CD 3.37Å; R217-S227 CarbonylContact O-C 3.55Å; R217-S227 VanDerWaalsContact O-CA 3.23Å; R217-S227 WeakPolarHBondContact O-CA 3.28Å; R217-S227 WeakPolarHBondContact O-CB 3.37Å; R217-T228 PolarHBondContact N-O 2.75Å; R217-T228 PolarHBondContact O-N 2.86Å; R217-R255 VanDerWaalsContact CG-O 3.31Å; R217-R255 WeakPolarHBondContact CG-O 3.36Å; R217-R255 PolarHBondContact NH1-O 3.01Å; R217-L257 HydrophobicContact CB-CB 3.73Å; R217-L257 HydrophobicContact CB-CD2 4.18Å; R217-L257 HydrophobicContact CG-CB 4.31Å |
| 218 | A | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R111 D156 A158 T169 V225 V226 | R111-A218 PolarHBondContact NH2-O 3.04Å; D156-A218 PolarHBondContact OD2-N 2.64Å; D156-A218 VanDerWaalsContact OD2-N 3.13Å; A158-A218 WeakPolarHBondContact CB-O 3.33Å; T169-A218 HydrophobicContact CG2-CB 3.4Å; T169-A218 VanDerWaalsContact CG2-CB 3.4Å; A218-V225 HydrophobicContact CB-CG1 4.03Å; A218-V226 CarbonylContact C-O 3.55Å; A218-V226 WeakPolarHBondContact CA-O 3.32Å |
| 219 | E | 96.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.9 | 174.8 | -80.7 | -62.1 | 171.3 | 0 | 0 | 110.9 | R111 V225 V226 L257 V259 | R111-E219 IonicContact CZ-OE1 2.87Å; R111-E219 IonicContact NH1-OE1 2.87Å; R111-E219 PolarHBondContact NH1-OE1 3.44Å; R111-E219 IonicContact NH1-OE2 3.49Å; R111-E219 IonicContact NH2-OE1 3.12Å; R111-E219 PolarHBondContact NH2-OE1 2.69Å; E219-V225 CarbonylContact O-C 3.58Å; E219-V225 WeakPolarHBondContact O-CA 3.49Å; E219-V226 PolarHBondContact N-O 2.93Å; E219-V226 PolarHBondContact O-N 3.34Å; E219-L257 HydrophobicContact CB-CD2 4.02Å; E219-L257 HydrophobicContact CB-CG 4.3Å; E219-L257 HydrophobicContact CG-CD2 4.2Å; E219-L257 HydrophobicContact CG-CG 4.18Å; E219-V259 HydrophobicContact CB-CB 4.44Å; E219-V259 HydrophobicContact CB-CG2 3.69Å |
| 220 | F | 95.1 | Very high | 92.4 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 144.1 | 174.8 | -79.8 | -89.9 | 0 | 0 | 0 | 111.4 | A158 C160 L165 C167 M177 V225 | A158-F220 HydrophobicContact CB-CD2 3.98Å; A158-F220 HydrophobicContact CB-CE2 4.1Å; A158-F220 WeakPolarHBondContact O-CE2 3.22Å; C160-F220 HydrophobicContact CB-CB 3.94Å; C160-F220 HydrophobicContact CB-CD1 3.7Å; C160-F220 HydrophobicContact CB-CD2 3.76Å; C160-F220 HydrophobicContact CB-CE1 4.13Å; C160-F220 HydrophobicContact CB-CE2 4.18Å; C160-F220 HydrophobicContact CB-CG 3.51Å; C160-F220 HydrophobicContact CB-CZ 4.36Å; L165-F220 HydrophobicContact CB-CE1 3.59Å; L165-F220 HydrophobicContact CB-CZ 3.58Å; L165-F220 HydrophobicContact CD1-CE1 4.16Å; L165-F220 WeakPolarHBondContact O-CZ 3Å; C167-F220 HydrophobicContact CB-CE2 3.88Å; C167-F220 HydrophobicContact CB-CZ 3.92Å; M177-F220 HydrophobicContact SD-CE1 4.39Å; M177-F220 HydrophobicContact SD-CZ 4.08Å; F220-V225 HydrophobicContact CD1-CG2 3.44Å; F220-V225 VanDerWaalsContact CD1-CG2 3.44Å; F220-V225 HydrophobicContact CD2-CG2 4.46Å; F220-V225 HydrophobicContact CE1-CG2 3.24Å; F220-V225 HydrophobicContact CE2-CG2 4.3Å; F220-V225 HydrophobicContact CG-CG2 4.06Å; F220-V225 HydrophobicContact CZ-CG2 3.71Å |
| 221 | S | 91.4 | Very high | 93 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 164.4 | 170.3 | 167.1 | 0 | 0 | 0 | 0 | 109.1 | R163 L223 G224 D261 L280 | R163-S221 PolarHBondContact NH1-O 3.26Å; S221-L223 PolarHBondContact O-N 2.82Å; S221-L223 PolarHBondContact OG-N 2.89Å; S221-L223 VanDerWaalsContact OG-N 3.08Å; S221-G224 PolarHBondContact N-O 3.26Å; S221-G224 PolarHBondContact O-N 3.43Å; S221-D261 WeakPolarHBondContact CA-OD1 3.3Å; S221-D261 WeakPolarHBondContact CB-OD1 3.5Å; S221-D261 PolarHBondContact OG-OD1 3.05Å; S221-L280 WeakPolarHBondContact OG-CD2 3.43Å |
| 222 | I | 86.6 | Confident | 93.2 | Very high | 126 Ų | 126 | 32.7 Ų | 32.7 | 65% | 0.646 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.5 | 165.3 | 65.7 | 175.8 | 0 | 0 | 0 | 112.8 | D261 | I222-D261 HydrophobicContact CD1-CB 4.38Å; I222-D261 HydrophobicContact CG1-CB 4.23Å; I222-D261 WeakPolarHBondContact CG1-OD1 3.32Å; I222-D261 HydrophobicContact CG2-CB 3.95Å; I222-D261 VanDerWaalsContact N-CG 3.32Å; I222-D261 PolarHBondContact N-OD1 3.38Å; I222-D261 PolarHBondContact N-OD2 2.98Å |
| 223 | L | 84.1 | Confident | 93.6 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 40% | 0.398 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -13.3 | -179.5 | -60.6 | -178 | 0 | 0 | 0 | 113.8 | S221 L236 L280 W281 | S221-L223 PolarHBondContact O-N 2.82Å; S221-L223 PolarHBondContact OG-N 2.89Å; S221-L223 VanDerWaalsContact OG-N 3.08Å; L223-L236 HydrophobicContact CB-CD1 4.38Å; L223-L236 HydrophobicContact CB-CD2 4.03Å; L223-L236 HydrophobicContact CD1-CD2 4.01Å; L223-L280 HydrophobicContact CD1-CD2 4.38Å; L223-L280 HydrophobicContact CD1-CG 4.16Å; L223-W281 HydrophobicContact CD1-CB 4.14Å |
| 224 | G | 88.5 | Confident | 93.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.1 | -129.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R163 S221 W237 D239 | R163-G224 PolarHBondContact NH1-O 2.83Å; S221-G224 PolarHBondContact N-O 3.26Å; S221-G224 PolarHBondContact O-N 3.43Å; G224-W237 CarbonylContact C-O 3.49Å; G224-W237 WeakPolarHBondContact CA-O 3.42Å; G224-D239 WeakPolarHBondContact CA-OD1 3.32Å |
| 225 | V | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.1 | 178.1 | 176 | 0 | 0 | 0 | 0 | 109.6 | C167 M177 A218 E219 F220 L236 W237 | C167-V225 HydrophobicContact CB-CG1 4.34Å; C167-V225 HydrophobicContact CB-CG2 4.49Å; M177-V225 HydrophobicContact CE-CB 4.19Å; M177-V225 HydrophobicContact CE-CG2 3.56Å; M177-V225 HydrophobicContact SD-CG2 4.38Å; A218-V225 HydrophobicContact CB-CG1 4.03Å; E219-V225 CarbonylContact O-C 3.58Å; E219-V225 WeakPolarHBondContact O-CA 3.49Å; F220-V225 HydrophobicContact CD1-CG2 3.44Å; F220-V225 VanDerWaalsContact CD1-CG2 3.44Å; F220-V225 HydrophobicContact CD2-CG2 4.46Å; F220-V225 HydrophobicContact CE1-CG2 3.24Å; F220-V225 HydrophobicContact CE2-CG2 4.3Å; F220-V225 HydrophobicContact CG-CG2 4.06Å; F220-V225 HydrophobicContact CZ-CG2 3.71Å; V225-L236 CarbonylContact O-C 3.57Å; V225-L236 WeakPolarHBondContact O-CA 3.18Å; V225-W237 HydrophobicContact CB-CB 4.4Å; V225-W237 PolarHBondContact N-O 2.86Å; V225-W237 PolarHBondContact O-N 2.97Å |
| 226 | V | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.8 | 170.5 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | A218 E219 V234 I235 L236 L257 V259 V266 L280 | A218-V226 CarbonylContact C-O 3.55Å; A218-V226 WeakPolarHBondContact CA-O 3.32Å; E219-V226 PolarHBondContact N-O 2.93Å; E219-V226 PolarHBondContact O-N 3.34Å; V226-V234 HydrophobicContact CG1-CG1 3.75Å; V226-I235 CarbonylContact C-O 3.45Å; V226-I235 VanDerWaalsContact CA-O 3.25Å; V226-I235 WeakPolarHBondContact CA-O 3.21Å; V226-L236 HydrophobicContact CG2-CD1 3.49Å; V226-L236 VanDerWaalsContact CG2-CD1 3.49Å; V226-L257 HydrophobicContact CB-CD1 4.46Å; V226-L257 HydrophobicContact CB-CD2 4.25Å; V226-L257 HydrophobicContact CG1-CD1 3.76Å; V226-L257 HydrophobicContact CG1-CD2 4.11Å; V226-L257 VanDerWaalsContact O-CD2 3.29Å; V226-L257 WeakPolarHBondContact O-CD2 3.46Å; V226-V259 HydrophobicContact CB-CG2 3.95Å; V226-V259 HydrophobicContact CG2-CG2 3.84Å; V226-V266 HydrophobicContact CG1-CG1 4.21Å; V226-V266 HydrophobicContact CG2-CG2 4.32Å; V226-L280 HydrophobicContact CG2-CD1 4.13Å |
| 227 | S | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 155.8 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | H211 R217 V234 I235 W237 | H211-S227 PolarHBondContact NE2-OG 3.08Å; R217-S227 CarbonylContact O-C 3.55Å; R217-S227 VanDerWaalsContact O-CA 3.23Å; R217-S227 WeakPolarHBondContact O-CA 3.28Å; R217-S227 WeakPolarHBondContact O-CB 3.37Å; S227-V234 WeakPolarHBondContact O-CA 3.22Å; S227-I235 PolarHBondContact N-O 2.89Å; S227-I235 PolarHBondContact O-N 2.65Å; S227-W237 PolarHBondContact OG-NE1 3.24Å |
| 228 | T | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 145.9 | 176.3 | 62.8 | 0 | 0 | 0 | 0 | 111.8 | W216 R217 L233 V234 L254 L257 V268 | W216-T228 PolarHBondContact N-O 3.37Å; R217-T228 PolarHBondContact N-O 2.75Å; R217-T228 PolarHBondContact O-N 2.86Å; T228-L233 WeakPolarHBondContact CA-O 3.41Å; T228-V234 HydrophobicContact CG2-CB 4.44Å; T228-V234 HydrophobicContact CG2-CG1 4.22Å; T228-V234 HydrophobicContact CG2-CG2 4.05Å; T228-L254 HydrophobicContact CG2-CD1 4.34Å; T228-L257 HydrophobicContact CG2-CB 4.21Å; T228-L257 HydrophobicContact CG2-CD1 3.83Å; T228-L257 HydrophobicContact CG2-CD2 4.17Å; T228-L257 HydrophobicContact CG2-CG 4.28Å; T228-V268 HydrophobicContact CG2-CG1 4.12Å; T228-V268 HydrophobicContact CG2-CG2 4.31Å |
| 229 | G | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 177.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R214 D231 G232 L233 L254 | R214-G229 CarbonylContact O-C 3.58Å; R214-G229 WeakPolarHBondContact O-CA 3.39Å; G229-D231 WeakPolarHBondContact CA-OD1 3.27Å; G229-D231 PolarHBondContact O-N 2.81Å; G229-G232 PolarHBondContact O-N 2.94Å; G229-L233 PolarHBondContact N-O 2.98Å; G229-L254 WeakPolarHBondContact O-CB 3.45Å; G229-L254 PolarHBondContact O-N 3.44Å |
| 230 | E | 95.7 | Very high | 89.6 | Confident | 71 Ų | 71 | 26.6 Ų | 26.6 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.7 | 172.5 | -175 | 167.2 | -144.2 | 0 | 0 | 112.4 | A213 R214 W216 G232 S253 | A213-E230 HydrophobicContact CB-CB 3.84Å; A213-E230 HydrophobicContact CB-CG 4.32Å; R214-E230 HydrophobicContact CB-CB 4.21Å; R214-E230 VanDerWaalsContact CD-OE2 3.28Å; R214-E230 WeakPolarHBondContact CD-OE2 3.42Å; R214-E230 WeakPolarHBondContact CG-OE2 3.28Å; R214-E230 PolarHBondContact O-N 2.86Å; W216-E230 HydrophobicContact CZ2-CB 4.44Å; E230-G232 PolarHBondContact O-N 3.33Å; E230-S253 WeakPolarHBondContact O-CA 3.27Å |
| 231 | D | 91 | Very high | 88.5 | Confident | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.112 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.6 | 179.3 | 55.5 | 8.5 | 0 | 0 | 0 | 114.7 | H211 S212 A213 G229 L233 H248 | H211-D231 WeakPolarHBondContact CA-OD2 3.42Å; H211-D231 WeakPolarHBondContact CB-OD2 3.31Å; H211-D231 IonicContact CE1-OD1 3.76Å; H211-D231 IonicContact CG-OD2 2.83Å; H211-D231 IonicContact ND1-OD1 3.73Å; H211-D231 PolarHBondContact ND1-OD1 3.19Å; H211-D231 IonicContact ND1-OD2 3.06Å; H211-D231 PolarHBondContact ND1-OD2 2.89Å; S212-D231 PolarHBondContact N-OD2 2.89Å; S212-D231 VanDerWaalsContact OG-CB 3.26Å; S212-D231 WeakPolarHBondContact OG-CB 3.28Å; A213-D231 HydrophobicContact CB-CB 3.93Å; G229-D231 WeakPolarHBondContact CA-OD1 3.27Å; G229-D231 PolarHBondContact O-N 2.81Å; D231-L233 HydrophobicContact CB-CD1 4.47Å; D231-L233 HydrophobicContact CB-CG 4.48Å; D231-L233 PolarHBondContact O-N 2.79Å; D231-L233 WeakPolarHBondContact OD1-CB 3.46Å; D231-L233 PolarHBondContact OD1-N 2.79Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; D231-L233 WeakPolarHBondContact OD2-CD1 3.49Å; D231-H248 PolarHBondContact O-CD2 3.27Å; D231-H248 VanDerWaalsContact O-CD2 3.31Å; D231-H248 PolarHBondContact O-NE2 2.99Å |
| 232 | G | 89 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 76.4 | 6.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G229 E230 V249 S250 L254 | G229-G232 PolarHBondContact O-N 2.94Å; E230-G232 PolarHBondContact O-N 3.33Å; G232-V249 PolarHBondContact O-N 2.98Å; G232-S250 VanDerWaalsContact CA-O 3.24Å; G232-S250 WeakPolarHBondContact CA-O 3.42Å; G232-L254 VanDerWaalsContact C-CD1 3.41Å; G232-L254 WeakPolarHBondContact O-CD1 3.42Å |
| 233 | L | 90.6 | Very high | 86.9 | Confident | 34 Ų | 34 | 24.6 Ų | 24.6 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 144.3 | -177.7 | -70.3 | 172 | 0 | 0 | 0 | 112.5 | H211 T228 G229 D231 I235 K247 H248 L254 | H211-L233 PolarHBondContact CE1-O 3.37Å; T228-L233 WeakPolarHBondContact CA-O 3.41Å; G229-L233 PolarHBondContact N-O 2.98Å; D231-L233 HydrophobicContact CB-CD1 4.47Å; D231-L233 HydrophobicContact CB-CG 4.48Å; D231-L233 PolarHBondContact O-N 2.79Å; D231-L233 WeakPolarHBondContact OD1-CB 3.46Å; D231-L233 PolarHBondContact OD1-N 2.79Å; D231-L233 VanDerWaalsContact OD1-N 3.09Å; D231-L233 WeakPolarHBondContact OD2-CD1 3.49Å; L233-I235 HydrophobicContact CB-CG1 4.34Å; L233-K247 CarbonylContact C-O 3.44Å; L233-K247 VanDerWaalsContact CA-O 3.31Å; L233-K247 WeakPolarHBondContact CA-O 3.43Å; L233-H248 HydrophobicContact CD2-CB 3.77Å; L233-L254 WeakPolarHBondContact O-CD1 3.44Å |
| 234 | V | 92.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.2 | 164.3 | -173.1 | 0 | 0 | 0 | 0 | 107 | V226 S227 T228 A246 K247 V249 L254 V268 L278 | V226-V234 HydrophobicContact CG1-CG1 3.75Å; S227-V234 WeakPolarHBondContact O-CA 3.22Å; T228-V234 HydrophobicContact CG2-CB 4.44Å; T228-V234 HydrophobicContact CG2-CG1 4.22Å; T228-V234 HydrophobicContact CG2-CG2 4.05Å; V234-A246 CarbonylContact O-C 3.56Å; V234-A246 VanDerWaalsContact O-CA 3.27Å; V234-A246 WeakPolarHBondContact O-CA 3.48Å; V234-K247 PolarHBondContact N-O 2.9Å; V234-K247 PolarHBondContact O-N 3.32Å; V234-V249 HydrophobicContact CG2-CG1 4.22Å; V234-V249 HydrophobicContact CG2-CG2 3.7Å; V234-L254 HydrophobicContact CG2-CD1 3.79Å; V234-V268 HydrophobicContact CG2-CG1 4.44Å; V234-V268 HydrophobicContact CG2-CG2 3.82Å; V234-L278 HydrophobicContact CB-CD1 4.14Å; V234-L278 HydrophobicContact CG1-CD1 4.24Å; V234-L278 HydrophobicContact CG2-CD1 3.76Å |
| 235 | I | 90.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131 | -177.8 | -53.4 | -175.5 | 0 | 0 | 0 | 109.2 | V226 S227 L233 W237 I243 A246 | V226-I235 CarbonylContact C-O 3.45Å; V226-I235 VanDerWaalsContact CA-O 3.25Å; V226-I235 WeakPolarHBondContact CA-O 3.21Å; S227-I235 PolarHBondContact N-O 2.89Å; S227-I235 PolarHBondContact O-N 2.65Å; L233-I235 HydrophobicContact CB-CG1 4.34Å; I235-W237 HydrophobicContact CB-CZ2 4.04Å; I235-W237 HydrophobicContact CD1-CH2 4.35Å; I235-W237 HydrophobicContact CD1-CZ2 3.85Å; I235-W237 HydrophobicContact CG2-CD2 3.84Å; I235-W237 VanDerWaalsContact CG2-CE2 3.4Å; I235-W237 HydrophobicContact CG2-CE3 4.35Å; I235-W237 HydrophobicContact CG2-CG 4.34Å; I235-W237 HydrophobicContact CG2-CH2 4.16Å; I235-W237 HydrophobicContact CG2-CZ2 3.6Å; I235-W237 HydrophobicContact CG2-CZ3 4.49Å; I235-I243 HydrophobicContact CG2-CB 4.46Å; I235-I243 HydrophobicContact CG2-CD1 4.44Å; I235-I243 HydrophobicContact CG2-CG1 3.99Å; I235-I243 HydrophobicContact CG2-CG2 3.9Å; I235-A246 HydrophobicContact CB-CB 4.46Å; I235-A246 HydrophobicContact CG1-CB 3.91Å; I235-A246 HydrophobicContact CG2-CB 4.34Å |
| 236 | L | 89 | Confident | 84.9 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.4 | 168 | 179.5 | 68.8 | 0 | 0 | 0 | 109.2 | L223 V225 V226 T244 W245 | L223-L236 HydrophobicContact CB-CD1 4.38Å; L223-L236 HydrophobicContact CB-CD2 4.03Å; L223-L236 HydrophobicContact CD1-CD2 4.01Å; V225-L236 CarbonylContact O-C 3.57Å; V225-L236 WeakPolarHBondContact O-CA 3.18Å; V226-L236 HydrophobicContact CG2-CD1 3.49Å; V226-L236 VanDerWaalsContact CG2-CD1 3.49Å; L236-T244 VanDerWaalsContact CB-OG1 3.28Å; L236-T244 WeakPolarHBondContact CB-OG1 3.26Å; L236-T244 VanDerWaalsContact CD2-OG1 3.22Å; L236-T244 WeakPolarHBondContact CD2-OG1 3.34Å; L236-T244 WeakPolarHBondContact CG-OG1 3.45Å; L236-T244 PolarHBondContact O-N 3.07Å; L236-T244 PolarHBondContact O-OG1 2.96Å; L236-W245 VanDerWaalsContact CB-CD1 3.42Å; L236-W245 HydrophobicContact CB-CG 4.36Å; L236-W245 PolarHBondContact N-O 2.82Å; L236-W245 PolarHBondContact O-N 3.45Å |
| 237 | W | 84.7 | Confident | 84 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.2 | 178.3 | -50.1 | 91.1 | 0 | 0 | 0 | 110.5 | V208 G224 V225 S227 I235 D242 I243 | V208-W237 HydrophobicContact CB-CD2 4.46Å; V208-W237 HydrophobicContact CB-CE3 3.82Å; V208-W237 HydrophobicContact CB-CH2 4.04Å; V208-W237 HydrophobicContact CB-CZ3 3.58Å; V208-W237 HydrophobicContact CG1-CE3 4.18Å; V208-W237 HydrophobicContact CG1-CZ3 4.31Å; V208-W237 HydrophobicContact CG2-CD2 3.85Å; V208-W237 HydrophobicContact CG2-CE3 3.72Å; V208-W237 HydrophobicContact CG2-CH2 3.93Å; V208-W237 HydrophobicContact CG2-CZ2 4.09Å; V208-W237 HydrophobicContact CG2-CZ3 3.76Å; G224-W237 CarbonylContact C-O 3.49Å; G224-W237 WeakPolarHBondContact CA-O 3.42Å; V225-W237 HydrophobicContact CB-CB 4.4Å; V225-W237 PolarHBondContact N-O 2.86Å; V225-W237 PolarHBondContact O-N 2.97Å; S227-W237 PolarHBondContact OG-NE1 3.24Å; I235-W237 HydrophobicContact CB-CZ2 4.04Å; I235-W237 HydrophobicContact CD1-CH2 4.35Å; I235-W237 HydrophobicContact CD1-CZ2 3.85Å; I235-W237 HydrophobicContact CG2-CD2 3.84Å; I235-W237 VanDerWaalsContact CG2-CE2 3.4Å; I235-W237 HydrophobicContact CG2-CE3 4.35Å; I235-W237 HydrophobicContact CG2-CG 4.34Å; I235-W237 HydrophobicContact CG2-CH2 4.16Å; I235-W237 HydrophobicContact CG2-CZ2 3.6Å; I235-W237 HydrophobicContact CG2-CZ3 4.49Å; W237-D242 CarbonylContact C-O 3.58Å; W237-D242 VanDerWaalsContact CA-O 3.31Å; W237-D242 WeakPolarHBondContact CA-O 3.46Å; W237-I243 HydrophobicContact CD2-CG1 4.44Å; W237-I243 HydrophobicContact CE3-CG1 3.6Å; W237-I243 HydrophobicContact CH2-CD1 4Å; W237-I243 HydrophobicContact CH2-CG1 3.88Å; W237-I243 HydrophobicContact CZ3-CD1 3.8Å; W237-I243 HydrophobicContact CZ3-CG1 3.26Å |
| 238 | S | 79.7 | Confident | 83.2 | Confident | 19 Ų | 19 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 166.2 | 167.5 | 81.3 | 0 | 0 | 0 | 0 | 110.8 | Q240 G241 D242 | S238-Q240 PolarHBondContact O-N 3.03Å; S238-Q240 VanDerWaalsContact O-N 3.1Å; S238-Q240 PolarHBondContact OG-N 3.26Å; S238-Q240 VanDerWaalsContact OG-N 3.16Å; S238-G241 PolarHBondContact O-N 2.81Å; S238-G241 PolarHBondContact OG-N 2.89Å; S238-D242 PolarHBondContact N-O 3.32Å; S238-D242 PolarHBondContact OG-N 2.9Å; S238-D242 PolarHBondContact OG-OD2 3.41Å |
| 239 | D | 79.2 | Confident | 82.5 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 27% | 0.267 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.2 | 171.7 | -70.6 | 34.3 | 0 | 0 | 0 | 114 | R163 F206 G224 | R163-D239 VanDerWaalsContact CZ-CG 3.41Å; R163-D239 IonicContact CZ-OD1 3.96Å; R163-D239 IonicContact CZ-OD2 3.04Å; R163-D239 IonicContact NE-OD1 3.35Å; R163-D239 IonicContact NE-OD2 2.89Å; R163-D239 PolarHBondContact NE-OD2 2.91Å; R163-D239 IonicContact NH1-OD1 2.82Å; R163-D239 IonicContact NH2-OD1 2.77Å; R163-D239 PolarHBondContact NH2-OD1 3.11Å; R163-D239 IonicContact NH2-OD2 2.61Å; R163-D239 PolarHBondContact NH2-OD2 2.94Å; F206-D239 VanDerWaalsContact CZ-O 3.28Å; F206-D239 WeakPolarHBondContact CZ-O 3.4Å; G224-D239 WeakPolarHBondContact CA-OD1 3.32Å |
| 240 | Q | 74.5 | Confident | 81.8 | Confident | 120 Ų | 120 | 39.2 Ų | 39.2 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 0.5 | 178.5 | -53.1 | -56.3 | -32.5 | 0 | 0 | 112.3 | S238 | S238-Q240 PolarHBondContact O-N 3.03Å; S238-Q240 VanDerWaalsContact O-N 3.1Å; S238-Q240 PolarHBondContact OG-N 3.26Å; S238-Q240 VanDerWaalsContact OG-N 3.16Å |
| 241 | G | 72.3 | Confident | 81.1 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 87.6 | 8.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F206 V208 S238 | F206-G241 VanDerWaalsContact CE2-CA 3.41Å; F206-G241 VanDerWaalsContact CZ-N 3.31Å; V208-G241 WeakPolarHBondContact CG1-O 3.41Å; S238-G241 PolarHBondContact O-N 2.81Å; S238-G241 PolarHBondContact OG-N 2.89Å |
| 242 | D | 71.4 | Confident | 81 | Confident | 41 Ų | 41 | 46.8 Ų | 46.8 | 22% | 0.219 | 24% | 0.237 | C | C | . | . | trans | -79.3 | 142.1 | 176.5 | -45.7 | -60.4 | 0 | 0 | 0 | 110.2 | W237 S238 T244 R624 | W237-D242 CarbonylContact C-O 3.58Å; W237-D242 VanDerWaalsContact CA-O 3.31Å; W237-D242 WeakPolarHBondContact CA-O 3.46Å; S238-D242 PolarHBondContact N-O 3.32Å; S238-D242 PolarHBondContact OG-N 2.9Å; S238-D242 PolarHBondContact OG-OD2 3.41Å; D242-T244 PolarHBondContact O-N 3.5Å; D242-T244 VanDerWaalsContact O-N 3.17Å; D242-R624 IonicContact OD1-CZ 3.55Å; D242-R624 IonicContact OD1-NH1 3.13Å; D242-R624 PolarHBondContact OD1-NH1 3.35Å; D242-R624 IonicContact OD1-NH2 2.64Å; D242-R624 PolarHBondContact OD1-NH2 3.14Å | ||
| 243 | I | 72.6 | Confident | 81.2 | Confident | 59 Ų | 59 | 47.2 Ų | 47.2 | 30% | 0.303 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 110.5 | 171.7 | -63.6 | 171.5 | 0 | 0 | 0 | 107.9 | I235 W237 A246 | I235-I243 HydrophobicContact CG2-CB 4.46Å; I235-I243 HydrophobicContact CG2-CD1 4.44Å; I235-I243 HydrophobicContact CG2-CG1 3.99Å; I235-I243 HydrophobicContact CG2-CG2 3.9Å; W237-I243 HydrophobicContact CD2-CG1 4.44Å; W237-I243 HydrophobicContact CE3-CG1 3.6Å; W237-I243 HydrophobicContact CH2-CD1 4Å; W237-I243 HydrophobicContact CH2-CG1 3.88Å; W237-I243 HydrophobicContact CZ3-CD1 3.8Å; W237-I243 HydrophobicContact CZ3-CG1 3.26Å; I243-A246 HydrophobicContact CG2-CB 4.16Å |
| 244 | T | 70.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 45.6 Ų | 45.6 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -39.7 | 173.6 | 62 | 0 | 0 | 0 | 0 | 110.9 | L236 D242 | L236-T244 VanDerWaalsContact CB-OG1 3.28Å; L236-T244 WeakPolarHBondContact CB-OG1 3.26Å; L236-T244 VanDerWaalsContact CD2-OG1 3.22Å; L236-T244 WeakPolarHBondContact CD2-OG1 3.34Å; L236-T244 WeakPolarHBondContact CG-OG1 3.45Å; L236-T244 PolarHBondContact O-N 3.07Å; L236-T244 PolarHBondContact O-OG1 2.96Å; D242-T244 PolarHBondContact O-N 3.5Å; D242-T244 VanDerWaalsContact O-N 3.17Å |
| 245 | W | 74.2 | Confident | 81.5 | Confident | 45 Ų | 45 | 49.6 Ų | 49.6 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 158.2 | 169.1 | 86.2 | -89.4 | 0 | 0 | 0 | 110.8 | L236 K247 L278 L280 | L236-W245 VanDerWaalsContact CB-CD1 3.42Å; L236-W245 HydrophobicContact CB-CG 4.36Å; L236-W245 PolarHBondContact N-O 2.82Å; L236-W245 PolarHBondContact O-N 3.45Å; W245-K247 HydrophobicContact CE3-CB 4.19Å; W245-K247 HydrophobicContact CH2-CB 3.59Å; W245-K247 HydrophobicContact CH2-CD 4.07Å; W245-K247 HydrophobicContact CH2-CG 4.2Å; W245-K247 HydrophobicContact CZ3-CB 3.18Å; W245-K247 HydrophobicContact CZ3-CD 3.73Å; W245-K247 HydrophobicContact CZ3-CG 3.55Å; W245-L278 HydrophobicContact CH2-CD1 4.28Å; W245-L280 PolarHBondContact NE1-O 3.39Å |
| 246 | A | 80.1 | Confident | 81.7 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 140.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V234 I235 I243 | V234-A246 CarbonylContact O-C 3.56Å; V234-A246 VanDerWaalsContact O-CA 3.27Å; V234-A246 WeakPolarHBondContact O-CA 3.48Å; I235-A246 HydrophobicContact CB-CB 4.46Å; I235-A246 HydrophobicContact CG1-CB 3.91Å; I235-A246 HydrophobicContact CG2-CB 4.34Å; I243-A246 HydrophobicContact CG2-CB 4.16Å |
| 247 | K | 77.2 | Confident | 82 | Confident | 91 Ų | 91 | 52.6 Ų | 52.6 | 40% | 0.396 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | 167.7 | -122.4 | 172.7 | 153.9 | 150.4 | 0 | 111.6 | L233 V234 W245 V249 L278 | L233-K247 CarbonylContact C-O 3.44Å; L233-K247 VanDerWaalsContact CA-O 3.31Å; L233-K247 WeakPolarHBondContact CA-O 3.43Å; V234-K247 PolarHBondContact N-O 2.9Å; V234-K247 PolarHBondContact O-N 3.32Å; W245-K247 HydrophobicContact CE3-CB 4.19Å; W245-K247 HydrophobicContact CH2-CB 3.59Å; W245-K247 HydrophobicContact CH2-CD 4.07Å; W245-K247 HydrophobicContact CH2-CG 4.2Å; W245-K247 HydrophobicContact CZ3-CB 3.18Å; W245-K247 HydrophobicContact CZ3-CD 3.73Å; W245-K247 HydrophobicContact CZ3-CG 3.55Å; K247-V249 HydrophobicContact CB-CG1 3.65Å; K247-V249 HydrophobicContact CD-CG1 4.1Å; K247-V249 HydrophobicContact CG-CG1 4.23Å; K247-L278 HydrophobicContact CD-CD2 4.49Å |
| 248 | H | 79.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 58 Ų | 58 | 38% | 0.384 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 121.4 | 155.9 | -171.6 | -83.5 | 0 | 0 | 0 | 109 | D231 L233 S250 | D231-H248 PolarHBondContact O-CD2 3.27Å; D231-H248 VanDerWaalsContact O-CD2 3.31Å; D231-H248 PolarHBondContact O-NE2 2.99Å; L233-H248 HydrophobicContact CD2-CB 3.77Å; H248-S250 VanDerWaalsContact CE1-C 3.45Å; H248-S250 PolarHBondContact CE1-O 3.24Å; H248-S250 PolarHBondContact NE2-O 2.81Å; H248-S250 VanDerWaalsContact NE2-O 3.15Å |
| 249 | V | 82 | Confident | 83.1 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | trans | -120.5 | -17.9 | -175.1 | -57.3 | 0 | 0 | 0 | 0 | 114.1 | G232 V234 K247 L254 I276 L278 | G232-V249 PolarHBondContact O-N 2.98Å; V234-V249 HydrophobicContact CG2-CG1 4.22Å; V234-V249 HydrophobicContact CG2-CG2 3.7Å; K247-V249 HydrophobicContact CB-CG1 3.65Å; K247-V249 HydrophobicContact CD-CG1 4.1Å; K247-V249 HydrophobicContact CG-CG1 4.23Å; V249-L254 HydrophobicContact CG2-CD1 3.85Å; V249-L254 HydrophobicContact CG2-CD2 4.13Å; V249-I276 HydrophobicContact CB-CD1 4.19Å; V249-I276 HydrophobicContact CB-CG2 4.39Å; V249-I276 HydrophobicContact CG2-CD1 3.98Å; V249-I276 WeakPolarHBondContact O-CD1 3.47Å; V249-L278 HydrophobicContact CG1-CD1 3.64Å; V249-L278 HydrophobicContact CG1-CD2 3.82Å; V249-L278 HydrophobicContact CG1-CG 4.32Å | ||
| 250 | S | 81.1 | Confident | 83.7 | Confident | 16 Ų | 16 | 57 Ų | 57 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | trans | -142.9 | 147.2 | 177 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | G232 H248 T252 | G232-S250 VanDerWaalsContact CA-O 3.24Å; G232-S250 WeakPolarHBondContact CA-O 3.42Å; H248-S250 VanDerWaalsContact CE1-C 3.45Å; H248-S250 PolarHBondContact CE1-O 3.24Å; H248-S250 PolarHBondContact NE2-O 2.81Å; H248-S250 VanDerWaalsContact NE2-O 3.15Å; S250-T252 PolarHBondContact O-N 2.93Å; S250-T252 PolarHBondContact OG-N 2.82Å; S250-T252 VanDerWaalsContact OG-N 3.1Å; S250-T252 PolarHBondContact OG-O 2.91Å; S250-T252 PolarHBondContact OG-OG1 3.4Å | ||
| 251 | R | 81.1 | Confident | 84.3 | Confident | 201 Ų | 201 | 53.5 Ų | 53.5 | 76% | 0.758 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -79.7 | -1.1 | 169.6 | -62.1 | -178 | -174.5 | 172.7 | 1.7 | 112.8 | ||
| 252 | T | 88.4 | Confident | 84.7 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -117.6 | 162.7 | 178.6 | 70.7 | 0 | 0 | 0 | 0 | 110.4 | S250 | S250-T252 PolarHBondContact O-N 2.93Å; S250-T252 PolarHBondContact OG-N 2.82Å; S250-T252 VanDerWaalsContact OG-N 3.1Å; S250-T252 PolarHBondContact OG-O 2.91Å; S250-T252 PolarHBondContact OG-OG1 3.4Å |
| 253 | S | 94.5 | Very high | 85.1 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | trans | -55 | 138.3 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 113 | W216 E230 R255 A270 D271 | W216-S253 PolarHBondContact NE1-OG 3.1Å; E230-S253 WeakPolarHBondContact O-CA 3.27Å; S253-R255 PolarHBondContact OG-NE 3.35Å; S253-A270 CarbonylContact O-C 3.6Å; S253-A270 WeakPolarHBondContact O-CA 3.23Å; S253-D271 WeakPolarHBondContact CB-OD2 3.39Å; S253-D271 PolarHBondContact O-N 2.98Å | ||
| 254 | L | 95.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.1 | 176.5 | -57.3 | 175.7 | 0 | 0 | 0 | 109.6 | W216 T228 G229 G232 L233 V234 V249 V268 G269 A270 | W216-L254 VanDerWaalsContact CD1-O 3.25Å; T228-L254 HydrophobicContact CG2-CD1 4.34Å; G229-L254 WeakPolarHBondContact O-CB 3.45Å; G229-L254 PolarHBondContact O-N 3.44Å; G232-L254 VanDerWaalsContact C-CD1 3.41Å; G232-L254 WeakPolarHBondContact O-CD1 3.42Å; L233-L254 WeakPolarHBondContact O-CD1 3.44Å; V234-L254 HydrophobicContact CG2-CD1 3.79Å; V249-L254 HydrophobicContact CG2-CD1 3.85Å; V249-L254 HydrophobicContact CG2-CD2 4.13Å; L254-V268 HydrophobicContact CB-CG1 3.79Å; L254-V268 HydrophobicContact CD1-CG1 3.79Å; L254-V268 HydrophobicContact CD2-CG1 3.64Å; L254-V268 HydrophobicContact CG-CG1 3.91Å; L254-G269 CarbonylContact C-O 3.45Å; L254-G269 WeakPolarHBondContact CA-O 3.29Å; L254-A270 HydrophobicContact CD2-CB 3.89Å |
| 255 | R | 93.3 | Very high | 86.4 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -26.5 | -172 | -61.3 | -60.5 | -166.5 | 170 | 1.3 | 114.1 | R217 S253 G269 D271 | R217-R255 VanDerWaalsContact CG-O 3.31Å; R217-R255 WeakPolarHBondContact CG-O 3.36Å; R217-R255 PolarHBondContact NH1-O 3.01Å; S253-R255 PolarHBondContact OG-NE 3.35Å; R255-G269 PolarHBondContact N-O 2.86Å; R255-D271 WeakPolarHBondContact CD-OD1 3.48Å; R255-D271 WeakPolarHBondContact CG-OD1 3.2Å; R255-D271 IonicContact CZ-OD1 3.96Å; R255-D271 IonicContact CZ-OD2 2.98Å; R255-D271 IonicContact NE-OD1 3.13Å; R255-D271 PolarHBondContact NE-OD1 2.8Å; R255-D271 IonicContact NE-OD2 3.94Å; R255-D271 PolarHBondContact NE-OD2 2.87Å; R255-D271 IonicContact NH2-OD2 3.48Å; R255-D271 PolarHBondContact NH2-OD2 3.24Å |
| 256 | A | 93.7 | Very high | 87.2 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V268 G269 | A256-V268 CarbonylContact O-C 3.58Å; A256-V268 VanDerWaalsContact O-CA 3.3Å; A256-V268 WeakPolarHBondContact O-CA 3.35Å; A256-G269 PolarHBondContact N-O 3.45Å; A256-G269 PolarHBondContact O-N 3.25Å |
| 257 | L | 96 | Very high | 87.8 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.5 | 179.7 | 174.4 | 61.2 | 0 | 0 | 0 | 108.7 | R217 E219 V226 T228 V259 V266 L267 V268 | R217-L257 HydrophobicContact CB-CB 3.73Å; R217-L257 HydrophobicContact CB-CD2 4.18Å; R217-L257 HydrophobicContact CG-CB 4.31Å; E219-L257 HydrophobicContact CB-CD2 4.02Å; E219-L257 HydrophobicContact CB-CG 4.3Å; E219-L257 HydrophobicContact CG-CD2 4.2Å; E219-L257 HydrophobicContact CG-CG 4.18Å; V226-L257 HydrophobicContact CB-CD1 4.46Å; V226-L257 HydrophobicContact CB-CD2 4.25Å; V226-L257 HydrophobicContact CG1-CD1 3.76Å; V226-L257 HydrophobicContact CG1-CD2 4.11Å; V226-L257 VanDerWaalsContact O-CD2 3.29Å; V226-L257 WeakPolarHBondContact O-CD2 3.46Å; T228-L257 HydrophobicContact CG2-CB 4.21Å; T228-L257 HydrophobicContact CG2-CD1 3.83Å; T228-L257 HydrophobicContact CG2-CD2 4.17Å; T228-L257 HydrophobicContact CG2-CG 4.28Å; L257-V259 HydrophobicContact CD1-CG2 4.44Å; L257-V266 HydrophobicContact CD1-CG1 3.41Å; L257-V266 VanDerWaalsContact CD1-CG1 3.41Å; L257-L267 WeakPolarHBondContact CA-O 3.38Å; L257-V268 HydrophobicContact CD1-CG2 4.37Å |
| 258 | Y | 94.2 | Very high | 88.6 | Confident | 118 Ų | 118 | 53.9 Ų | 53.9 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.5 | 171 | 172.6 | -103.2 | 0 | 0 | 0 | 109.7 | N260 Y265 V266 L267 | Y258-N260 HydrophobicContact CE1-CB 3.84Å; Y258-N260 PolarHBondContact OH-ND2 3.39Å; Y258-Y265 HydrophobicContact CD1-CE2 4.44Å; Y258-Y265 HydrophobicContact CE1-CE2 4.32Å; Y258-V266 CarbonylContact O-C 3.41Å; Y258-V266 WeakPolarHBondContact O-CA 3.26Å; Y258-L267 HydrophobicContact CD1-CB 4.5Å; Y258-L267 HydrophobicContact CD1-CD1 4.11Å; Y258-L267 HydrophobicContact CD1-CG 4.46Å; Y258-L267 PolarHBondContact N-O 3.33Å; Y258-L267 PolarHBondContact O-N 2.87Å |
| 259 | V | 94.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.6 | -179.7 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | E219 V226 L257 V266 L280 | E219-V259 HydrophobicContact CB-CB 4.44Å; E219-V259 HydrophobicContact CB-CG2 3.69Å; V226-V259 HydrophobicContact CB-CG2 3.95Å; V226-V259 HydrophobicContact CG2-CG2 3.84Å; L257-V259 HydrophobicContact CD1-CG2 4.44Å; V259-V266 HydrophobicContact CG2-CG2 4.44Å; V259-L280 HydrophobicContact CG1-CD1 4.03Å |
| 260 | N | 90.6 | Very high | 89.7 | Confident | 30 Ų | 30 | 49.5 Ų | 49.5 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 101 | 170.5 | -169.3 | -46.8 | 0 | 0 | 0 | 109.1 | Y258 E262 A263 S264 Y265 | Y258-N260 HydrophobicContact CE1-CB 3.84Å; Y258-N260 PolarHBondContact OH-ND2 3.39Å; N260-E262 PolarHBondContact OD1-N 2.84Å; N260-A263 WeakPolarHBondContact OD1-CB 3.44Å; N260-A263 PolarHBondContact OD1-N 2.77Å; N260-S264 WeakPolarHBondContact O-CA 3.48Å; N260-S264 PolarHBondContact O-N 3.32Å; N260-Y265 HydrophobicContact CB-CD1 4.42Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 4.07Å; N260-Y265 HydrophobicContact CB-CE2 3.86Å; N260-Y265 PolarHBondContact N-O 3.09Å; N260-Y265 PolarHBondContact O-N 2.96Å |
| 261 | D | 87.2 | Confident | 90.2 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -41.5 | -179.7 | -71 | -57.2 | 0 | 0 | 0 | 112.2 | S221 I222 A263 S264 L280 | S221-D261 WeakPolarHBondContact CA-OD1 3.3Å; S221-D261 WeakPolarHBondContact CB-OD1 3.5Å; S221-D261 PolarHBondContact OG-OD1 3.05Å; I222-D261 HydrophobicContact CD1-CB 4.38Å; I222-D261 HydrophobicContact CG1-CB 4.23Å; I222-D261 WeakPolarHBondContact CG1-OD1 3.32Å; I222-D261 HydrophobicContact CG2-CB 3.95Å; I222-D261 VanDerWaalsContact N-CG 3.32Å; I222-D261 PolarHBondContact N-OD1 3.38Å; I222-D261 PolarHBondContact N-OD2 2.98Å; D261-A263 PolarHBondContact O-N 3.46Å; D261-S264 PolarHBondContact O-N 3.3Å; D261-S264 VanDerWaalsContact O-N 3.13Å; D261-L280 WeakPolarHBondContact OD1-CD2 3.45Å |
| 262 | E | 81.3 | Confident | 90.4 | Very high | 196 Ų | 196 | 46.8 Ų | 46.8 | 92% | 0.916 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -44.7 | -177.5 | -67.1 | -176.2 | 169.7 | 0 | 0 | 112.2 | N260 S264 | N260-E262 PolarHBondContact OD1-N 2.84Å; E262-S264 VanDerWaalsContact C-N 3.31Å |
| 263 | A | 79.2 | Confident | 90.1 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N260 D261 Y265 | N260-A263 WeakPolarHBondContact OD1-CB 3.44Å; N260-A263 PolarHBondContact OD1-N 2.77Å; D261-A263 PolarHBondContact O-N 3.46Å; A263-Y265 HydrophobicContact CB-CD1 3.5Å; A263-Y265 HydrophobicContact CB-CE1 3.28Å; A263-Y265 WeakPolarHBondContact O-CD1 3.48Å; A263-Y265 PolarHBondContact O-N 2.76Å |
| 264 | S | 84.2 | Confident | 89.7 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 46.1 | 174.3 | -146.1 | 0 | 0 | 0 | 0 | 114.7 | N260 D261 E262 L280 W281 | N260-S264 WeakPolarHBondContact O-CA 3.48Å; N260-S264 PolarHBondContact O-N 3.32Å; D261-S264 PolarHBondContact O-N 3.3Å; D261-S264 VanDerWaalsContact O-N 3.13Å; E262-S264 VanDerWaalsContact C-N 3.31Å; S264-L280 PolarHBondContact O-N 2.84Å; S264-W281 PolarHBondContact OG-NE1 3.41Å |
| 265 | Y | 86.3 | Confident | 89.4 | Confident | 45 Ų | 45 | 55.6 Ų | 55.6 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 161 | 176.2 | 70.1 | -103.4 | 0 | 0 | 0 | 113.3 | Y258 N260 A263 L267 R277 L278 | Y258-Y265 HydrophobicContact CD1-CE2 4.44Å; Y258-Y265 HydrophobicContact CE1-CE2 4.32Å; N260-Y265 HydrophobicContact CB-CD1 4.42Å; N260-Y265 HydrophobicContact CB-CD2 4.29Å; N260-Y265 HydrophobicContact CB-CE1 4.07Å; N260-Y265 HydrophobicContact CB-CE2 3.86Å; N260-Y265 PolarHBondContact N-O 3.09Å; N260-Y265 PolarHBondContact O-N 2.96Å; A263-Y265 HydrophobicContact CB-CD1 3.5Å; A263-Y265 HydrophobicContact CB-CE1 3.28Å; A263-Y265 WeakPolarHBondContact O-CD1 3.48Å; A263-Y265 PolarHBondContact O-N 2.76Å; Y265-L267 HydrophobicContact CD2-CD2 4.13Å; Y265-L267 HydrophobicContact CD2-CG 3.85Å; Y265-L267 HydrophobicContact CE2-CD1 3.79Å; Y265-L267 HydrophobicContact CE2-CD2 4.13Å; Y265-L267 HydrophobicContact CE2-CG 3.59Å; Y265-R277 HydrophobicContact CD2-CG 4.34Å; Y265-R277 HydrophobicContact CG-CG 4.35Å; Y265-L278 CarbonylContact C-O 3.52Å; Y265-L278 VanDerWaalsContact CA-O 3.23Å; Y265-L278 WeakPolarHBondContact CA-O 3.33Å; Y265-L278 VanDerWaalsContact CB-O 3.3Å; Y265-L278 WeakPolarHBondContact CB-O 3.47Å |
| 266 | V | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 136.1 | 171 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | V226 L257 Y258 V259 V268 R277 L278 L280 | V226-V266 HydrophobicContact CG1-CG1 4.21Å; V226-V266 HydrophobicContact CG2-CG2 4.32Å; L257-V266 HydrophobicContact CD1-CG1 3.41Å; L257-V266 VanDerWaalsContact CD1-CG1 3.41Å; Y258-V266 CarbonylContact O-C 3.41Å; Y258-V266 WeakPolarHBondContact O-CA 3.26Å; V259-V266 HydrophobicContact CG2-CG2 4.44Å; V266-V268 HydrophobicContact CG1-CG2 3.89Å; V266-R277 WeakPolarHBondContact O-CA 3.47Å; V266-L278 HydrophobicContact CB-CB 4.48Å; V266-L278 PolarHBondContact N-O 3.08Å; V266-L278 PolarHBondContact O-N 2.78Å; V266-L280 HydrophobicContact CG2-CB 4.41Å; V266-L280 HydrophobicContact CG2-CD1 3.52Å |
| 267 | L | 92.8 | Very high | 88.8 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136 | 168.2 | -64.4 | 175.5 | 0 | 0 | 0 | 109.6 | L257 Y258 Y265 I275 I276 R277 | L257-L267 WeakPolarHBondContact CA-O 3.38Å; Y258-L267 HydrophobicContact CD1-CB 4.5Å; Y258-L267 HydrophobicContact CD1-CD1 4.11Å; Y258-L267 HydrophobicContact CD1-CG 4.46Å; Y258-L267 PolarHBondContact N-O 3.33Å; Y258-L267 PolarHBondContact O-N 2.87Å; Y265-L267 HydrophobicContact CD2-CD2 4.13Å; Y265-L267 HydrophobicContact CD2-CG 3.85Å; Y265-L267 HydrophobicContact CE2-CD1 3.79Å; Y265-L267 HydrophobicContact CE2-CD2 4.13Å; Y265-L267 HydrophobicContact CE2-CG 3.59Å; L267-I275 HydrophobicContact CD2-CG2 4.39Å; L267-I276 WeakPolarHBondContact CA-O 3.47Å; L267-R277 HydrophobicContact CD2-CB 3.67Å; L267-R277 HydrophobicContact CD2-CG 3.86Å |
| 268 | V | 94.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.8 | -179 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | T228 V234 L254 A256 L257 V266 I275 I276 L278 | T228-V268 HydrophobicContact CG2-CG1 4.12Å; T228-V268 HydrophobicContact CG2-CG2 4.31Å; V234-V268 HydrophobicContact CG2-CG1 4.44Å; V234-V268 HydrophobicContact CG2-CG2 3.82Å; L254-V268 HydrophobicContact CB-CG1 3.79Å; L254-V268 HydrophobicContact CD1-CG1 3.79Å; L254-V268 HydrophobicContact CD2-CG1 3.64Å; L254-V268 HydrophobicContact CG-CG1 3.91Å; A256-V268 CarbonylContact O-C 3.58Å; A256-V268 VanDerWaalsContact O-CA 3.3Å; A256-V268 WeakPolarHBondContact O-CA 3.35Å; L257-V268 HydrophobicContact CD1-CG2 4.37Å; V266-V268 HydrophobicContact CG1-CG2 3.89Å; V268-I275 CarbonylContact O-C 3.49Å; V268-I275 WeakPolarHBondContact O-CA 3.06Å; V268-I276 PolarHBondContact N-O 2.94Å; V268-I276 PolarHBondContact O-N 3.25Å; V268-L278 HydrophobicContact CG2-CD1 4.29Å |
| 269 | G | 93.3 | Very high | 87.4 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L254 R255 A256 S274 | L254-G269 CarbonylContact C-O 3.45Å; L254-G269 WeakPolarHBondContact CA-O 3.29Å; R255-G269 PolarHBondContact N-O 2.86Å; A256-G269 PolarHBondContact N-O 3.45Å; A256-G269 PolarHBondContact O-N 3.25Å; G269-S274 WeakPolarHBondContact CA-O 3.14Å |
| 270 | A | 92.4 | Very high | 86.4 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 158 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S253 L254 S272 G273 S274 | S253-A270 CarbonylContact O-C 3.6Å; S253-A270 WeakPolarHBondContact O-CA 3.23Å; L254-A270 HydrophobicContact CD2-CB 3.89Å; A270-S272 PolarHBondContact O-N 3.47Å; A270-G273 PolarHBondContact O-N 2.81Å; A270-S274 PolarHBondContact N-O 2.95Å |
| 271 | D | 90.3 | Very high | 85.1 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.8 | 175.6 | -83.9 | -3.3 | 0 | 0 | 0 | 113.3 | S253 R255 G273 | S253-D271 WeakPolarHBondContact CB-OD2 3.39Å; S253-D271 PolarHBondContact O-N 2.98Å; R255-D271 WeakPolarHBondContact CD-OD1 3.48Å; R255-D271 WeakPolarHBondContact CG-OD1 3.2Å; R255-D271 IonicContact CZ-OD1 3.96Å; R255-D271 IonicContact CZ-OD2 2.98Å; R255-D271 IonicContact NE-OD1 3.13Å; R255-D271 PolarHBondContact NE-OD1 2.8Å; R255-D271 IonicContact NE-OD2 3.94Å; R255-D271 PolarHBondContact NE-OD2 2.87Å; R255-D271 IonicContact NH2-OD2 3.48Å; R255-D271 PolarHBondContact NH2-OD2 3.24Å; D271-G273 PolarHBondContact O-N 3.21Å |
| 272 | S | 85.1 | Confident | 83.6 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 49% | 0.49 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -4.4 | 172.8 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | A270 S274 | A270-S272 PolarHBondContact O-N 3.47Å; S272-S274 PolarHBondContact O-N 2.74Å; S272-S274 WeakPolarHBondContact OG-CB 3.24Å; S272-S274 PolarHBondContact OG-N 3.36Å; S272-S274 PolarHBondContact OG-OG 3.01Å |
| 273 | G | 83.6 | Confident | 82 | Confident | 67 Ų | 67 | 52 Ų | 52 | 69% | 0.691 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 81.3 | 0.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A270 D271 | A270-G273 PolarHBondContact O-N 2.81Å; D271-G273 PolarHBondContact O-N 3.21Å |
| 274 | S | 86.2 | Confident | 80.8 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -72.7 | 141.1 | 179.4 | -59 | 0 | 0 | 0 | 0 | 111.8 | G269 A270 S272 | G269-S274 WeakPolarHBondContact CA-O 3.14Å; A270-S274 PolarHBondContact N-O 2.95Å; S272-S274 PolarHBondContact O-N 2.74Å; S272-S274 WeakPolarHBondContact OG-CB 3.24Å; S272-S274 PolarHBondContact OG-N 3.36Å; S272-S274 PolarHBondContact OG-OG 3.01Å | ||
| 275 | I | 88.3 | Confident | 79.1 | Confident | 122 Ų | 122 | 55 Ų | 55 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.4 | 168.1 | -59 | 173.7 | 0 | 0 | 0 | 108 | L267 V268 | L267-I275 HydrophobicContact CD2-CG2 4.39Å; V268-I275 CarbonylContact O-C 3.49Å; V268-I275 WeakPolarHBondContact O-CA 3.06Å |
| 276 | I | 87.6 | Confident | 77.7 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.4 | -176.1 | -58 | 165.3 | 0 | 0 | 0 | 108.4 | V249 L267 V268 L278 | V249-I276 HydrophobicContact CB-CD1 4.19Å; V249-I276 HydrophobicContact CB-CG2 4.39Å; V249-I276 HydrophobicContact CG2-CD1 3.98Å; V249-I276 WeakPolarHBondContact O-CD1 3.47Å; L267-I276 WeakPolarHBondContact CA-O 3.47Å; V268-I276 PolarHBondContact N-O 2.94Å; V268-I276 PolarHBondContact O-N 3.25Å; I276-L278 HydrophobicContact CG2-CD2 3.95Å; I276-L278 HydrophobicContact CG2-CG 4.15Å |
| 277 | R | 87.2 | Confident | 76 | Confident | 101 Ų | 101 | 64.9 Ų | 64.9 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.4 | 172.6 | -176.3 | 179.9 | 176 | -166.7 | -1.2 | 110 | Y265 V266 L267 | Y265-R277 HydrophobicContact CD2-CG 4.34Å; Y265-R277 HydrophobicContact CG-CG 4.35Å; V266-R277 WeakPolarHBondContact O-CA 3.47Å; L267-R277 HydrophobicContact CD2-CB 3.67Å; L267-R277 HydrophobicContact CD2-CG 3.86Å |
| 278 | L | 83.7 | Confident | 74.5 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.3 | 176.5 | -57.3 | 168.4 | 0 | 0 | 0 | 109.4 | V234 W245 K247 V249 Y265 V266 V268 I276 | V234-L278 HydrophobicContact CB-CD1 4.14Å; V234-L278 HydrophobicContact CG1-CD1 4.24Å; V234-L278 HydrophobicContact CG2-CD1 3.76Å; W245-L278 HydrophobicContact CH2-CD1 4.28Å; K247-L278 HydrophobicContact CD-CD2 4.49Å; V249-L278 HydrophobicContact CG1-CD1 3.64Å; V249-L278 HydrophobicContact CG1-CD2 3.82Å; V249-L278 HydrophobicContact CG1-CG 4.32Å; Y265-L278 CarbonylContact C-O 3.52Å; Y265-L278 VanDerWaalsContact CA-O 3.23Å; Y265-L278 WeakPolarHBondContact CA-O 3.33Å; Y265-L278 VanDerWaalsContact CB-O 3.3Å; Y265-L278 WeakPolarHBondContact CB-O 3.47Å; V266-L278 HydrophobicContact CB-CB 4.48Å; V266-L278 PolarHBondContact N-O 3.08Å; V266-L278 PolarHBondContact O-N 2.78Å; V268-L278 HydrophobicContact CG2-CD1 4.29Å; I276-L278 HydrophobicContact CG2-CD2 3.95Å; I276-L278 HydrophobicContact CG2-CG 4.15Å |
| 279 | P | 77 | Confident | 72.8 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 141.4 | 165.3 | 30.5 | -34 | 0 | 0 | 0 | 108.9 | W281 | P279-W281 PolarHBondContact O-N 2.91Å |
| 280 | L | 72.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -65.4 | -32.7 | -179.4 | 179.3 | 63.4 | 0 | 0 | 0 | 111.8 | S221 L223 V226 W245 V259 D261 S264 V266 | S221-L280 WeakPolarHBondContact OG-CD2 3.43Å; L223-L280 HydrophobicContact CD1-CD2 4.38Å; L223-L280 HydrophobicContact CD1-CG 4.16Å; V226-L280 HydrophobicContact CG2-CD1 4.13Å; W245-L280 PolarHBondContact NE1-O 3.39Å; V259-L280 HydrophobicContact CG1-CD1 4.03Å; D261-L280 WeakPolarHBondContact OD1-CD2 3.45Å; S264-L280 PolarHBondContact O-N 2.84Å; V266-L280 HydrophobicContact CG2-CB 4.41Å; V266-L280 HydrophobicContact CG2-CD1 3.52Å |
| 281 | W | 63.9 | Low | 69.8 | Low | 115 Ų | 115 | 81.8 Ų | 81.8 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -130.1 | 140.7 | 173.6 | 60.1 | -72.7 | 0 | 0 | 0 | 110 | L223 S264 P279 T283 | L223-W281 HydrophobicContact CD1-CB 4.14Å; S264-W281 PolarHBondContact OG-NE1 3.41Å; P279-W281 PolarHBondContact O-N 2.91Å; W281-T283 HydrophobicContact CH2-CG2 3.63Å; W281-T283 HydrophobicContact CZ2-CG2 4.29Å; W281-T283 HydrophobicContact CZ3-CG2 3.9Å; W281-T283 PolarHBondContact O-N 2.8Å |
| 282 | P | 55.1 | Low | 68.4 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 42% | 0.422 | 45% | 0.445 | S | S | . | . | trans | -64 | 123.6 | 169.6 | 25.1 | -30.1 | 0 | 0 | 0 | 108.9 | I284 | P282-I284 HydrophobicContact CB-CD1 4.42Å; P282-I284 HydrophobicContact CB-CG1 4.33Å; P282-I284 PolarHBondContact O-N 2.89Å | ||
| 283 | T | 49.5 | Very low | 67.2 | Low | 98 Ų | 98 | 83 Ų | 83 | 60% | 0.601 | 43% | 0.432 | S | S | * | . | trans | -71.6 | 78.3 | 177.7 | -37.5 | 0 | 0 | 0 | 0 | 110 | W281 | W281-T283 HydrophobicContact CH2-CG2 3.63Å; W281-T283 HydrophobicContact CZ2-CG2 4.29Å; W281-T283 HydrophobicContact CZ3-CG2 3.9Å; W281-T283 PolarHBondContact O-N 2.8Å | ||
| 284 | I | 53.4 | Low | 65.8 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | trans | -99.7 | 105.7 | 171.4 | -58.7 | 173.8 | 0 | 0 | 0 | 107.1 | P282 T286 I563 | P282-I284 HydrophobicContact CB-CD1 4.42Å; P282-I284 HydrophobicContact CB-CG1 4.33Å; P282-I284 PolarHBondContact O-N 2.89Å; I284-T286 PolarHBondContact O-N 2.78Å; I284-I563 HydrophobicContact CD1-CB 4.43Å; I284-I563 HydrophobicContact CD1-CD1 4.02Å; I284-I563 HydrophobicContact CD1-CG1 4Å; I284-I563 HydrophobicContact CG2-CD1 3.9Å | ||
| 285 | T | 48.7 | Very low | 64.3 | Low | 89 Ų | 89 | 87.3 Ų | 87.3 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | trans | -86.7 | 99.9 | 171.9 | -48.7 | 0 | 0 | 0 | 0 | 108.4 | Y287 | T285-Y287 HydrophobicContact CG2-CD2 4.3Å; T285-Y287 HydrophobicContact CG2-CE1 4.26Å; T285-Y287 HydrophobicContact CG2-CE2 3.66Å; T285-Y287 WeakPolarHBondContact O-CD2 3.31Å; T285-Y287 PolarHBondContact O-N 3.06Å | ||
| 286 | T | 55.5 | Low | 63 | Low | 106 Ų | 106 | 87.6 Ų | 87.6 | 65% | 0.65 | 43% | 0.434 | S | S | * | . | trans | -81.1 | 115.4 | 174.6 | -55 | 0 | 0 | 0 | 0 | 109.6 | I284 | I284-T286 PolarHBondContact O-N 2.78Š| ||
| 287 | Y | 56.2 | Low | 61.7 | Low | 149 Ų | 149 | 92 Ų | 92 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | trans | -91.3 | 116.1 | 169.9 | -63.6 | -88.7 | 0 | 0 | 0 | 109.2 | T285 F289 L313 | T285-Y287 HydrophobicContact CG2-CD2 4.3Å; T285-Y287 HydrophobicContact CG2-CE1 4.26Å; T285-Y287 HydrophobicContact CG2-CE2 3.66Å; T285-Y287 WeakPolarHBondContact O-CD2 3.31Å; T285-Y287 PolarHBondContact O-N 3.06Å; Y287-F289 VanDerWaalsContact CB-CZ 3.41Å; Y287-F289 HydrophobicContact CD1-CZ 4.13Å; Y287-F289 HydrophobicContact CG-CE2 4.21Å; Y287-F289 AromaticContact CG-CZ 3.94Å; Y287-F289 HydrophobicContact CG-CZ 3.94Å; Y287-L313 HydrophobicContact CD2-CD2 4.41Å | ||
| 288 | K | 60.8 | Low | 60.3 | Low | 188 Ų | 188 | 92.2 Ų | 92.2 | 82% | 0.817 | 47% | 0.466 | S | S | * | . | trans | -93.8 | 106.1 | 168.8 | -77.2 | -173.2 | 178.4 | -179.9 | 0 | 108.8 | ||||
| 289 | F | 59.1 | Low | 59.6 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | trans | -91.2 | 112.9 | 172.5 | -61.9 | -69.5 | 0 | 0 | 0 | 109.1 | Y287 L291 L313 F315 H327 | Y287-F289 VanDerWaalsContact CB-CZ 3.41Å; Y287-F289 HydrophobicContact CD1-CZ 4.13Å; Y287-F289 HydrophobicContact CG-CE2 4.21Å; Y287-F289 AromaticContact CG-CZ 3.94Å; Y287-F289 HydrophobicContact CG-CZ 3.94Å; F289-L291 PolarHBondContact O-N 3.37Å; F289-L313 HydrophobicContact CE2-CD2 4.24Å; F289-L313 HydrophobicContact CZ-CD2 3.74Å; F289-F315 HydrophobicContact CD2-CE2 4.09Å; F289-F315 HydrophobicContact CE2-CD2 4.36Å; F289-F315 AromaticContact CE2-CE2 3.45Å; F289-F315 HydrophobicContact CE2-CE2 3.45Å; F289-F315 VanDerWaalsContact CE2-CE2 3.45Å; F289-F315 AromaticContact CE2-CZ 3.94Å; F289-F315 HydrophobicContact CE2-CZ 3.94Å; F289-F315 AromaticContact CZ-CE2 3.82Å; F289-F315 HydrophobicContact CZ-CE2 3.82Å; F289-H327 VanDerWaalsContact CB-NE2 3.34Å; F289-H327 WeakPolarHBondContact CB-NE2 3.37Å; F289-H327 AromaticContact CD1-CD2 3.7Å; F289-H327 AromaticContact CD1-NE2 3.01Å; F289-H327 WeakPolarHBondContact CD1-NE2 3.28Å; F289-H327 AromaticContact CE1-NE2 3.91Å; F289-H327 AromaticContact CG-CD2 3.74Å; F289-H327 AromaticContact CG-NE2 3.31Å; F289-H327 VanDerWaalsContact CG-NE2 3.31Å; F289-H327 WeakPolarHBondContact CG-NE2 3.31Å | ||
| 290 | N | 61 | Low | 59.4 | Low | 130 Ų | 130 | 97.1 Ų | 97.1 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | trans | -83 | 100.1 | 165.3 | -74.1 | -33.3 | 0 | 0 | 0 | 106.8 | K292 | N290-K292 PolarHBondContact O-N 2.85Å; N290-K292 VanDerWaalsContact O-N 3.15Å | ||
| 291 | L | 60.8 | Low | 59.5 | Low | 23 Ų | 23 | 100 Ų | 100 | 12% | 0.12 | 50% | 0.504 | C | S | . | . | trans | -58.1 | 119.4 | 170.9 | -62.7 | 173.5 | 0 | 0 | 0 | 107.3 | F289 H293 S294 I302 F325 H327 | F289-L291 PolarHBondContact O-N 3.37Å; L291-H293 PolarHBondContact O-N 2.88Å; L291-S294 PolarHBondContact O-N 2.88Å; L291-S294 PolarHBondContact O-OG 3.36Å; L291-I302 HydrophobicContact CD1-CD1 3.54Å; L291-I302 HydrophobicContact CD1-CG1 3.32Å; L291-F325 HydrophobicContact CD1-CE2 4.24Å; L291-F325 HydrophobicContact CD1-CZ 4.15Å; L291-F325 HydrophobicContact CD2-CE2 3.79Å; L291-F325 HydrophobicContact CD2-CZ 4.47Å; L291-F325 HydrophobicContact CG-CE2 4.49Å; L291-H327 HydrophobicContact CD2-CB 4.01Å; L291-H327 WeakPolarHBondContact CD2-ND1 3.18Å | ||
| 292 | K | 61.8 | Low | 60.2 | Low | 140 Ų | 140 | 97.4 Ų | 97.4 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -63.6 | -37.9 | 179.4 | -73.5 | 178.8 | 177.7 | 174 | 0 | 109.1 | N290 S294 K295 D332 | N290-K292 PolarHBondContact O-N 2.85Å; N290-K292 VanDerWaalsContact O-N 3.15Å; K292-S294 VanDerWaalsContact C-N 3.28Å; K292-S294 PolarHBondContact O-N 3.27Å; K292-K295 WeakPolarHBondContact O-CB 3.47Å; K292-K295 PolarHBondContact O-N 2.99Å; K292-D332 WeakPolarHBondContact CA-OD2 3.46Å; K292-D332 PolarHBondContact N-OD2 2.86Å |
| 293 | H | 58.5 | Low | 61.3 | Low | 45 Ų | 45 | 97.8 Ų | 97.8 | 21% | 0.208 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -56.2 | -37.7 | -179.6 | -159.1 | 62.1 | 0 | 0 | 0 | 113.6 | L291 K295 D296 Y297 E300 N323 D332 | L291-H293 PolarHBondContact O-N 2.88Å; H293-K295 PolarHBondContact O-N 2.91Å; H293-D296 PolarHBondContact O-N 3.34Å; H293-Y297 AromaticContact CE1-CE2 3.81Å; H293-E300 IonicContact CD2-OE1 3.84Å; H293-E300 IonicContact CD2-OE2 3.05Å; H293-E300 IonicContact NE2-OE1 3.03Å; H293-E300 IonicContact NE2-OE2 3.75Å; H293-E300 PolarHBondContact NE2-OE2 2.88Å; H293-N323 PolarHBondContact NE2-ND2 2.95Å; H293-D332 PolarHBondContact N-OD2 3.03Å; H293-D332 VanDerWaalsContact N-OD2 3.08Å |
| 294 | S | 55 | Low | 62.8 | Low | 54 Ų | 54 | 93.8 Ų | 93.8 | 38% | 0.378 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -73.5 | -13 | 179.7 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | L291 K292 | L291-S294 PolarHBondContact O-N 2.88Å; L291-S294 PolarHBondContact O-OG 3.36Å; K292-S294 VanDerWaalsContact C-N 3.28Å; K292-S294 PolarHBondContact O-N 3.27Å |
| 295 | K | 55.8 | Low | 64.3 | Low | 162 Ų | 162 | 94.8 Ų | 94.8 | 70% | 0.704 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -74.6 | -33.6 | 174.5 | -74.3 | -174 | 172.1 | -175.7 | 0 | 112 | K292 H293 | K292-K295 WeakPolarHBondContact O-CB 3.47Å; K292-K295 PolarHBondContact O-N 2.99Å; H293-K295 PolarHBondContact O-N 2.91Å |
| 296 | D | 59.2 | Low | 66.1 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -81.9 | -23.5 | -176.2 | -61 | -28.9 | 0 | 0 | 0 | 111.8 | H293 | H293-D296 PolarHBondContact O-N 3.34Å |
| 297 | Y | 60.7 | Low | 67.5 | Low | 132 Ų | 132 | 91.6 Ų | 91.6 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | trans | -127.3 | 90.6 | -178.7 | -57.5 | -77.7 | 0 | 0 | 0 | 111.5 | H293 H299 E300 | H293-Y297 AromaticContact CE1-CE2 3.81Å; Y297-H299 PolarHBondContact O-N 2.7Å; Y297-E300 PolarHBondContact O-N 2.88Å | ||
| 298 | S | 59.1 | Low | 68.9 | Low | 106 Ų | 106 | 86.1 Ų | 86.1 | 74% | 0.741 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.7 | -177.7 | 57.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 299 | H | 67.4 | Low | 70 | Confident | 152 Ų | 152 | 79.2 Ų | 79.2 | 70% | 0.704 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.1 | 179.2 | -61.9 | -66.9 | 0 | 0 | 0 | 113.6 | Y297 F321 | Y297-H299 PolarHBondContact O-N 2.7Å; H299-F321 HydrophobicContact CB-CE2 4.33Å; H299-F321 HydrophobicContact CB-CZ 4.2Å; H299-F321 WeakPolarHBondContact O-CE2 3.21Å |
| 300 | E | 73.2 | Confident | 70.9 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | trans | -86.8 | 128.2 | -178 | -171 | 165.6 | -174.7 | 0 | 0 | 110.8 | H293 Y297 S319 F321 N323 | H293-E300 IonicContact CD2-OE1 3.84Å; H293-E300 IonicContact CD2-OE2 3.05Å; H293-E300 IonicContact NE2-OE1 3.03Å; H293-E300 IonicContact NE2-OE2 3.75Å; H293-E300 PolarHBondContact NE2-OE2 2.88Å; Y297-E300 PolarHBondContact O-N 2.88Å; E300-S319 WeakPolarHBondContact OE1-CB 3.46Å; E300-S319 PolarHBondContact OE1-OG 2.89Å; E300-F321 HydrophobicContact CB-CD2 3.89Å; E300-F321 HydrophobicContact CB-CE2 4.15Å; E300-F321 HydrophobicContact CG-CB 4.46Å; E300-F321 HydrophobicContact CG-CD2 3.83Å; E300-F321 HydrophobicContact CG-CG 4.43Å; E300-N323 WeakPolarHBondContact OE1-CB 3.5Å; E300-N323 PolarHBondContact OE1-ND2 3.21Å | ||
| 301 | S | 74.2 | Confident | 71.8 | Confident | 62 Ų | 62 | 82 Ų | 82 | 43% | 0.434 | 43% | 0.431 | S | S | . | . | trans | -129.7 | 147.8 | -177 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | S319 N320 | S301-S319 CarbonylContact O-C 3.52Å; S301-S319 WeakPolarHBondContact O-CA 3.34Å; S301-N320 PolarHBondContact N-OD1 3.48Å; S301-N320 PolarHBondContact O-N 2.92Å; S301-N320 PolarHBondContact O-OD1 2.9Å; S301-N320 VanDerWaalsContact O-OD1 3.11Å; S301-N320 VanDerWaalsContact OG-CG 3.29Å; S301-N320 PolarHBondContact OG-OD1 2.87Å | ||
| 302 | I | 79.3 | Confident | 72.8 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.7 | 179 | -55.2 | -57 | 0 | 0 | 0 | 109.8 | L291 G304 V305 C317 A318 F325 | L291-I302 HydrophobicContact CD1-CD1 3.54Å; L291-I302 HydrophobicContact CD1-CG1 3.32Å; I302-G304 WeakPolarHBondContact CG2-O 3.42Å; I302-V305 HydrophobicContact CG2-CG2 3.62Å; I302-C317 HydrophobicContact CD1-CB 4.47Å; I302-C317 HydrophobicContact CG2-CB 4.49Å; I302-A318 CarbonylContact C-O 3.54Å; I302-A318 WeakPolarHBondContact CA-O 3.34Å; I302-A318 WeakPolarHBondContact CG2-O 3.47Å; I302-F325 HydrophobicContact CD1-CE1 4.05Å; I302-F325 HydrophobicContact CD1-CE2 4.5Å; I302-F325 HydrophobicContact CD1-CZ 3.5Å; I302-F325 VanDerWaalsContact CD1-CZ 3.5Å |
| 303 | V | 79 | Confident | 73.8 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 44% | 0.442 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -17.4 | -179 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | A318 N320 F344 | V303-A318 HydrophobicContact CG2-CB 4.36Å; V303-A318 WeakPolarHBondContact CG2-O 3.46Å; V303-A318 PolarHBondContact N-O 2.93Å; V303-N320 HydrophobicContact CG1-CB 3.71Å; V303-F344 HydrophobicContact CG2-CB 3.94Å |
| 304 | G | 81 | Confident | 75.2 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 13% | 0.134 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | I302 C317 A318 | I302-G304 WeakPolarHBondContact CG2-O 3.42Å; G304-C317 WeakPolarHBondContact O-CA 3.44Å; G304-A318 PolarHBondContact N-O 2.91Å; G304-A318 PolarHBondContact O-N 2.85Å |
| 305 | V | 85 | Confident | 76.8 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 128.8 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | I302 F315 L316 | I302-V305 HydrophobicContact CG2-CG2 3.62Å; V305-F315 HydrophobicContact CG1-CB 4.25Å; V305-F315 HydrophobicContact CG1-CD1 3.94Å; V305-F315 HydrophobicContact CG1-CG 4.4Å; V305-L316 CarbonylContact C-O 3.54Å; V305-L316 VanDerWaalsContact CA-O 3.26Å; V305-L316 WeakPolarHBondContact CA-O 3.32Å |
| 306 | H | 85.4 | Confident | 78.5 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 22% | 0.222 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.6 | 174 | -72.1 | -94.4 | 0 | 0 | 0 | 111.3 | L308 F315 L316 S346 | H306-L308 PolarHBondContact O-N 2.96Å; H306-F315 CarbonylContact O-C 3.58Å; H306-F315 WeakPolarHBondContact O-CA 3.03Å; H306-L316 HydrophobicContact CB-CB 4.24Å; H306-L316 PolarHBondContact N-O 2.82Å; H306-L316 PolarHBondContact O-N 3.12Å; H306-S346 PolarHBondContact CD2-OG 3.33Å; H306-S346 VanDerWaalsContact CD2-OG 3.23Å; H306-S346 PolarHBondContact CE1-OG 2.83Å; H306-S346 PolarHBondContact NE2-OG 2.86Å |
| 307 | L | 85.7 | Confident | 79.9 | Confident | 81 Ų | 81 | 66 Ų | 66 | 42% | 0.424 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.6 | 171.4 | -178.6 | 68 | 0 | 0 | 0 | 109.5 | S309 L313 F315 K348 | L307-S309 WeakPolarHBondContact CD1-O 3.33Å; L307-L313 HydrophobicContact CD1-CD1 3.71Å; L307-F315 HydrophobicContact CD1-CD1 4.13Å; L307-F315 HydrophobicContact CD1-CE1 3.7Å; L307-F315 HydrophobicContact CD1-CZ 4.17Å; L307-K348 VanDerWaalsContact O-CD 3.26Å; L307-K348 WeakPolarHBondContact O-CD 3.47Å; L307-K348 WeakPolarHBondContact O-CE 3.42Å; L307-K348 PolarHBondContact O-NZ 3.23Å |
| 308 | L | 86 | Confident | 81.2 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -56.1 | 177.3 | -69.3 | 177 | 0 | 0 | 0 | 111 | H306 S314 L316 I326 K348 V355 L367 | H306-L308 PolarHBondContact O-N 2.96Å; L308-S314 WeakPolarHBondContact CB-OG 3.36Å; L308-S314 PolarHBondContact N-O 2.91Å; L308-L316 HydrophobicContact CD1-CB 4.03Å; L308-L316 HydrophobicContact CD2-CB 4.07Å; L308-L316 HydrophobicContact CG-CB 4Å; L308-I326 HydrophobicContact CD1-CD1 4.01Å; L308-I326 HydrophobicContact CD1-CG1 3.99Å; L308-I326 HydrophobicContact CD1-CG2 4Å; L308-K348 PolarHBondContact O-NZ 3.23Å; L308-V355 HydrophobicContact CD2-CG2 3.49Å; L308-V355 VanDerWaalsContact CD2-CG2 3.49Å; L308-L367 HydrophobicContact CD2-CD2 4.43Å |
| 309 | S | 82.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 150.9 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 111 | L307 K311 P312 L313 S314 | L307-S309 WeakPolarHBondContact CD1-O 3.33Å; S309-K311 PolarHBondContact OG-N 3.35Å; S309-K311 PolarHBondContact OG-O 2.75Å; S309-P312 CarbonylContact C-O 3.56Å; S309-P312 VanDerWaalsContact CB-O 3.22Å; S309-P312 WeakPolarHBondContact CB-O 3.34Å; S309-P312 PolarHBondContact OG-O 2.76Å; S309-L313 CarbonylContact O-C 3.41Å; S309-L313 WeakPolarHBondContact O-CA 3.46Å; S309-S314 WeakPolarHBondContact CB-OG 3.38Å; S309-S314 PolarHBondContact N-O 3.43Å; S309-S314 PolarHBondContact N-OG 2.87Å; S309-S314 VanDerWaalsContact N-OG 3.17Å; S309-S314 PolarHBondContact O-N 3.09Å |
| 310 | S | 78 | Confident | 83.2 | Confident | 82 Ų | 82 | 50 Ų | 50 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -16.9 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 113 | P312 | S310-P312 CarbonylContact C-O 3.47Å |
| 311 | K | 79.7 | Confident | 83.8 | Confident | 186 Ų | 186 | 53.7 Ų | 53.7 | 81% | 0.809 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.5 | 95.6 | -177.3 | -65.4 | -173 | -177.1 | -179.6 | 0 | 110.4 | S309 | S309-K311 PolarHBondContact OG-N 3.35Å; S309-K311 PolarHBondContact OG-O 2.75Å |
| 312 | P | 81.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 66% | 0.656 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -67.8 | 160.9 | -7.7 | 31.3 | -35.2 | 0 | 0 | 0 | 111.8 | S309 S310 S314 | S309-P312 CarbonylContact C-O 3.56Å; S309-P312 VanDerWaalsContact CB-O 3.22Å; S309-P312 WeakPolarHBondContact CB-O 3.34Å; S309-P312 PolarHBondContact OG-O 2.76Å; S310-P312 CarbonylContact C-O 3.47Å; P312-S314 PolarHBondContact O-N 3.31Å |
| 313 | L | 84.2 | Confident | 85 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 29% | 0.293 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.8 | 177.9 | -165.4 | 75 | 0 | 0 | 0 | 109.7 | Y287 F289 L307 S309 F315 | Y287-L313 HydrophobicContact CD2-CD2 4.41Å; F289-L313 HydrophobicContact CE2-CD2 4.24Å; F289-L313 HydrophobicContact CZ-CD2 3.74Å; L307-L313 HydrophobicContact CD1-CD1 3.71Å; S309-L313 CarbonylContact O-C 3.41Å; S309-L313 WeakPolarHBondContact O-CA 3.46Å; L313-F315 HydrophobicContact CD1-CE2 4.49Å; L313-F315 HydrophobicContact CD1-CZ 4.1Å; L313-F315 HydrophobicContact CD2-CE2 3.7Å; L313-F315 HydrophobicContact CD2-CZ 3.75Å; L313-F315 HydrophobicContact CG-CE2 3.68Å; L313-F315 HydrophobicContact CG-CZ 3.76Å |
| 314 | S | 87.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 146.2 | 178.5 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | L308 S309 P312 H327 | L308-S314 WeakPolarHBondContact CB-OG 3.36Å; L308-S314 PolarHBondContact N-O 2.91Å; S309-S314 WeakPolarHBondContact CB-OG 3.38Å; S309-S314 PolarHBondContact N-O 3.43Å; S309-S314 PolarHBondContact N-OG 2.87Å; S309-S314 VanDerWaalsContact N-OG 3.17Å; S309-S314 PolarHBondContact O-N 3.09Å; P312-S314 PolarHBondContact O-N 3.31Å; S314-H327 CarbonylContact C-O 3.49Å; S314-H327 WeakPolarHBondContact CA-O 3.27Å |
| 315 | F | 88.3 | Confident | 86 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.8 | -175.9 | -57.6 | -86.4 | 0 | 0 | 0 | 111.1 | F289 V305 H306 L307 L313 I326 H327 | F289-F315 HydrophobicContact CD2-CE2 4.09Å; F289-F315 HydrophobicContact CE2-CD2 4.36Å; F289-F315 AromaticContact CE2-CE2 3.45Å; F289-F315 HydrophobicContact CE2-CE2 3.45Å; F289-F315 VanDerWaalsContact CE2-CE2 3.45Å; F289-F315 AromaticContact CE2-CZ 3.94Å; F289-F315 HydrophobicContact CE2-CZ 3.94Å; F289-F315 AromaticContact CZ-CE2 3.82Å; F289-F315 HydrophobicContact CZ-CE2 3.82Å; V305-F315 HydrophobicContact CG1-CB 4.25Å; V305-F315 HydrophobicContact CG1-CD1 3.94Å; V305-F315 HydrophobicContact CG1-CG 4.4Å; H306-F315 CarbonylContact O-C 3.58Å; H306-F315 WeakPolarHBondContact O-CA 3.03Å; L307-F315 HydrophobicContact CD1-CD1 4.13Å; L307-F315 HydrophobicContact CD1-CE1 3.7Å; L307-F315 HydrophobicContact CD1-CZ 4.17Å; L313-F315 HydrophobicContact CD1-CE2 4.49Å; L313-F315 HydrophobicContact CD1-CZ 4.1Å; L313-F315 HydrophobicContact CD2-CE2 3.7Å; L313-F315 HydrophobicContact CD2-CZ 3.75Å; L313-F315 HydrophobicContact CG-CE2 3.68Å; L313-F315 HydrophobicContact CG-CZ 3.76Å; F315-I326 CarbonylContact O-C 3.53Å; F315-I326 VanDerWaalsContact O-CA 3.24Å; F315-I326 WeakPolarHBondContact O-CA 3.37Å; F315-H327 HydrophobicContact CB-CB 4.45Å; F315-H327 PolarHBondContact N-O 2.88Å; F315-H327 PolarHBondContact O-N 2.84Å |
| 316 | L | 90.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 124.9 | 160.9 | -175.6 | 70.7 | 0 | 0 | 0 | 107.4 | V305 H306 L308 V324 I335 F344 V355 F357 L367 | V305-L316 CarbonylContact C-O 3.54Å; V305-L316 VanDerWaalsContact CA-O 3.26Å; V305-L316 WeakPolarHBondContact CA-O 3.32Å; H306-L316 HydrophobicContact CB-CB 4.24Å; H306-L316 PolarHBondContact N-O 2.82Å; H306-L316 PolarHBondContact O-N 3.12Å; L308-L316 HydrophobicContact CD1-CB 4.03Å; L308-L316 HydrophobicContact CD2-CB 4.07Å; L308-L316 HydrophobicContact CG-CB 4Å; L316-V324 HydrophobicContact CD1-CG1 3.47Å; L316-V324 VanDerWaalsContact CD1-CG1 3.47Å; L316-V324 HydrophobicContact CD2-CG1 4.38Å; L316-V324 HydrophobicContact CG-CG1 3.95Å; L316-I335 HydrophobicContact CD1-CD1 3.35Å; L316-F344 HydrophobicContact CD2-CZ 4.38Å; L316-V355 HydrophobicContact CD2-CB 4.41Å; L316-V355 HydrophobicContact CD2-CG1 3.74Å; L316-F357 HydrophobicContact CD2-CD1 4.13Å; L316-F357 HydrophobicContact CD2-CE1 4.29Å; L316-L367 HydrophobicContact CD1-CD2 3.65Å; L316-L367 HydrophobicContact CD2-CD2 4.27Å |
| 317 | C | 89.4 | Confident | 86.3 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.3 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 109.2 | I302 G304 V324 F325 | I302-C317 HydrophobicContact CD1-CB 4.47Å; I302-C317 HydrophobicContact CG2-CB 4.49Å; G304-C317 WeakPolarHBondContact O-CA 3.44Å; C317-V324 CarbonylContact O-C 3.53Å; C317-V324 VanDerWaalsContact O-CA 3.31Å; C317-V324 WeakPolarHBondContact O-CA 3.3Å; C317-F325 HydrophobicContact CB-CD2 3.78Å; C317-F325 HydrophobicContact CB-CE1 4.39Å; C317-F325 HydrophobicContact CB-CE2 3.36Å; C317-F325 HydrophobicContact CB-CG 4.45Å; C317-F325 HydrophobicContact CB-CZ 3.73Å; C317-F325 PolarHBondContact N-O 2.82Å; C317-F325 PolarHBondContact O-N 2.94Å |
| 318 | A | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I302 V303 G304 N323 V324 F344 | I302-A318 CarbonylContact C-O 3.54Å; I302-A318 WeakPolarHBondContact CA-O 3.34Å; I302-A318 WeakPolarHBondContact CG2-O 3.47Å; V303-A318 HydrophobicContact CG2-CB 4.36Å; V303-A318 WeakPolarHBondContact CG2-O 3.46Å; V303-A318 PolarHBondContact N-O 2.93Å; G304-A318 PolarHBondContact N-O 2.91Å; G304-A318 PolarHBondContact O-N 2.85Å; A318-N323 CarbonylContact C-O 3.56Å; A318-N323 WeakPolarHBondContact CA-O 3.28Å; A318-V324 HydrophobicContact CB-CG2 4.02Å; A318-F344 HydrophobicContact CB-CB 4.09Å; A318-F344 HydrophobicContact CB-CD1 3.53Å; A318-F344 HydrophobicContact CB-CD2 3.44Å; A318-F344 VanDerWaalsContact CB-CD2 3.44Å; A318-F344 HydrophobicContact CB-CE1 3.63Å; A318-F344 HydrophobicContact CB-CE2 3.57Å; A318-F344 HydrophobicContact CB-CG 3.41Å; A318-F344 VanDerWaalsContact CB-CG 3.41Å; A318-F344 HydrophobicContact CB-CZ 3.67Å |
| 319 | S | 86.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 160.6 | -179.6 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | E300 S301 F321 G322 N323 | E300-S319 WeakPolarHBondContact OE1-CB 3.46Å; E300-S319 PolarHBondContact OE1-OG 2.89Å; S301-S319 CarbonylContact O-C 3.52Å; S301-S319 WeakPolarHBondContact O-CA 3.34Å; S319-F321 PolarHBondContact O-N 3.04Å; S319-F321 VanDerWaalsContact O-N 3.11Å; S319-F321 PolarHBondContact OG-N 2.83Å; S319-G322 PolarHBondContact O-N 3.02Å; S319-N323 PolarHBondContact N-O 2.89Å; S319-N323 WeakPolarHBondContact OG-CB 3.49Å; S319-N323 PolarHBondContact OG-N 2.86Å |
| 320 | N | 81.5 | Confident | 86 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -3.5 | 172.7 | 68 | -42.1 | 0 | 0 | 0 | 114.1 | S301 V303 K342 | S301-N320 PolarHBondContact N-OD1 3.48Å; S301-N320 PolarHBondContact O-N 2.92Å; S301-N320 PolarHBondContact O-OD1 2.9Å; S301-N320 VanDerWaalsContact O-OD1 3.11Å; S301-N320 VanDerWaalsContact OG-CG 3.29Å; S301-N320 PolarHBondContact OG-OD1 2.87Å; V303-N320 HydrophobicContact CG1-CB 3.71Å; N320-K342 VanDerWaalsContact O-CG 3.31Å; N320-K342 WeakPolarHBondContact O-CG 3.15Å |
| 321 | F | 84.2 | Confident | 86.2 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.8 | 171.5 | -79.9 | -104.2 | 0 | 0 | 0 | 112.5 | H299 E300 S319 | H299-F321 HydrophobicContact CB-CE2 4.33Å; H299-F321 HydrophobicContact CB-CZ 4.2Å; H299-F321 WeakPolarHBondContact O-CE2 3.21Å; E300-F321 HydrophobicContact CB-CD2 3.89Å; E300-F321 HydrophobicContact CB-CE2 4.15Å; E300-F321 HydrophobicContact CG-CB 4.46Å; E300-F321 HydrophobicContact CG-CD2 3.83Å; E300-F321 HydrophobicContact CG-CG 4.43Å; S319-F321 PolarHBondContact O-N 3.04Å; S319-F321 VanDerWaalsContact O-N 3.11Å; S319-F321 PolarHBondContact OG-N 2.83Å |
| 322 | G | 87.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 90.2 | 15.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S319 D338 | S319-G322 PolarHBondContact O-N 3.02Å; G322-D338 VanDerWaalsContact CA-O 3.23Å; G322-D338 WeakPolarHBondContact CA-O 3.47Å; G322-D338 PolarHBondContact O-N 3.15Å |
| 323 | N | 91 | Very high | 86.9 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.8 | 171 | -63.1 | -37.1 | 0 | 0 | 0 | 109.5 | H293 E300 A318 S319 L334 S337 | H293-N323 PolarHBondContact NE2-ND2 2.95Å; E300-N323 WeakPolarHBondContact OE1-CB 3.5Å; E300-N323 PolarHBondContact OE1-ND2 3.21Å; A318-N323 CarbonylContact C-O 3.56Å; A318-N323 WeakPolarHBondContact CA-O 3.28Å; S319-N323 PolarHBondContact N-O 2.89Å; S319-N323 WeakPolarHBondContact OG-CB 3.49Å; S319-N323 PolarHBondContact OG-N 2.86Å; N323-L334 HydrophobicContact CB-CD1 3.97Å; N323-S337 VanDerWaalsContact OD1-CB 3.28Å; N323-S337 WeakPolarHBondContact OD1-CB 3.49Å; N323-S337 PolarHBondContact OD1-OG 3.46Å |
| 324 | V | 92 | Very high | 87.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.7 | 175.8 | -176.7 | 0 | 0 | 0 | 0 | 109 | L316 C317 A318 I335 V336 L341 F344 F357 | L316-V324 HydrophobicContact CD1-CG1 3.47Å; L316-V324 VanDerWaalsContact CD1-CG1 3.47Å; L316-V324 HydrophobicContact CD2-CG1 4.38Å; L316-V324 HydrophobicContact CG-CG1 3.95Å; C317-V324 CarbonylContact O-C 3.53Å; C317-V324 VanDerWaalsContact O-CA 3.31Å; C317-V324 WeakPolarHBondContact O-CA 3.3Å; A318-V324 HydrophobicContact CB-CG2 4.02Å; V324-I335 WeakPolarHBondContact O-CA 3.24Å; V324-I335 WeakPolarHBondContact O-CB 3.39Å; V324-I335 PolarHBondContact O-N 3.31Å; V324-V336 HydrophobicContact CB-CG1 3.71Å; V324-V336 HydrophobicContact CG2-CG1 4Å; V324-V336 PolarHBondContact N-O 2.69Å; V324-V336 PolarHBondContact O-N 3.31Å; V324-L341 HydrophobicContact CG2-CD1 3.72Å; V324-F344 HydrophobicContact CG1-CE2 4.46Å; V324-F344 HydrophobicContact CG2-CD2 4.18Å; V324-F344 HydrophobicContact CG2-CE2 3.81Å; V324-F357 HydrophobicContact CG1-CE2 4.45Å; V324-F357 HydrophobicContact CG1-CZ 4.23Å; V324-F357 HydrophobicContact CG2-CE2 4.29Å |
| 325 | F | 89.7 | Confident | 87.3 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 155.1 | -174.9 | 50.4 | -91.9 | 0 | 0 | 0 | 112.4 | L291 I302 C317 D332 R333 L334 | L291-F325 HydrophobicContact CD1-CE2 4.24Å; L291-F325 HydrophobicContact CD1-CZ 4.15Å; L291-F325 HydrophobicContact CD2-CE2 3.79Å; L291-F325 HydrophobicContact CD2-CZ 4.47Å; L291-F325 HydrophobicContact CG-CE2 4.49Å; I302-F325 HydrophobicContact CD1-CE1 4.05Å; I302-F325 HydrophobicContact CD1-CE2 4.5Å; I302-F325 HydrophobicContact CD1-CZ 3.5Å; I302-F325 VanDerWaalsContact CD1-CZ 3.5Å; C317-F325 HydrophobicContact CB-CD2 3.78Å; C317-F325 HydrophobicContact CB-CE1 4.39Å; C317-F325 HydrophobicContact CB-CE2 3.36Å; C317-F325 HydrophobicContact CB-CG 4.45Å; C317-F325 HydrophobicContact CB-CZ 3.73Å; C317-F325 PolarHBondContact N-O 2.82Å; C317-F325 PolarHBondContact O-N 2.94Å; F325-D332 HydrophobicContact CD2-CB 4.27Å; F325-R333 CarbonylContact C-O 3.56Å; F325-R333 WeakPolarHBondContact CA-O 3.41Å; F325-R333 VanDerWaalsContact CB-O 3.26Å; F325-R333 WeakPolarHBondContact CB-O 3.44Å; F325-L334 HydrophobicContact CB-CD1 4.49Å |
| 326 | I | 90.6 | Very high | 87.6 | Confident | 19 Ų | 19 | 38.5 Ų | 38.5 | 10% | 0.097 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.4 | 167.5 | -55.7 | -171.5 | 0 | 0 | 0 | 108 | L308 F315 D332 R333 I335 | L308-I326 HydrophobicContact CD1-CD1 4.01Å; L308-I326 HydrophobicContact CD1-CG1 3.99Å; L308-I326 HydrophobicContact CD1-CG2 4Å; F315-I326 CarbonylContact O-C 3.53Å; F315-I326 VanDerWaalsContact O-CA 3.24Å; F315-I326 WeakPolarHBondContact O-CA 3.37Å; I326-D332 CarbonylContact O-C 3.56Å; I326-D332 WeakPolarHBondContact O-CA 3.43Å; I326-R333 HydrophobicContact CB-CB 4.47Å; I326-R333 PolarHBondContact N-O 3.4Å; I326-R333 PolarHBondContact O-N 2.97Å; I326-I335 HydrophobicContact CD1-CD1 3.88Å; I326-I335 HydrophobicContact CD1-CG1 4.35Å; I326-I335 HydrophobicContact CG1-CD1 3.26Å; I326-I335 HydrophobicContact CG1-CG1 3.72Å |
| 327 | H | 87 | Confident | 87.7 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 6% | 0.06 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125 | 170.6 | -178.1 | 73.2 | 0 | 0 | 0 | 110.3 | F289 L291 S314 F315 D332 | F289-H327 VanDerWaalsContact CB-NE2 3.34Å; F289-H327 WeakPolarHBondContact CB-NE2 3.37Å; F289-H327 AromaticContact CD1-CD2 3.7Å; F289-H327 AromaticContact CD1-NE2 3.01Å; F289-H327 WeakPolarHBondContact CD1-NE2 3.28Å; F289-H327 AromaticContact CE1-NE2 3.91Å; F289-H327 AromaticContact CG-CD2 3.74Å; F289-H327 AromaticContact CG-NE2 3.31Å; F289-H327 VanDerWaalsContact CG-NE2 3.31Å; F289-H327 WeakPolarHBondContact CG-NE2 3.31Å; L291-H327 HydrophobicContact CD2-CB 4.01Å; L291-H327 WeakPolarHBondContact CD2-ND1 3.18Å; S314-H327 CarbonylContact C-O 3.49Å; S314-H327 WeakPolarHBondContact CA-O 3.27Å; F315-H327 HydrophobicContact CB-CB 4.45Å; F315-H327 PolarHBondContact N-O 2.88Å; F315-H327 PolarHBondContact O-N 2.84Å; H327-D332 IonicContact CE1-OD1 3.26Å; H327-D332 IonicContact CG-OD1 2.69Å; H327-D332 IonicContact ND1-OD1 3.71Å; H327-D332 PolarHBondContact ND1-OD1 2.83Å |
| 328 | D | 85.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | -171 | 171.5 | 65.6 | 32 | 0 | 0 | 0 | 111.1 | S330 G331 | D328-S330 PolarHBondContact O-N 3.19Å; D328-S330 WeakPolarHBondContact OD1-CA 3.45Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.42Å; D328-S330 PolarHBondContact OD1-N 2.73Å; D328-S330 PolarHBondContact OD1-OG 2.9Å; D328-G331 PolarHBondContact N-O 2.87Å; D328-G331 VanDerWaalsContact N-O 3.09Å; D328-G331 PolarHBondContact O-N 3.19Å; D328-G331 VanDerWaalsContact O-N 3.11Å; D328-G331 PolarHBondContact OD1-N 2.81Å |
| 329 | A | 80.8 | Confident | 87.8 | Confident | 108 Ų | 108 | 49.7 Ų | 49.7 | 89% | 0.893 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 330 | S | 81.7 | Confident | 88.1 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 76% | 0.755 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -23.6 | 177 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | D328 | D328-S330 PolarHBondContact O-N 3.19Å; D328-S330 WeakPolarHBondContact OD1-CA 3.45Å; D328-S330 VanDerWaalsContact OD1-CB 3.25Å; D328-S330 WeakPolarHBondContact OD1-CB 3.42Å; D328-S330 PolarHBondContact OD1-N 2.73Å; D328-S330 PolarHBondContact OD1-OG 2.9Å |
| 331 | G | 82.5 | Confident | 88.5 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | -156.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | D328 | D328-G331 PolarHBondContact N-O 2.87Å; D328-G331 VanDerWaalsContact N-O 3.09Å; D328-G331 PolarHBondContact O-N 3.19Å; D328-G331 VanDerWaalsContact O-N 3.11Å; D328-G331 PolarHBondContact OD1-N 2.81Å |
| 332 | D | 85.6 | Confident | 88.4 | Confident | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.8 | 179.7 | -58.1 | -32.2 | 0 | 0 | 0 | 109.9 | K292 H293 F325 I326 H327 | K292-D332 WeakPolarHBondContact CA-OD2 3.46Å; K292-D332 PolarHBondContact N-OD2 2.86Å; H293-D332 PolarHBondContact N-OD2 3.03Å; H293-D332 VanDerWaalsContact N-OD2 3.08Å; F325-D332 HydrophobicContact CD2-CB 4.27Å; I326-D332 CarbonylContact O-C 3.56Å; I326-D332 WeakPolarHBondContact O-CA 3.43Å; H327-D332 IonicContact CE1-OD1 3.26Å; H327-D332 IonicContact CG-OD1 2.69Å; H327-D332 IonicContact ND1-OD1 3.71Å; H327-D332 PolarHBondContact ND1-OD1 2.83Å |
| 333 | R | 88.5 | Confident | 88 | Confident | 128 Ų | 128 | 52.9 Ų | 52.9 | 48% | 0.483 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 106.3 | 173.9 | -172.1 | -173.3 | 81.1 | 121.8 | 1.9 | 110.3 | F325 I326 I335 G370 | F325-R333 CarbonylContact C-O 3.56Å; F325-R333 WeakPolarHBondContact CA-O 3.41Å; F325-R333 VanDerWaalsContact CB-O 3.26Å; F325-R333 WeakPolarHBondContact CB-O 3.44Å; I326-R333 HydrophobicContact CB-CB 4.47Å; I326-R333 PolarHBondContact N-O 3.4Å; I326-R333 PolarHBondContact O-N 2.97Å; R333-I335 PolarHBondContact O-N 2.58Å; R333-G370 PolarHBondContact NH2-O 2.91Å |
| 334 | L | 89.5 | Confident | 87.7 | Confident | 96 Ų | 96 | 53.2 Ų | 53.2 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 128.3 | 174.1 | -170.9 | 69 | 0 | 0 | 0 | 110.9 | N323 F325 | N323-L334 HydrophobicContact CB-CD1 3.97Å; F325-L334 HydrophobicContact CB-CD1 4.49Å |
| 335 | I | 91.6 | Very high | 87.5 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -46.2 | 177.4 | -52 | 173.8 | 0 | 0 | 0 | 110 | L316 V324 I326 R333 L367 L372 | L316-I335 HydrophobicContact CD1-CD1 3.35Å; V324-I335 WeakPolarHBondContact O-CA 3.24Å; V324-I335 WeakPolarHBondContact O-CB 3.39Å; V324-I335 PolarHBondContact O-N 3.31Å; I326-I335 HydrophobicContact CD1-CD1 3.88Å; I326-I335 HydrophobicContact CD1-CG1 4.35Å; I326-I335 HydrophobicContact CG1-CD1 3.26Å; I326-I335 HydrophobicContact CG1-CG1 3.72Å; R333-I335 PolarHBondContact O-N 2.58Å; I335-L367 HydrophobicContact CD1-CD1 4.14Å; I335-L367 HydrophobicContact CD1-CD2 3.67Å; I335-L367 HydrophobicContact CG2-CD1 4.24Å; I335-L372 HydrophobicContact CG2-CB 3.85Å; I335-L372 HydrophobicContact CG2-CD1 3.95Å; I335-L372 HydrophobicContact CG2-CD2 4.16Å; I335-L372 HydrophobicContact CG2-CG 4.21Å |
| 336 | V | 93.8 | Very high | 87.7 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 146.5 | 179.7 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | V324 D338 L341 F357 L372 | V324-V336 HydrophobicContact CB-CG1 3.71Å; V324-V336 HydrophobicContact CG2-CG1 4Å; V324-V336 PolarHBondContact N-O 2.69Å; V324-V336 PolarHBondContact O-N 3.31Å; V336-D338 HydrophobicContact CG2-CB 4.16Å; V336-L341 HydrophobicContact CG1-CD1 3.87Å; V336-F357 HydrophobicContact CG1-CE2 4.05Å; V336-F357 HydrophobicContact CG1-CZ 4.18Å; V336-L372 HydrophobicContact CB-CD2 3.72Å; V336-L372 HydrophobicContact CG1-CD2 4.24Å; V336-L372 HydrophobicContact CG2-CD2 4.19Å |
| 337 | S | 92.3 | Very high | 87.7 | Confident | 80 Ų | 80 | 55.6 Ų | 55.6 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 106.7 | 167.8 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | N323 | N323-S337 VanDerWaalsContact OD1-CB 3.28Å; N323-S337 WeakPolarHBondContact OD1-CB 3.49Å; N323-S337 PolarHBondContact OD1-OG 3.46Å |
| 338 | D | 92.1 | Very high | 87.9 | Confident | 25 Ų | 25 | 58 Ų | 58 | 13% | 0.134 | 32% | 0.324 | C | S | . | . | trans | -138.4 | 120.4 | 179.9 | 176.8 | 6 | 0 | 0 | 0 | 109.2 | G322 V336 N340 L341 Y365 | G322-D338 VanDerWaalsContact CA-O 3.23Å; G322-D338 WeakPolarHBondContact CA-O 3.47Å; G322-D338 PolarHBondContact O-N 3.15Å; V336-D338 HydrophobicContact CG2-CB 4.16Å; D338-N340 PolarHBondContact O-N 2.9Å; D338-N340 VanDerWaalsContact O-N 3.07Å; D338-N340 WeakPolarHBondContact OD1-CB 3.31Å; D338-N340 PolarHBondContact OD1-N 2.95Å; D338-N340 PolarHBondContact OD1-ND2 3.1Å; D338-L341 HydrophobicContact CB-CD1 4.07Å; D338-L341 HydrophobicContact CB-CG 4.09Å; D338-L341 WeakPolarHBondContact O-CB 3.4Å; D338-L341 PolarHBondContact O-N 3.16Å; D338-Y365 PolarHBondContact OD2-OH 3.38Å; D338-Y365 VanDerWaalsContact OD2-OH 3.13Å | ||
| 339 | Q | 90.1 | Very high | 88 | Confident | 138 Ų | 138 | 55.8 Ų | 55.8 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -61 | -19.6 | 179.5 | -62.2 | -163.9 | 25.9 | 0 | 0 | 113.5 | L341 K342 | Q339-L341 PolarHBondContact O-N 3.49Å; Q339-K342 WeakPolarHBondContact O-CD 3.31Å; Q339-K342 WeakPolarHBondContact O-CG 3.25Å; Q339-K342 PolarHBondContact O-N 2.94Å |
| 340 | N | 91.7 | Very high | 87.7 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 24% | 0.235 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -69.8 | -20.8 | 173.9 | -62.4 | -52.2 | 0 | 0 | 0 | 112.4 | D338 K342 L360 N361 A363 | D338-N340 PolarHBondContact O-N 2.9Å; D338-N340 VanDerWaalsContact O-N 3.07Å; D338-N340 WeakPolarHBondContact OD1-CB 3.31Å; D338-N340 PolarHBondContact OD1-N 2.95Å; D338-N340 PolarHBondContact OD1-ND2 3.1Å; N340-K342 VanDerWaalsContact C-N 3.27Å; N340-K342 PolarHBondContact O-N 3.34Å; N340-L360 HydrophobicContact CB-CB 4.12Å; N340-L360 WeakPolarHBondContact CB-O 3.5Å; N340-L360 WeakPolarHBondContact O-CB 3.27Å; N340-L360 PolarHBondContact O-N 2.93Å; N340-N361 PolarHBondContact OD1-ND2 3.39Å; N340-A363 HydrophobicContact CB-CB 3.6Å |
| 341 | L | 90.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -85.2 | 7.4 | 178.1 | -60.1 | 178 | 0 | 0 | 0 | 113.6 | V324 V336 D338 Q339 L343 F344 F357 A363 Y365 | V324-L341 HydrophobicContact CG2-CD1 3.72Å; V336-L341 HydrophobicContact CG1-CD1 3.87Å; D338-L341 HydrophobicContact CB-CD1 4.07Å; D338-L341 HydrophobicContact CB-CG 4.09Å; D338-L341 WeakPolarHBondContact O-CB 3.4Å; D338-L341 PolarHBondContact O-N 3.16Å; Q339-L341 PolarHBondContact O-N 3.49Å; L341-L343 PolarHBondContact O-N 3.44Å; L341-F344 PolarHBondContact O-N 3.15Å; L341-F357 HydrophobicContact CD1-CD2 4.21Å; L341-F357 HydrophobicContact CD1-CE2 3.87Å; L341-F357 HydrophobicContact CD2-CD2 4.23Å; L341-A363 HydrophobicContact CD2-CB 4.42Å; L341-Y365 HydrophobicContact CD1-CD2 4.13Å; L341-Y365 HydrophobicContact CD1-CE2 3.95Å; L341-Y365 HydrophobicContact CD2-CD2 4.21Å; L341-Y365 HydrophobicContact CD2-CE2 4.19Å; L341-Y365 HydrophobicContact CG-CE2 4.29Å |
| 342 | K | 82.5 | Confident | 87.1 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.2 | -30.5 | 170.4 | -69.9 | 176 | 179.5 | 170.1 | 0 | 112.4 | N320 Q339 N340 | N320-K342 VanDerWaalsContact O-CG 3.31Å; N320-K342 WeakPolarHBondContact O-CG 3.15Å; Q339-K342 WeakPolarHBondContact O-CD 3.31Å; Q339-K342 WeakPolarHBondContact O-CG 3.25Å; Q339-K342 PolarHBondContact O-N 2.94Å; N340-K342 VanDerWaalsContact C-N 3.27Å; N340-K342 PolarHBondContact O-N 3.34Å |
| 343 | L | 79.1 | Confident | 87 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -106.3 | 92.9 | 166.2 | -75.9 | 169.3 | 0 | 0 | 0 | 108.2 | L341 G359 L360 K384 | L341-L343 PolarHBondContact O-N 3.44Å; L343-G359 WeakPolarHBondContact O-CA 3.41Å; L343-L360 HydrophobicContact CB-CD2 4.48Å; L343-L360 HydrophobicContact CB-CG 4.23Å; L343-L360 HydrophobicContact CD1-CD1 4.2Å; L343-L360 HydrophobicContact CD1-CD2 3.69Å; L343-L360 HydrophobicContact CD1-CG 4.1Å; L343-K384 HydrophobicContact CD1-CD 4.2Å |
| 344 | F | 84.3 | Confident | 87.3 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -91.6 | 126.4 | -173.3 | -174.2 | -100.5 | 0 | 0 | 0 | 111.5 | V303 L316 A318 V324 L341 S346 F357 | V303-F344 HydrophobicContact CG2-CB 3.94Å; L316-F344 HydrophobicContact CD2-CZ 4.38Å; A318-F344 HydrophobicContact CB-CB 4.09Å; A318-F344 HydrophobicContact CB-CD1 3.53Å; A318-F344 HydrophobicContact CB-CD2 3.44Å; A318-F344 VanDerWaalsContact CB-CD2 3.44Å; A318-F344 HydrophobicContact CB-CE1 3.63Å; A318-F344 HydrophobicContact CB-CE2 3.57Å; A318-F344 HydrophobicContact CB-CG 3.41Å; A318-F344 VanDerWaalsContact CB-CG 3.41Å; A318-F344 HydrophobicContact CB-CZ 3.67Å; V324-F344 HydrophobicContact CG1-CE2 4.46Å; V324-F344 HydrophobicContact CG2-CD2 4.18Å; V324-F344 HydrophobicContact CG2-CE2 3.81Å; L341-F344 PolarHBondContact O-N 3.15Å; F344-S346 WeakPolarHBondContact CE1-OG 3.42Å; F344-F357 HydrophobicContact CD2-CB 4.48Å; F344-F357 HydrophobicContact CD2-CD2 4.42Å; F344-F357 HydrophobicContact CE2-CB 3.59Å; F344-F357 AromaticContact CE2-CD2 3.58Å; F344-F357 HydrophobicContact CE2-CD2 3.58Å; F344-F357 HydrophobicContact CE2-CE2 4.36Å; F344-F357 AromaticContact CE2-CG 3.7Å; F344-F357 HydrophobicContact CE2-CG 3.7Å; F344-F357 HydrophobicContact CZ-CB 3.64Å; F344-F357 HydrophobicContact CZ-CD2 4.33Å; F344-F357 AromaticContact CZ-CG 3.99Å; F344-F357 HydrophobicContact CZ-CG 3.99Å | ||
| 345 | V | 89.7 | Confident | 87.5 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 146.3 | 166 | -63.8 | 0 | 0 | 0 | 0 | 109.3 | F357 G358 I385 L388 | V345-F357 CarbonylContact O-C 3.57Å; V345-F357 WeakPolarHBondContact O-CA 3.19Å; V345-F357 WeakPolarHBondContact O-CB 3.46Å; V345-G358 PolarHBondContact N-O 3.19Å; V345-G358 PolarHBondContact O-N 3.06Å; V345-I385 HydrophobicContact CG2-CB 3.94Å; V345-I385 HydrophobicContact CG2-CG2 3.55Å; V345-L388 HydrophobicContact CG2-CB 4.41Å |
| 346 | S | 92.5 | Very high | 87.7 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 159.5 | -177.3 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | H306 F344 A356 F357 | H306-S346 PolarHBondContact CD2-OG 3.33Å; H306-S346 VanDerWaalsContact CD2-OG 3.23Å; H306-S346 PolarHBondContact CE1-OG 2.83Å; H306-S346 PolarHBondContact NE2-OG 2.86Å; F344-S346 WeakPolarHBondContact CE1-OG 3.42Å; S346-A356 CarbonylContact C-O 3.53Å; S346-A356 WeakPolarHBondContact CA-O 3.43Å; S346-A356 WeakPolarHBondContact CB-O 3.45Å; S346-F357 VanDerWaalsContact CB-CB 3.5Å |
| 347 | C | 91.7 | Very high | 87.8 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 14% | 0.135 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 144.8 | 177.9 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | A356 L388 L390 F397 | C347-A356 PolarHBondContact N-O 3.19Å; C347-A356 PolarHBondContact O-N 2.88Å; C347-L388 HydrophobicContact CB-CB 4.5Å; C347-L388 HydrophobicContact CB-CD2 4.17Å; C347-L388 HydrophobicContact CB-CG 4.03Å; C347-L390 PolarHBondContact SG-N 2.91Å; C347-F397 HydrophobicContact CB-CD1 4.25Å; C347-F397 HydrophobicContact CB-CE1 4.02Å |
| 348 | K | 89.7 | Confident | 87.9 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.9 | -178.4 | 177 | 179.2 | -176.9 | -166.9 | 0 | 110.7 | L307 L308 L354 V355 | L307-K348 VanDerWaalsContact O-CD 3.26Å; L307-K348 WeakPolarHBondContact O-CD 3.47Å; L307-K348 WeakPolarHBondContact O-CE 3.42Å; L307-K348 PolarHBondContact O-NZ 3.23Å; L308-K348 PolarHBondContact O-NZ 3.23Å; K348-L354 CarbonylContact C-O 3.48Å; K348-L354 WeakPolarHBondContact CA-O 3.28Å; K348-V355 HydrophobicContact CB-CG2 4.28Å; K348-V355 HydrophobicContact CD-CG2 4.44Å; K348-V355 HydrophobicContact CG-CG2 4.08Å |
| 349 | S | 88.3 | Confident | 87.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | trans | -69.6 | 130 | 167.1 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | N351 D352 G353 L354 N395 | S349-N351 VanDerWaalsContact C-N 3.34Å; S349-D352 VanDerWaalsContact CB-OD1 3.22Å; S349-D352 WeakPolarHBondContact CB-OD1 3.14Å; S349-D352 PolarHBondContact OG-OD1 2.88Å; S349-D352 VanDerWaalsContact OG-OD1 3.11Å; S349-G353 PolarHBondContact O-N 3.33Å; S349-L354 WeakPolarHBondContact CB-O 3.31Å; S349-L354 PolarHBondContact N-O 2.75Å; S349-N395 WeakPolarHBondContact CB-OD1 3.5Å; S349-N395 PolarHBondContact OG-OD1 3.26Å | ||
| 350 | V | 74.3 | Confident | 88 | Confident | 124 Ų | 124 | 34.8 Ų | 34.8 | 75% | 0.752 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -33.4 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 351 | N | 72.7 | Confident | 88.1 | Confident | 118 Ų | 118 | 37.8 Ų | 37.8 | 63% | 0.631 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -39.1 | -165.6 | -70 | -21.2 | 0 | 0 | 0 | 114.2 | S349 S393 | S349-N351 VanDerWaalsContact C-N 3.34Å; N351-S393 WeakPolarHBondContact ND2-CB 3.25Å |
| 352 | D | 80.1 | Confident | 88 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 21% | 0.214 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -2.5 | -170.6 | 67.6 | -0.1 | 0 | 0 | 0 | 113.9 | S349 L354 Y368 N395 K414 | S349-D352 VanDerWaalsContact CB-OD1 3.22Å; S349-D352 WeakPolarHBondContact CB-OD1 3.14Å; S349-D352 PolarHBondContact OG-OD1 2.88Å; S349-D352 VanDerWaalsContact OG-OD1 3.11Å; D352-L354 VanDerWaalsContact C-N 3.28Å; D352-L354 PolarHBondContact O-N 2.87Å; D352-L354 VanDerWaalsContact OD1-CB 3.29Å; D352-L354 WeakPolarHBondContact OD1-CB 3.48Å; D352-L354 PolarHBondContact OD1-N 3.41Å; D352-Y368 HydrophobicContact CB-CE2 4.12Å; D352-Y368 VanDerWaalsContact O-CE2 3.31Å; D352-Y368 WeakPolarHBondContact O-CE2 3.45Å; D352-N395 PolarHBondContact OD2-ND2 3.07Å; D352-K414 WeakPolarHBondContact OD2-CE 3.14Å; D352-K414 IonicContact OD2-NZ 3.62Å; D352-K414 PolarHBondContact OD2-NZ 3.3Å |
| 353 | G | 83.3 | Confident | 88.6 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | trans | 75.7 | 11.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S349 V355 | S349-G353 PolarHBondContact O-N 3.33Å; G353-V355 PolarHBondContact O-N 2.76Å | ||
| 354 | L | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -58.1 | 131.5 | 168.1 | 176.5 | 68.3 | 0 | 0 | 0 | 109.9 | K348 S349 D352 L366 Y368 N395 F397 C411 K414 | K348-L354 CarbonylContact C-O 3.48Å; K348-L354 WeakPolarHBondContact CA-O 3.28Å; S349-L354 WeakPolarHBondContact CB-O 3.31Å; S349-L354 PolarHBondContact N-O 2.75Å; D352-L354 VanDerWaalsContact C-N 3.28Å; D352-L354 PolarHBondContact O-N 2.87Å; D352-L354 VanDerWaalsContact OD1-CB 3.29Å; D352-L354 WeakPolarHBondContact OD1-CB 3.48Å; D352-L354 PolarHBondContact OD1-N 3.41Å; L354-L366 HydrophobicContact CD1-CB 4.16Å; L354-L366 HydrophobicContact CD1-CD2 4.41Å; L354-Y368 HydrophobicContact CB-CD2 4.24Å; L354-N395 HydrophobicContact CD2-CB 3.74Å; L354-F397 HydrophobicContact CD2-CE2 3.86Å; L354-F397 HydrophobicContact CD2-CZ 4.24Å; L354-C411 HydrophobicContact CD2-CB 4.46Å; L354-K414 HydrophobicContact CD1-CB 4.3Å | ||
| 355 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.5 | 172.2 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | L308 L316 K348 G353 F357 L367 | L308-V355 HydrophobicContact CD2-CG2 3.49Å; L308-V355 VanDerWaalsContact CD2-CG2 3.49Å; L316-V355 HydrophobicContact CD2-CB 4.41Å; L316-V355 HydrophobicContact CD2-CG1 3.74Å; K348-V355 HydrophobicContact CB-CG2 4.28Å; K348-V355 HydrophobicContact CD-CG2 4.44Å; K348-V355 HydrophobicContact CG-CG2 4.08Å; G353-V355 PolarHBondContact O-N 2.76Å; V355-F357 HydrophobicContact CG1-CD1 4.36Å; V355-L367 HydrophobicContact CB-CB 4.37Å; V355-L367 PolarHBondContact N-O 3.19Å; V355-L367 PolarHBondContact O-N 3.07Å |
| 356 | A | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S346 C347 F364 Y365 L366 L388 F397 | S346-A356 CarbonylContact C-O 3.53Å; S346-A356 WeakPolarHBondContact CA-O 3.43Å; S346-A356 WeakPolarHBondContact CB-O 3.45Å; C347-A356 PolarHBondContact N-O 3.19Å; C347-A356 PolarHBondContact O-N 2.88Å; A356-F364 HydrophobicContact CB-CE2 4.02Å; A356-F364 HydrophobicContact CB-CZ 3.99Å; A356-Y365 WeakPolarHBondContact CA-O 3.39Å; A356-L366 HydrophobicContact CB-CD2 3.65Å; A356-L388 HydrophobicContact CB-CD2 3.78Å; A356-L388 WeakPolarHBondContact O-CD2 3.47Å; A356-F397 HydrophobicContact CB-CD1 3.88Å; A356-F397 HydrophobicContact CB-CD2 4.29Å; A356-F397 HydrophobicContact CB-CE1 3.63Å; A356-F397 HydrophobicContact CB-CE2 4.06Å; A356-F397 HydrophobicContact CB-CG 4.2Å; A356-F397 HydrophobicContact CB-CZ 3.72Å |
| 357 | F | 96.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 158.1 | 175.7 | 59.4 | -94.4 | 0 | 0 | 0 | 111.6 | L316 V324 V336 L341 F344 V345 S346 V355 F364 Y365 L367 L372 | L316-F357 HydrophobicContact CD2-CD1 4.13Å; L316-F357 HydrophobicContact CD2-CE1 4.29Å; V324-F357 HydrophobicContact CG1-CE2 4.45Å; V324-F357 HydrophobicContact CG1-CZ 4.23Å; V324-F357 HydrophobicContact CG2-CE2 4.29Å; V336-F357 HydrophobicContact CG1-CE2 4.05Å; V336-F357 HydrophobicContact CG1-CZ 4.18Å; L341-F357 HydrophobicContact CD1-CD2 4.21Å; L341-F357 HydrophobicContact CD1-CE2 3.87Å; L341-F357 HydrophobicContact CD2-CD2 4.23Å; F344-F357 HydrophobicContact CD2-CB 4.48Å; F344-F357 HydrophobicContact CD2-CD2 4.42Å; F344-F357 HydrophobicContact CE2-CB 3.59Å; F344-F357 AromaticContact CE2-CD2 3.58Å; F344-F357 HydrophobicContact CE2-CD2 3.58Å; F344-F357 HydrophobicContact CE2-CE2 4.36Å; F344-F357 AromaticContact CE2-CG 3.7Å; F344-F357 HydrophobicContact CE2-CG 3.7Å; F344-F357 HydrophobicContact CZ-CB 3.64Å; F344-F357 HydrophobicContact CZ-CD2 4.33Å; F344-F357 AromaticContact CZ-CG 3.99Å; F344-F357 HydrophobicContact CZ-CG 3.99Å; V345-F357 CarbonylContact O-C 3.57Å; V345-F357 WeakPolarHBondContact O-CA 3.19Å; V345-F357 WeakPolarHBondContact O-CB 3.46Å; S346-F357 VanDerWaalsContact CB-CB 3.5Å; V355-F357 HydrophobicContact CG1-CD1 4.36Å; F357-F364 WeakPolarHBondContact O-CA 3.46Å; F357-Y365 HydrophobicContact CD2-CD2 4.02Å; F357-Y365 HydrophobicContact CD2-CG 4.35Å; F357-Y365 VanDerWaalsContact CE2-CB 3.47Å; F357-Y365 AromaticContact CE2-CD2 3.65Å; F357-Y365 HydrophobicContact CE2-CD2 3.65Å; F357-Y365 AromaticContact CE2-CG 3.77Å; F357-Y365 HydrophobicContact CE2-CG 3.77Å; F357-Y365 HydrophobicContact CZ-CG 4.19Å; F357-Y365 PolarHBondContact N-O 3.42Å; F357-Y365 PolarHBondContact O-N 3.01Å; F357-L367 HydrophobicContact CE1-CB 3.95Å; F357-L372 HydrophobicContact CE1-CD1 4.03Å; F357-L372 HydrophobicContact CE2-CD1 4.41Å; F357-L372 HydrophobicContact CZ-CD1 3.46Å; F357-L372 VanDerWaalsContact CZ-CD1 3.46Å |
| 358 | G | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | -173.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V345 A363 | V345-G358 PolarHBondContact N-O 3.19Å; V345-G358 PolarHBondContact O-N 3.06Å; G358-A363 CarbonylContact C-O 3.56Å; G358-A363 WeakPolarHBondContact CA-O 3.41Å |
| 359 | G | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -165.5 | -122.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L343 A363 I385 | L343-G359 WeakPolarHBondContact O-CA 3.41Å; G359-A363 PolarHBondContact N-O 3.26Å; G359-I385 WeakPolarHBondContact O-CB 3.48Å; G359-I385 WeakPolarHBondContact O-CG1 3.48Å; G359-I385 PolarHBondContact O-N 2.76Å | ||
| 360 | L | 92.8 | Very high | 90.2 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 162.3 | -178.3 | -65.7 | 175.1 | 0 | 0 | 0 | 112.1 | N340 L343 G362 A363 K384 | N340-L360 HydrophobicContact CB-CB 4.12Å; N340-L360 WeakPolarHBondContact CB-O 3.5Å; N340-L360 WeakPolarHBondContact O-CB 3.27Å; N340-L360 PolarHBondContact O-N 2.93Å; L343-L360 HydrophobicContact CB-CD2 4.48Å; L343-L360 HydrophobicContact CB-CG 4.23Å; L343-L360 HydrophobicContact CD1-CD1 4.2Å; L343-L360 HydrophobicContact CD1-CD2 3.69Å; L343-L360 HydrophobicContact CD1-CG 4.1Å; L360-G362 PolarHBondContact O-N 3.15Å; L360-A363 VanDerWaalsContact O-CB 3.3Å; L360-A363 WeakPolarHBondContact O-CB 3.47Å; L360-A363 PolarHBondContact O-N 2.84Å; L360-K384 HydrophobicContact CD2-CB 3.96Å; L360-K384 HydrophobicContact CD2-CD 4.06Å; L360-K384 HydrophobicContact CD2-CG 3.96Å |
| 361 | N | 92.2 | Very high | 91 | Very high | 108 Ų | 108 | 32.1 Ų | 32.1 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 34.7 | 171.7 | -57 | -40.8 | 0 | 0 | 0 | 114 | N340 A363 A382 K383 | N340-N361 PolarHBondContact OD1-ND2 3.39Å; N361-A363 VanDerWaalsContact C-N 3.25Å; N361-A363 PolarHBondContact O-N 2.85Å; N361-A382 CarbonylContact C-O 3.49Å; N361-A382 VanDerWaalsContact C-O 3.27Å; N361-K383 PolarHBondContact N-O 2.74Å |
| 362 | G | 88.9 | Confident | 92 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 8.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L360 F364 S376 T379 A382 | L360-G362 PolarHBondContact O-N 3.15Å; G362-F364 PolarHBondContact O-N 2.65Å; G362-F364 VanDerWaalsContact O-N 3.15Å; G362-S376 WeakPolarHBondContact O-CB 3.03Å; G362-T379 WeakPolarHBondContact CA-O 3.08Å; G362-T379 WeakPolarHBondContact O-CB 3.35Å; G362-T379 PolarHBondContact O-OG1 2.9Å; G362-A382 WeakPolarHBondContact CA-O 3.38Å; G362-A382 PolarHBondContact N-O 3.35Å |
| 363 | A | 95.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.025 | 16% | 0.161 | C | C | . | . | trans | -58.7 | 118.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N340 L341 G358 G359 L360 N361 Y365 S376 I385 | N340-A363 HydrophobicContact CB-CB 3.6Å; L341-A363 HydrophobicContact CD2-CB 4.42Å; G358-A363 CarbonylContact C-O 3.56Å; G358-A363 WeakPolarHBondContact CA-O 3.41Å; G359-A363 PolarHBondContact N-O 3.26Å; L360-A363 VanDerWaalsContact O-CB 3.3Å; L360-A363 WeakPolarHBondContact O-CB 3.47Å; L360-A363 PolarHBondContact O-N 2.84Å; N361-A363 VanDerWaalsContact C-N 3.25Å; N361-A363 PolarHBondContact O-N 2.85Å; A363-Y365 HydrophobicContact CB-CE2 4.16Å; A363-S376 WeakPolarHBondContact CA-OG 3.49Å; A363-I385 VanDerWaalsContact O-CD1 3.26Å; A363-I385 WeakPolarHBondContact O-CD1 3.49Å | ||
| 364 | F | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 126.2 | -177.7 | -177.1 | -112.3 | 0 | 0 | 0 | 110.9 | A356 F357 G362 L366 C375 S376 T379 I385 L388 L399 L409 A417 | A356-F364 HydrophobicContact CB-CE2 4.02Å; A356-F364 HydrophobicContact CB-CZ 3.99Å; F357-F364 WeakPolarHBondContact O-CA 3.46Å; G362-F364 PolarHBondContact O-N 2.65Å; G362-F364 VanDerWaalsContact O-N 3.15Å; F364-L366 HydrophobicContact CE1-CD2 4.13Å; F364-L366 HydrophobicContact CE1-CG 4.46Å; F364-L366 HydrophobicContact CZ-CD2 4.02Å; F364-C375 HydrophobicContact CD1-CB 3.63Å; F364-C375 HydrophobicContact CE1-CB 4.11Å; F364-C375 CarbonylContact O-C 3.41Å; F364-C375 WeakPolarHBondContact O-CA 3.48Å; F364-C375 PolarHBondContact O-N 3.43Å; F364-S376 PolarHBondContact N-OG 3.44Å; F364-S376 PolarHBondContact O-N 3.3Å; F364-S376 PolarHBondContact O-OG 3.33Å; F364-T379 HydrophobicContact CB-CG2 4.17Å; F364-T379 VanDerWaalsContact CB-OG1 3.22Å; F364-T379 WeakPolarHBondContact CB-OG1 3.29Å; F364-T379 HydrophobicContact CG-CG2 4.31Å; F364-I385 HydrophobicContact CB-CD1 4.43Å; F364-L388 HydrophobicContact CE2-CD1 3.95Å; F364-L388 HydrophobicContact CE2-CD2 4.01Å; F364-L399 HydrophobicContact CD2-CD1 4.36Å; F364-L409 HydrophobicContact CD1-CD1 4.19Å; F364-L409 HydrophobicContact CE1-CD1 3.75Å; F364-L409 HydrophobicContact CZ-CD1 4.06Å; F364-A417 HydrophobicContact CD1-CB 4.4Å; F364-A417 HydrophobicContact CE1-CB 3.89Å |
| 365 | Y | 97.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 8% | 0.078 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 146.4 | -171.8 | -63.7 | -82 | 0 | 0 | 0 | 111.8 | D338 L341 A356 F357 A363 L372 N373 D374 | D338-Y365 PolarHBondContact OD2-OH 3.38Å; D338-Y365 VanDerWaalsContact OD2-OH 3.13Å; L341-Y365 HydrophobicContact CD1-CD2 4.13Å; L341-Y365 HydrophobicContact CD1-CE2 3.95Å; L341-Y365 HydrophobicContact CD2-CD2 4.21Å; L341-Y365 HydrophobicContact CD2-CE2 4.19Å; L341-Y365 HydrophobicContact CG-CE2 4.29Å; A356-Y365 WeakPolarHBondContact CA-O 3.39Å; F357-Y365 HydrophobicContact CD2-CD2 4.02Å; F357-Y365 HydrophobicContact CD2-CG 4.35Å; F357-Y365 VanDerWaalsContact CE2-CB 3.47Å; F357-Y365 AromaticContact CE2-CD2 3.65Å; F357-Y365 HydrophobicContact CE2-CD2 3.65Å; F357-Y365 AromaticContact CE2-CG 3.77Å; F357-Y365 HydrophobicContact CE2-CG 3.77Å; F357-Y365 HydrophobicContact CZ-CG 4.19Å; F357-Y365 PolarHBondContact N-O 3.42Å; F357-Y365 PolarHBondContact O-N 3.01Å; A363-Y365 HydrophobicContact CB-CE2 4.16Å; Y365-L372 HydrophobicContact CD1-CD1 4.07Å; Y365-L372 HydrophobicContact CD1-CD2 4.06Å; Y365-L372 HydrophobicContact CD1-CG 4.09Å; Y365-L372 HydrophobicContact CE1-CD2 4.41Å; Y365-L372 HydrophobicContact CG-CD1 4.22Å; Y365-N373 WeakPolarHBondContact CA-O 3.48Å; Y365-D374 HydrophobicContact CD1-CB 4.09Å; Y365-D374 HydrophobicContact CE1-CB 3.8Å |
| 366 | L | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125 | 171.5 | -63.8 | -177.8 | 0 | 0 | 0 | 109.9 | L354 A356 F364 L372 N373 C411 | L354-L366 HydrophobicContact CD1-CB 4.16Å; L354-L366 HydrophobicContact CD1-CD2 4.41Å; A356-L366 HydrophobicContact CB-CD2 3.65Å; F364-L366 HydrophobicContact CE1-CD2 4.13Å; F364-L366 HydrophobicContact CE1-CG 4.46Å; F364-L366 HydrophobicContact CZ-CD2 4.02Å; L366-L372 CarbonylContact O-C 3.48Å; L366-L372 WeakPolarHBondContact O-CA 3.21Å; L366-N373 HydrophobicContact CB-CB 4.45Å; L366-N373 PolarHBondContact N-O 2.79Å; L366-N373 PolarHBondContact O-N 2.91Å; L366-C411 HydrophobicContact CD1-CB 3.87Å; L366-C411 HydrophobicContact CD2-CB 4.3Å |
| 367 | L | 95 | Very high | 93.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.9 | 175.2 | 176 | 69.5 | 0 | 0 | 0 | 109.9 | L308 L316 I335 V355 F357 M371 | L308-L367 HydrophobicContact CD2-CD2 4.43Å; L316-L367 HydrophobicContact CD1-CD2 3.65Å; L316-L367 HydrophobicContact CD2-CD2 4.27Å; I335-L367 HydrophobicContact CD1-CD1 4.14Å; I335-L367 HydrophobicContact CD1-CD2 3.67Å; I335-L367 HydrophobicContact CG2-CD1 4.24Å; V355-L367 HydrophobicContact CB-CB 4.37Å; V355-L367 PolarHBondContact N-O 3.19Å; V355-L367 PolarHBondContact O-N 3.07Å; F357-L367 HydrophobicContact CE1-CB 3.95Å; L367-M371 WeakPolarHBondContact CA-O 3.26Å |
| 368 | Y | 92.7 | Very high | 93.4 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 22% | 0.216 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128.8 | 177.1 | -179.1 | -110.3 | 0 | 0 | 0 | 110.3 | D352 L354 G370 M371 K414 | D352-Y368 HydrophobicContact CB-CE2 4.12Å; D352-Y368 VanDerWaalsContact O-CE2 3.31Å; D352-Y368 WeakPolarHBondContact O-CE2 3.45Å; L354-Y368 HydrophobicContact CB-CD2 4.24Å; Y368-G370 PolarHBondContact O-N 2.92Å; Y368-G370 VanDerWaalsContact O-N 3.11Å; Y368-M371 PolarHBondContact N-O 2.9Å; Y368-M371 WeakPolarHBondContact O-CB 3.5Å; Y368-M371 PolarHBondContact O-N 2.92Å; Y368-K414 HydrophobicContact CD1-CB 4.28Å; Y368-K414 HydrophobicContact CD1-CD 3.92Å; Y368-K414 HydrophobicContact CD2-CD 3.87Å; Y368-K414 HydrophobicContact CE1-CD 3.71Å; Y368-K414 HydrophobicContact CE2-CD 3.64Å; Y368-K414 HydrophobicContact CG-CB 4.22Å; Y368-K414 HydrophobicContact CG-CD 3.99Å; Y368-K414 PolarHBondContact OH-NZ 3.08Å; Y368-K414 VanDerWaalsContact OH-NZ 3.16Å |
| 369 | N | 86.4 | Confident | 93.4 | Very high | 124 Ų | 124 | 41.3 Ų | 41.3 | 66% | 0.663 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 38.8 | -178 | -69.3 | -9.4 | 0 | 0 | 0 | 113.6 | M371 | N369-M371 PolarHBondContact O-N 2.8Š|
| 370 | G | 83.4 | Confident | 93.3 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R333 Y368 | R333-G370 PolarHBondContact NH2-O 2.91Å; Y368-G370 PolarHBondContact O-N 2.92Å; Y368-G370 VanDerWaalsContact O-N 3.11Å |
| 371 | M | 90.6 | Very high | 93.2 | Very high | 103 Ų | 103 | 46.1 Ų | 46.1 | 51% | 0.507 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.9 | 173.4 | -62.7 | -172.7 | -64.4 | 0 | 0 | 110.6 | L367 Y368 N369 | L367-M371 WeakPolarHBondContact CA-O 3.26Å; Y368-M371 PolarHBondContact N-O 2.9Å; Y368-M371 WeakPolarHBondContact O-CB 3.5Å; Y368-M371 PolarHBondContact O-N 2.92Å; N369-M371 PolarHBondContact O-N 2.8Å |
| 372 | L | 95 | Very high | 93.1 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 29% | 0.293 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.9 | 175.3 | -174.2 | 77.6 | 0 | 0 | 0 | 110 | I335 V336 F357 Y365 L366 | I335-L372 HydrophobicContact CG2-CB 3.85Å; I335-L372 HydrophobicContact CG2-CD1 3.95Å; I335-L372 HydrophobicContact CG2-CD2 4.16Å; I335-L372 HydrophobicContact CG2-CG 4.21Å; V336-L372 HydrophobicContact CB-CD2 3.72Å; V336-L372 HydrophobicContact CG1-CD2 4.24Å; V336-L372 HydrophobicContact CG2-CD2 4.19Å; F357-L372 HydrophobicContact CE1-CD1 4.03Å; F357-L372 HydrophobicContact CE2-CD1 4.41Å; F357-L372 HydrophobicContact CZ-CD1 3.46Å; F357-L372 VanDerWaalsContact CZ-CD1 3.46Å; Y365-L372 HydrophobicContact CD1-CD1 4.07Å; Y365-L372 HydrophobicContact CD1-CD2 4.06Å; Y365-L372 HydrophobicContact CD1-CG 4.09Å; Y365-L372 HydrophobicContact CE1-CD2 4.41Å; Y365-L372 HydrophobicContact CG-CD1 4.22Å; L366-L372 CarbonylContact O-C 3.48Å; L366-L372 WeakPolarHBondContact O-CA 3.21Å |
| 373 | N | 96.6 | Very high | 93.2 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.1 | 170.9 | -56.8 | -86.2 | 0 | 0 | 0 | 109.1 | Y365 L366 K414 K415 | Y365-N373 WeakPolarHBondContact CA-O 3.48Å; L366-N373 HydrophobicContact CB-CB 4.45Å; L366-N373 PolarHBondContact N-O 2.79Å; L366-N373 PolarHBondContact O-N 2.91Å; N373-K414 PolarHBondContact ND2-O 3.25Å; N373-K415 WeakPolarHBondContact CB-O 3.21Å |
| 374 | D | 96 | Very high | 93 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.4 | 172.6 | -169.6 | -21 | 0 | 0 | 0 | 109.5 | Y365 S376 | Y365-D374 HydrophobicContact CD1-CB 4.09Å; Y365-D374 HydrophobicContact CE1-CB 3.8Å; D374-S376 WeakPolarHBondContact OD1-CB 3.27Å; D374-S376 PolarHBondContact OD1-N 2.72Å; D374-S376 PolarHBondContact OD1-OG 2.9Å |
| 375 | C | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -115.7 | 19.5 | 179.9 | -66.4 | 0 | 0 | 0 | 0 | 111.7 | F364 Y377 A378 A417 | F364-C375 HydrophobicContact CD1-CB 3.63Å; F364-C375 HydrophobicContact CE1-CB 4.11Å; F364-C375 CarbonylContact O-C 3.41Å; F364-C375 WeakPolarHBondContact O-CA 3.48Å; F364-C375 PolarHBondContact O-N 3.43Å; C375-Y377 HydrophobicContact CB-CE1 4.41Å; C375-Y377 PolarHBondContact O-N 3.48Å; C375-Y377 VanDerWaalsContact O-N 3.1Å; C375-A378 WeakPolarHBondContact O-CB 3.42Å; C375-A378 PolarHBondContact O-N 3.27Å; C375-A417 HydrophobicContact CB-CB 3.92Å | ||
| 376 | S | 95.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 18% | 0.175 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -63.4 | -19.5 | -174.3 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | G362 A363 F364 D374 A378 T379 A380 | G362-S376 WeakPolarHBondContact O-CB 3.03Å; A363-S376 WeakPolarHBondContact CA-OG 3.49Å; F364-S376 PolarHBondContact N-OG 3.44Å; F364-S376 PolarHBondContact O-N 3.3Å; F364-S376 PolarHBondContact O-OG 3.33Å; D374-S376 WeakPolarHBondContact OD1-CB 3.27Å; D374-S376 PolarHBondContact OD1-N 2.72Å; D374-S376 PolarHBondContact OD1-OG 2.9Å; S376-A378 PolarHBondContact O-N 3.04Å; S376-T379 CarbonylContact O-C 3.27Å; S376-T379 PolarHBondContact O-N 2.87Å; S376-T379 VanDerWaalsContact O-N 3.12Å; S376-T379 PolarHBondContact O-OG1 2.88Å; S376-A380 WeakPolarHBondContact O-CA 3.25Å; S376-A380 PolarHBondContact O-N 2.8Å |
| 377 | Y | 94.2 | Very high | 92.3 | Very high | 137 Ų | 137 | 53.8 Ų | 53.8 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -59.7 | -31 | 172.1 | 63.9 | -93 | 0 | 0 | 0 | 112.7 | C375 T379 S416 A417 | C375-Y377 HydrophobicContact CB-CE1 4.41Å; C375-Y377 PolarHBondContact O-N 3.48Å; C375-Y377 VanDerWaalsContact O-N 3.1Å; Y377-T379 PolarHBondContact O-N 3.27Å; Y377-S416 WeakPolarHBondContact OH-CA 3.41Å; Y377-S416 WeakPolarHBondContact OH-CB 3.46Å; Y377-A417 WeakPolarHBondContact CE2-O 3.22Å; Y377-A417 PolarHBondContact OH-N 2.71Å; Y377-A417 VanDerWaalsContact OH-N 3.14Å; Y377-A417 PolarHBondContact OH-O 3.22Å |
| 378 | A | 92.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -74.2 | -18.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C375 S376 L409 A417 | C375-A378 WeakPolarHBondContact O-CB 3.42Å; C375-A378 PolarHBondContact O-N 3.27Å; S376-A378 PolarHBondContact O-N 3.04Å; A378-L409 HydrophobicContact CB-CD1 4.47Å; A378-L409 HydrophobicContact CB-CD2 4.2Å; A378-A417 HydrophobicContact CB-CB 3.97Å; A378-A417 WeakPolarHBondContact CB-O 3.31Å |
| 379 | T | 93.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -125.4 | 14.1 | -174.3 | 44 | 0 | 0 | 0 | 0 | 112.3 | G362 F364 S376 Y377 A381 A382 L399 L407 L409 | G362-T379 WeakPolarHBondContact CA-O 3.08Å; G362-T379 WeakPolarHBondContact O-CB 3.35Å; G362-T379 PolarHBondContact O-OG1 2.9Å; F364-T379 HydrophobicContact CB-CG2 4.17Å; F364-T379 VanDerWaalsContact CB-OG1 3.22Å; F364-T379 WeakPolarHBondContact CB-OG1 3.29Å; F364-T379 HydrophobicContact CG-CG2 4.31Å; S376-T379 CarbonylContact O-C 3.27Å; S376-T379 PolarHBondContact O-N 2.87Å; S376-T379 VanDerWaalsContact O-N 3.12Å; S376-T379 PolarHBondContact O-OG1 2.88Å; Y377-T379 PolarHBondContact O-N 3.27Å; T379-A381 PolarHBondContact O-N 3.04Å; T379-A382 WeakPolarHBondContact O-CB 3.47Å; T379-A382 PolarHBondContact O-N 3.5Å; T379-L399 HydrophobicContact CG2-CD1 3.83Å; T379-L407 HydrophobicContact CG2-CD1 4.24Å; T379-L409 HydrophobicContact CG2-CD1 4.04Å |
| 380 | A | 90.9 | Very high | 92.8 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S376 A382 | S376-A380 WeakPolarHBondContact O-CA 3.25Å; S376-A380 PolarHBondContact O-N 2.8Å; A380-A382 VanDerWaalsContact C-N 3.35Å |
| 381 | A | 89.9 | Confident | 93.4 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -4.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T379 R405 | T379-A381 PolarHBondContact O-N 3.04Å; A381-R405 PolarHBondContact O-NH1 3.31Å; A381-R405 VanDerWaalsContact O-NH1 3.07Å |
| 382 | A | 90.9 | Very high | 93.5 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | trans | -88.6 | 130.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | N361 G362 T379 A380 A401 | N361-A382 CarbonylContact C-O 3.49Å; N361-A382 VanDerWaalsContact C-O 3.27Å; G362-A382 WeakPolarHBondContact CA-O 3.38Å; G362-A382 PolarHBondContact N-O 3.35Å; T379-A382 WeakPolarHBondContact O-CB 3.47Å; T379-A382 PolarHBondContact O-N 3.5Å; A380-A382 VanDerWaalsContact C-N 3.35Å; A382-A401 HydrophobicContact CB-CB 3.84Å | ||
| 383 | K | 89.8 | Confident | 93.3 | Very high | 156 Ų | 156 | 45.4 Ų | 45.4 | 68% | 0.678 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -83.3 | -31 | 175 | -67.3 | -176.8 | 179.8 | 179.3 | 0 | 111.8 | N361 E402 | N361-K383 PolarHBondContact N-O 2.74Å; K383-E402 PolarHBondContact N-OE2 2.86Å |
| 384 | K | 91.7 | Very high | 93 | Very high | 64 Ų | 64 | 50 Ų | 50 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -153.2 | 135.2 | 177.5 | 172.7 | 170.6 | 172.4 | 177.9 | 0 | 110.2 | L343 L360 F386 A401 E402 | L343-K384 HydrophobicContact CD1-CD 4.2Å; L360-K384 HydrophobicContact CD2-CB 3.96Å; L360-K384 HydrophobicContact CD2-CD 4.06Å; L360-K384 HydrophobicContact CD2-CG 3.96Å; K384-F386 HydrophobicContact CB-CD2 4.41Å; K384-F386 HydrophobicContact CB-CE2 3.87Å; K384-F386 HydrophobicContact CB-CZ 4.24Å; K384-F386 HydrophobicContact CD-CD1 4.21Å; K384-F386 HydrophobicContact CD-CD2 4.5Å; K384-F386 HydrophobicContact CD-CE1 3.72Å; K384-F386 HydrophobicContact CD-CE2 4.01Å; K384-F386 HydrophobicContact CD-CZ 3.62Å; K384-F386 HydrophobicContact CG-CD1 4.5Å; K384-F386 HydrophobicContact CG-CD2 4.06Å; K384-F386 HydrophobicContact CG-CE1 4.31Å; K384-F386 HydrophobicContact CG-CE2 3.82Å; K384-F386 HydrophobicContact CG-CG 4.41Å; K384-F386 HydrophobicContact CG-CZ 3.98Å; K384-F386 WeakPolarHBondContact O-CD2 3.36Å; K384-A401 VanDerWaalsContact O-CA 3.28Å; K384-A401 WeakPolarHBondContact O-CA 3.28Å; K384-E402 PolarHBondContact N-OE2 3.47Å |
| 385 | I | 92.4 | Very high | 93 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -90.3 | 114.8 | 170.3 | -53.4 | 172.5 | 0 | 0 | 0 | 108.5 | V345 G359 A363 F364 L399 | V345-I385 HydrophobicContact CG2-CB 3.94Å; V345-I385 HydrophobicContact CG2-CG2 3.55Å; G359-I385 WeakPolarHBondContact O-CB 3.48Å; G359-I385 WeakPolarHBondContact O-CG1 3.48Å; G359-I385 PolarHBondContact O-N 2.76Å; A363-I385 VanDerWaalsContact O-CD1 3.26Å; A363-I385 WeakPolarHBondContact O-CD1 3.49Å; F364-I385 HydrophobicContact CB-CD1 4.43Å; I385-L399 HydrophobicContact CB-CD1 4.19Å; I385-L399 HydrophobicContact CD1-CD1 3.49Å; I385-L399 VanDerWaalsContact CD1-CD1 3.49Å; I385-L399 HydrophobicContact CG1-CD1 3.68Å; I385-L399 HydrophobicContact CG1-CD2 4.33Å; I385-L399 HydrophobicContact CG1-CG 4.31Å; I385-L399 HydrophobicContact CG2-CD1 3.42Å; I385-L399 VanDerWaalsContact CG2-CD1 3.42Å; I385-L399 HydrophobicContact CG2-CD2 4.2Å; I385-L399 HydrophobicContact CG2-CG 3.55Å | ||
| 386 | F | 90.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | trans | -89.1 | -30.6 | -178.1 | -71.4 | -91.5 | 0 | 0 | 0 | 113.1 | K384 C400 E402 W433 | K384-F386 HydrophobicContact CB-CD2 4.41Å; K384-F386 HydrophobicContact CB-CE2 3.87Å; K384-F386 HydrophobicContact CB-CZ 4.24Å; K384-F386 HydrophobicContact CD-CD1 4.21Å; K384-F386 HydrophobicContact CD-CD2 4.5Å; K384-F386 HydrophobicContact CD-CE1 3.72Å; K384-F386 HydrophobicContact CD-CE2 4.01Å; K384-F386 HydrophobicContact CD-CZ 3.62Å; K384-F386 HydrophobicContact CG-CD1 4.5Å; K384-F386 HydrophobicContact CG-CD2 4.06Å; K384-F386 HydrophobicContact CG-CE1 4.31Å; K384-F386 HydrophobicContact CG-CE2 3.82Å; K384-F386 HydrophobicContact CG-CG 4.41Å; K384-F386 HydrophobicContact CG-CZ 3.98Å; K384-F386 WeakPolarHBondContact O-CD2 3.36Å; F386-C400 PolarHBondContact N-O 3.13Å; F386-E402 HydrophobicContact CE2-CB 3.96Å; F386-W433 HydrophobicContact CB-CB 3.78Å; F386-W433 HydrophobicContact CB-CD2 4.12Å; F386-W433 HydrophobicContact CB-CE3 4.13Å; F386-W433 HydrophobicContact CB-CG 4.01Å; F386-W433 AromaticContact CD1-CD2 3.77Å; F386-W433 HydrophobicContact CD1-CD2 3.77Å; F386-W433 AromaticContact CD1-CE3 3.06Å; F386-W433 HydrophobicContact CD1-CE3 3.06Å; F386-W433 HydrophobicContact CD1-CH2 4.15Å; F386-W433 AromaticContact CD1-CZ3 3.28Å; F386-W433 HydrophobicContact CD1-CZ3 3.28Å; F386-W433 HydrophobicContact CD2-CE3 4.48Å; F386-W433 AromaticContact CE1-CE3 3.43Å; F386-W433 HydrophobicContact CE1-CE3 3.43Å; F386-W433 VanDerWaalsContact CE1-CE3 3.43Å; F386-W433 HydrophobicContact CE1-CH2 4.22Å; F386-W433 AromaticContact CE1-CZ3 3.24Å; F386-W433 HydrophobicContact CE1-CZ3 3.24Å; F386-W433 HydrophobicContact CG-CB 4.36Å; F386-W433 HydrophobicContact CG-CD2 4.16Å; F386-W433 AromaticContact CG-CE3 3.65Å; F386-W433 HydrophobicContact CG-CE3 3.65Å; F386-W433 HydrophobicContact CG-CG 4.48Å; F386-W433 HydrophobicContact CG-CZ3 4.3Å; F386-W433 HydrophobicContact CZ-CE3 4.29Å; F386-W433 HydrophobicContact CZ-CZ3 4.25Å | ||
| 387 | S | 92.8 | Very high | 93 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 153 | 179.7 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | H389 C400 S434 | S387-H389 WeakPolarHBondContact CB-NE2 3.29Å; S387-H389 PolarHBondContact OG-NE2 2.83Å; S387-C400 PolarHBondContact O-N 2.97Å; S387-C400 VanDerWaalsContact OG-CB 3.26Å; S387-C400 WeakPolarHBondContact OG-CB 3.44Å; S387-S434 WeakPolarHBondContact CB-O 3.27Å; S387-S434 PolarHBondContact OG-O 2.8Å; S387-S434 PolarHBondContact OG-OG 3.22Å |
| 388 | L | 95 | Very high | 93.2 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.2 | 179 | -174.4 | 65.8 | 0 | 0 | 0 | 109.9 | V345 C347 A356 F364 F397 L398 L399 | V345-L388 HydrophobicContact CG2-CB 4.41Å; C347-L388 HydrophobicContact CB-CB 4.5Å; C347-L388 HydrophobicContact CB-CD2 4.17Å; C347-L388 HydrophobicContact CB-CG 4.03Å; A356-L388 HydrophobicContact CB-CD2 3.78Å; A356-L388 WeakPolarHBondContact O-CD2 3.47Å; F364-L388 HydrophobicContact CE2-CD1 3.95Å; F364-L388 HydrophobicContact CE2-CD2 4.01Å; L388-F397 HydrophobicContact CD1-CB 4.08Å; L388-F397 HydrophobicContact CD1-CD1 4.4Å; L388-F397 HydrophobicContact CG-CD1 4.37Å; L388-L398 WeakPolarHBondContact CA-O 3.22Å; L388-L399 HydrophobicContact CD1-CB 4.16Å; L388-L399 HydrophobicContact CD1-CD1 4.36Å |
| 389 | H | 95.8 | Very high | 93.3 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.4 | -174.3 | -55.2 | -71.9 | 0 | 0 | 0 | 110.6 | S387 V391 F397 L398 S434 S435 A437 | S387-H389 WeakPolarHBondContact CB-NE2 3.29Å; S387-H389 PolarHBondContact OG-NE2 2.83Å; H389-V391 HydrophobicContact CB-CG1 4.43Å; H389-V391 PolarHBondContact O-N 3.49Å; H389-F397 CarbonylContact O-C 3.52Å; H389-F397 VanDerWaalsContact O-CA 3.27Å; H389-F397 WeakPolarHBondContact O-CA 3.36Å; H389-L398 HydrophobicContact CB-CB 4.45Å; H389-L398 PolarHBondContact N-O 2.97Å; H389-L398 PolarHBondContact O-N 3.06Å; H389-S434 PolarHBondContact CD2-OG 3.05Å; H389-S434 PolarHBondContact NE2-O 3.27Å; H389-S434 PolarHBondContact NE2-OG 3.27Å; H389-S435 PolarHBondContact CE1-O 3Å; H389-S435 VanDerWaalsContact CE1-O 3.22Å; H389-A437 HydrophobicContact CB-CB 3.95Å |
| 390 | L | 95.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.4 | 165 | 178.7 | 78.3 | 0 | 0 | 0 | 107.7 | C347 D392 F397 | C347-L390 PolarHBondContact SG-N 2.91Å; L390-D392 WeakPolarHBondContact CD1-O 3.45Å; L390-D392 WeakPolarHBondContact CG-O 3.13Å; L390-F397 HydrophobicContact CB-CD1 4.27Å; L390-F397 HydrophobicContact CB-CE1 4Å; L390-F397 HydrophobicContact CD1-CD1 4.28Å; L390-F397 HydrophobicContact CD1-CE1 3.77Å; L390-F397 HydrophobicContact CD1-CE2 4.13Å; L390-F397 HydrophobicContact CD1-CZ 3.69Å |
| 391 | V | 95.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.03 | 18% | 0.178 | C | C | . | . | trans | -101.6 | -17.3 | -174.8 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | H389 K396 L398 L408 A437 L439 L449 | H389-V391 HydrophobicContact CB-CG1 4.43Å; H389-V391 PolarHBondContact O-N 3.49Å; V391-K396 HydrophobicContact CG2-CB 3.74Å; V391-K396 WeakPolarHBondContact CG2-O 3.47Å; V391-K396 PolarHBondContact N-O 2.85Å; V391-L398 HydrophobicContact CG1-CB 3.59Å; V391-L408 HydrophobicContact CG2-CD1 3.67Å; V391-A437 HydrophobicContact CG1-CB 3.78Å; V391-L439 HydrophobicContact CB-CB 3.9Å; V391-L439 HydrophobicContact CG2-CB 3.84Å; V391-L439 HydrophobicContact CG2-CD2 4.36Å; V391-L439 WeakPolarHBondContact O-CB 3.37Å; V391-L439 PolarHBondContact O-N 3.25Å; V391-L449 HydrophobicContact CB-CD1 4.41Å; V391-L449 HydrophobicContact CG1-CD1 4.1Å | ||
| 392 | D | 93 | Very high | 93.6 | Very high | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -146.5 | 176.5 | 178.1 | 81.7 | -1.6 | 0 | 0 | 0 | 113.9 | L390 K394 N395 K396 L439 | L390-D392 WeakPolarHBondContact CD1-O 3.45Å; L390-D392 WeakPolarHBondContact CG-O 3.13Å; D392-K394 VanDerWaalsContact C-N 3.28Å; D392-K394 PolarHBondContact O-N 3.39Å; D392-K394 WeakPolarHBondContact OD1-CA 3.3Å; D392-K394 PolarHBondContact OD1-N 3.34Å; D392-N395 PolarHBondContact OD1-N 3.47Å; D392-N395 VanDerWaalsContact OD1-N 3.1Å; D392-K396 WeakPolarHBondContact OD1-CB 3.23Å; D392-K396 PolarHBondContact OD1-N 3.47Å; D392-K396 WeakPolarHBondContact OD2-CD 3.39Å; D392-K396 WeakPolarHBondContact OD2-CE 3.43Å; D392-K396 WeakPolarHBondContact OD2-CG 3.48Å; D392-K396 IonicContact OD2-NZ 2.82Å; D392-K396 PolarHBondContact OD2-NZ 2.81Å; D392-L439 HydrophobicContact CB-CB 4.36Å; D392-L439 HydrophobicContact CB-CD2 4.38Å |
| 393 | S | 89.6 | Confident | 93.5 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 58% | 0.58 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.5 | 177.7 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | N351 | N351-S393 WeakPolarHBondContact ND2-CB 3.25Š|
| 394 | K | 91.6 | Very high | 93.6 | Very high | 136 Ų | 136 | 30 Ų | 30 | 59% | 0.591 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 15.5 | -177.1 | -62.1 | -179.9 | -179.8 | 173.6 | 0 | 112.2 | D392 S412 | D392-K394 VanDerWaalsContact C-N 3.28Å; D392-K394 PolarHBondContact O-N 3.39Å; D392-K394 WeakPolarHBondContact OD1-CA 3.3Å; D392-K394 PolarHBondContact OD1-N 3.34Å; K394-S412 WeakPolarHBondContact O-CB 3.32Å |
| 395 | N | 94.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | trans | 67.7 | 37.2 | 179.1 | -57 | -33.1 | 0 | 0 | 0 | 114.1 | S349 D352 L354 D392 F397 C411 | S349-N395 WeakPolarHBondContact CB-OD1 3.5Å; S349-N395 PolarHBondContact OG-OD1 3.26Å; D352-N395 PolarHBondContact OD2-ND2 3.07Å; L354-N395 HydrophobicContact CD2-CB 3.74Å; D392-N395 PolarHBondContact OD1-N 3.47Å; D392-N395 VanDerWaalsContact OD1-N 3.1Å; N395-F397 HydrophobicContact CB-CE2 4.13Å; N395-F397 WeakPolarHBondContact O-CD2 3.37Å; N395-C411 WeakPolarHBondContact O-CA 3.22Å; N395-C411 VanDerWaalsContact O-CB 3.29Å; N395-C411 WeakPolarHBondContact O-CB 3.41Å; N395-C411 PolarHBondContact O-N 3.4Å; N395-C411 VanDerWaalsContact O-N 3.08Å | ||
| 396 | K | 95.7 | Very high | 93.9 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.6 | 163.5 | -61.2 | -173.3 | -163.1 | 115.8 | 0 | 110.3 | V391 D392 L408 L409 Y420 L439 E447 | V391-K396 HydrophobicContact CG2-CB 3.74Å; V391-K396 WeakPolarHBondContact CG2-O 3.47Å; V391-K396 PolarHBondContact N-O 2.85Å; D392-K396 WeakPolarHBondContact OD1-CB 3.23Å; D392-K396 PolarHBondContact OD1-N 3.47Å; D392-K396 WeakPolarHBondContact OD2-CD 3.39Å; D392-K396 WeakPolarHBondContact OD2-CE 3.43Å; D392-K396 WeakPolarHBondContact OD2-CG 3.48Å; D392-K396 IonicContact OD2-NZ 2.82Å; D392-K396 PolarHBondContact OD2-NZ 2.81Å; K396-L408 HydrophobicContact CB-CD1 4.31Å; K396-L409 CarbonylContact C-O 3.53Å; K396-L409 VanDerWaalsContact CA-O 3.24Å; K396-L409 WeakPolarHBondContact CA-O 3.34Å; K396-Y420 HydrophobicContact CD-CD1 4.5Å; K396-Y420 HydrophobicContact CD-CD2 4.21Å; K396-Y420 HydrophobicContact CD-CE1 4.41Å; K396-Y420 HydrophobicContact CD-CE2 4.18Å; K396-Y420 HydrophobicContact CD-CG 4.35Å; K396-Y420 VanDerWaalsContact CE-CE2 3.44Å; K396-L439 HydrophobicContact CD-CD2 3.75Å; K396-E447 IonicContact NZ-OE1 2.76Å; K396-E447 PolarHBondContact NZ-OE1 2.87Å; K396-E447 IonicContact NZ-OE2 3.58Å; K396-E447 PolarHBondContact NZ-OE2 2.87Å |
| 397 | F | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | 179.7 | -68.9 | -89.3 | 0 | 0 | 0 | 111 | C347 L354 A356 L388 H389 L390 N395 L409 C411 | C347-F397 HydrophobicContact CB-CD1 4.25Å; C347-F397 HydrophobicContact CB-CE1 4.02Å; L354-F397 HydrophobicContact CD2-CE2 3.86Å; L354-F397 HydrophobicContact CD2-CZ 4.24Å; A356-F397 HydrophobicContact CB-CD1 3.88Å; A356-F397 HydrophobicContact CB-CD2 4.29Å; A356-F397 HydrophobicContact CB-CE1 3.63Å; A356-F397 HydrophobicContact CB-CE2 4.06Å; A356-F397 HydrophobicContact CB-CG 4.2Å; A356-F397 HydrophobicContact CB-CZ 3.72Å; L388-F397 HydrophobicContact CD1-CB 4.08Å; L388-F397 HydrophobicContact CD1-CD1 4.4Å; L388-F397 HydrophobicContact CG-CD1 4.37Å; H389-F397 CarbonylContact O-C 3.52Å; H389-F397 VanDerWaalsContact O-CA 3.27Å; H389-F397 WeakPolarHBondContact O-CA 3.36Å; L390-F397 HydrophobicContact CB-CD1 4.27Å; L390-F397 HydrophobicContact CB-CE1 4Å; L390-F397 HydrophobicContact CD1-CD1 4.28Å; L390-F397 HydrophobicContact CD1-CE1 3.77Å; L390-F397 HydrophobicContact CD1-CE2 4.13Å; L390-F397 HydrophobicContact CD1-CZ 3.69Å; N395-F397 HydrophobicContact CB-CE2 4.13Å; N395-F397 WeakPolarHBondContact O-CD2 3.37Å; F397-L409 PolarHBondContact N-O 3.39Å; F397-L409 PolarHBondContact O-N 3.17Å; F397-C411 HydrophobicContact CD2-CB 3.92Å; F397-C411 HydrophobicContact CE2-CB 4.07Å |
| 398 | L | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123 | 168.7 | -173.1 | 74.1 | 0 | 0 | 0 | 109.5 | L388 H389 V391 M406 L408 A437 L449 V451 | L388-L398 WeakPolarHBondContact CA-O 3.22Å; H389-L398 HydrophobicContact CB-CB 4.45Å; H389-L398 PolarHBondContact N-O 2.97Å; H389-L398 PolarHBondContact O-N 3.06Å; V391-L398 HydrophobicContact CG1-CB 3.59Å; L398-M406 HydrophobicContact CD1-CB 4.07Å; L398-M406 HydrophobicContact CD2-SD 3.99Å; L398-L408 HydrophobicContact CB-CD1 4.33Å; L398-L408 HydrophobicContact CD1-CB 4.08Å; L398-L408 HydrophobicContact CD1-CD1 4.32Å; L398-A437 HydrophobicContact CB-CB 4.44Å; L398-A437 HydrophobicContact CD2-CB 3.5Å; L398-L449 HydrophobicContact CD1-CD2 3.94Å; L398-L449 HydrophobicContact CD2-CD1 4.4Å; L398-L449 HydrophobicContact CD2-CD2 4.32Å; L398-V451 HydrophobicContact CD2-CG1 4.31Å; L398-V451 HydrophobicContact CD2-CG2 3.73Å |
| 399 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.9 | 175.8 | 178.6 | 140.9 | 0 | 0 | 0 | 109.5 | F364 T379 I385 L388 A401 M406 L407 | F364-L399 HydrophobicContact CD2-CD1 4.36Å; T379-L399 HydrophobicContact CG2-CD1 3.83Å; I385-L399 HydrophobicContact CB-CD1 4.19Å; I385-L399 HydrophobicContact CD1-CD1 3.49Å; I385-L399 VanDerWaalsContact CD1-CD1 3.49Å; I385-L399 HydrophobicContact CG1-CD1 3.68Å; I385-L399 HydrophobicContact CG1-CD2 4.33Å; I385-L399 HydrophobicContact CG1-CG 4.31Å; I385-L399 HydrophobicContact CG2-CD1 3.42Å; I385-L399 VanDerWaalsContact CG2-CD1 3.42Å; I385-L399 HydrophobicContact CG2-CD2 4.2Å; I385-L399 HydrophobicContact CG2-CG 3.55Å; L388-L399 HydrophobicContact CD1-CB 4.16Å; L388-L399 HydrophobicContact CD1-CD1 4.36Å; L399-A401 HydrophobicContact CD2-CB 4.19Å; L399-M406 CarbonylContact O-C 3.56Å; L399-M406 WeakPolarHBondContact O-CA 3.25Å; L399-L407 HydrophobicContact CB-CB 4.43Å; L399-L407 HydrophobicContact CD2-CB 4.39Å; L399-L407 HydrophobicContact CD2-CD1 4.2Å; L399-L407 HydrophobicContact CD2-CG 4.41Å; L399-L407 PolarHBondContact N-O 2.81Å; L399-L407 PolarHBondContact O-N 2.71Å |
| 400 | C | 95.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.8 | 170.2 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | F386 S387 R405 M406 W433 S434 | F386-C400 PolarHBondContact N-O 3.13Å; S387-C400 PolarHBondContact O-N 2.97Å; S387-C400 VanDerWaalsContact OG-CB 3.26Å; S387-C400 WeakPolarHBondContact OG-CB 3.44Å; C400-R405 CarbonylContact C-O 3.47Å; C400-R405 WeakPolarHBondContact CA-O 3.07Å; C400-M406 HydrophobicContact CB-CG 4.25Å; C400-W433 HydrophobicContact CB-CB 4.49Å; C400-W433 VanDerWaalsContact SG-CA 3.57Å; C400-S434 VanDerWaalsContact CB-OG 3.31Å; C400-S434 WeakPolarHBondContact CB-OG 3.31Å |
| 401 | A | 93.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | trans | -97.8 | -168.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A382 K384 L399 R405 | A382-A401 HydrophobicContact CB-CB 3.84Å; K384-A401 VanDerWaalsContact O-CA 3.28Å; K384-A401 WeakPolarHBondContact O-CA 3.28Å; L399-A401 HydrophobicContact CD2-CB 4.19Å; A401-R405 HydrophobicContact CB-CB 4.27Å; A401-R405 PolarHBondContact N-O 2.63Å | ||
| 402 | E | 90.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -57.8 | 152.5 | 178.1 | 67.2 | -72.4 | 162.3 | 0 | 0 | 113.2 | K383 K384 F386 G404 R405 | K383-E402 PolarHBondContact N-OE2 2.86Å; K384-E402 PolarHBondContact N-OE2 3.47Å; F386-E402 HydrophobicContact CE2-CB 3.96Å; E402-G404 PolarHBondContact O-N 3.24Å; E402-G404 VanDerWaalsContact O-N 3.16Å; E402-R405 WeakPolarHBondContact O-CB 3.27Å; E402-R405 WeakPolarHBondContact O-CD 3.34Å; E402-R405 WeakPolarHBondContact O-CG 3.18Å; E402-R405 PolarHBondContact O-N 3.4Å; E402-R405 IonicContact OE1-CZ 2.69Å; E402-R405 IonicContact OE1-NH1 2.9Å; E402-R405 PolarHBondContact OE1-NH1 3.08Å |
| 403 | N | 89.2 | Confident | 94.5 | Very high | 118 Ų | 118 | 28.7 Ų | 28.7 | 63% | 0.631 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | 57.6 | 25.1 | 178.2 | -55.6 | -28.8 | 0 | 0 | 0 | 115 | R405 R432 | N403-R405 VanDerWaalsContact C-N 3.27Å; N403-R405 PolarHBondContact O-N 2.94Å; N403-R432 PolarHBondContact O-NH1 2.83Å; N403-R432 PolarHBondContact O-NH2 3.44Å |
| 404 | G | 91.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | 75.1 | 14.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E402 M406 L425 L426 R432 | E402-G404 PolarHBondContact O-N 3.24Å; E402-G404 VanDerWaalsContact O-N 3.16Å; G404-M406 PolarHBondContact O-N 3.45Å; G404-L425 WeakPolarHBondContact O-CA 3.45Å; G404-L426 PolarHBondContact O-N 2.85Å; G404-R432 WeakPolarHBondContact CA-O 3.24Å; G404-R432 PolarHBondContact N-O 3.36Å; G404-R432 VanDerWaalsContact N-O 3.11Å |
| 405 | R | 94.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 26.9 Ų | 26.9 | 19% | 0.185 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 124.4 | 174.3 | -64.6 | 174.7 | 64.8 | -146.1 | -3.8 | 110 | A381 C400 A401 E402 N403 E423 L425 | A381-R405 PolarHBondContact O-NH1 3.31Å; A381-R405 VanDerWaalsContact O-NH1 3.07Å; C400-R405 CarbonylContact C-O 3.47Å; C400-R405 WeakPolarHBondContact CA-O 3.07Å; A401-R405 HydrophobicContact CB-CB 4.27Å; A401-R405 PolarHBondContact N-O 2.63Å; E402-R405 WeakPolarHBondContact O-CB 3.27Å; E402-R405 WeakPolarHBondContact O-CD 3.34Å; E402-R405 WeakPolarHBondContact O-CG 3.18Å; E402-R405 PolarHBondContact O-N 3.4Å; E402-R405 IonicContact OE1-CZ 2.69Å; E402-R405 IonicContact OE1-NH1 2.9Å; E402-R405 PolarHBondContact OE1-NH1 3.08Å; N403-R405 VanDerWaalsContact C-N 3.27Å; N403-R405 PolarHBondContact O-N 2.94Å; R405-E423 VanDerWaalsContact CB-OE1 3.32Å; R405-E423 WeakPolarHBondContact CB-OE1 3.27Å; R405-E423 WeakPolarHBondContact CD-OE1 3.34Å; R405-E423 WeakPolarHBondContact CG-OE1 3.27Å; R405-E423 IonicContact CZ-OE1 2.7Å; R405-E423 IonicContact CZ-OE2 3.52Å; R405-E423 IonicContact NE-OE1 2.82Å; R405-E423 PolarHBondContact NE-OE1 3.41Å; R405-E423 IonicContact NE-OE2 3.5Å; R405-E423 IonicContact NH2-OE1 3.94Å; R405-E423 PolarHBondContact NH2-OE1 3.49Å; R405-E423 IonicContact NH2-OE2 3.54Å; R405-E423 PolarHBondContact NH2-OE2 2.79Å; R405-L425 HydrophobicContact CB-CD2 4.5Å; R405-L425 HydrophobicContact CG-CD2 3.91Å |
| 406 | M | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.9 | -177.2 | -66 | -171.6 | -60.7 | 0 | 0 | 111.4 | L398 L399 C400 G404 L424 L426 V451 Y461 | L398-M406 HydrophobicContact CD1-CB 4.07Å; L398-M406 HydrophobicContact CD2-SD 3.99Å; L399-M406 CarbonylContact O-C 3.56Å; L399-M406 WeakPolarHBondContact O-CA 3.25Å; C400-M406 HydrophobicContact CB-CG 4.25Å; G404-M406 PolarHBondContact O-N 3.45Å; M406-L424 HydrophobicContact CB-CB 4.15Å; M406-L424 HydrophobicContact CE-CB 3.95Å; M406-L424 PolarHBondContact N-O 3.27Å; M406-L424 PolarHBondContact O-N 3.09Å; M406-L426 HydrophobicContact CE-CD2 4.07Å; M406-L426 HydrophobicContact CE-CG 4Å; M406-L426 HydrophobicContact CG-CG 4.37Å; M406-L426 HydrophobicContact SD-CD1 4.29Å; M406-L426 HydrophobicContact SD-CD2 4.02Å; M406-L426 HydrophobicContact SD-CG 3.79Å; M406-V451 HydrophobicContact CE-CG2 4.24Å; M406-V451 HydrophobicContact SD-CG1 3.88Å; M406-V451 HydrophobicContact SD-CG2 4.18Å; M406-Y461 HydrophobicContact CE-CE1 4.16Å; M406-Y461 HydrophobicContact CE-CE2 3.85Å; M406-Y461 WeakPolarHBondContact CE-OH 3.45Å |
| 407 | L | 96.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.8 | 177.4 | -57.7 | 177.9 | 0 | 0 | 0 | 108.7 | T379 L399 L409 L419 E423 | T379-L407 HydrophobicContact CG2-CD1 4.24Å; L399-L407 HydrophobicContact CB-CB 4.43Å; L399-L407 HydrophobicContact CD2-CB 4.39Å; L399-L407 HydrophobicContact CD2-CD1 4.2Å; L399-L407 HydrophobicContact CD2-CG 4.41Å; L399-L407 PolarHBondContact N-O 2.81Å; L399-L407 PolarHBondContact O-N 2.71Å; L407-L409 HydrophobicContact CB-CD2 4.41Å; L407-L419 HydrophobicContact CB-CD1 4.21Å; L407-L419 HydrophobicContact CD2-CD1 4.04Å; L407-E423 HydrophobicContact CD2-CB 4.12Å; L407-E423 HydrophobicContact CD2-CG 3.84Å |
| 408 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.9 | 173 | -176.8 | 54.4 | 0 | 0 | 0 | 108.7 | V391 K396 L398 Y420 L463 | V391-L408 HydrophobicContact CG2-CD1 3.67Å; K396-L408 HydrophobicContact CB-CD1 4.31Å; L398-L408 HydrophobicContact CB-CD1 4.33Å; L398-L408 HydrophobicContact CD1-CB 4.08Å; L398-L408 HydrophobicContact CD1-CD1 4.32Å; L408-Y420 HydrophobicContact CD2-CD1 3.87Å; L408-Y420 HydrophobicContact CG-CD1 4.32Å; L408-Y420 WeakPolarHBondContact O-CB 3.49Å; L408-Y420 PolarHBondContact O-N 2.82Å; L408-L463 HydrophobicContact CD2-CD1 3.81Å; L408-L463 HydrophobicContact CD2-CD2 4.41Å |
| 409 | L | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.7 | -174.8 | -57.9 | 178.6 | 0 | 0 | 0 | 110.6 | F364 A378 T379 K396 F397 L407 A417 I418 L419 | F364-L409 HydrophobicContact CD1-CD1 4.19Å; F364-L409 HydrophobicContact CE1-CD1 3.75Å; F364-L409 HydrophobicContact CZ-CD1 4.06Å; A378-L409 HydrophobicContact CB-CD1 4.47Å; A378-L409 HydrophobicContact CB-CD2 4.2Å; T379-L409 HydrophobicContact CG2-CD1 4.04Å; K396-L409 CarbonylContact C-O 3.53Å; K396-L409 VanDerWaalsContact CA-O 3.24Å; K396-L409 WeakPolarHBondContact CA-O 3.34Å; F397-L409 PolarHBondContact N-O 3.39Å; F397-L409 PolarHBondContact O-N 3.17Å; L407-L409 HydrophobicContact CB-CD2 4.41Å; L409-A417 HydrophobicContact CB-CB 4.44Å; L409-A417 HydrophobicContact CD1-CB 4.25Å; L409-I418 CarbonylContact C-O 3.38Å; L409-I418 VanDerWaalsContact CA-O 3.32Å; L409-I418 WeakPolarHBondContact CA-O 3.32Å; L409-L419 HydrophobicContact CD2-CD1 4.16Å |
| 410 | D | 96.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 17% | 0.171 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 113 | 166.3 | -174 | -18.7 | 0 | 0 | 0 | 109.2 | S412 I418 Y420 | D410-S412 WeakPolarHBondContact OD1-CB 3.41Å; D410-S412 PolarHBondContact OD1-N 3.05Å; D410-S412 PolarHBondContact OD1-OG 3.17Å; D410-I418 HydrophobicContact CB-CG1 3.95Å; D410-I418 PolarHBondContact N-O 2.76Å; D410-I418 PolarHBondContact O-N 3.05Å; D410-I418 VanDerWaalsContact O-N 3.11Å; D410-Y420 HydrophobicContact CB-CD2 4.14Å |
| 411 | C | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -113 | 25.1 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | L354 L366 N395 F397 S413 K414 | L354-C411 HydrophobicContact CD2-CB 4.46Å; L366-C411 HydrophobicContact CD1-CB 3.87Å; L366-C411 HydrophobicContact CD2-CB 4.3Å; N395-C411 WeakPolarHBondContact O-CA 3.22Å; N395-C411 VanDerWaalsContact O-CB 3.29Å; N395-C411 WeakPolarHBondContact O-CB 3.41Å; N395-C411 PolarHBondContact O-N 3.4Å; N395-C411 VanDerWaalsContact O-N 3.08Å; F397-C411 HydrophobicContact CD2-CB 3.92Å; F397-C411 HydrophobicContact CE2-CB 4.07Å; C411-S413 PolarHBondContact O-N 3.4Å; C411-K414 WeakPolarHBondContact O-CA 3.31Å; C411-K414 PolarHBondContact O-N 2.84Å | ||
| 412 | S | 94 | Very high | 94.2 | Very high | 64 Ų | 64 | 47.1 Ų | 47.1 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.6 | -179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | K394 D410 K414 | K394-S412 WeakPolarHBondContact O-CB 3.32Å; D410-S412 WeakPolarHBondContact OD1-CB 3.41Å; D410-S412 PolarHBondContact OD1-N 3.05Å; D410-S412 PolarHBondContact OD1-OG 3.17Å; S412-K414 PolarHBondContact O-N 2.77Å |
| 413 | S | 94 | Very high | 94.3 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -18.2 | 174.8 | 79.8 | 0 | 0 | 0 | 0 | 113.6 | C411 K415 S416 | C411-S413 PolarHBondContact O-N 3.4Å; S413-K415 PolarHBondContact O-N 2.87Å; S413-K415 PolarHBondContact OG-N 2.86Å; S413-S416 PolarHBondContact OG-N 2.87Å; S413-S416 PolarHBondContact OG-O 3.3Å; S413-S416 PolarHBondContact OG-OG 2.84Å |
| 414 | K | 93.4 | Very high | 94.7 | Very high | 49 Ų | 49 | 43 Ų | 43 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 62.3 | -0.7 | -174.9 | -42.8 | -176.8 | -165.2 | -158.9 | 0 | 115.1 | D352 L354 Y368 N373 C411 S412 | D352-K414 WeakPolarHBondContact OD2-CE 3.14Å; D352-K414 IonicContact OD2-NZ 3.62Å; D352-K414 PolarHBondContact OD2-NZ 3.3Å; L354-K414 HydrophobicContact CD1-CB 4.3Å; Y368-K414 HydrophobicContact CD1-CB 4.28Å; Y368-K414 HydrophobicContact CD1-CD 3.92Å; Y368-K414 HydrophobicContact CD2-CD 3.87Å; Y368-K414 HydrophobicContact CE1-CD 3.71Å; Y368-K414 HydrophobicContact CE2-CD 3.64Å; Y368-K414 HydrophobicContact CG-CB 4.22Å; Y368-K414 HydrophobicContact CG-CD 3.99Å; Y368-K414 PolarHBondContact OH-NZ 3.08Å; Y368-K414 VanDerWaalsContact OH-NZ 3.16Å; N373-K414 PolarHBondContact ND2-O 3.25Å; C411-K414 WeakPolarHBondContact O-CA 3.31Å; C411-K414 PolarHBondContact O-N 2.84Å; S412-K414 PolarHBondContact O-N 2.77Å |
| 415 | K | 93.9 | Very high | 94.9 | Very high | 133 Ų | 133 | 45 Ų | 45 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -124 | -20.1 | -176.5 | -63.9 | -175.3 | -179.2 | -177.5 | 0 | 113.3 | N373 S413 | N373-K415 WeakPolarHBondContact CB-O 3.21Å; S413-K415 PolarHBondContact O-N 2.87Å; S413-K415 PolarHBondContact OG-N 2.86Å |
| 416 | S | 96 | Very high | 94.9 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 30% | 0.301 | 22% | 0.221 | S | C | . | . | trans | -135.3 | 158.6 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | Y377 S413 | Y377-S416 WeakPolarHBondContact OH-CA 3.41Å; Y377-S416 WeakPolarHBondContact OH-CB 3.46Å; S413-S416 PolarHBondContact OG-N 2.87Å; S413-S416 PolarHBondContact OG-O 3.3Å; S413-S416 PolarHBondContact OG-OG 2.84Å | ||
| 417 | A | 96.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | trans | -125.2 | 126.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | F364 C375 Y377 A378 L409 | F364-A417 HydrophobicContact CD1-CB 4.4Å; F364-A417 HydrophobicContact CE1-CB 3.89Å; C375-A417 HydrophobicContact CB-CB 3.92Å; Y377-A417 WeakPolarHBondContact CE2-O 3.22Å; Y377-A417 PolarHBondContact OH-N 2.71Å; Y377-A417 VanDerWaalsContact OH-N 3.14Å; Y377-A417 PolarHBondContact OH-O 3.22Å; A378-A417 HydrophobicContact CB-CB 3.97Å; A378-A417 WeakPolarHBondContact CB-O 3.31Å; L409-A417 HydrophobicContact CB-CB 4.44Å; L409-A417 HydrophobicContact CD1-CB 4.25Å | ||
| 418 | I | 96.1 | Very high | 94.1 | Very high | 101 Ų | 101 | 50.7 Ų | 50.7 | 52% | 0.518 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 147.3 | 175.4 | 59.2 | 174.9 | 0 | 0 | 0 | 109.5 | L409 D410 Y420 | L409-I418 CarbonylContact C-O 3.38Å; L409-I418 VanDerWaalsContact CA-O 3.32Å; L409-I418 WeakPolarHBondContact CA-O 3.32Å; D410-I418 HydrophobicContact CB-CG1 3.95Å; D410-I418 PolarHBondContact N-O 2.76Å; D410-I418 PolarHBondContact O-N 3.05Å; D410-I418 VanDerWaalsContact O-N 3.11Å; I418-Y420 PolarHBondContact O-N 2.82Å |
| 419 | L | 93.9 | Very high | 93 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.7 | 177.4 | -171.3 | 71.8 | 0 | 0 | 0 | 109.4 | L407 L409 C421 | L407-L419 HydrophobicContact CB-CD1 4.21Å; L407-L419 HydrophobicContact CD2-CD1 4.04Å; L409-L419 HydrophobicContact CD2-CD1 4.16Å; L419-C421 WeakPolarHBondContact CD1-O 3.47Å; L419-C421 VanDerWaalsContact CD2-O 3.25Å; L419-C421 WeakPolarHBondContact CD2-O 3.23Å; L419-C421 WeakPolarHBondContact CG-O 3.33Å |
| 420 | Y | 91.9 | Very high | 91.8 | Very high | 93 Ų | 93 | 64.2 Ų | 64.2 | 37% | 0.365 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -77.7 | -36.8 | -176 | -175.3 | -104 | 0 | 0 | 0 | 112.6 | K396 L408 D410 I418 E447 L463 | K396-Y420 HydrophobicContact CD-CD1 4.5Å; K396-Y420 HydrophobicContact CD-CD2 4.21Å; K396-Y420 HydrophobicContact CD-CE1 4.41Å; K396-Y420 HydrophobicContact CD-CE2 4.18Å; K396-Y420 HydrophobicContact CD-CG 4.35Å; K396-Y420 VanDerWaalsContact CE-CE2 3.44Å; L408-Y420 HydrophobicContact CD2-CD1 3.87Å; L408-Y420 HydrophobicContact CG-CD1 4.32Å; L408-Y420 WeakPolarHBondContact O-CB 3.49Å; L408-Y420 PolarHBondContact O-N 2.82Å; D410-Y420 HydrophobicContact CB-CD2 4.14Å; I418-Y420 PolarHBondContact O-N 2.82Å; Y420-E447 WeakPolarHBondContact CE1-OE2 3.17Å; Y420-E447 PolarHBondContact OH-OE2 2.87Å; Y420-L463 HydrophobicContact CD1-CD1 4.33Å; Y420-L463 HydrophobicContact CE1-CD1 4.04Å |
| 421 | C | 91.7 | Very high | 90.7 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 14% | 0.142 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -144.9 | 168 | 176.4 | 67.3 | 0 | 0 | 0 | 0 | 109.6 | L419 | L419-C421 WeakPolarHBondContact CD1-O 3.47Å; L419-C421 VanDerWaalsContact CD2-O 3.25Å; L419-C421 WeakPolarHBondContact CD2-O 3.23Å; L419-C421 WeakPolarHBondContact CG-O 3.33Å |
| 422 | Q | 91.4 | Very high | 90.3 | Very high | 92 Ų | 92 | 69.4 Ų | 69.4 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -53.1 | 156.7 | 172.9 | 65.8 | 173.5 | 17 | 0 | 0 | 112.7 | L424 G466 L467 | Q422-L424 PolarHBondContact O-N 3.24Å; Q422-G466 PolarHBondContact NE2-O 2.85Å; Q422-L467 VanDerWaalsContact NE2-C 3.32Å; Q422-L467 PolarHBondContact NE2-O 2.88Å |
| 423 | E | 93.9 | Very high | 90 | Very high | 60 Ų | 60 | 70 Ų | 70 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | trans | -57.1 | 135.2 | 178.7 | -174.5 | 178.1 | 136.7 | 0 | 0 | 111.9 | R405 L407 N468 | R405-E423 VanDerWaalsContact CB-OE1 3.32Å; R405-E423 WeakPolarHBondContact CB-OE1 3.27Å; R405-E423 WeakPolarHBondContact CD-OE1 3.34Å; R405-E423 WeakPolarHBondContact CG-OE1 3.27Å; R405-E423 IonicContact CZ-OE1 2.7Å; R405-E423 IonicContact CZ-OE2 3.52Å; R405-E423 IonicContact NE-OE1 2.82Å; R405-E423 PolarHBondContact NE-OE1 3.41Å; R405-E423 IonicContact NE-OE2 3.5Å; R405-E423 IonicContact NH2-OE1 3.94Å; R405-E423 PolarHBondContact NH2-OE1 3.49Å; R405-E423 IonicContact NH2-OE2 3.54Å; R405-E423 PolarHBondContact NH2-OE2 2.79Å; L407-E423 HydrophobicContact CD2-CB 4.12Å; L407-E423 HydrophobicContact CD2-CG 3.84Å; E423-N468 VanDerWaalsContact O-CB 3.27Å; E423-N468 WeakPolarHBondContact O-CB 3.35Å | ||
| 424 | L | 96.1 | Very high | 90 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 158.8 | 178.7 | -56 | 175.9 | 0 | 0 | 0 | 110.3 | M406 Q422 L449 Y461 L463 N468 | M406-L424 HydrophobicContact CB-CB 4.15Å; M406-L424 HydrophobicContact CE-CB 3.95Å; M406-L424 PolarHBondContact N-O 3.27Å; M406-L424 PolarHBondContact O-N 3.09Å; Q422-L424 PolarHBondContact O-N 3.24Å; L424-L449 HydrophobicContact CD1-CD2 3.51Å; L424-Y461 HydrophobicContact CB-CD1 4.44Å; L424-Y461 HydrophobicContact CB-CE1 4.26Å; L424-Y461 HydrophobicContact CD1-CD1 4.18Å; L424-Y461 HydrophobicContact CD1-CG 4.35Å; L424-Y461 HydrophobicContact CD2-CD1 4.22Å; L424-L463 HydrophobicContact CD1-CD2 3.98Å; L424-N468 CarbonylContact C-O 3.56Å; L424-N468 WeakPolarHBondContact CA-O 3.38Å |
| 425 | L | 96.1 | Very high | 90 | Very high | 43 Ų | 43 | 66.2 Ų | 66.2 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129.7 | -179.5 | -68.3 | 171.3 | 0 | 0 | 0 | 110.4 | G404 R405 Y461 N468 L469 | G404-L425 WeakPolarHBondContact O-CA 3.45Å; R405-L425 HydrophobicContact CB-CD2 4.5Å; R405-L425 HydrophobicContact CG-CD2 3.91Å; L425-Y461 PolarHBondContact O-OH 3.17Å; L425-N468 PolarHBondContact N-O 3.41Å; L425-L469 HydrophobicContact CB-CD2 4.05Å |
| 426 | L | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 144.7 | 163.1 | -75.9 | 170.7 | 0 | 0 | 0 | 109.8 | G404 M406 R432 W433 V451 | G404-L426 PolarHBondContact O-N 2.85Å; M406-L426 HydrophobicContact CE-CD2 4.07Å; M406-L426 HydrophobicContact CE-CG 4Å; M406-L426 HydrophobicContact CG-CG 4.37Å; M406-L426 HydrophobicContact SD-CD1 4.29Å; M406-L426 HydrophobicContact SD-CD2 4.02Å; M406-L426 HydrophobicContact SD-CG 3.79Å; L426-R432 PolarHBondContact O-NE 2.9Å; L426-R432 PolarHBondContact O-NH2 2.8Å; L426-W433 VanDerWaalsContact CD1-C 3.49Å; L426-V451 HydrophobicContact CD2-CG1 3.99Å |
| 427 | P | 92.1 | Very high | 90.2 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 163.6 | 171.5 | -26.9 | 37.2 | 0 | 0 | 0 | 113.5 | R432 P470 | P427-R432 PolarHBondContact O-NE 2.82Å; P427-P470 HydrophobicContact CG-CG 3.66Å |
| 428 | D | 84.5 | Confident | 90.2 | Very high | 140 Ų | 140 | 59.7 Ų | 59.7 | 75% | 0.749 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -64.7 | 137.4 | 177.5 | -76.1 | -37.1 | 0 | 0 | 0 | 112.2 | R432 | D428-R432 IonicContact OD1-CZ 2.96Å; D428-R432 IonicContact OD1-NE 2.58Å; D428-R432 IonicContact OD1-NH1 3.1Å; D428-R432 PolarHBondContact OD1-NH1 3.39Å; D428-R432 IonicContact OD1-NH2 3.42Å |
| 429 | G | 74.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | trans | -173.9 | 169.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112 | Q431 R432 | G429-Q431 PolarHBondContact O-N 3.41Å; G429-R432 VanDerWaalsContact O-CG 3.28Å; G429-R432 WeakPolarHBondContact O-CG 3.38Å | ||
| 430 | R | 71.1 | Confident | 90.2 | Very high | 248 Ų | 248 | 51.6 Ų | 51.6 | 94% | 0.936 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65.5 | -37.1 | -178.3 | -76.5 | -175.9 | 177.8 | -178.2 | -0.9 | 113.6 | ||
| 431 | Q | 74.2 | Confident | 90.2 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -126.8 | 86.5 | 178.2 | -67.9 | -174.8 | 2.3 | 0 | 0 | 109.5 | G429 W433 R454 | G429-Q431 PolarHBondContact O-N 3.41Å; Q431-W433 VanDerWaalsContact C-N 3.29Å; Q431-W433 PolarHBondContact O-N 3.25Å; Q431-R454 HydrophobicContact CB-CB 4.03Å; Q431-R454 HydrophobicContact CB-CG 4.45Å |
| 432 | R | 86.3 | Confident | 90 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | trans | -83.6 | 67.8 | -177.7 | -59.7 | 178.9 | 70.8 | -164.4 | -11.2 | 111.2 | N403 G404 L426 P427 D428 G429 | N403-R432 PolarHBondContact O-NH1 2.83Å; N403-R432 PolarHBondContact O-NH2 3.44Å; G404-R432 WeakPolarHBondContact CA-O 3.24Å; G404-R432 PolarHBondContact N-O 3.36Å; G404-R432 VanDerWaalsContact N-O 3.11Å; L426-R432 PolarHBondContact O-NE 2.9Å; L426-R432 PolarHBondContact O-NH2 2.8Å; P427-R432 PolarHBondContact O-NE 2.82Å; D428-R432 IonicContact OD1-CZ 2.96Å; D428-R432 IonicContact OD1-NE 2.58Å; D428-R432 IonicContact OD1-NH1 3.1Å; D428-R432 PolarHBondContact OD1-NH1 3.39Å; D428-R432 IonicContact OD1-NH2 3.42Å; G429-R432 VanDerWaalsContact O-CG 3.28Å; G429-R432 WeakPolarHBondContact O-CG 3.38Å | ||
| 433 | W | 87.5 | Confident | 89.4 | Confident | 77 Ų | 77 | 52.4 Ų | 52.4 | 29% | 0.292 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -142 | 147.8 | 166.2 | 56.2 | 64.3 | 0 | 0 | 0 | 112 | F386 C400 L426 Q431 R454 | F386-W433 HydrophobicContact CB-CB 3.78Å; F386-W433 HydrophobicContact CB-CD2 4.12Å; F386-W433 HydrophobicContact CB-CE3 4.13Å; F386-W433 HydrophobicContact CB-CG 4.01Å; F386-W433 AromaticContact CD1-CD2 3.77Å; F386-W433 HydrophobicContact CD1-CD2 3.77Å; F386-W433 AromaticContact CD1-CE3 3.06Å; F386-W433 HydrophobicContact CD1-CE3 3.06Å; F386-W433 HydrophobicContact CD1-CH2 4.15Å; F386-W433 AromaticContact CD1-CZ3 3.28Å; F386-W433 HydrophobicContact CD1-CZ3 3.28Å; F386-W433 HydrophobicContact CD2-CE3 4.48Å; F386-W433 AromaticContact CE1-CE3 3.43Å; F386-W433 HydrophobicContact CE1-CE3 3.43Å; F386-W433 VanDerWaalsContact CE1-CE3 3.43Å; F386-W433 HydrophobicContact CE1-CH2 4.22Å; F386-W433 AromaticContact CE1-CZ3 3.24Å; F386-W433 HydrophobicContact CE1-CZ3 3.24Å; F386-W433 HydrophobicContact CG-CB 4.36Å; F386-W433 HydrophobicContact CG-CD2 4.16Å; F386-W433 AromaticContact CG-CE3 3.65Å; F386-W433 HydrophobicContact CG-CE3 3.65Å; F386-W433 HydrophobicContact CG-CG 4.48Å; F386-W433 HydrophobicContact CG-CZ3 4.3Å; F386-W433 HydrophobicContact CZ-CE3 4.29Å; F386-W433 HydrophobicContact CZ-CZ3 4.25Å; C400-W433 HydrophobicContact CB-CB 4.49Å; C400-W433 VanDerWaalsContact SG-CA 3.57Å; L426-W433 VanDerWaalsContact CD1-C 3.49Å; Q431-W433 VanDerWaalsContact C-N 3.29Å; Q431-W433 PolarHBondContact O-N 3.25Å; W433-R454 HydrophobicContact CG-CG 4.29Å |
| 434 | S | 94.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.1 | -176.7 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | S387 H389 C400 G452 | S387-S434 WeakPolarHBondContact CB-O 3.27Å; S387-S434 PolarHBondContact OG-O 2.8Å; S387-S434 PolarHBondContact OG-OG 3.22Å; H389-S434 PolarHBondContact CD2-OG 3.05Å; H389-S434 PolarHBondContact NE2-O 3.27Å; H389-S434 PolarHBondContact NE2-OG 3.27Å; C400-S434 VanDerWaalsContact CB-OG 3.31Å; C400-S434 WeakPolarHBondContact CB-OG 3.31Å; S434-G452 CarbonylContact C-O 3.57Å; S434-G452 WeakPolarHBondContact CA-O 3.49Å |
| 435 | S | 93 | Very high | 87.4 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -24.5 | 178.2 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | H389 G452 D453 V483 | H389-S435 PolarHBondContact CE1-O 3Å; H389-S435 VanDerWaalsContact CE1-O 3.22Å; S435-G452 PolarHBondContact N-O 2.84Å; S435-G452 PolarHBondContact OG-O 2.97Å; S435-D453 PolarHBondContact OG-O 2.68Å; S435-D453 VanDerWaalsContact OG-O 3.09Å; S435-V483 CarbonylContact C-O 3.56Å; S435-V483 WeakPolarHBondContact CB-O 2.93Å; S435-V483 PolarHBondContact OG-N 2.84Å; S435-V483 PolarHBondContact OG-O 3.31Å |
| 436 | A | 96.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | G452 V483 F486 | A436-G452 PolarHBondContact O-N 3.16Å; A436-V483 HydrophobicContact CB-CB 4.4Å; A436-V483 HydrophobicContact CB-CG1 4.3Å; A436-F486 HydrophobicContact CB-CD2 3.73Å; A436-F486 HydrophobicContact CB-CE2 3.76Å |
| 437 | A | 97.8 | Very high | 86.7 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 153.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | H389 V391 L398 I450 V451 | H389-A437 HydrophobicContact CB-CB 3.95Å; V391-A437 HydrophobicContact CG1-CB 3.78Å; L398-A437 HydrophobicContact CB-CB 4.44Å; L398-A437 HydrophobicContact CD2-CB 3.5Å; A437-I450 CarbonylContact C-O 3.42Å; A437-I450 VanDerWaalsContact CA-O 3.23Å; A437-I450 WeakPolarHBondContact CA-O 3.32Å; A437-V451 HydrophobicContact CB-CG2 4.36Å |
| 438 | I | 97 | Very high | 86.7 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.138 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.4 | 174 | -169 | 163.3 | 0 | 0 | 0 | 110.1 | V440 I450 F486 V488 L493 | I438-V440 HydrophobicContact CG1-CG2 4.43Å; I438-V440 HydrophobicContact CG2-CG2 4.17Å; I438-I450 HydrophobicContact CG2-CB 4Å; I438-I450 HydrophobicContact CG2-CD1 4.06Å; I438-I450 PolarHBondContact N-O 2.69Å; I438-I450 PolarHBondContact O-N 3.13Å; I438-F486 HydrophobicContact CB-CB 3.84Å; I438-F486 HydrophobicContact CD1-CB 4.28Å; I438-F486 HydrophobicContact CG2-CB 3.46Å; I438-F486 VanDerWaalsContact CG2-CB 3.46Å; I438-F486 HydrophobicContact CG2-CD1 4.38Å; I438-F486 HydrophobicContact CG2-CD2 4.27Å; I438-F486 HydrophobicContact CG2-CG 3.82Å; I438-V488 HydrophobicContact CD1-CG2 4.06Å; I438-L493 HydrophobicContact CG2-CD1 3.95Å |
| 439 | L | 95.8 | Very high | 87.3 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.8 | 173.4 | -169.8 | 67.5 | 0 | 0 | 0 | 108.5 | V391 D392 K396 E447 L449 L463 | V391-L439 HydrophobicContact CB-CB 3.9Å; V391-L439 HydrophobicContact CG2-CB 3.84Å; V391-L439 HydrophobicContact CG2-CD2 4.36Å; V391-L439 WeakPolarHBondContact O-CB 3.37Å; V391-L439 PolarHBondContact O-N 3.25Å; D392-L439 HydrophobicContact CB-CB 4.36Å; D392-L439 HydrophobicContact CB-CD2 4.38Å; K396-L439 HydrophobicContact CD-CD2 3.75Å; L439-E447 HydrophobicContact CD1-CB 3.91Å; L439-E447 HydrophobicContact CD2-CB 4.49Å; L439-E447 HydrophobicContact CG-CB 4.15Å; L439-L449 HydrophobicContact CD1-CB 3.93Å; L439-L449 HydrophobicContact CD1-CD1 4.28Å; L439-L463 HydrophobicContact CD1-CD1 3.76Å |
| 440 | V | 94.4 | Very high | 88.4 | Confident | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.3 | -177.4 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | I438 L442 K448 I450 V488 L493 F514 | I438-V440 HydrophobicContact CG1-CG2 4.43Å; I438-V440 HydrophobicContact CG2-CG2 4.17Å; V440-L442 HydrophobicContact CG1-CD2 4.34Å; V440-K448 PolarHBondContact N-O 3.37Å; V440-K448 PolarHBondContact O-N 2.91Å; V440-I450 HydrophobicContact CB-CD1 3.9Å; V440-I450 HydrophobicContact CG2-CD1 3.36Å; V440-V488 HydrophobicContact CG1-CG2 4.31Å; V440-V488 HydrophobicContact CG2-CG2 3.68Å; V440-L493 HydrophobicContact CG2-CD1 4.4Å; V440-F514 HydrophobicContact CB-CZ 4.44Å; V440-F514 HydrophobicContact CG1-CZ 3.98Å |
| 441 | P | 90.5 | Very high | 89.7 | Confident | 96 Ų | 96 | 46.2 Ų | 46.2 | 62% | 0.623 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.7 | 172.2 | 29.8 | -32.3 | 0 | 0 | 0 | 109.4 | ||
| 442 | L | 88 | Confident | 90.8 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | trans | -107 | -178.9 | 175.9 | -49.2 | 178.9 | 0 | 0 | 0 | 109.7 | V440 K446 K448 E507 F514 | V440-L442 HydrophobicContact CG1-CD2 4.34Å; L442-K446 HydrophobicContact CB-CB 4.25Å; L442-K446 HydrophobicContact CD1-CB 4.46Å; L442-K446 PolarHBondContact N-O 3.45Å; L442-K448 HydrophobicContact CD1-CB 3.91Å; L442-K448 HydrophobicContact CD2-CB 4.24Å; L442-K448 HydrophobicContact CG-CB 4.21Å; L442-E507 HydrophobicContact CD2-CG 4.07Å; L442-E507 VanDerWaalsContact CD2-OE1 3.28Å; L442-E507 WeakPolarHBondContact CD2-OE1 3.39Å; L442-E507 WeakPolarHBondContact CD2-OE2 3.37Å; L442-F514 HydrophobicContact CD2-CE2 3.86Å; L442-F514 HydrophobicContact CD2-CZ 3.97Å | ||
| 443 | N | 78.8 | Confident | 91.1 | Very high | 103 Ų | 103 | 40.1 Ų | 40.1 | 55% | 0.551 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -62.2 | 159.1 | 169.3 | -63.9 | -30 | 0 | 0 | 0 | 111.4 | N445 K446 | N443-N445 PolarHBondContact O-N 3Å; N443-K446 PolarHBondContact O-N 2.85Å |
| 444 | D | 74.6 | Confident | 91.1 | Very high | 145 Ų | 145 | 40.1 Ų | 40.1 | 78% | 0.775 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | 63 | 31.9 | 177.5 | -54.8 | -27.8 | 0 | 0 | 0 | 116.1 | K446 | D444-K446 HydrophobicContact CB-CG 4.42Å; D444-K446 PolarHBondContact O-N 2.86Å |
| 445 | N | 73.5 | Confident | 90.7 | Very high | 166 Ų | 166 | 41.5 Ų | 41.5 | 89% | 0.888 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | 61.5 | 18 | -177.8 | -63.3 | -39.6 | 0 | 0 | 0 | 114.5 | N443 | N443-N445 PolarHBondContact O-N 3Š|
| 446 | K | 85.7 | Confident | 90.5 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | trans | -82.3 | 152 | 176.1 | -52.8 | -161.5 | 168.7 | -165.8 | 0 | 111.4 | L442 N443 D444 E464 | L442-K446 HydrophobicContact CB-CB 4.25Å; L442-K446 HydrophobicContact CD1-CB 4.46Å; L442-K446 PolarHBondContact N-O 3.45Å; N443-K446 PolarHBondContact O-N 2.85Å; D444-K446 HydrophobicContact CB-CG 4.42Å; D444-K446 PolarHBondContact O-N 2.86Å; K446-E464 WeakPolarHBondContact CA-OE1 3.29Å; K446-E464 WeakPolarHBondContact CB-OE1 3.33Å; K446-E464 WeakPolarHBondContact CD-OE2 3.26Å; K446-E464 WeakPolarHBondContact CE-OE2 3.25Å; K446-E464 WeakPolarHBondContact CG-OE1 3.31Å; K446-E464 IonicContact NZ-OE2 3.74Å; K446-E464 PolarHBondContact NZ-OE2 2.73Å | ||
| 447 | E | 90.2 | Very high | 90.4 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.5 | 175.2 | -64.9 | 178.9 | 143 | 0 | 0 | 110.1 | K396 Y420 L439 L463 | K396-E447 IonicContact NZ-OE1 2.76Å; K396-E447 PolarHBondContact NZ-OE1 2.87Å; K396-E447 IonicContact NZ-OE2 3.58Å; K396-E447 PolarHBondContact NZ-OE2 2.87Å; Y420-E447 WeakPolarHBondContact CE1-OE2 3.17Å; Y420-E447 PolarHBondContact OH-OE2 2.87Å; L439-E447 HydrophobicContact CD1-CB 3.91Å; L439-E447 HydrophobicContact CD2-CB 4.49Å; L439-E447 HydrophobicContact CG-CB 4.15Å; E447-L463 HydrophobicContact CB-CD1 4.46Å |
| 448 | K | 93.4 | Very high | 90.3 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.1 | 174.5 | -171.5 | 147.3 | -70.3 | -169.6 | 0 | 109.6 | V440 L442 I450 F460 E471 G512 F514 | V440-K448 PolarHBondContact N-O 3.37Å; V440-K448 PolarHBondContact O-N 2.91Å; L442-K448 HydrophobicContact CD1-CB 3.91Å; L442-K448 HydrophobicContact CD2-CB 4.24Å; L442-K448 HydrophobicContact CG-CB 4.21Å; K448-I450 WeakPolarHBondContact O-CD1 3.41Å; K448-F460 HydrophobicContact CD-CB 4.39Å; K448-F460 HydrophobicContact CD-CD1 4.45Å; K448-E471 IonicContact NZ-OE2 3.54Å; K448-E471 PolarHBondContact NZ-OE2 2.92Å; K448-G512 WeakPolarHBondContact CD-O 3.46Å; K448-G512 VanDerWaalsContact CE-O 3.26Å; K448-G512 WeakPolarHBondContact CE-O 3.28Å; K448-G512 PolarHBondContact NZ-O 3.34Å; K448-F514 HydrophobicContact CB-CE2 4.42Å; K448-F514 HydrophobicContact CD-CD2 3.94Å; K448-F514 HydrophobicContact CD-CE2 3.98Å; K448-F514 HydrophobicContact CG-CE2 4.34Å |
| 449 | L | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.8 | 175.3 | 176.1 | 72.7 | 0 | 0 | 0 | 108.6 | V391 L398 L424 L439 V451 Y461 L463 | V391-L449 HydrophobicContact CB-CD1 4.41Å; V391-L449 HydrophobicContact CG1-CD1 4.1Å; L398-L449 HydrophobicContact CD1-CD2 3.94Å; L398-L449 HydrophobicContact CD2-CD1 4.4Å; L398-L449 HydrophobicContact CD2-CD2 4.32Å; L424-L449 HydrophobicContact CD1-CD2 3.51Å; L439-L449 HydrophobicContact CD1-CB 3.93Å; L439-L449 HydrophobicContact CD1-CD1 4.28Å; L449-V451 HydrophobicContact CD1-CG2 4.4Å; L449-V451 HydrophobicContact CD2-CG2 3.95Å; L449-V451 HydrophobicContact CG-CG2 3.84Å; L449-Y461 PolarHBondContact N-O 2.63Å; L449-Y461 PolarHBondContact O-N 2.77Å; L449-L463 HydrophobicContact CB-CD2 3.98Å; L449-L463 HydrophobicContact CB-CG 4.42Å; L449-L463 HydrophobicContact CD2-CD2 4.41Å |
| 450 | I | 97.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.1 | 175.2 | -55.3 | 97.7 | 0 | 0 | 0 | 108.5 | A437 I438 V440 K448 V458 H459 F460 F486 L493 | A437-I450 CarbonylContact C-O 3.42Å; A437-I450 VanDerWaalsContact CA-O 3.23Å; A437-I450 WeakPolarHBondContact CA-O 3.32Å; I438-I450 HydrophobicContact CG2-CB 4Å; I438-I450 HydrophobicContact CG2-CD1 4.06Å; I438-I450 PolarHBondContact N-O 2.69Å; I438-I450 PolarHBondContact O-N 3.13Å; V440-I450 HydrophobicContact CB-CD1 3.9Å; V440-I450 HydrophobicContact CG2-CD1 3.36Å; K448-I450 WeakPolarHBondContact O-CD1 3.41Å; I450-V458 HydrophobicContact CG2-CG1 3.62Å; I450-H459 CarbonylContact C-O 3.51Å; I450-H459 VanDerWaalsContact CA-O 3.32Å; I450-H459 WeakPolarHBondContact CA-O 3.25Å; I450-F460 HydrophobicContact CB-CD1 4.4Å; I450-F460 HydrophobicContact CB-CE1 4.44Å; I450-F460 HydrophobicContact CG1-CD1 3.46Å; I450-F460 VanDerWaalsContact CG1-CD1 3.46Å; I450-F460 HydrophobicContact CG1-CE1 3.6Å; I450-F460 HydrophobicContact CG1-CG 4.44Å; I450-F460 HydrophobicContact CG2-CD1 4.21Å; I450-F460 HydrophobicContact CG2-CE1 3.95Å; I450-F460 HydrophobicContact CG2-CZ 4.28Å; I450-F486 HydrophobicContact CG2-CD1 4.22Å; I450-F486 HydrophobicContact CG2-CE1 3.63Å; I450-F486 HydrophobicContact CG2-CE2 4.4Å; I450-F486 HydrophobicContact CG2-CZ 3.74Å; I450-L493 HydrophobicContact CD1-CD2 4.11Å; I450-L493 HydrophobicContact CG1-CD2 4.02Å; I450-L493 HydrophobicContact CG2-CD2 4.36Å |
| 451 | V | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.8 | -177 | -172.5 | 0 | 0 | 0 | 0 | 110 | L398 M406 L426 A437 L449 H459 Y461 | L398-V451 HydrophobicContact CD2-CG1 4.31Å; L398-V451 HydrophobicContact CD2-CG2 3.73Å; M406-V451 HydrophobicContact CE-CG2 4.24Å; M406-V451 HydrophobicContact SD-CG1 3.88Å; M406-V451 HydrophobicContact SD-CG2 4.18Å; L426-V451 HydrophobicContact CD2-CG1 3.99Å; A437-V451 HydrophobicContact CB-CG2 4.36Å; L449-V451 HydrophobicContact CD1-CG2 4.4Å; L449-V451 HydrophobicContact CD2-CG2 3.95Å; L449-V451 HydrophobicContact CG-CG2 3.84Å; V451-H459 PolarHBondContact N-O 2.68Å; V451-H459 PolarHBondContact O-CD2 3.39Å; V451-H459 PolarHBondContact O-N 3.45Å; V451-Y461 HydrophobicContact CB-CE2 4.22Å; V451-Y461 HydrophobicContact CG2-CD2 4.12Å; V451-Y461 HydrophobicContact CG2-CE2 3.97Å |
| 452 | G | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | S434 S435 A436 S457 V483 | S434-G452 CarbonylContact C-O 3.57Å; S434-G452 WeakPolarHBondContact CA-O 3.49Å; S435-G452 PolarHBondContact N-O 2.84Å; S435-G452 PolarHBondContact OG-O 2.97Å; A436-G452 PolarHBondContact O-N 3.16Å; G452-S457 VanDerWaalsContact CA-O 3.28Å; G452-S457 WeakPolarHBondContact CA-O 3.47Å; G452-V483 VanDerWaalsContact CA-CG2 3.5Å |
| 453 | D | 92.8 | Very high | 90.5 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 172.2 | 173.5 | 81.8 | 2 | 0 | 0 | 0 | 112.2 | S435 N455 G456 S457 H459 G482 V483 | S435-D453 PolarHBondContact OG-O 2.68Å; S435-D453 VanDerWaalsContact OG-O 3.09Å; D453-N455 PolarHBondContact O-N 3.35Å; D453-N455 VanDerWaalsContact OD1-C 3.24Å; D453-N455 VanDerWaalsContact OD1-CA 3.28Å; D453-N455 WeakPolarHBondContact OD1-CA 3.15Å; D453-N455 WeakPolarHBondContact OD1-CB 3.45Å; D453-N455 PolarHBondContact OD1-N 2.94Å; D453-G456 PolarHBondContact O-N 3.43Å; D453-G456 PolarHBondContact OD1-N 3.15Å; D453-S457 PolarHBondContact N-O 2.94Å; D453-S457 WeakPolarHBondContact OD1-CB 3.28Å; D453-S457 PolarHBondContact OD1-N 3.26Å; D453-S457 PolarHBondContact OD1-OG 3.11Å; D453-S457 PolarHBondContact OD2-OG 2.84Å; D453-H459 IonicContact OD2-NE2 3.52Å; D453-G482 WeakPolarHBondContact O-CA 3.46Å; D453-V483 PolarHBondContact O-N 2.98Å |
| 454 | R | 87.2 | Confident | 90.7 | Very high | 76 Ų | 76 | 34.7 Ų | 34.7 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.4 | 176 | -68.6 | -70.1 | -80.7 | -179.8 | -9.9 | 115 | Q431 W433 G456 R480 H481 G482 | Q431-R454 HydrophobicContact CB-CB 4.03Å; Q431-R454 HydrophobicContact CB-CG 4.45Å; W433-R454 HydrophobicContact CG-CG 4.29Å; R454-G456 PolarHBondContact O-N 3.49Å; R454-R480 CarbonylContact O-C 3.5Å; R454-R480 VanDerWaalsContact O-O 3.11Å; R454-H481 CarbonylContact O-C 3.52Å; R454-G482 WeakPolarHBondContact O-CA 3.44Å; R454-G482 PolarHBondContact O-N 2.87Å |
| 455 | N | 86.9 | Confident | 90.9 | Very high | 31 Ų | 31 | 32.4 Ų | 32.4 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 5.4 | 176.4 | -60.6 | -43 | 0 | 0 | 0 | 112 | D453 S457 H476 G479 | D453-N455 PolarHBondContact O-N 3.35Å; D453-N455 VanDerWaalsContact OD1-C 3.24Å; D453-N455 VanDerWaalsContact OD1-CA 3.28Å; D453-N455 WeakPolarHBondContact OD1-CA 3.15Å; D453-N455 WeakPolarHBondContact OD1-CB 3.45Å; D453-N455 PolarHBondContact OD1-N 2.94Å; N455-S457 VanDerWaalsContact C-N 3.32Å; N455-H476 PolarHBondContact O-ND1 3.49Å; N455-G479 CarbonylContact C-O 3.54Å |
| 456 | G | 88.9 | Confident | 91.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 78.5 | 15.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D453 R454 H476 L477 H478 G479 | D453-G456 PolarHBondContact O-N 3.43Å; D453-G456 PolarHBondContact OD1-N 3.15Å; R454-G456 PolarHBondContact O-N 3.49Å; G456-H476 CarbonylContact O-C 3.56Å; G456-L477 PolarHBondContact O-N 2.95Å; G456-H478 PolarHBondContact O-N 2.99Å; G456-G479 WeakPolarHBondContact CA-O 3.23Å; G456-G479 PolarHBondContact N-O 2.87Å |
| 457 | S | 94.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | trans | -80.4 | 150.4 | 175.3 | -47.4 | 0 | 0 | 0 | 0 | 110.5 | G452 D453 N455 Y474 H476 V483 | G452-S457 VanDerWaalsContact CA-O 3.28Å; G452-S457 WeakPolarHBondContact CA-O 3.47Å; D453-S457 PolarHBondContact N-O 2.94Å; D453-S457 WeakPolarHBondContact OD1-CB 3.28Å; D453-S457 PolarHBondContact OD1-N 3.26Å; D453-S457 PolarHBondContact OD1-OG 3.11Å; D453-S457 PolarHBondContact OD2-OG 2.84Å; N455-S457 VanDerWaalsContact C-N 3.32Å; S457-Y474 CarbonylContact C-O 3.59Å; S457-Y474 WeakPolarHBondContact CA-O 3.47Å; S457-H476 PolarHBondContact OG-N 3.49Å; S457-V483 WeakPolarHBondContact O-CG2 3.39Å | ||
| 458 | V | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.4 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | I450 F460 T473 Y474 L477 V483 F486 W505 | I450-V458 HydrophobicContact CG2-CG1 3.62Å; V458-F460 HydrophobicContact CB-CE2 4.44Å; V458-F460 HydrophobicContact CG1-CD2 4.41Å; V458-F460 HydrophobicContact CG1-CE2 3.64Å; V458-F460 HydrophobicContact CG1-CZ 3.78Å; V458-T473 CarbonylContact O-C 3.57Å; V458-T473 WeakPolarHBondContact O-CA 3.44Å; V458-Y474 PolarHBondContact N-O 2.63Å; V458-Y474 PolarHBondContact O-N 2.91Å; V458-L477 HydrophobicContact CG2-CD2 4.37Å; V458-V483 HydrophobicContact CG2-CG2 3.96Å; V458-F486 HydrophobicContact CG1-CE1 3.92Å; V458-F486 HydrophobicContact CG1-CZ 3.96Å; V458-F486 HydrophobicContact CG2-CE1 4.34Å; V458-F486 HydrophobicContact CG2-CZ 4.22Å; V458-W505 HydrophobicContact CB-CH2 4.37Å; V458-W505 HydrophobicContact CB-CZ2 4.39Å; V458-W505 HydrophobicContact CG1-CH2 4.45Å; V458-W505 HydrophobicContact CG1-CZ2 4.33Å; V458-W505 HydrophobicContact CG2-CZ2 4.14Å |
| 459 | H | 96.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.3 | -174.8 | -53.5 | -71.2 | 0 | 0 | 0 | 110.4 | I450 V451 D453 Y461 P470 T473 | I450-H459 CarbonylContact C-O 3.51Å; I450-H459 VanDerWaalsContact CA-O 3.32Å; I450-H459 WeakPolarHBondContact CA-O 3.25Å; V451-H459 PolarHBondContact N-O 2.68Å; V451-H459 PolarHBondContact O-CD2 3.39Å; V451-H459 PolarHBondContact O-N 3.45Å; D453-H459 IonicContact OD2-NE2 3.52Å; H459-Y461 HydrophobicContact CB-CD2 4.38Å; H459-Y461 HydrophobicContact CB-CE2 3.63Å; H459-P470 HydrophobicContact CB-CB 3.94Å; H459-P470 HydrophobicContact CB-CG 4.27Å; H459-T473 VanDerWaalsContact CE1-CG2 3.44Å; H459-T473 WeakPolarHBondContact CE1-CG2 3.17Å; H459-T473 VanDerWaalsContact ND1-CG2 3.28Å; H459-T473 WeakPolarHBondContact ND1-CG2 3.42Å; H459-T473 PolarHBondContact ND1-OG1 3.16Å |
| 460 | F | 96.2 | Very high | 91 | Very high | 1 Ų | 1 | 34 Ų | 34 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.6 | -178.8 | -62.6 | -96.2 | 0 | 0 | 0 | 109.8 | K448 I450 V458 P470 E471 Q472 Y474 L493 W505 F514 | K448-F460 HydrophobicContact CD-CB 4.39Å; K448-F460 HydrophobicContact CD-CD1 4.45Å; I450-F460 HydrophobicContact CB-CD1 4.4Å; I450-F460 HydrophobicContact CB-CE1 4.44Å; I450-F460 HydrophobicContact CG1-CD1 3.46Å; I450-F460 VanDerWaalsContact CG1-CD1 3.46Å; I450-F460 HydrophobicContact CG1-CE1 3.6Å; I450-F460 HydrophobicContact CG1-CG 4.44Å; I450-F460 HydrophobicContact CG2-CD1 4.21Å; I450-F460 HydrophobicContact CG2-CE1 3.95Å; I450-F460 HydrophobicContact CG2-CZ 4.28Å; V458-F460 HydrophobicContact CB-CE2 4.44Å; V458-F460 HydrophobicContact CG1-CD2 4.41Å; V458-F460 HydrophobicContact CG1-CE2 3.64Å; V458-F460 HydrophobicContact CG1-CZ 3.78Å; F460-P470 CarbonylContact O-C 3.45Å; F460-P470 WeakPolarHBondContact O-CA 3.38Å; F460-P470 WeakPolarHBondContact O-CB 3.22Å; F460-E471 PolarHBondContact O-N 2.8Å; F460-Q472 HydrophobicContact CB-CB 4.24Å; F460-Q472 HydrophobicContact CD2-CB 4.25Å; F460-Q472 PolarHBondContact N-O 2.94Å; F460-Q472 PolarHBondContact O-N 3.25Å; F460-Y474 HydrophobicContact CD2-CD2 4.28Å; F460-Y474 HydrophobicContact CD2-CE2 4.34Å; F460-Y474 AromaticContact CE2-CD2 3.66Å; F460-Y474 HydrophobicContact CE2-CD2 3.66Å; F460-Y474 AromaticContact CE2-CE2 3.76Å; F460-Y474 HydrophobicContact CE2-CE2 3.76Å; F460-L493 HydrophobicContact CE1-CD2 4.03Å; F460-W505 HydrophobicContact CE2-CZ3 4.27Å; F460-W505 HydrophobicContact CZ-CD2 4.4Å; F460-W505 HydrophobicContact CZ-CE3 4.02Å; F460-W505 HydrophobicContact CZ-CH2 4.46Å; F460-W505 HydrophobicContact CZ-CZ3 4.06Å; F460-F514 HydrophobicContact CD1-CB 4Å; F460-F514 AromaticContact CD1-CD2 3.92Å; F460-F514 HydrophobicContact CD1-CD2 3.92Å; F460-F514 HydrophobicContact CD1-CG 4.2Å; F460-F514 HydrophobicContact CE1-CB 3.41Å; F460-F514 VanDerWaalsContact CE1-CB 3.41Å; F460-F514 AromaticContact CE1-CD2 3.91Å; F460-F514 HydrophobicContact CE1-CD2 3.91Å; F460-F514 AromaticContact CE1-CG 3.72Å; F460-F514 HydrophobicContact CE1-CG 3.72Å; F460-F514 HydrophobicContact CZ-CB 3.88Å |
| 461 | Y | 95.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.4 | -177.8 | -65.4 | -99.8 | 0 | 0 | 0 | 110.7 | M406 L424 L425 L449 V451 H459 P470 | M406-Y461 HydrophobicContact CE-CE1 4.16Å; M406-Y461 HydrophobicContact CE-CE2 3.85Å; M406-Y461 WeakPolarHBondContact CE-OH 3.45Å; L424-Y461 HydrophobicContact CB-CD1 4.44Å; L424-Y461 HydrophobicContact CB-CE1 4.26Å; L424-Y461 HydrophobicContact CD1-CD1 4.18Å; L424-Y461 HydrophobicContact CD1-CG 4.35Å; L424-Y461 HydrophobicContact CD2-CD1 4.22Å; L425-Y461 PolarHBondContact O-OH 3.17Å; L449-Y461 PolarHBondContact N-O 2.63Å; L449-Y461 PolarHBondContact O-N 2.77Å; V451-Y461 HydrophobicContact CB-CE2 4.22Å; V451-Y461 HydrophobicContact CG2-CD2 4.12Å; V451-Y461 HydrophobicContact CG2-CE2 3.97Å; H459-Y461 HydrophobicContact CB-CD2 4.38Å; H459-Y461 HydrophobicContact CB-CE2 3.63Å; Y461-P470 HydrophobicContact CD1-CB 4.22Å; Y461-P470 HydrophobicContact CD2-CB 4.23Å; Y461-P470 HydrophobicContact CE1-CB 3.92Å; Y461-P470 HydrophobicContact CE1-CG 4.26Å; Y461-P470 VanDerWaalsContact CE1-N 3.3Å; Y461-P470 HydrophobicContact CE2-CB 3.91Å; Y461-P470 HydrophobicContact CG-CB 4.36Å |
| 462 | A | 91.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 41.5 Ų | 41.5 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109 | E464 | A462-E464 VanDerWaalsContact C-N 3.3Å; A462-E464 PolarHBondContact O-N 3.42Å |
| 463 | L | 90.2 | Very high | 90.4 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -20.4 | -171.9 | -58.9 | -176.4 | 0 | 0 | 0 | 113.6 | L408 Y420 L424 L439 E447 L449 | L408-L463 HydrophobicContact CD2-CD1 3.81Å; L408-L463 HydrophobicContact CD2-CD2 4.41Å; Y420-L463 HydrophobicContact CD1-CD1 4.33Å; Y420-L463 HydrophobicContact CE1-CD1 4.04Å; L424-L463 HydrophobicContact CD1-CD2 3.98Å; L439-L463 HydrophobicContact CD1-CD1 3.76Å; E447-L463 HydrophobicContact CB-CD1 4.46Å; L449-L463 HydrophobicContact CB-CD2 3.98Å; L449-L463 HydrophobicContact CB-CG 4.42Å; L449-L463 HydrophobicContact CD2-CD2 4.41Å |
| 464 | E | 83.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -24.2 | -176.1 | -69.5 | 158.5 | -153.6 | 0 | 0 | 113.9 | K446 A462 G466 | K446-E464 WeakPolarHBondContact CA-OE1 3.29Å; K446-E464 WeakPolarHBondContact CB-OE1 3.33Å; K446-E464 WeakPolarHBondContact CD-OE2 3.26Å; K446-E464 WeakPolarHBondContact CE-OE2 3.25Å; K446-E464 WeakPolarHBondContact CG-OE1 3.31Å; K446-E464 IonicContact NZ-OE2 3.74Å; K446-E464 PolarHBondContact NZ-OE2 2.73Å; A462-E464 VanDerWaalsContact C-N 3.3Å; A462-E464 PolarHBondContact O-N 3.42Å; E464-G466 PolarHBondContact O-N 3.41Å; E464-G466 VanDerWaalsContact O-N 3.16Å |
| 465 | N | 77.4 | Confident | 90.7 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -77.2 | -4 | -167.8 | -67.3 | -2.1 | 0 | 0 | 0 | 113.4 | L467 | N465-L467 HydrophobicContact CB-CD1 4.34Å; N465-L467 HydrophobicContact CB-CG 4.25Å; N465-L467 PolarHBondContact O-N 3.22Å; N465-L467 VanDerWaalsContact O-N 3.14Å |
| 466 | G | 77.2 | Confident | 90.7 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | trans | 63 | 16.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q422 E464 | Q422-G466 PolarHBondContact NE2-O 2.85Å; E464-G466 PolarHBondContact O-N 3.41Å; E464-G466 VanDerWaalsContact O-N 3.16Å | ||
| 467 | L | 86.9 | Confident | 90.8 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | trans | -89.4 | 141.4 | 171.1 | -63.7 | 175 | 0 | 0 | 0 | 109.7 | Q422 N465 | Q422-L467 VanDerWaalsContact NE2-C 3.32Å; Q422-L467 PolarHBondContact NE2-O 2.88Å; N465-L467 HydrophobicContact CB-CD1 4.34Å; N465-L467 HydrophobicContact CB-CG 4.25Å; N465-L467 PolarHBondContact O-N 3.22Å; N465-L467 VanDerWaalsContact O-N 3.14Å | ||
| 468 | N | 90.9 | Very high | 90.6 | Very high | 66 Ų | 66 | 51 Ų | 51 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -95 | -9.7 | 175 | 60.3 | -3.4 | 0 | 0 | 0 | 112.9 | E423 L424 L425 | E423-N468 VanDerWaalsContact O-CB 3.27Å; E423-N468 WeakPolarHBondContact O-CB 3.35Å; L424-N468 CarbonylContact C-O 3.56Å; L424-N468 WeakPolarHBondContact CA-O 3.38Å; L425-N468 PolarHBondContact N-O 3.41Å |
| 469 | L | 93.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 48% | 0.482 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -103.6 | 156.6 | 179.1 | -71.9 | 173.3 | 0 | 0 | 0 | 111.5 | L425 | L425-L469 HydrophobicContact CB-CD2 4.05Š|
| 470 | P | 94 | Very high | 88.9 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | trans | -69.1 | 140.8 | -179.2 | 26.7 | -31.7 | 0 | 0 | 0 | 111.7 | P427 H459 F460 Y461 Q472 T473 | P427-P470 HydrophobicContact CG-CG 3.66Å; H459-P470 HydrophobicContact CB-CB 3.94Å; H459-P470 HydrophobicContact CB-CG 4.27Å; F460-P470 CarbonylContact O-C 3.45Å; F460-P470 WeakPolarHBondContact O-CA 3.38Å; F460-P470 WeakPolarHBondContact O-CB 3.22Å; Y461-P470 HydrophobicContact CD1-CB 4.22Å; Y461-P470 HydrophobicContact CD2-CB 4.23Å; Y461-P470 HydrophobicContact CE1-CB 3.92Å; Y461-P470 HydrophobicContact CE1-CG 4.26Å; Y461-P470 VanDerWaalsContact CE1-N 3.3Å; Y461-P470 HydrophobicContact CE2-CB 3.91Å; Y461-P470 HydrophobicContact CG-CB 4.36Å; P470-Q472 VanDerWaalsContact C-N 3.31Å; P470-T473 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 471 | E | 92.3 | Very high | 88 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -66.1 | -36.8 | 172.9 | -176.2 | -167.9 | 174 | 0 | 0 | 110.9 | K448 F460 | K448-E471 IonicContact NZ-OE2 3.54Å; K448-E471 PolarHBondContact NZ-OE2 2.92Å; F460-E471 PolarHBondContact O-N 2.8Å |
| 472 | Q | 92.6 | Very high | 87.5 | Confident | 57 Ų | 57 | 66.5 Ų | 66.5 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.5 | -177.7 | -168.7 | 172.9 | 17.6 | 0 | 0 | 110.6 | F460 P470 Y474 F514 | F460-Q472 HydrophobicContact CB-CB 4.24Å; F460-Q472 HydrophobicContact CD2-CB 4.25Å; F460-Q472 PolarHBondContact N-O 2.94Å; F460-Q472 PolarHBondContact O-N 3.25Å; P470-Q472 VanDerWaalsContact C-N 3.31Å; Q472-Y474 HydrophobicContact CG-CD2 4.34Å; Q472-Y474 HydrophobicContact CG-CE2 3.82Å; Q472-Y474 PolarHBondContact NE2-OH 3.43Å; Q472-F514 PolarHBondContact OE1-O 2.87Å |
| 473 | T | 94.1 | Very high | 87.6 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 33% | 0.331 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.6 | 177.5 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | V458 H459 P470 | V458-T473 CarbonylContact O-C 3.57Å; V458-T473 WeakPolarHBondContact O-CA 3.44Å; H459-T473 VanDerWaalsContact CE1-CG2 3.44Å; H459-T473 WeakPolarHBondContact CE1-CG2 3.17Å; H459-T473 VanDerWaalsContact ND1-CG2 3.28Å; H459-T473 WeakPolarHBondContact ND1-CG2 3.42Å; H459-T473 PolarHBondContact ND1-OG1 3.16Å; P470-T473 WeakPolarHBondContact CG-OG1 3.47Å |
| 474 | Y | 94.5 | Very high | 87.7 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 99.7 | 168.6 | -68.2 | -101.3 | 0 | 0 | 0 | 108.4 | S457 V458 F460 Q472 W505 F514 L516 | S457-Y474 CarbonylContact C-O 3.59Å; S457-Y474 WeakPolarHBondContact CA-O 3.47Å; V458-Y474 PolarHBondContact N-O 2.63Å; V458-Y474 PolarHBondContact O-N 2.91Å; F460-Y474 HydrophobicContact CD2-CD2 4.28Å; F460-Y474 HydrophobicContact CD2-CE2 4.34Å; F460-Y474 AromaticContact CE2-CD2 3.66Å; F460-Y474 HydrophobicContact CE2-CD2 3.66Å; F460-Y474 AromaticContact CE2-CE2 3.76Å; F460-Y474 HydrophobicContact CE2-CE2 3.76Å; Q472-Y474 HydrophobicContact CG-CD2 4.34Å; Q472-Y474 HydrophobicContact CG-CE2 3.82Å; Q472-Y474 PolarHBondContact NE2-OH 3.43Å; Y474-W505 HydrophobicContact CD1-CH2 4.38Å; Y474-W505 HydrophobicContact CD1-CZ3 4.2Å; Y474-W505 HydrophobicContact CD2-CH2 4.05Å; Y474-W505 AromaticContact CD2-CZ3 3.8Å; Y474-W505 HydrophobicContact CD2-CZ3 3.8Å; Y474-W505 HydrophobicContact CE1-CZ3 4.13Å; Y474-W505 HydrophobicContact CE2-CH2 4.41Å; Y474-W505 AromaticContact CE2-CZ3 3.7Å; Y474-W505 HydrophobicContact CE2-CZ3 3.7Å; Y474-W505 AromaticContact CG-CH2 3.99Å; Y474-W505 HydrophobicContact CG-CH2 3.99Å; Y474-W505 HydrophobicContact CG-CZ3 4.02Å; Y474-W505 AromaticContact CZ-CZ3 3.86Å; Y474-F514 PolarHBondContact OH-O 2.91Å; Y474-F514 VanDerWaalsContact OH-O 3.12Å; Y474-L516 HydrophobicContact CE1-CB 4.37Å |
| 475 | S | 91.1 | Very high | 88.3 | Confident | 82 Ų | 82 | 61.1 Ų | 61.1 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 137.3 | -174.6 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | L477 | S475-L477 PolarHBondContact O-N 2.63Š|
| 476 | H | 88.4 | Confident | 89.2 | Confident | 116 Ų | 116 | 56.9 Ų | 56.9 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 23.3 | 170.2 | -55.3 | -60.7 | 0 | 0 | 0 | 116.6 | N455 G456 S457 H478 G479 | N455-H476 PolarHBondContact O-ND1 3.49Å; G456-H476 CarbonylContact O-C 3.56Å; S457-H476 PolarHBondContact OG-N 3.49Å; H476-H478 VanDerWaalsContact C-N 3.27Å; H476-H478 PolarHBondContact O-N 2.97Å; H476-G479 PolarHBondContact O-N 2.9Å |
| 477 | L | 90 | Very high | 90 | Very high | 19 Ų | 19 | 55.1 Ų | 55.1 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40.4 | -177.6 | -174.3 | 68.8 | 0 | 0 | 0 | 112.8 | G456 V458 S475 C503 W505 L516 K519 | G456-L477 PolarHBondContact O-N 2.95Å; V458-L477 HydrophobicContact CG2-CD2 4.37Å; S475-L477 PolarHBondContact O-N 2.63Å; L477-C503 HydrophobicContact CD2-CB 4.22Å; L477-W505 HydrophobicContact CD2-CH2 3.32Å; L477-W505 HydrophobicContact CD2-CZ2 3.22Å; L477-L516 HydrophobicContact CD1-CD2 4.06Å; L477-K519 HydrophobicContact CD1-CD 4Å; L477-K519 PolarHBondContact O-NZ 3.12Å |
| 478 | H | 89.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 11.2 | -177.8 | -77.1 | -58.5 | 0 | 0 | 0 | 114.2 | G456 H476 V483 S495 V496 G497 N499 M501 | G456-H478 PolarHBondContact O-N 2.99Å; H476-H478 VanDerWaalsContact C-N 3.27Å; H476-H478 PolarHBondContact O-N 2.97Å; H478-V483 HydrophobicContact CB-CG2 4.31Å; H478-S495 PolarHBondContact CE1-O 3.22Å; H478-S495 PolarHBondContact NE2-OG 3.38Å; H478-V496 VanDerWaalsContact CE1-C 3.47Å; H478-G497 PolarHBondContact ND1-N 3.15Å; H478-N499 VanDerWaalsContact CA-ND2 3.29Å; H478-N499 WeakPolarHBondContact CA-ND2 3.38Å; H478-N499 VanDerWaalsContact O-CG 3.28Å; H478-N499 PolarHBondContact O-ND2 3.08Å; H478-M501 PolarHBondContact CE1-O 3.46Å |
| 479 | G | 80.8 | Confident | 90.1 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 26% | 0.263 | C | S | . | . | trans | 71.4 | -169.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | N455 G456 H476 H481 | N455-G479 CarbonylContact C-O 3.54Å; G456-G479 WeakPolarHBondContact CA-O 3.23Å; G456-G479 PolarHBondContact N-O 2.87Å; H476-G479 PolarHBondContact O-N 2.9Å; G479-H481 VanDerWaalsContact C-N 3.26Å; G479-H481 PolarHBondContact O-N 3.08Å; G479-H481 VanDerWaalsContact O-N 3.15Å | ||
| 480 | R | 77.6 | Confident | 89.7 | Confident | 206 Ų | 206 | 54.9 Ų | 54.9 | 78% | 0.777 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 2.1 | -163.5 | -62.4 | -178.4 | -179.4 | 176.3 | 1.4 | 116.2 | R454 | R454-R480 CarbonylContact O-C 3.5Å; R454-R480 VanDerWaalsContact O-O 3.11Å |
| 481 | H | 76.9 | Confident | 89.3 | Confident | 100 Ų | 100 | 56.4 Ų | 56.4 | 46% | 0.463 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 6.6 | -174 | -62.7 | -63.4 | 0 | 0 | 0 | 113.2 | R454 G479 R498 | R454-H481 CarbonylContact O-C 3.52Å; G479-H481 VanDerWaalsContact C-N 3.26Å; G479-H481 PolarHBondContact O-N 3.08Å; G479-H481 VanDerWaalsContact O-N 3.15Å; H481-R498 HydrophobicContact CB-CB 3.74Å; H481-R498 HydrophobicContact CB-CG 3.98Å; H481-R498 WeakPolarHBondContact O-CD 3.39Å |
| 482 | G | 84.2 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | 85.5 | 164.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D453 R454 | D453-G482 WeakPolarHBondContact O-CA 3.46Å; R454-G482 WeakPolarHBondContact O-CA 3.44Å; R454-G482 PolarHBondContact O-N 2.87Å | ||
| 483 | V | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 134 | 170.6 | -166.6 | 0 | 0 | 0 | 0 | 108.2 | S435 A436 G452 D453 S457 V458 H478 F486 V496 | S435-V483 CarbonylContact C-O 3.56Å; S435-V483 WeakPolarHBondContact CB-O 2.93Å; S435-V483 PolarHBondContact OG-N 2.84Å; S435-V483 PolarHBondContact OG-O 3.31Å; A436-V483 HydrophobicContact CB-CB 4.4Å; A436-V483 HydrophobicContact CB-CG1 4.3Å; G452-V483 VanDerWaalsContact CA-CG2 3.5Å; D453-V483 PolarHBondContact O-N 2.98Å; S457-V483 WeakPolarHBondContact O-CG2 3.39Å; V458-V483 HydrophobicContact CG2-CG2 3.96Å; H478-V483 HydrophobicContact CB-CG2 4.31Å; V483-F486 HydrophobicContact CB-CZ 4.46Å; V483-F486 HydrophobicContact CG1-CD2 4.46Å; V483-F486 HydrophobicContact CG1-CE1 4.2Å; V483-F486 HydrophobicContact CG1-CE2 3.83Å; V483-F486 HydrophobicContact CG1-CZ 3.68Å; V483-V496 VanDerWaalsContact CG1-O 3.22Å; V483-V496 WeakPolarHBondContact CG1-O 3.13Å |
| 484 | T | 92.9 | Very high | 89.6 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -38.8 | -177.1 | 45.6 | 0 | 0 | 0 | 0 | 113.2 | V496 R498 P529 D530 | T484-V496 PolarHBondContact N-O 3.29Å; T484-V496 WeakPolarHBondContact OG1-CG2 3.08Å; T484-V496 PolarHBondContact OG1-O 3.19Å; T484-R498 HydrophobicContact CG2-CG 3.36Å; T484-P529 VanDerWaalsContact CB-O 3.31Å; T484-P529 WeakPolarHBondContact CB-O 3.33Å; T484-P529 VanDerWaalsContact CG2-O 3.28Å; T484-P529 WeakPolarHBondContact CG2-O 3.41Å; T484-P529 PolarHBondContact OG1-O 3.22Å; T484-D530 CarbonylContact C-O 3.6Å; T484-D530 WeakPolarHBondContact CB-O 3.36Å |
| 485 | D | 95.3 | Very high | 89.7 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 161.2 | 178 | -155.7 | 17.8 | 0 | 0 | 0 | 113 | S495 V496 D530 R531 F532 | D485-S495 WeakPolarHBondContact O-CA 3.44Å; D485-V496 HydrophobicContact CB-CG2 4.01Å; D485-V496 PolarHBondContact O-N 2.78Å; D485-V496 VanDerWaalsContact O-N 3.14Å; D485-D530 WeakPolarHBondContact CB-O 3.46Å; D485-R531 WeakPolarHBondContact OD2-CA 3.13Å; D485-R531 WeakPolarHBondContact OD2-CG 3.37Å; D485-F532 HydrophobicContact CB-CD2 4.1Å; D485-F532 PolarHBondContact OD2-N 3.41Å |
| 486 | F | 96.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.8 | 170 | -66 | -83.9 | 0 | 0 | 0 | 110.6 | A436 I438 I450 V458 V483 L493 C494 | A436-F486 HydrophobicContact CB-CD2 3.73Å; A436-F486 HydrophobicContact CB-CE2 3.76Å; I438-F486 HydrophobicContact CB-CB 3.84Å; I438-F486 HydrophobicContact CD1-CB 4.28Å; I438-F486 HydrophobicContact CG2-CB 3.46Å; I438-F486 VanDerWaalsContact CG2-CB 3.46Å; I438-F486 HydrophobicContact CG2-CD1 4.38Å; I438-F486 HydrophobicContact CG2-CD2 4.27Å; I438-F486 HydrophobicContact CG2-CG 3.82Å; I450-F486 HydrophobicContact CG2-CD1 4.22Å; I450-F486 HydrophobicContact CG2-CE1 3.63Å; I450-F486 HydrophobicContact CG2-CE2 4.4Å; I450-F486 HydrophobicContact CG2-CZ 3.74Å; V458-F486 HydrophobicContact CG1-CE1 3.92Å; V458-F486 HydrophobicContact CG1-CZ 3.96Å; V458-F486 HydrophobicContact CG2-CE1 4.34Å; V458-F486 HydrophobicContact CG2-CZ 4.22Å; V483-F486 HydrophobicContact CB-CZ 4.46Å; V483-F486 HydrophobicContact CG1-CD2 4.46Å; V483-F486 HydrophobicContact CG1-CE1 4.2Å; V483-F486 HydrophobicContact CG1-CE2 3.83Å; V483-F486 HydrophobicContact CG1-CZ 3.68Å; F486-L493 HydrophobicContact CB-CD1 4.25Å; F486-L493 HydrophobicContact CD1-CD1 4.06Å; F486-C494 VanDerWaalsContact CA-O 3.27Å; F486-C494 WeakPolarHBondContact CA-O 3.49Å |
| 487 | C | 93.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 149 | 174.4 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | L493 C494 F532 | C487-L493 CarbonylContact O-C 3.5Å; C487-C494 PolarHBondContact N-O 3.3Å; C487-C494 PolarHBondContact O-N 3.4Å; C487-F532 HydrophobicContact CB-CB 3.75Å; C487-F532 HydrophobicContact CB-CD1 4.3Å; C487-F532 HydrophobicContact CB-CD2 3.4Å; C487-F532 VanDerWaalsContact CB-CD2 3.4Å; C487-F532 HydrophobicContact CB-CE2 3.97Å; C487-F532 HydrophobicContact CB-CG 3.57Å |
| 488 | V | 92.7 | Very high | 89.7 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 35% | 0.345 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.7 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | I438 V440 L492 L493 | I438-V488 HydrophobicContact CD1-CG2 4.06Å; V440-V488 HydrophobicContact CG1-CG2 4.31Å; V440-V488 HydrophobicContact CG2-CG2 3.68Å; V488-L492 CarbonylContact C-O 3.49Å; V488-L492 WeakPolarHBondContact CA-O 3.41Å; V488-L493 HydrophobicContact CG2-CD1 4.16Å |
| 489 | V | 88.4 | Confident | 89.5 | Confident | 38 Ų | 38 | 42.3 Ų | 42.3 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.8 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | G491 L492 L539 | V489-G491 PolarHBondContact O-N 2.8Å; V489-L492 PolarHBondContact N-O 2.79Å; V489-L492 PolarHBondContact O-N 3.46Å; V489-L539 HydrophobicContact CG2-CD1 4.03Å; V489-L539 HydrophobicContact CG2-CD2 4.06Å |
| 490 | N | 84.8 | Confident | 89.7 | Confident | 161 Ų | 161 | 41.6 Ų | 41.6 | 86% | 0.861 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.8 | 179 | -59.3 | -23.1 | 0 | 0 | 0 | 113.9 | L492 | N490-L492 PolarHBondContact O-N 2.91Š|
| 491 | G | 86.4 | Confident | 90.3 | Very high | 58 Ų | 58 | 33 Ų | 33 | 60% | 0.598 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 4.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | V489 | V489-G491 PolarHBondContact O-N 2.8Š|
| 492 | L | 92.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 29 Ų | 29 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.4 | 170.4 | -64.1 | 173.4 | 0 | 0 | 0 | 109.4 | V488 V489 N490 W505 K506 L517 | V488-L492 CarbonylContact C-O 3.49Å; V488-L492 WeakPolarHBondContact CA-O 3.41Å; V489-L492 PolarHBondContact N-O 2.79Å; V489-L492 PolarHBondContact O-N 3.46Å; N490-L492 PolarHBondContact O-N 2.91Å; L492-W505 WeakPolarHBondContact CA-O 3.15Å; L492-K506 HydrophobicContact CD2-CB 4.07Å; L492-K506 HydrophobicContact CD2-CG 4.36Å; L492-L517 HydrophobicContact CD2-CD1 4.34Å |
| 493 | L | 95.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.3 | 165.6 | 166.8 | 72.9 | 0 | 0 | 0 | 107.6 | I438 V440 I450 F460 F486 C487 V488 W505 F514 | I438-L493 HydrophobicContact CG2-CD1 3.95Å; V440-L493 HydrophobicContact CG2-CD1 4.4Å; I450-L493 HydrophobicContact CD1-CD2 4.11Å; I450-L493 HydrophobicContact CG1-CD2 4.02Å; I450-L493 HydrophobicContact CG2-CD2 4.36Å; F460-L493 HydrophobicContact CE1-CD2 4.03Å; F486-L493 HydrophobicContact CB-CD1 4.25Å; F486-L493 HydrophobicContact CD1-CD1 4.06Å; C487-L493 CarbonylContact O-C 3.5Å; V488-L493 HydrophobicContact CG2-CD1 4.16Å; L493-W505 HydrophobicContact CB-CB 3.98Å; L493-W505 HydrophobicContact CB-CG 4.47Å; L493-W505 HydrophobicContact CD2-CB 4.17Å; L493-W505 HydrophobicContact CD2-CG 4.14Å; L493-W505 HydrophobicContact CG-CB 4.24Å; L493-W505 HydrophobicContact CG-CG 4.24Å; L493-W505 PolarHBondContact N-O 3.33Å; L493-W505 PolarHBondContact O-N 2.86Å; L493-F514 HydrophobicContact CB-CD1 4.24Å; L493-F514 HydrophobicContact CB-CE1 3.98Å; L493-F514 HydrophobicContact CD2-CD1 4.09Å; L493-F514 HydrophobicContact CD2-CE1 4.26Å |
| 494 | C | 95.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.054 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.1 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 108.4 | F486 C487 L502 C503 L504 F532 | F486-C494 VanDerWaalsContact CA-O 3.27Å; F486-C494 WeakPolarHBondContact CA-O 3.49Å; C487-C494 PolarHBondContact N-O 3.3Å; C487-C494 PolarHBondContact O-N 3.4Å; C494-L502 HydrophobicContact CB-CD1 4.31Å; C494-C503 CarbonylContact C-O 3.52Å; C494-C503 WeakPolarHBondContact CA-O 3.43Å; C494-L504 HydrophobicContact CB-CD2 4.24Å; C494-L504 WeakPolarHBondContact SG-CD2 3.3Å; C494-F532 HydrophobicContact CB-CE1 4.4Å; C494-F532 HydrophobicContact CB-CE2 4.06Å; C494-F532 HydrophobicContact CB-CZ 3.71Å |
| 495 | S | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146 | 169.9 | 69.7 | 0 | 0 | 0 | 0 | 112 | H478 D485 C503 W505 | H478-S495 PolarHBondContact CE1-O 3.22Å; H478-S495 PolarHBondContact NE2-OG 3.38Å; D485-S495 WeakPolarHBondContact O-CA 3.44Å; S495-C503 PolarHBondContact N-O 2.87Å; S495-C503 PolarHBondContact O-N 2.99Å; S495-W505 PolarHBondContact OG-NE1 2.82Å |
| 496 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.3 | 178.9 | -73.1 | 0 | 0 | 0 | 0 | 111.5 | H478 V483 T484 D485 M501 L502 P529 F532 L541 | H478-V496 VanDerWaalsContact CE1-C 3.47Å; V483-V496 VanDerWaalsContact CG1-O 3.22Å; V483-V496 WeakPolarHBondContact CG1-O 3.13Å; T484-V496 PolarHBondContact N-O 3.29Å; T484-V496 WeakPolarHBondContact OG1-CG2 3.08Å; T484-V496 PolarHBondContact OG1-O 3.19Å; D485-V496 HydrophobicContact CB-CG2 4.01Å; D485-V496 PolarHBondContact O-N 2.78Å; D485-V496 VanDerWaalsContact O-N 3.14Å; V496-M501 WeakPolarHBondContact CA-O 3.49Å; V496-L502 HydrophobicContact CG1-CB 4.42Å; V496-L502 HydrophobicContact CG1-CD1 3.72Å; V496-P529 HydrophobicContact CB-CB 3.76Å; V496-P529 HydrophobicContact CB-CG 4.39Å; V496-P529 HydrophobicContact CG1-CB 4.21Å; V496-P529 HydrophobicContact CG2-CB 4.07Å; V496-F532 HydrophobicContact CB-CE2 4.39Å; V496-F532 HydrophobicContact CB-CZ 4.41Å; V496-F532 HydrophobicContact CG1-CE1 4.28Å; V496-F532 HydrophobicContact CG1-CE2 3.96Å; V496-F532 HydrophobicContact CG1-CZ 3.51Å; V496-F532 HydrophobicContact CG2-CD2 4.27Å; V496-F532 HydrophobicContact CG2-CE2 3.7Å; V496-F532 HydrophobicContact CG2-CZ 4.13Å; V496-L541 HydrophobicContact CG1-CD1 4.37Å; V496-L541 HydrophobicContact CG1-CD2 4.14Å; V496-L541 HydrophobicContact CG2-CD1 4.24Å |
| 497 | G | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 170.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | H478 N499 S500 P529 | H478-G497 PolarHBondContact ND1-N 3.15Å; G497-N499 PolarHBondContact O-N 2.88Å; G497-N499 PolarHBondContact O-OD1 3.35Å; G497-S500 PolarHBondContact O-N 2.67Å; G497-P529 VanDerWaalsContact O-CD 3.3Å; G497-P529 WeakPolarHBondContact O-CD 3.43Å |
| 498 | R | 84.5 | Confident | 91.3 | Very high | 78 Ų | 78 | 38.8 Ų | 38.8 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 38.8 | -177.2 | -37.5 | -178.1 | 155.6 | -177 | -10.6 | 112.7 | H481 T484 W528 | H481-R498 HydrophobicContact CB-CB 3.74Å; H481-R498 HydrophobicContact CB-CG 3.98Å; H481-R498 WeakPolarHBondContact O-CD 3.39Å; T484-R498 HydrophobicContact CG2-CG 3.36Å; R498-W528 HydrophobicContact CB-CG 4.19Å; R498-W528 VanDerWaalsContact CG-CD1 3.43Å; R498-W528 HydrophobicContact CG-CG 4.42Å |
| 499 | N | 84.5 | Confident | 90.9 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 15.9 | 177.9 | 67.6 | -14.3 | 0 | 0 | 0 | 110.9 | H478 G497 M501 | H478-N499 VanDerWaalsContact CA-ND2 3.29Å; H478-N499 WeakPolarHBondContact CA-ND2 3.38Å; H478-N499 VanDerWaalsContact O-CG 3.28Å; H478-N499 PolarHBondContact O-ND2 3.08Å; G497-N499 PolarHBondContact O-N 2.88Å; G497-N499 PolarHBondContact O-OD1 3.35Å; N499-M501 HydrophobicContact CB-CG 4.42Å; N499-M501 VanDerWaalsContact CG-CG 3.48Å; N499-M501 VanDerWaalsContact ND2-CG 3.26Å; N499-M501 WeakPolarHBondContact ND2-CG 3.01Å; N499-M501 PolarHBondContact O-N 2.88Å; N499-M501 VanDerWaalsContact O-N 3.15Å; N499-M501 VanDerWaalsContact OD1-CB 3.27Å; N499-M501 WeakPolarHBondContact OD1-CB 3.28Å; N499-M501 WeakPolarHBondContact OD1-CG 3.2Å; N499-M501 PolarHBondContact OD1-N 3.37Å |
| 500 | S | 86.7 | Confident | 90.8 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 59.7 | 14.6 | -174.5 | -37.5 | 0 | 0 | 0 | 0 | 115.2 | G497 L522 L526 D527 | G497-S500 PolarHBondContact O-N 2.67Å; S500-L522 WeakPolarHBondContact O-CB 3.48Å; S500-L522 PolarHBondContact O-N 3.28Å; S500-L526 VanDerWaalsContact CB-O 3.32Å; S500-L526 WeakPolarHBondContact CB-O 3.21Å; S500-L526 PolarHBondContact OG-O 3Å; S500-D527 PolarHBondContact N-O 3.33Å; S500-D527 WeakPolarHBondContact OG-CA 3.32Å; S500-D527 PolarHBondContact OG-O 3.35Å |
| 501 | M | 90.2 | Very high | 90.7 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.2 | -177.1 | -61.3 | -53.4 | -61.5 | 0 | 0 | 111 | H478 V496 N499 K519 E520 K521 | H478-M501 PolarHBondContact CE1-O 3.46Å; V496-M501 WeakPolarHBondContact CA-O 3.49Å; N499-M501 HydrophobicContact CB-CG 4.42Å; N499-M501 VanDerWaalsContact CG-CG 3.48Å; N499-M501 VanDerWaalsContact ND2-CG 3.26Å; N499-M501 WeakPolarHBondContact ND2-CG 3.01Å; N499-M501 PolarHBondContact O-N 2.88Å; N499-M501 VanDerWaalsContact O-N 3.15Å; N499-M501 VanDerWaalsContact OD1-CB 3.27Å; N499-M501 WeakPolarHBondContact OD1-CB 3.28Å; N499-M501 WeakPolarHBondContact OD1-CG 3.2Å; N499-M501 PolarHBondContact OD1-N 3.37Å; M501-K519 HydrophobicContact CE-CB 4.46Å; M501-K519 HydrophobicContact CE-CD 4.04Å; M501-K519 HydrophobicContact CE-CG 3.25Å; M501-E520 WeakPolarHBondContact CA-O 3.08Å; M501-E520 WeakPolarHBondContact CE-O 3.39Å; M501-K521 HydrophobicContact CE-CB 4.25Å; M501-K521 VanDerWaalsContact SD-CA 3.6Å; M501-K521 HydrophobicContact SD-CB 3.64Å; M501-K521 HydrophobicContact SD-CD 4.49Å; M501-K521 HydrophobicContact SD-CG 3.92Å |
| 502 | L | 92.2 | Very high | 90.7 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.1 | 164.4 | 175.8 | 64.3 | 0 | 0 | 0 | 108.2 | C494 V496 L504 E520 L522 F532 F554 | C494-L502 HydrophobicContact CB-CD1 4.31Å; V496-L502 HydrophobicContact CG1-CB 4.42Å; V496-L502 HydrophobicContact CG1-CD1 3.72Å; L502-L504 HydrophobicContact CD1-CD2 4.43Å; L502-L504 HydrophobicContact CD2-CD2 4.49Å; L502-L504 HydrophobicContact CG-CD2 4.35Å; L502-E520 PolarHBondContact N-O 3.27Å; L502-E520 PolarHBondContact O-N 2.92Å; L502-L522 HydrophobicContact CB-CD2 3.98Å; L502-L522 HydrophobicContact CB-CG 4.09Å; L502-L522 HydrophobicContact CD2-CD2 4.16Å; L502-F532 HydrophobicContact CD1-CE1 4.17Å; L502-F532 HydrophobicContact CD1-CZ 3.71Å; L502-F554 HydrophobicContact CD2-CE1 3.89Å; L502-F554 HydrophobicContact CD2-CZ 4.11Å |
| 503 | C | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | 174.7 | -65 | 0 | 0 | 0 | 0 | 109.5 | L477 C494 S495 W505 L516 S518 | L477-C503 HydrophobicContact CD2-CB 4.22Å; C494-C503 CarbonylContact C-O 3.52Å; C494-C503 WeakPolarHBondContact CA-O 3.43Å; S495-C503 PolarHBondContact N-O 2.87Å; S495-C503 PolarHBondContact O-N 2.99Å; C503-W505 HydrophobicContact CB-CZ2 4.04Å; C503-W505 PolarHBondContact O-NE1 2.81Å; C503-L516 HydrophobicContact CB-CD1 3.76Å; C503-S518 WeakPolarHBondContact CA-O 3.49Å |
| 504 | L | 95.4 | Very high | 90.4 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 20% | 0.199 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.7 | 175.5 | -59.9 | -177.7 | 0 | 0 | 0 | 109.6 | C494 L502 L517 S518 | C494-L504 HydrophobicContact CB-CD2 4.24Å; C494-L504 WeakPolarHBondContact SG-CD2 3.3Å; L502-L504 HydrophobicContact CD1-CD2 4.43Å; L502-L504 HydrophobicContact CD2-CD2 4.49Å; L502-L504 HydrophobicContact CG-CD2 4.35Å; L504-L517 WeakPolarHBondContact O-CB 3.19Å; L504-L517 PolarHBondContact O-N 2.84Å; L504-S518 WeakPolarHBondContact CD1-OG 3.42Å; L504-S518 PolarHBondContact N-O 2.82Å; L504-S518 PolarHBondContact O-N 3.44Å |
| 505 | W | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.9 | -174 | -46.2 | 83.1 | 0 | 0 | 0 | 109.6 | V458 F460 Y474 L477 L492 L493 S495 C503 F514 K515 L516 | V458-W505 HydrophobicContact CB-CH2 4.37Å; V458-W505 HydrophobicContact CB-CZ2 4.39Å; V458-W505 HydrophobicContact CG1-CH2 4.45Å; V458-W505 HydrophobicContact CG1-CZ2 4.33Å; V458-W505 HydrophobicContact CG2-CZ2 4.14Å; F460-W505 HydrophobicContact CE2-CZ3 4.27Å; F460-W505 HydrophobicContact CZ-CD2 4.4Å; F460-W505 HydrophobicContact CZ-CE3 4.02Å; F460-W505 HydrophobicContact CZ-CH2 4.46Å; F460-W505 HydrophobicContact CZ-CZ3 4.06Å; Y474-W505 HydrophobicContact CD1-CH2 4.38Å; Y474-W505 HydrophobicContact CD1-CZ3 4.2Å; Y474-W505 HydrophobicContact CD2-CH2 4.05Å; Y474-W505 AromaticContact CD2-CZ3 3.8Å; Y474-W505 HydrophobicContact CD2-CZ3 3.8Å; Y474-W505 HydrophobicContact CE1-CZ3 4.13Å; Y474-W505 HydrophobicContact CE2-CH2 4.41Å; Y474-W505 AromaticContact CE2-CZ3 3.7Å; Y474-W505 HydrophobicContact CE2-CZ3 3.7Å; Y474-W505 AromaticContact CG-CH2 3.99Å; Y474-W505 HydrophobicContact CG-CH2 3.99Å; Y474-W505 HydrophobicContact CG-CZ3 4.02Å; Y474-W505 AromaticContact CZ-CZ3 3.86Å; L477-W505 HydrophobicContact CD2-CH2 3.32Å; L477-W505 HydrophobicContact CD2-CZ2 3.22Å; L492-W505 WeakPolarHBondContact CA-O 3.15Å; L493-W505 HydrophobicContact CB-CB 3.98Å; L493-W505 HydrophobicContact CB-CG 4.47Å; L493-W505 HydrophobicContact CD2-CB 4.17Å; L493-W505 HydrophobicContact CD2-CG 4.14Å; L493-W505 HydrophobicContact CG-CB 4.24Å; L493-W505 HydrophobicContact CG-CG 4.24Å; L493-W505 PolarHBondContact N-O 3.33Å; L493-W505 PolarHBondContact O-N 2.86Å; S495-W505 PolarHBondContact OG-NE1 2.82Å; C503-W505 HydrophobicContact CB-CZ2 4.04Å; C503-W505 PolarHBondContact O-NE1 2.81Å; W505-F514 HydrophobicContact CB-CD1 4.12Å; W505-K515 WeakPolarHBondContact CA-O 3.47Å; W505-L516 HydrophobicContact CD2-CD1 3.96Å; W505-L516 HydrophobicContact CE3-CB 3.83Å; W505-L516 HydrophobicContact CE3-CD1 3.92Å; W505-L516 HydrophobicContact CE3-CG 4.49Å; W505-L516 HydrophobicContact CH2-CB 4.47Å; W505-L516 HydrophobicContact CH2-CD1 4.02Å; W505-L516 HydrophobicContact CZ2-CD1 4.01Å; W505-L516 HydrophobicContact CZ3-CB 3.72Å; W505-L516 HydrophobicContact CZ3-CD1 3.94Å; W505-L516 HydrophobicContact CZ3-CG 4.35Å |
| 506 | K | 94.1 | Very high | 90.2 | Very high | 122 Ų | 122 | 43.6 Ų | 43.6 | 53% | 0.53 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.3 | 176.7 | -175 | 173.4 | 179.8 | -178.7 | 0 | 109.8 | L492 F514 K515 L517 | L492-K506 HydrophobicContact CD2-CB 4.07Å; L492-K506 HydrophobicContact CD2-CG 4.36Å; K506-F514 WeakPolarHBondContact O-CA 3.06Å; K506-K515 PolarHBondContact N-O 3.31Å; K506-K515 PolarHBondContact O-N 2.83Å; K506-L517 HydrophobicContact CB-CD1 3.94Å; K506-L517 HydrophobicContact CD-CD1 4.1Å |
| 507 | E | 91.7 | Very high | 90.1 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 19% | 0.187 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 134.6 | 171.7 | -171.5 | -170.6 | 163.1 | 0 | 0 | 110.2 | L442 P509 F514 | L442-E507 HydrophobicContact CD2-CG 4.07Å; L442-E507 VanDerWaalsContact CD2-OE1 3.28Å; L442-E507 WeakPolarHBondContact CD2-OE1 3.39Å; L442-E507 WeakPolarHBondContact CD2-OE2 3.37Å; E507-P509 WeakPolarHBondContact O-CD 3.46Å; E507-F514 HydrophobicContact CB-CD1 4.25Å; E507-F514 HydrophobicContact CB-CE1 3.76Å; E507-F514 HydrophobicContact CB-CE2 4.43Å; E507-F514 HydrophobicContact CB-CZ 3.85Å; E507-F514 HydrophobicContact CG-CE1 4.45Å; E507-F514 HydrophobicContact CG-CE2 4.26Å; E507-F514 HydrophobicContact CG-CZ 4.06Å |
| 508 | E | 89.7 | Confident | 90.2 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 110.9 | 167.6 | -172.9 | 70 | -108 | 0 | 0 | 109.1 | S510 T511 G512 S513 K515 | E508-S510 PolarHBondContact O-N 2.93Å; E508-S510 VanDerWaalsContact O-N 3.11Å; E508-T511 WeakPolarHBondContact CB-OG1 3.47Å; E508-T511 PolarHBondContact O-N 2.83Å; E508-G512 WeakPolarHBondContact O-CA 3.32Å; E508-G512 PolarHBondContact O-N 2.97Å; E508-S513 WeakPolarHBondContact CB-O 3.42Å; E508-S513 PolarHBondContact N-O 3.48Å; E508-K515 IonicContact OE2-NZ 3.55Å; E508-K515 PolarHBondContact OE2-NZ 2.79Å |
| 509 | P | 84.3 | Confident | 90.4 | Very high | 88 Ų | 88 | 50.9 Ų | 50.9 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.1 | -169.6 | -25.4 | 34.4 | 0 | 0 | 0 | 114.9 | E507 | E507-P509 WeakPolarHBondContact O-CD 3.46Š|
| 510 | S | 84.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 54.2 Ų | 54.2 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -29.5 | -177.6 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | E508 | E508-S510 PolarHBondContact O-N 2.93Å; E508-S510 VanDerWaalsContact O-N 3.11Å |
| 511 | T | 83.5 | Confident | 90.5 | Very high | 82 Ų | 82 | 60.7 Ų | 60.7 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -16.2 | -174.6 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | E508 S513 | E508-T511 WeakPolarHBondContact CB-OG1 3.47Å; E508-T511 PolarHBondContact O-N 2.83Å; T511-S513 PolarHBondContact O-N 3.19Å; T511-S513 PolarHBondContact OG1-N 3.17Å; T511-S513 PolarHBondContact OG1-OG 2.92Å |
| 512 | G | 85.7 | Confident | 90.1 | Very high | 7 Ų | 7 | 60.5 Ų | 60.5 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 15.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.1 | K448 E508 | K448-G512 WeakPolarHBondContact CD-O 3.46Å; K448-G512 VanDerWaalsContact CE-O 3.26Å; K448-G512 WeakPolarHBondContact CE-O 3.28Å; K448-G512 PolarHBondContact NZ-O 3.34Å; E508-G512 WeakPolarHBondContact O-CA 3.32Å; E508-G512 PolarHBondContact O-N 2.97Å |
| 513 | S | 89.9 | Confident | 88.8 | Confident | 21 Ų | 21 | 70 Ų | 70 | 15% | 0.147 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 151.1 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | E508 T511 | E508-S513 WeakPolarHBondContact CB-O 3.42Å; E508-S513 PolarHBondContact N-O 3.48Å; T511-S513 PolarHBondContact O-N 3.19Å; T511-S513 PolarHBondContact OG1-N 3.17Å; T511-S513 PolarHBondContact OG1-OG 2.92Å |
| 514 | F | 93.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 1% | 0.013 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.7 | -177.2 | -77.3 | -96.6 | 0 | 0 | 0 | 110.9 | V440 L442 K448 F460 Q472 Y474 L493 W505 K506 E507 | V440-F514 HydrophobicContact CB-CZ 4.44Å; V440-F514 HydrophobicContact CG1-CZ 3.98Å; L442-F514 HydrophobicContact CD2-CE2 3.86Å; L442-F514 HydrophobicContact CD2-CZ 3.97Å; K448-F514 HydrophobicContact CB-CE2 4.42Å; K448-F514 HydrophobicContact CD-CD2 3.94Å; K448-F514 HydrophobicContact CD-CE2 3.98Å; K448-F514 HydrophobicContact CG-CE2 4.34Å; F460-F514 HydrophobicContact CD1-CB 4Å; F460-F514 AromaticContact CD1-CD2 3.92Å; F460-F514 HydrophobicContact CD1-CD2 3.92Å; F460-F514 HydrophobicContact CD1-CG 4.2Å; F460-F514 HydrophobicContact CE1-CB 3.41Å; F460-F514 VanDerWaalsContact CE1-CB 3.41Å; F460-F514 AromaticContact CE1-CD2 3.91Å; F460-F514 HydrophobicContact CE1-CD2 3.91Å; F460-F514 AromaticContact CE1-CG 3.72Å; F460-F514 HydrophobicContact CE1-CG 3.72Å; F460-F514 HydrophobicContact CZ-CB 3.88Å; Q472-F514 PolarHBondContact OE1-O 2.87Å; Y474-F514 PolarHBondContact OH-O 2.91Å; Y474-F514 VanDerWaalsContact OH-O 3.12Å; L493-F514 HydrophobicContact CB-CD1 4.24Å; L493-F514 HydrophobicContact CB-CE1 3.98Å; L493-F514 HydrophobicContact CD2-CD1 4.09Å; L493-F514 HydrophobicContact CD2-CE1 4.26Å; W505-F514 HydrophobicContact CB-CD1 4.12Å; K506-F514 WeakPolarHBondContact O-CA 3.06Å; E507-F514 HydrophobicContact CB-CD1 4.25Å; E507-F514 HydrophobicContact CB-CE1 3.76Å; E507-F514 HydrophobicContact CB-CE2 4.43Å; E507-F514 HydrophobicContact CB-CZ 3.85Å; E507-F514 HydrophobicContact CG-CE1 4.45Å; E507-F514 HydrophobicContact CG-CE2 4.26Å; E507-F514 HydrophobicContact CG-CZ 4.06Å |
| 515 | K | 92.7 | Very high | 85.8 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 49% | 0.491 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.3 | 173.4 | -68.9 | 177.1 | -179 | 163.8 | 0 | 109.8 | W505 K506 E508 L517 | W505-K515 WeakPolarHBondContact CA-O 3.47Å; K506-K515 PolarHBondContact N-O 3.31Å; K506-K515 PolarHBondContact O-N 2.83Å; E508-K515 IonicContact OE2-NZ 3.55Å; E508-K515 PolarHBondContact OE2-NZ 2.79Å; K515-L517 PolarHBondContact O-N 3.46Å |
| 516 | L | 94.6 | Very high | 85 | Confident | 59 Ų | 59 | 76 Ų | 76 | 31% | 0.309 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 115.1 | 171.5 | -178 | 64.6 | 0 | 0 | 0 | 108.9 | Y474 L477 C503 W505 S518 | Y474-L516 HydrophobicContact CE1-CB 4.37Å; L477-L516 HydrophobicContact CD1-CD2 4.06Å; C503-L516 HydrophobicContact CB-CD1 3.76Å; W505-L516 HydrophobicContact CD2-CD1 3.96Å; W505-L516 HydrophobicContact CE3-CB 3.83Å; W505-L516 HydrophobicContact CE3-CD1 3.92Å; W505-L516 HydrophobicContact CE3-CG 4.49Å; W505-L516 HydrophobicContact CH2-CB 4.47Å; W505-L516 HydrophobicContact CH2-CD1 4.02Å; W505-L516 HydrophobicContact CZ2-CD1 4.01Å; W505-L516 HydrophobicContact CZ3-CB 3.72Å; W505-L516 HydrophobicContact CZ3-CD1 3.94Å; W505-L516 HydrophobicContact CZ3-CG 4.35Å; L516-S518 WeakPolarHBondContact CD1-O 3.27Å |
| 517 | L | 92.4 | Very high | 84.3 | Confident | 106 Ų | 106 | 73.8 Ų | 73.8 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -48 | -177.4 | -164.3 | 160.4 | 0 | 0 | 0 | 110.7 | L492 L504 K506 K515 | L492-L517 HydrophobicContact CD2-CD1 4.34Å; L504-L517 WeakPolarHBondContact O-CB 3.19Å; L504-L517 PolarHBondContact O-N 2.84Å; K506-L517 HydrophobicContact CB-CD1 3.94Å; K506-L517 HydrophobicContact CD-CD1 4.1Å; K515-L517 PolarHBondContact O-N 3.46Å |
| 518 | S | 92.1 | Very high | 83.9 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.7 | 175.9 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | C503 L504 L516 | C503-S518 WeakPolarHBondContact CA-O 3.49Å; L504-S518 WeakPolarHBondContact CD1-OG 3.42Å; L504-S518 PolarHBondContact N-O 2.82Å; L504-S518 PolarHBondContact O-N 3.44Å; L516-S518 WeakPolarHBondContact CD1-O 3.27Å |
| 519 | K | 90.2 | Very high | 83.9 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 108.9 | 174.7 | 171 | 171.6 | -175.8 | 173.5 | 0 | 107.4 | L477 M501 | L477-K519 HydrophobicContact CD1-CD 4Å; L477-K519 PolarHBondContact O-NZ 3.12Å; M501-K519 HydrophobicContact CE-CB 4.46Å; M501-K519 HydrophobicContact CE-CD 4.04Å; M501-K519 HydrophobicContact CE-CG 3.25Å |
| 520 | E | 86.9 | Confident | 84.1 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.8 | -172.3 | -66.7 | -177.3 | -163.9 | 0 | 0 | 110.8 | M501 L502 L522 | M501-E520 WeakPolarHBondContact CA-O 3.08Å; M501-E520 WeakPolarHBondContact CE-O 3.39Å; L502-E520 PolarHBondContact N-O 3.27Å; L502-E520 PolarHBondContact O-N 2.92Å; E520-L522 PolarHBondContact O-N 2.74Å |
| 521 | K | 86 | Confident | 84.4 | Confident | 144 Ų | 144 | 70 Ų | 70 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 121.6 | 171.2 | -166 | 168.9 | -175.6 | 174.8 | 0 | 107.9 | M501 R523 | M501-K521 HydrophobicContact CE-CB 4.25Å; M501-K521 VanDerWaalsContact SD-CA 3.6Å; M501-K521 HydrophobicContact SD-CB 3.64Å; M501-K521 HydrophobicContact SD-CD 4.49Å; M501-K521 HydrophobicContact SD-CG 3.92Å; K521-R523 PolarHBondContact O-N 2.83Å; K521-R523 VanDerWaalsContact O-N 3.11Å |
| 522 | L | 81 | Confident | 84.9 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 118.5 | 176 | -68.7 | 163.7 | 0 | 0 | 0 | 108.4 | S500 L502 E520 L526 P529 L541 F554 | S500-L522 WeakPolarHBondContact O-CB 3.48Å; S500-L522 PolarHBondContact O-N 3.28Å; L502-L522 HydrophobicContact CB-CD2 3.98Å; L502-L522 HydrophobicContact CB-CG 4.09Å; L502-L522 HydrophobicContact CD2-CD2 4.16Å; E520-L522 PolarHBondContact O-N 2.74Å; L522-L526 HydrophobicContact CD1-CD2 4Å; L522-P529 HydrophobicContact CD1-CB 4.38Å; L522-P529 HydrophobicContact CD1-CG 3.56Å; L522-L541 HydrophobicContact CD1-CD2 3.44Å; L522-L541 VanDerWaalsContact CD1-CD2 3.44Å; L522-L541 HydrophobicContact CD2-CD2 4.26Å; L522-F554 HydrophobicContact CD2-CE1 3.79Å; L522-F554 HydrophobicContact CD2-CZ 4.05Å |
| 523 | R | 66.5 | Low | 84.9 | Confident | 215 Ų | 215 | 69.3 Ų | 69.3 | 81% | 0.811 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 145.2 | 178.5 | -64.8 | -172.4 | -177.8 | -162.8 | 1.6 | 108.9 | K521 | K521-R523 PolarHBondContact O-N 2.83Å; K521-R523 VanDerWaalsContact O-N 3.11Å |
| 524 | K | 61.6 | Low | 84.5 | Confident | 144 Ų | 144 | 74 Ų | 74 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 61.1 | 88.2 | 171.3 | -62 | -178.6 | 174.2 | -174.9 | 0 | 114.3 | ||
| 525 | G | 64.3 | Low | 83.6 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 77.7 | 31.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | H545 L550 | G525-H545 VanDerWaalsContact CA-CD2 3.49Å; G525-H545 WeakPolarHBondContact CA-CD2 3Å; G525-H545 VanDerWaalsContact CA-CG 3.41Å; G525-H545 WeakPolarHBondContact O-CB 3.43Å; G525-L550 VanDerWaalsContact O-CD2 3.28Å; G525-L550 WeakPolarHBondContact O-CD2 3.37Å |
| 526 | L | 79.4 | Confident | 82.4 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | trans | -129.1 | 74.4 | 165.3 | -153 | 81.4 | 0 | 0 | 0 | 109.8 | S500 L522 W528 P529 L541 L550 | S500-L526 VanDerWaalsContact CB-O 3.32Å; S500-L526 WeakPolarHBondContact CB-O 3.21Å; S500-L526 PolarHBondContact OG-O 3Å; L522-L526 HydrophobicContact CD1-CD2 4Å; L526-W528 PolarHBondContact O-N 2.97Å; L526-P529 HydrophobicContact CD2-CB 3.94Å; L526-P529 HydrophobicContact CD2-CG 3.89Å; L526-P529 HydrophobicContact CG-CG 4.35Å; L526-L541 HydrophobicContact CD2-CB 4.28Å; L526-L541 HydrophobicContact CD2-CD2 3.32Å; L526-L541 HydrophobicContact CD2-CG 3.47Å; L526-L541 VanDerWaalsContact CD2-CG 3.47Å; L526-L550 HydrophobicContact CD1-CD1 3.4Å; L526-L550 HydrophobicContact CD1-CG 3.94Å | ||
| 527 | D | 79.9 | Confident | 81.1 | Confident | 77 Ų | 77 | 84.8 Ų | 84.8 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -61.5 | -36.2 | 179 | -59.9 | -29.5 | 0 | 0 | 0 | 110.3 | S500 P529 F544 H545 G546 | S500-D527 PolarHBondContact N-O 3.33Å; S500-D527 WeakPolarHBondContact OG-CA 3.32Å; S500-D527 PolarHBondContact OG-O 3.35Å; D527-P529 WeakPolarHBondContact O-CD 3.36Å; D527-F544 PolarHBondContact N-O 2.89Å; D527-F544 VanDerWaalsContact N-O 3.17Å; D527-H545 IonicContact OD1-CE1 3.93Å; D527-H545 IonicContact OD1-ND1 3.56Å; D527-H545 PolarHBondContact OD1-ND1 3.12Å; D527-H545 IonicContact OD2-CE1 2.79Å; D527-H545 PolarHBondContact OD2-CE1 2.89Å; D527-H545 IonicContact OD2-CG 2.64Å; D527-H545 IonicContact OD2-ND1 3.6Å; D527-H545 PolarHBondContact OD2-ND1 3.03Å; D527-G546 PolarHBondContact OD2-N 3.25Å |
| 528 | W | 83.3 | Confident | 80.5 | Confident | 26 Ų | 26 | 81 Ų | 81 | 10% | 0.098 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 79.5 | -171.5 | -163.2 | -18.7 | 0 | 0 | 0 | 112.1 | R498 L526 D530 G543 F544 G568 H569 | R498-W528 HydrophobicContact CB-CG 4.19Å; R498-W528 VanDerWaalsContact CG-CD1 3.43Å; R498-W528 HydrophobicContact CG-CG 4.42Å; L526-W528 PolarHBondContact O-N 2.97Å; W528-D530 PolarHBondContact O-N 3.16Å; W528-G543 CarbonylContact O-C 3.47Å; W528-G543 WeakPolarHBondContact O-CA 3.48Å; W528-F544 HydrophobicContact CB-CB 4.1Å; W528-F544 HydrophobicContact CG-CD2 4.5Å; W528-F544 PolarHBondContact N-O 2.91Å; W528-F544 PolarHBondContact O-N 2.97Å; W528-G568 WeakPolarHBondContact CH2-O 3.42Å; W528-H569 HydrophobicContact CH2-CB 4.2Å; W528-H569 AromaticContact CH2-CD2 3.75Å; W528-H569 AromaticContact CH2-CE1 3.6Å; W528-H569 AromaticContact CH2-CG 3.56Å; W528-H569 AromaticContact CH2-ND1 3.5Å; W528-H569 AromaticContact CH2-NE2 3.71Å; W528-H569 HydrophobicContact CZ3-CB 4.02Å; W528-H569 AromaticContact CZ3-CD2 3.21Å; W528-H569 WeakPolarHBondContact CZ3-CD2 3.48Å; W528-H569 AromaticContact CZ3-CE1 3.8Å; W528-H569 AromaticContact CZ3-CG 3.41Å; W528-H569 VanDerWaalsContact CZ3-CG 3.41Å; W528-H569 AromaticContact CZ3-ND1 3.81Å; W528-H569 AromaticContact CZ3-NE2 3.41Å; W528-H569 WeakPolarHBondContact CZ3-NE2 3.44Å |
| 529 | P | 89.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 133.4 | 167.8 | -21.1 | 30.7 | 0 | 0 | 0 | 111.5 | T484 V496 G497 L522 L526 D527 L541 | T484-P529 VanDerWaalsContact CB-O 3.31Å; T484-P529 WeakPolarHBondContact CB-O 3.33Å; T484-P529 VanDerWaalsContact CG2-O 3.28Å; T484-P529 WeakPolarHBondContact CG2-O 3.41Å; T484-P529 PolarHBondContact OG1-O 3.22Å; V496-P529 HydrophobicContact CB-CB 3.76Å; V496-P529 HydrophobicContact CB-CG 4.39Å; V496-P529 HydrophobicContact CG1-CB 4.21Å; V496-P529 HydrophobicContact CG2-CB 4.07Å; G497-P529 VanDerWaalsContact O-CD 3.3Å; G497-P529 WeakPolarHBondContact O-CD 3.43Å; L522-P529 HydrophobicContact CD1-CB 4.38Å; L522-P529 HydrophobicContact CD1-CG 3.56Å; L526-P529 HydrophobicContact CD2-CB 3.94Å; L526-P529 HydrophobicContact CD2-CG 3.89Å; L526-P529 HydrophobicContact CG-CG 4.35Å; D527-P529 WeakPolarHBondContact O-CD 3.36Å; P529-L541 HydrophobicContact CB-CD1 4.29Å; P529-L541 HydrophobicContact CB-CD2 4.09Å; P529-L541 HydrophobicContact CB-CG 4.4Å; P529-L541 HydrophobicContact CG-CD2 4.49Å |
| 530 | D | 89.3 | Confident | 80.3 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -51.2 | 178.7 | -169.5 | 61.3 | 0 | 0 | 0 | 112.5 | T484 D485 W528 A542 F544 | T484-D530 CarbonylContact C-O 3.6Å; T484-D530 WeakPolarHBondContact CB-O 3.36Å; D485-D530 WeakPolarHBondContact CB-O 3.46Å; W528-D530 PolarHBondContact O-N 3.16Å; D530-A542 PolarHBondContact N-O 2.92Å; D530-F544 HydrophobicContact CB-CE2 4.45Å |
| 531 | R | 91 | Very high | 80.5 | Confident | 136 Ų | 136 | 72.2 Ų | 72.2 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 136.4 | -172.5 | -176.2 | 172.7 | -65.3 | -79.9 | -2 | 113.6 | D485 A542 | D485-R531 WeakPolarHBondContact OD2-CA 3.13Å; D485-R531 WeakPolarHBondContact OD2-CG 3.37Å; R531-A542 PolarHBondContact N-O 3.13Å; R531-A542 VanDerWaalsContact N-O 3.09Å; R531-A542 PolarHBondContact O-N 2.89Å |
| 532 | F | 92.2 | Very high | 80.7 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 139.2 | 169.1 | -71.4 | -74.3 | 0 | 0 | 0 | 111.2 | D485 C487 C494 V496 L502 L539 L541 F554 | D485-F532 HydrophobicContact CB-CD2 4.1Å; D485-F532 PolarHBondContact OD2-N 3.41Å; C487-F532 HydrophobicContact CB-CB 3.75Å; C487-F532 HydrophobicContact CB-CD1 4.3Å; C487-F532 HydrophobicContact CB-CD2 3.4Å; C487-F532 VanDerWaalsContact CB-CD2 3.4Å; C487-F532 HydrophobicContact CB-CE2 3.97Å; C487-F532 HydrophobicContact CB-CG 3.57Å; C494-F532 HydrophobicContact CB-CE1 4.4Å; C494-F532 HydrophobicContact CB-CE2 4.06Å; C494-F532 HydrophobicContact CB-CZ 3.71Å; V496-F532 HydrophobicContact CB-CE2 4.39Å; V496-F532 HydrophobicContact CB-CZ 4.41Å; V496-F532 HydrophobicContact CG1-CE1 4.28Å; V496-F532 HydrophobicContact CG1-CE2 3.96Å; V496-F532 HydrophobicContact CG1-CZ 3.51Å; V496-F532 HydrophobicContact CG2-CD2 4.27Å; V496-F532 HydrophobicContact CG2-CE2 3.7Å; V496-F532 HydrophobicContact CG2-CZ 4.13Å; L502-F532 HydrophobicContact CD1-CE1 4.17Å; L502-F532 HydrophobicContact CD1-CZ 3.71Å; F532-L539 HydrophobicContact CB-CD1 4.3Å; F532-L539 HydrophobicContact CD1-CD1 3.91Å; F532-L539 HydrophobicContact CD1-CD2 4.28Å; F532-L539 HydrophobicContact CD1-CG 4.31Å; F532-L539 HydrophobicContact CE1-CD2 4.34Å; F532-L539 HydrophobicContact CG-CD1 4.49Å; F532-L541 HydrophobicContact CD1-CD1 3.83Å; F532-L541 HydrophobicContact CE1-CD1 3.99Å; F532-L541 HydrophobicContact CG-CD1 4.18Å; F532-L541 HydrophobicContact CZ-CD1 4.47Å; F532-F554 HydrophobicContact CE1-CE2 4.37Å |
| 533 | V | 86.9 | Confident | 81.1 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 110.6 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | S535 Q540 A542 | V533-S535 PolarHBondContact O-N 3.31Å; V533-Q540 HydrophobicContact CB-CB 4.31Å; V533-Q540 PolarHBondContact N-O 2.82Å; V533-Q540 PolarHBondContact O-N 3.5Å; V533-A542 HydrophobicContact CG2-CB 4.31Å |
| 534 | I | 81.7 | Confident | 81.9 | Confident | 120 Ų | 120 | 56.3 Ų | 56.3 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 111.8 | 173 | -59.7 | 170.3 | 0 | 0 | 0 | 107.7 | L539 | I534-L539 HydrophobicContact CG1-CD1 3.94Å |
| 535 | S | 72.9 | Confident | 82.6 | Confident | 38 Ų | 38 | 53 Ų | 53 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 171.2 | 176.6 | 80.7 | 0 | 0 | 0 | 0 | 110.9 | V533 Q537 G538 | V533-S535 PolarHBondContact O-N 3.31Å; S535-Q537 PolarHBondContact O-N 3.04Å; S535-Q537 PolarHBondContact OG-N 3.45Å; S535-Q537 VanDerWaalsContact OG-N 3.07Å; S535-G538 PolarHBondContact N-O 3.4Å; S535-G538 PolarHBondContact O-N 3.04Å; S535-G538 PolarHBondContact OG-N 2.75Å; S535-G538 PolarHBondContact OG-O 2.67Å |
| 536 | K | 69.1 | Low | 82.9 | Confident | 227 Ų | 227 | 54.2 Ų | 54.2 | 99% | 0.987 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -21.6 | 169.9 | -68.3 | -171.1 | 178.6 | -173.8 | 0 | 113.2 | ||
| 537 | Q | 66.6 | Low | 82.2 | Confident | 136 Ų | 136 | 57.5 Ų | 57.5 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11.2 | -178 | -66.3 | 179.2 | -22.1 | 0 | 0 | 112.6 | S535 Q555 | S535-Q537 PolarHBondContact O-N 3.04Å; S535-Q537 PolarHBondContact OG-N 3.45Å; S535-Q537 VanDerWaalsContact OG-N 3.07Å; Q537-Q555 PolarHBondContact O-OE1 3.04Å |
| 538 | G | 80 | Confident | 81.8 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 27% | 0.268 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.7 | -173.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | S535 | S535-G538 PolarHBondContact N-O 3.4Å; S535-G538 PolarHBondContact O-N 3.04Å; S535-G538 PolarHBondContact OG-N 2.75Å; S535-G538 PolarHBondContact OG-O 2.67Å |
| 539 | L | 88.6 | Confident | 81.6 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129 | 175.4 | -177.6 | 66.8 | 0 | 0 | 0 | 110 | V489 F532 I534 F554 | V489-L539 HydrophobicContact CG2-CD1 4.03Å; V489-L539 HydrophobicContact CG2-CD2 4.06Å; F532-L539 HydrophobicContact CB-CD1 4.3Å; F532-L539 HydrophobicContact CD1-CD1 3.91Å; F532-L539 HydrophobicContact CD1-CD2 4.28Å; F532-L539 HydrophobicContact CD1-CG 4.31Å; F532-L539 HydrophobicContact CE1-CD2 4.34Å; F532-L539 HydrophobicContact CG-CD1 4.49Å; I534-L539 HydrophobicContact CG1-CD1 3.94Å; L539-F554 HydrophobicContact CB-CD2 4.26Å; L539-F554 HydrophobicContact CD2-CD2 3.91Å; L539-F554 HydrophobicContact CD2-CE2 3.95Å; L539-F554 HydrophobicContact CG-CD2 3.89Å; L539-F554 HydrophobicContact CG-CE2 4.08Å; L539-F554 WeakPolarHBondContact O-CD2 3.02Å; L539-F554 PolarHBondContact O-N 3.3Å |
| 540 | Q | 89.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 160.5 | 172.8 | -64.1 | -178.6 | -9.8 | 0 | 0 | 110.1 | V533 Y552 D553 | V533-Q540 HydrophobicContact CB-CB 4.31Å; V533-Q540 PolarHBondContact N-O 2.82Å; V533-Q540 PolarHBondContact O-N 3.5Å; Q540-Y552 CarbonylContact C-O 3.51Å; Q540-Y552 WeakPolarHBondContact CA-O 3.32Å; Q540-Y552 WeakPolarHBondContact CB-O 3.35Å; Q540-D553 HydrophobicContact CG-CB 4.14Å; Q540-D553 PolarHBondContact NE2-OD2 3.31Å |
| 541 | L | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 118.8 | 177.1 | -177.2 | 60.5 | 0 | 0 | 0 | 109.2 | V496 L522 L526 P529 F532 T551 Y552 F554 | V496-L541 HydrophobicContact CG1-CD1 4.37Å; V496-L541 HydrophobicContact CG1-CD2 4.14Å; V496-L541 HydrophobicContact CG2-CD1 4.24Å; L522-L541 HydrophobicContact CD1-CD2 3.44Å; L522-L541 VanDerWaalsContact CD1-CD2 3.44Å; L522-L541 HydrophobicContact CD2-CD2 4.26Å; L526-L541 HydrophobicContact CD2-CB 4.28Å; L526-L541 HydrophobicContact CD2-CD2 3.32Å; L526-L541 HydrophobicContact CD2-CG 3.47Å; L526-L541 VanDerWaalsContact CD2-CG 3.47Å; P529-L541 HydrophobicContact CB-CD1 4.29Å; P529-L541 HydrophobicContact CB-CD2 4.09Å; P529-L541 HydrophobicContact CB-CG 4.4Å; P529-L541 HydrophobicContact CG-CD2 4.49Å; F532-L541 HydrophobicContact CD1-CD1 3.83Å; F532-L541 HydrophobicContact CE1-CD1 3.99Å; F532-L541 HydrophobicContact CG-CD1 4.18Å; F532-L541 HydrophobicContact CZ-CD1 4.47Å; L541-T551 WeakPolarHBondContact O-CA 3.31Å; L541-Y552 PolarHBondContact N-O 3.47Å; L541-Y552 PolarHBondContact O-N 3.36Å; L541-F554 HydrophobicContact CB-CE2 3.83Å; L541-F554 HydrophobicContact CB-CZ 4.13Å; L541-F554 HydrophobicContact CD2-CZ 4.03Å |
| 542 | A | 90.2 | Very high | 80.6 | Confident | 8 Ų | 8 | 51.6 Ų | 51.6 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | D530 R531 V533 F549 L550 T551 | D530-A542 PolarHBondContact N-O 2.92Å; R531-A542 PolarHBondContact N-O 3.13Å; R531-A542 VanDerWaalsContact N-O 3.09Å; R531-A542 PolarHBondContact O-N 2.89Å; V533-A542 HydrophobicContact CG2-CB 4.31Å; A542-F549 HydrophobicContact CB-CE2 4.08Å; A542-F549 HydrophobicContact CB-CZ 3.83Å; A542-L550 WeakPolarHBondContact CA-O 3.4Å; A542-T551 HydrophobicContact CB-CG2 4.2Å |
| 543 | G | 88.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | -165.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W528 F549 L550 | W528-G543 CarbonylContact O-C 3.47Å; W528-G543 WeakPolarHBondContact O-CA 3.48Å; G543-F549 WeakPolarHBondContact O-CA 3.36Å; G543-F549 WeakPolarHBondContact O-CD2 3.4Å; G543-L550 PolarHBondContact N-O 3.2Å; G543-L550 PolarHBondContact O-N 2.94Å |
| 544 | F | 83.4 | Confident | 79.8 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 151.4 | -175.7 | -52.8 | -94.6 | 0 | 0 | 0 | 112.5 | D527 W528 D530 K548 F549 | D527-F544 PolarHBondContact N-O 2.89Å; D527-F544 VanDerWaalsContact N-O 3.17Å; W528-F544 HydrophobicContact CB-CB 4.1Å; W528-F544 HydrophobicContact CG-CD2 4.5Å; W528-F544 PolarHBondContact N-O 2.91Å; W528-F544 PolarHBondContact O-N 2.97Å; D530-F544 HydrophobicContact CB-CE2 4.45Å; F544-K548 CarbonylContact C-O 3.49Å; F544-K548 WeakPolarHBondContact CA-O 3.3Å; F544-F549 HydrophobicContact CD1-CB 4Å; F544-F549 HydrophobicContact CD1-CD2 4.2Å; F544-F549 HydrophobicContact CE1-CB 3.96Å; F544-F549 AromaticContact CE1-CD2 3.82Å; F544-F549 HydrophobicContact CE1-CD2 3.82Å; F544-F549 HydrophobicContact CE1-CG 4.39Å; F544-F549 HydrophobicContact CE2-CD2 4.42Å; F544-F549 AromaticContact CZ-CD2 3.94Å; F544-F549 HydrophobicContact CZ-CD2 3.94Å |
| 545 | H | 77 | Confident | 79.6 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 35% | 0.347 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 117.1 | 172.4 | 177.1 | 52.5 | 0 | 0 | 0 | 109.7 | G525 D527 D547 K548 L550 | G525-H545 VanDerWaalsContact CA-CD2 3.49Å; G525-H545 WeakPolarHBondContact CA-CD2 3Å; G525-H545 VanDerWaalsContact CA-CG 3.41Å; G525-H545 WeakPolarHBondContact O-CB 3.43Å; D527-H545 IonicContact OD1-CE1 3.93Å; D527-H545 IonicContact OD1-ND1 3.56Å; D527-H545 PolarHBondContact OD1-ND1 3.12Å; D527-H545 IonicContact OD2-CE1 2.79Å; D527-H545 PolarHBondContact OD2-CE1 2.89Å; D527-H545 IonicContact OD2-CG 2.64Å; D527-H545 IonicContact OD2-ND1 3.6Å; D527-H545 PolarHBondContact OD2-ND1 3.03Å; H545-D547 PolarHBondContact O-N 3.21Å; H545-D547 VanDerWaalsContact O-N 3.12Å; H545-K548 PolarHBondContact N-O 2.94Å; H545-K548 PolarHBondContact O-N 3.45Å; H545-L550 HydrophobicContact CB-CD2 4.2Å |
| 546 | G | 71.4 | Confident | 79.5 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | -118.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D527 G567 | D527-G546 PolarHBondContact OD2-N 3.25Å; G546-G567 WeakPolarHBondContact O-CA 3.3Å |
| 547 | D | 64.7 | Low | 79.7 | Confident | 72 Ų | 72 | 51 Ų | 51 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4 | -179.5 | 73.9 | -43.9 | 0 | 0 | 0 | 114.3 | H545 C565 G566 G567 | H545-D547 PolarHBondContact O-N 3.21Å; H545-D547 VanDerWaalsContact O-N 3.12Å; D547-C565 CarbonylContact O-C 3.56Å; D547-C565 PolarHBondContact O-N 3.35Å; D547-G566 WeakPolarHBondContact O-CA 3.47Å; D547-G566 PolarHBondContact O-N 2.86Å; D547-G567 PolarHBondContact O-N 2.97Å |
| 548 | K | 71.5 | Confident | 79.8 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 27% | 0.265 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.2 | -173.7 | -59.3 | -178.8 | 178.9 | -179.6 | 0 | 112.6 | F544 H545 E562 I563 | F544-K548 CarbonylContact C-O 3.49Å; F544-K548 WeakPolarHBondContact CA-O 3.3Å; H545-K548 PolarHBondContact N-O 2.94Å; H545-K548 PolarHBondContact O-N 3.45Å; K548-E562 WeakPolarHBondContact CD-OE2 3.4Å; K548-E562 IonicContact NZ-OE2 2.76Å; K548-E562 PolarHBondContact NZ-OE2 2.88Å; K548-I563 CarbonylContact C-O 3.56Å; K548-I563 VanDerWaalsContact CA-O 3.3Å; K548-I563 WeakPolarHBondContact CA-O 3.49Å |
| 549 | F | 78.6 | Confident | 79.6 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 138 | 158.3 | 173.1 | -92.1 | 0 | 0 | 0 | 108.8 | A542 G543 F544 T551 F561 E562 I563 C565 | A542-F549 HydrophobicContact CB-CE2 4.08Å; A542-F549 HydrophobicContact CB-CZ 3.83Å; G543-F549 WeakPolarHBondContact O-CA 3.36Å; G543-F549 WeakPolarHBondContact O-CD2 3.4Å; F544-F549 HydrophobicContact CD1-CB 4Å; F544-F549 HydrophobicContact CD1-CD2 4.2Å; F544-F549 HydrophobicContact CE1-CB 3.96Å; F544-F549 AromaticContact CE1-CD2 3.82Å; F544-F549 HydrophobicContact CE1-CD2 3.82Å; F544-F549 HydrophobicContact CE1-CG 4.39Å; F544-F549 HydrophobicContact CE2-CD2 4.42Å; F544-F549 AromaticContact CZ-CD2 3.94Å; F544-F549 HydrophobicContact CZ-CD2 3.94Å; F549-T551 HydrophobicContact CE1-CG2 4.24Å; F549-T551 HydrophobicContact CZ-CG2 4.47Å; F549-F561 HydrophobicContact CD1-CD1 4.44Å; F549-F561 HydrophobicContact CD1-CE1 4.25Å; F549-F561 HydrophobicContact CE1-CD1 4.45Å; F549-F561 HydrophobicContact CE1-CE1 4.44Å; F549-E562 CarbonylContact O-C 3.57Å; F549-E562 WeakPolarHBondContact O-CA 3.49Å; F549-I563 HydrophobicContact CB-CG2 3.86Å; F549-I563 HydrophobicContact CD1-CG2 3.97Å; F549-I563 HydrophobicContact CG-CG2 4.39Å; F549-I563 PolarHBondContact N-O 2.81Å; F549-I563 PolarHBondContact O-N 3.07Å; F549-C565 VanDerWaalsContact CB-SG 3.58Å; F549-C565 PolarHBondContact N-SG 3.05Å |
| 550 | L | 80.6 | Confident | 78.7 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.5 | 177.8 | 69.9 | 80.9 | 0 | 0 | 0 | 113.5 | G525 L526 A542 G543 H545 A559 F561 E562 | G525-L550 VanDerWaalsContact O-CD2 3.28Å; G525-L550 WeakPolarHBondContact O-CD2 3.37Å; L526-L550 HydrophobicContact CD1-CD1 3.4Å; L526-L550 HydrophobicContact CD1-CG 3.94Å; A542-L550 WeakPolarHBondContact CA-O 3.4Å; G543-L550 PolarHBondContact N-O 3.2Å; G543-L550 PolarHBondContact O-N 2.94Å; H545-L550 HydrophobicContact CB-CD2 4.2Å; L550-A559 HydrophobicContact CD1-CB 4.08Å; L550-A559 HydrophobicContact CD2-CB 4.2Å; L550-F561 CarbonylContact C-O 3.47Å; L550-F561 WeakPolarHBondContact CA-O 3.48Å; L550-F561 WeakPolarHBondContact CB-O 3.27Å; L550-E562 HydrophobicContact CB-CB 4.41Å; L550-E562 HydrophobicContact CB-CG 3.79Å; L550-E562 HydrophobicContact CD2-CG 4.19Å |
| 551 | T | 84.5 | Confident | 77.9 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121 | 169.1 | 65.2 | 0 | 0 | 0 | 0 | 109.9 | L541 A542 F549 A559 V560 F561 | L541-T551 WeakPolarHBondContact O-CA 3.31Å; A542-T551 HydrophobicContact CB-CG2 4.2Å; F549-T551 HydrophobicContact CE1-CG2 4.24Å; F549-T551 HydrophobicContact CZ-CG2 4.47Å; T551-A559 CarbonylContact O-C 3.32Å; T551-A559 WeakPolarHBondContact O-CA 3.47Å; T551-V560 PolarHBondContact O-N 3.29Å; T551-F561 PolarHBondContact N-O 2.88Å; T551-F561 WeakPolarHBondContact OG1-CB 3.35Å |
| 552 | Y | 84.4 | Confident | 76.9 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134 | 178.4 | -173.7 | -96.2 | 0 | 0 | 0 | 110.4 | Q540 L541 F554 Q557 | Q540-Y552 CarbonylContact C-O 3.51Å; Q540-Y552 WeakPolarHBondContact CA-O 3.32Å; Q540-Y552 WeakPolarHBondContact CB-O 3.35Å; L541-Y552 PolarHBondContact N-O 3.47Å; L541-Y552 PolarHBondContact O-N 3.36Å; Y552-F554 HydrophobicContact CD1-CD1 4.28Å; Y552-F554 HydrophobicContact CD1-CE1 4.34Å; Y552-F554 HydrophobicContact CD1-CG 4.47Å; Y552-F554 AromaticContact CE1-CD1 3.99Å; Y552-F554 HydrophobicContact CE1-CD1 3.99Å; Y552-F554 HydrophobicContact CE1-CE1 4.26Å; Y552-F554 HydrophobicContact CE1-CG 4.43Å; Y552-Q557 VanDerWaalsContact CZ-C 3.44Å; Y552-Q557 WeakPolarHBondContact OH-CA 3.47Å; Y552-Q557 PolarHBondContact OH-O 3.11Å |
| 553 | D | 82.7 | Confident | 75.8 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.7 | 176.7 | -174.7 | -66.8 | 0 | 0 | 0 | 110.7 | Q540 Q555 L556 Q557 D558 V560 | Q540-D553 HydrophobicContact CG-CB 4.14Å; Q540-D553 PolarHBondContact NE2-OD2 3.31Å; D553-Q555 VanDerWaalsContact C-N 3.27Å; D553-Q555 PolarHBondContact O-N 3.1Å; D553-Q555 WeakPolarHBondContact OD1-CA 3.11Å; D553-Q555 WeakPolarHBondContact OD1-CB 3.42Å; D553-Q555 PolarHBondContact OD1-N 3.39Å; D553-L556 HydrophobicContact CB-CB 4.25Å; D553-L556 HydrophobicContact CB-CD1 4.41Å; D553-L556 HydrophobicContact CB-CG 4.47Å; D553-L556 PolarHBondContact O-N 2.83Å; D553-L556 PolarHBondContact OD1-N 2.89Å; D553-Q557 VanDerWaalsContact O-CA 3.32Å; D553-Q557 WeakPolarHBondContact O-CA 3.35Å; D553-Q557 PolarHBondContact O-N 3.49Å; D553-D558 PolarHBondContact N-O 2.84Å; D553-D558 PolarHBondContact O-N 2.82Å; D553-V560 HydrophobicContact CB-CG2 3.28Å |
| 554 | F | 80.1 | Confident | 74.6 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 25% | 0.25 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -23.4 | -175.3 | -73.7 | -78.4 | 0 | 0 | 0 | 113.2 | L502 L522 F532 L539 L541 Y552 | L502-F554 HydrophobicContact CD2-CE1 3.89Å; L502-F554 HydrophobicContact CD2-CZ 4.11Å; L522-F554 HydrophobicContact CD2-CE1 3.79Å; L522-F554 HydrophobicContact CD2-CZ 4.05Å; F532-F554 HydrophobicContact CE1-CE2 4.37Å; L539-F554 HydrophobicContact CB-CD2 4.26Å; L539-F554 HydrophobicContact CD2-CD2 3.91Å; L539-F554 HydrophobicContact CD2-CE2 3.95Å; L539-F554 HydrophobicContact CG-CD2 3.89Å; L539-F554 HydrophobicContact CG-CE2 4.08Å; L539-F554 WeakPolarHBondContact O-CD2 3.02Å; L539-F554 PolarHBondContact O-N 3.3Å; L541-F554 HydrophobicContact CB-CE2 3.83Å; L541-F554 HydrophobicContact CB-CZ 4.13Å; L541-F554 HydrophobicContact CD2-CZ 4.03Å; Y552-F554 HydrophobicContact CD1-CD1 4.28Å; Y552-F554 HydrophobicContact CD1-CE1 4.34Å; Y552-F554 HydrophobicContact CD1-CG 4.47Å; Y552-F554 AromaticContact CE1-CD1 3.99Å; Y552-F554 HydrophobicContact CE1-CD1 3.99Å; Y552-F554 HydrophobicContact CE1-CE1 4.26Å; Y552-F554 HydrophobicContact CE1-CG 4.43Å |
| 555 | Q | 76.2 | Confident | 73.6 | Confident | 156 Ų | 156 | 62.1 Ų | 62.1 | 73% | 0.729 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -42.2 | 178.2 | -173 | 174.7 | -4.3 | 0 | 0 | 111.1 | Q537 D553 Q557 | Q537-Q555 PolarHBondContact O-OE1 3.04Å; D553-Q555 VanDerWaalsContact C-N 3.27Å; D553-Q555 PolarHBondContact O-N 3.1Å; D553-Q555 WeakPolarHBondContact OD1-CA 3.11Å; D553-Q555 WeakPolarHBondContact OD1-CB 3.42Å; D553-Q555 PolarHBondContact OD1-N 3.39Å; Q555-Q557 VanDerWaalsContact C-N 3.29Å |
| 556 | L | 70.3 | Confident | 72.6 | Confident | 112 Ų | 112 | 59 Ų | 59 | 59% | 0.586 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -18.2 | 174.8 | -62.6 | 177.4 | 0 | 0 | 0 | 112.8 | D553 D558 | D553-L556 HydrophobicContact CB-CB 4.25Å; D553-L556 HydrophobicContact CB-CD1 4.41Å; D553-L556 HydrophobicContact CB-CG 4.47Å; D553-L556 PolarHBondContact O-N 2.83Å; D553-L556 PolarHBondContact OD1-N 2.89Å; L556-D558 PolarHBondContact O-N 3.1Å |
| 557 | Q | 73.9 | Confident | 72.3 | Confident | 119 Ų | 119 | 57.3 Ų | 57.3 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36 | -171.8 | -61.9 | -170 | -20.3 | 0 | 0 | 113.3 | Y552 D553 Q555 | Y552-Q557 VanDerWaalsContact CZ-C 3.44Å; Y552-Q557 WeakPolarHBondContact OH-CA 3.47Å; Y552-Q557 PolarHBondContact OH-O 3.11Å; D553-Q557 VanDerWaalsContact O-CA 3.32Å; D553-Q557 WeakPolarHBondContact O-CA 3.35Å; D553-Q557 PolarHBondContact O-N 3.49Å; Q555-Q557 VanDerWaalsContact C-N 3.29Å |
| 558 | D | 69.9 | Low | 72.4 | Confident | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 163.6 | -176.6 | -148.5 | -6 | 0 | 0 | 0 | 112.6 | D553 L556 V560 | D553-D558 PolarHBondContact N-O 2.84Å; D553-D558 PolarHBondContact O-N 2.82Å; L556-D558 PolarHBondContact O-N 3.1Å; D558-V560 PolarHBondContact O-N 3.2Å |
| 559 | A | 74.5 | Confident | 71.9 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L550 T551 E562 | L550-A559 HydrophobicContact CD1-CB 4.08Å; L550-A559 HydrophobicContact CD2-CB 4.2Å; T551-A559 CarbonylContact O-C 3.32Å; T551-A559 WeakPolarHBondContact O-CA 3.47Å; A559-E562 HydrophobicContact CB-CG 4.07Å |
| 560 | V | 70.6 | Confident | 70.8 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -29 | -179.7 | -148.9 | 0 | 0 | 0 | 0 | 111.7 | T551 D553 D558 | T551-V560 PolarHBondContact O-N 3.29Å; D553-V560 HydrophobicContact CB-CG2 3.28Å; D558-V560 PolarHBondContact O-N 3.2Å |
| 561 | F | 72.5 | Confident | 69.3 | Low | 88 Ų | 88 | 65 Ų | 65 | 39% | 0.386 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.9 | 178.9 | 177.4 | -98.1 | 0 | 0 | 0 | 109.7 | F549 L550 T551 I563 | F549-F561 HydrophobicContact CD1-CD1 4.44Å; F549-F561 HydrophobicContact CD1-CE1 4.25Å; F549-F561 HydrophobicContact CE1-CD1 4.45Å; F549-F561 HydrophobicContact CE1-CE1 4.44Å; L550-F561 CarbonylContact C-O 3.47Å; L550-F561 WeakPolarHBondContact CA-O 3.48Å; L550-F561 WeakPolarHBondContact CB-O 3.27Å; T551-F561 PolarHBondContact N-O 2.88Å; T551-F561 WeakPolarHBondContact OG1-CB 3.35Å; F561-I563 HydrophobicContact CE1-CB 4.04Å; F561-I563 HydrophobicContact CE1-CG2 3.8Å; F561-I563 HydrophobicContact CZ-CB 4.07Å; F561-I563 HydrophobicContact CZ-CG2 4.24Å |
| 562 | E | 69.2 | Low | 67.5 | Low | 84 Ų | 84 | 67.1 Ų | 67.1 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 140.7 | 174.7 | -65.8 | -173.6 | -168.6 | 0 | 0 | 109.9 | K548 F549 L550 A559 | K548-E562 WeakPolarHBondContact CD-OE2 3.4Å; K548-E562 IonicContact NZ-OE2 2.76Å; K548-E562 PolarHBondContact NZ-OE2 2.88Å; F549-E562 CarbonylContact O-C 3.57Å; F549-E562 WeakPolarHBondContact O-CA 3.49Å; L550-E562 HydrophobicContact CB-CB 4.41Å; L550-E562 HydrophobicContact CB-CG 3.79Å; L550-E562 HydrophobicContact CD2-CG 4.19Å; A559-E562 HydrophobicContact CB-CG 4.07Å |
| 563 | I | 67.6 | Low | 65.6 | Low | 53 Ų | 53 | 69.2 Ų | 69.2 | 27% | 0.272 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 131 | 171.4 | -170.4 | 170.5 | 0 | 0 | 0 | 110.1 | I284 K548 F549 F561 C565 | I284-I563 HydrophobicContact CD1-CB 4.43Å; I284-I563 HydrophobicContact CD1-CD1 4.02Å; I284-I563 HydrophobicContact CD1-CG1 4Å; I284-I563 HydrophobicContact CG2-CD1 3.9Å; K548-I563 CarbonylContact C-O 3.56Å; K548-I563 VanDerWaalsContact CA-O 3.3Å; K548-I563 WeakPolarHBondContact CA-O 3.49Å; F549-I563 HydrophobicContact CB-CG2 3.86Å; F549-I563 HydrophobicContact CD1-CG2 3.97Å; F549-I563 HydrophobicContact CG-CG2 4.39Å; F549-I563 PolarHBondContact N-O 2.81Å; F549-I563 PolarHBondContact O-N 3.07Å; F561-I563 HydrophobicContact CE1-CB 4.04Å; F561-I563 HydrophobicContact CE1-CG2 3.8Å; F561-I563 HydrophobicContact CZ-CB 4.07Å; F561-I563 HydrophobicContact CZ-CG2 4.24Å; I563-C565 PolarHBondContact O-N 3.46Å |
| 564 | C | 62.7 | Low | 63.8 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 57% | 0.574 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 119.9 | 171.7 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 565 | C | 63.1 | Low | 62.2 | Low | 41 Ų | 41 | 83.6 Ų | 83.6 | 28% | 0.277 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -137.7 | 9 | -177.9 | 71.8 | 0 | 0 | 0 | 0 | 113 | D547 F549 I563 V573 | D547-C565 CarbonylContact O-C 3.56Å; D547-C565 PolarHBondContact O-N 3.35Å; F549-C565 VanDerWaalsContact CB-SG 3.58Å; F549-C565 PolarHBondContact N-SG 3.05Å; I563-C565 PolarHBondContact O-N 3.46Å; C565-V573 WeakPolarHBondContact O-CG2 3.47Å |
| 566 | G | 55.1 | Low | 60.9 | Low | 8 Ų | 8 | 81 Ų | 81 | 8% | 0.082 | 44% | 0.435 | C | S | . | . | trans | 75.5 | 10.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D547 R570 | D547-G566 WeakPolarHBondContact O-CA 3.47Å; D547-G566 PolarHBondContact O-N 2.86Å; G566-R570 WeakPolarHBondContact O-CD 3.26Å; G566-R570 PolarHBondContact O-NE 3.19Å; G566-R570 PolarHBondContact O-NH1 2.81Å; G566-R570 PolarHBondContact O-NH2 2.95Å | ||
| 567 | G | 66.1 | Low | 59.8 | Low | 8 Ų | 8 | 76.8 Ų | 76.8 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | trans | 84.3 | 179.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G546 D547 H569 | G546-G567 WeakPolarHBondContact O-CA 3.3Å; D547-G567 PolarHBondContact O-N 2.97Å; G567-H569 PolarHBondContact O-N 3.32Å | ||
| 568 | G | 66.1 | Low | 58.6 | Low | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -12.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | W528 R570 | W528-G568 WeakPolarHBondContact CH2-O 3.42Å; G568-R570 VanDerWaalsContact C-N 3.29Å; G568-R570 PolarHBondContact O-N 3.21Å |
| 569 | H | 61.2 | Low | 57.8 | Low | 109 Ų | 109 | 77.7 Ų | 77.7 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -6 | -175.1 | -85.4 | -67.6 | 0 | 0 | 0 | 113.4 | W528 G567 D849 | W528-H569 HydrophobicContact CH2-CB 4.2Å; W528-H569 AromaticContact CH2-CD2 3.75Å; W528-H569 AromaticContact CH2-CE1 3.6Å; W528-H569 AromaticContact CH2-CG 3.56Å; W528-H569 AromaticContact CH2-ND1 3.5Å; W528-H569 AromaticContact CH2-NE2 3.71Å; W528-H569 HydrophobicContact CZ3-CB 4.02Å; W528-H569 AromaticContact CZ3-CD2 3.21Å; W528-H569 WeakPolarHBondContact CZ3-CD2 3.48Å; W528-H569 AromaticContact CZ3-CE1 3.8Å; W528-H569 AromaticContact CZ3-CG 3.41Å; W528-H569 VanDerWaalsContact CZ3-CG 3.41Å; W528-H569 AromaticContact CZ3-ND1 3.81Å; W528-H569 AromaticContact CZ3-NE2 3.41Å; W528-H569 WeakPolarHBondContact CZ3-NE2 3.44Å; G567-H569 PolarHBondContact O-N 3.32Å; H569-D849 IonicContact CD2-OD2 3.31Å |
| 570 | R | 55.6 | Low | 57.5 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 22% | 0.219 | 43% | 0.434 | C | S | . | . | trans | -109.6 | 131.8 | -158.8 | -57.8 | -171.4 | -174.8 | 158.4 | 15.2 | 114.5 | G566 G568 G572 V573 D874 | G566-R570 WeakPolarHBondContact O-CD 3.26Å; G566-R570 PolarHBondContact O-NE 3.19Å; G566-R570 PolarHBondContact O-NH1 2.81Å; G566-R570 PolarHBondContact O-NH2 2.95Å; G568-R570 VanDerWaalsContact C-N 3.29Å; G568-R570 PolarHBondContact O-N 3.21Å; R570-G572 PolarHBondContact O-N 2.99Å; R570-V573 HydrophobicContact CB-CG2 4.12Å; R570-V573 HydrophobicContact CG-CG2 4.46Å; R570-D874 WeakPolarHBondContact CD-O 3.27Å; R570-D874 PolarHBondContact NE-O 3.07Å; R570-D874 VanDerWaalsContact NE-O 3.11Å | ||
| 571 | N | 49.8 | Very low | 57.6 | Low | 164 Ų | 164 | 77.1 Ų | 77.1 | 88% | 0.877 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -85 | 91.3 | 162.3 | -76.3 | -27.6 | 0 | 0 | 0 | 109.6 | ||
| 572 | G | 45.5 | Very low | 57.1 | Low | 68 Ų | 68 | 76.8 Ų | 76.8 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | trans | 74.4 | 92 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R570 R574 | R570-G572 PolarHBondContact O-N 2.99Å; G572-R574 PolarHBondContact O-N 3.27Å | ||
| 573 | V | 44.6 | Very low | 57.2 | Low | 67 Ų | 67 | 79 Ų | 79 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | trans | -70.2 | 123.8 | 170 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | C565 R570 | C565-V573 WeakPolarHBondContact O-CG2 3.47Å; R570-V573 HydrophobicContact CB-CG2 4.12Å; R570-V573 HydrophobicContact CG-CG2 4.46Å | ||
| 574 | R | 45.6 | Very low | 57.8 | Low | 217 Ų | 217 | 80.3 Ų | 80.3 | 82% | 0.819 | 44% | 0.436 | S | S | * | . | trans | -95 | 125.4 | 157.9 | -67.6 | -171.4 | 178.2 | -163.7 | 0.9 | 108 | G572 L576 | G572-R574 PolarHBondContact O-N 3.27Å; R574-L576 PolarHBondContact O-N 2.79Å | ||
| 575 | I | 47.3 | Very low | 59.2 | Low | 147 Ų | 147 | 76.8 Ų | 76.8 | 75% | 0.754 | 41% | 0.411 | S | S | * | . | trans | -64.8 | 104.6 | 162.6 | -62.5 | 173.4 | 0 | 0 | 0 | 105.5 | A577 | I575-A577 VanDerWaalsContact C-N 3.32Š| ||
| 576 | L | 47.4 | Very low | 60.6 | Low | 101 Ų | 101 | 75.6 Ų | 75.6 | 53% | 0.529 | 40% | 0.402 | S | S | . | . | trans | -67.5 | -36.3 | -178.3 | -69.8 | 171.6 | 0 | 0 | 0 | 111.1 | R574 L619 | R574-L576 PolarHBondContact O-N 2.79Å; L576-L619 HydrophobicContact CB-CB 4.5Å | ||
| 577 | A | 48.2 | Very low | 62.6 | Low | 24 Ų | 24 | 76.4 Ų | 76.4 | 20% | 0.198 | 40% | 0.404 | C | S | . | . | trans | -156.4 | 146 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I575 W613 | I575-A577 VanDerWaalsContact C-N 3.32Å; A577-W613 HydrophobicContact CB-CZ3 3.85Å | ||
| 578 | Q | 48.1 | Very low | 64 | Low | 190 Ų | 190 | 76.1 Ų | 76.1 | 89% | 0.888 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 138.2 | 168.5 | -164.5 | 167.2 | -0.8 | 0 | 0 | 109.3 | ||
| 579 | G | 52.5 | Low | 65.2 | Low | 20 Ų | 20 | 75.8 Ų | 75.8 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 18 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | L621 R624 | G579-L621 WeakPolarHBondContact O-CD2 3.3Å; G579-R624 PolarHBondContact O-NH2 2.96Å |
| 580 | A | 68.6 | Low | 66.5 | Low | 41 Ų | 41 | 72.4 Ų | 72.4 | 34% | 0.339 | 38% | 0.379 | S | S | . | . | trans | -69.3 | 173.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C582 W613 | A580-C582 PolarHBondContact O-N 2.88Å; A580-W613 HydrophobicContact CB-CH2 3.67Å; A580-W613 HydrophobicContact CB-CZ2 4.32Å | ||
| 581 | H | 72.8 | Confident | 67.9 | Low | 23 Ų | 23 | 70.2 Ų | 70.2 | 11% | 0.106 | 37% | 0.371 | C | S | . | . | trans | -52.9 | 134.7 | 174.9 | -73.5 | -64.5 | 0 | 0 | 0 | 110.8 | I585 T603 S605 D607 A609 M611 | H581-I585 HydrophobicContact CB-CD1 4.15Å; H581-I585 HydrophobicContact CB-CG1 3.84Å; H581-T603 PolarHBondContact CD2-OG1 3.32Å; H581-T603 PolarHBondContact NE2-O 3.25Å; H581-T603 PolarHBondContact NE2-OG1 2.83Å; H581-S605 WeakPolarHBondContact ND1-CB 3.19Å; H581-D607 WeakPolarHBondContact CA-OD2 3.45Å; H581-D607 IonicContact CE1-OD1 2.97Å; H581-D607 IonicContact CE1-OD2 2.7Å; H581-D607 IonicContact CG-OD2 3.87Å; H581-D607 IonicContact ND1-OD1 3.25Å; H581-D607 PolarHBondContact ND1-OD1 3.03Å; H581-D607 IonicContact ND1-OD2 2.85Å; H581-D607 PolarHBondContact ND1-OD2 2.7Å; H581-A609 PolarHBondContact CE1-O 2.92Å; H581-M611 HydrophobicContact CB-CE 4.46Å | ||
| 582 | C | 62.1 | Low | 68.8 | Low | 81 Ų | 81 | 70.6 Ų | 70.6 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -96.4 | 0.2 | -178.7 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | A580 D607 | A580-C582 PolarHBondContact O-N 2.88Å; C582-D607 PolarHBondContact N-OD2 3.4Å |
| 583 | R | 70.7 | Confident | 69.4 | Low | 130 Ų | 130 | 68.4 Ų | 68.4 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -137.5 | 173.2 | 176.4 | -64.1 | -176.8 | 175.6 | -89 | -2 | 109.7 | I585 S605 D606 D607 | R583-I585 PolarHBondContact O-N 2.85Å; R583-S605 PolarHBondContact O-OG 3.11Å; R583-S605 VanDerWaalsContact O-OG 3.05Å; R583-D606 HydrophobicContact CB-CB 3.9Å; R583-D606 WeakPolarHBondContact CD-O 3.12Å; R583-D607 HydrophobicContact CB-CB 4.27Å; R583-D607 HydrophobicContact CG-CB 4.3Å |
| 584 | R | 81.1 | Confident | 69.9 | Low | 82 Ų | 82 | 69.5 Ų | 69.5 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | trans | -44.7 | 131.6 | 174.1 | -174.7 | 176.7 | 65.5 | 129.1 | 8.8 | 112 | N586 S605 D606 L879 | R584-N586 PolarHBondContact NH2-OD1 3.09Å; R584-S605 VanDerWaalsContact O-CA 3.27Å; R584-S605 WeakPolarHBondContact O-CA 3.03Å; R584-S605 VanDerWaalsContact O-CB 3.27Å; R584-S605 WeakPolarHBondContact O-CB 3.49Å; R584-S605 PolarHBondContact O-OG 2.99Å; R584-D606 IonicContact CZ-OD2 3.65Å; R584-D606 VanDerWaalsContact CZ-OD2 3.31Å; R584-D606 IonicContact NE-OD2 2.67Å; R584-D606 PolarHBondContact NE-OD2 3.04Å; R584-D606 IonicContact NH2-OD1 3.46Å; R584-D606 PolarHBondContact NH2-OD1 3.4Å; R584-D606 IonicContact NH2-OD2 2.72Å; R584-D606 PolarHBondContact NH2-OD2 2.78Å; R584-D606 PolarHBondContact O-N 3.34Å; R584-D606 VanDerWaalsContact O-N 3.08Å; R584-L879 HydrophobicContact CG-CD1 3.71Å | ||
| 585 | I | 91.4 | Very high | 70.2 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116 | 179.1 | -54.4 | 174.3 | 0 | 0 | 0 | 107 | H581 R583 T603 C604 C895 G896 V899 | H581-I585 HydrophobicContact CB-CD1 4.15Å; H581-I585 HydrophobicContact CB-CG1 3.84Å; R583-I585 PolarHBondContact O-N 2.85Å; I585-T603 HydrophobicContact CG2-CG2 4.26Å; I585-C604 CarbonylContact C-O 3.59Å; I585-C604 VanDerWaalsContact CA-O 3.28Å; I585-C604 WeakPolarHBondContact CA-O 3.47Å; I585-C604 VanDerWaalsContact CG2-O 3.25Å; I585-C604 WeakPolarHBondContact CG2-O 3.21Å; I585-C895 HydrophobicContact CB-CB 4.04Å; I585-C895 HydrophobicContact CG2-CB 3.67Å; I585-G896 WeakPolarHBondContact CB-O 3.48Å; I585-G896 PolarHBondContact N-O 3.28Å; I585-V899 HydrophobicContact CD1-CG2 3.4Å |
| 586 | N | 93.7 | Very high | 70.6 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -35.7 | -170.6 | -64.9 | -52.3 | 0 | 0 | 0 | 112.5 | R584 C604 D606 V632 | R584-N586 PolarHBondContact NH2-OD1 3.09Å; N586-C604 PolarHBondContact N-O 3.28Å; N586-D606 PolarHBondContact ND2-N 3.09Å; N586-D606 PolarHBondContact ND2-OD1 3.46Å; N586-V632 PolarHBondContact ND2-O 3.43Å |
| 587 | D | 96 | Very high | 71.1 | Confident | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158 | -177.2 | -153.4 | 1.2 | 0 | 0 | 0 | 112.7 | T603 C604 C634 L635 S880 | D587-T603 WeakPolarHBondContact O-CA 3.16Å; D587-C604 VanDerWaalsContact CB-SG 3.51Å; D587-C604 PolarHBondContact N-SG 3.49Å; D587-C604 PolarHBondContact O-N 2.83Å; D587-C604 VanDerWaalsContact O-N 3.09Å; D587-C634 WeakPolarHBondContact OD2-CA 3.1Å; D587-L635 HydrophobicContact CB-CB 4.34Å; D587-L635 PolarHBondContact OD2-N 3.03Å; D587-S880 WeakPolarHBondContact OD1-CB 3.41Å; D587-S880 PolarHBondContact OD1-OG 2.66Å |
| 588 | V | 94.9 | Very high | 71.9 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.9 | 177.5 | 64 | 0 | 0 | 0 | 0 | 111 | I601 A602 T603 C882 I893 C895 | V588-I601 HydrophobicContact CG2-CD1 4.49Å; V588-A602 VanDerWaalsContact CA-O 3.31Å; V588-A602 WeakPolarHBondContact CA-O 3.43Å; V588-T603 HydrophobicContact CB-CG2 4.22Å; V588-T603 HydrophobicContact CG2-CG2 3.81Å; V588-C882 HydrophobicContact CG1-CB 4.41Å; V588-I893 HydrophobicContact CG2-CG2 4.06Å; V588-C895 HydrophobicContact CB-CB 4.3Å; V588-C895 HydrophobicContact CG1-CB 4.27Å |
| 589 | C | 91.8 | Very high | 72.7 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.108 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.6 | 174.8 | 70 | 0 | 0 | 0 | 0 | 112.7 | I601 A602 | C589-I601 WeakPolarHBondContact O-CA 3.42Å; C589-A602 PolarHBondContact N-O 3.34Å; C589-A602 PolarHBondContact O-N 2.86Å |
| 590 | F | 88.3 | Confident | 74.2 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 141.9 | 167.8 | -76.8 | -66 | 0 | 0 | 0 | 110.7 | M599 I601 C882 A884 I893 | F590-M599 HydrophobicContact CD1-SD 3.83Å; F590-M599 HydrophobicContact CE1-CB 4.34Å; F590-M599 HydrophobicContact CE1-CE 3.55Å; F590-M599 HydrophobicContact CE1-SD 3.4Å; F590-M599 WeakPolarHBondContact CE1-SD 3.29Å; F590-M599 HydrophobicContact CZ-CE 3.73Å; F590-M599 HydrophobicContact CZ-SD 3.95Å; F590-I601 HydrophobicContact CD1-CG2 3.47Å; F590-I601 VanDerWaalsContact CD1-CG2 3.47Å; F590-I601 HydrophobicContact CE1-CG2 3.53Å; F590-I601 HydrophobicContact CG-CG2 4.4Å; F590-C882 HydrophobicContact CD2-CB 3.65Å; F590-C882 VanDerWaalsContact CD2-SG 3.51Å; F590-C882 HydrophobicContact CE2-CB 3.83Å; F590-C882 WeakPolarHBondContact CE2-SG 3.28Å; F590-A884 HydrophobicContact CD2-CB 4.07Å; F590-A884 HydrophobicContact CE2-CB 3.71Å; F590-A884 HydrophobicContact CZ-CB 4.05Å; F590-I893 HydrophobicContact CE1-CD1 3.51Å; F590-I893 HydrophobicContact CE2-CD1 4.43Å; F590-I893 HydrophobicContact CZ-CD1 3.42Å; F590-I893 VanDerWaalsContact CZ-CD1 3.42Å; F590-I893 HydrophobicContact CZ-CG1 4.15Å |
| 591 | L | 85 | Confident | 75.1 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.4 | 172.9 | -59.3 | 174.5 | 0 | 0 | 0 | 109.3 | S593 L600 A602 L612 I642 F661 | L591-S593 PolarHBondContact O-N 2.85Å; L591-L600 HydrophobicContact CB-CB 3.92Å; L591-L600 HydrophobicContact CD1-CB 4.34Å; L591-L600 PolarHBondContact N-O 3.15Å; L591-A602 HydrophobicContact CD1-CB 4.31Å; L591-A602 HydrophobicContact CG-CB 4.48Å; L591-L612 HydrophobicContact CD1-CD2 3.56Å; L591-I642 HydrophobicContact CD1-CD1 3.84Å; L591-I642 HydrophobicContact CD1-CG1 4.36Å; L591-I642 HydrophobicContact CD2-CD1 4.01Å; L591-I642 HydrophobicContact CD2-CG1 3.62Å; L591-F661 HydrophobicContact CD1-CE2 4.14Å; L591-F661 HydrophobicContact CD1-CZ 4.14Å |
| 592 | K | 69.3 | Low | 76 | Confident | 172 Ų | 172 | 58.1 Ų | 58.1 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | trans | -78.8 | 69.3 | 169 | -65.7 | 177.3 | -177.7 | 172.1 | 0 | 108.9 | ||||
| 593 | S | 59.2 | Low | 77.5 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | trans | -72 | 139.6 | 176 | -178.8 | 0 | 0 | 0 | 0 | 110 | L591 F595 | L591-S593 PolarHBondContact O-N 2.85Å; S593-F595 PolarHBondContact O-N 3.02Å; S593-F595 PolarHBondContact OG-N 3.36Å | ||
| 594 | S | 53.9 | Low | 78.7 | Confident | 89 Ų | 89 | 48 Ų | 48 | 62% | 0.622 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -73.4 | -16.3 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||
| 595 | F | 52.1 | Low | 79 | Confident | 153 Ų | 153 | 44.1 Ų | 44.1 | 67% | 0.671 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -101.1 | -22.1 | -167.7 | -62.7 | -80.2 | 0 | 0 | 0 | 115.4 | S593 | S593-F595 PolarHBondContact O-N 3.02Å; S593-F595 PolarHBondContact OG-N 3.36Å |
| 596 | D | 55.8 | Low | 78.6 | Confident | 46 Ų | 46 | 45.5 Ų | 45.5 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | trans | -123.1 | 128.9 | -177.4 | -155.1 | -20.2 | 0 | 0 | 0 | 109.1 | N598 L600 R614 | D596-N598 PolarHBondContact O-N 3.46Å; D596-N598 WeakPolarHBondContact OD1-CB 3.41Å; D596-N598 PolarHBondContact OD1-N 3.06Å; D596-N598 VanDerWaalsContact OD1-N 3.11Å; D596-L600 HydrophobicContact CB-CD1 3.91Å; D596-R614 IonicContact OD2-CZ 2.89Å; D596-R614 IonicContact OD2-NE 3.13Å; D596-R614 PolarHBondContact OD2-NE 2.83Å; D596-R614 IonicContact OD2-NH2 3.24Å; D596-R614 PolarHBondContact OD2-NH2 2.77Å; D596-R614 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 597 | K | 57.4 | Low | 77.6 | Confident | 211 Ų | 211 | 46.1 Ų | 46.1 | 92% | 0.917 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -75.3 | -15.5 | 174 | -70.9 | -173.8 | 177.4 | -176.7 | 0 | 111.3 | ||
| 598 | N | 65.2 | Low | 76.9 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -81 | 151.6 | -178.9 | -61.6 | 2.6 | 0 | 0 | 0 | 110.6 | D596 L600 R614 D616 | D596-N598 PolarHBondContact O-N 3.46Å; D596-N598 WeakPolarHBondContact OD1-CB 3.41Å; D596-N598 PolarHBondContact OD1-N 3.06Å; D596-N598 VanDerWaalsContact OD1-N 3.11Å; N598-L600 PolarHBondContact O-N 3.06Å; N598-L600 VanDerWaalsContact O-N 3.1Å; N598-R614 HydrophobicContact CB-CG 3.98Å; N598-D616 WeakPolarHBondContact CB-OD1 3.31Å; N598-D616 VanDerWaalsContact CG-OD1 3.27Å; N598-D616 PolarHBondContact ND2-OD1 2.95Å; N598-D616 PolarHBondContact ND2-OD2 2.81Å |
| 599 | M | 65.6 | Low | 76.2 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 17% | 0.172 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 110.4 | 178.3 | -73.9 | -127.7 | -77.8 | 0 | 0 | 110.4 | F590 I615 A884 V886 D891 | F590-M599 HydrophobicContact CD1-SD 3.83Å; F590-M599 HydrophobicContact CE1-CB 4.34Å; F590-M599 HydrophobicContact CE1-CE 3.55Å; F590-M599 HydrophobicContact CE1-SD 3.4Å; F590-M599 WeakPolarHBondContact CE1-SD 3.29Å; F590-M599 HydrophobicContact CZ-CE 3.73Å; F590-M599 HydrophobicContact CZ-SD 3.95Å; M599-I615 PolarHBondContact O-N 3.36Å; M599-A884 HydrophobicContact CE-CB 4.39Å; M599-A884 HydrophobicContact SD-CB 4Å; M599-V886 HydrophobicContact SD-CG2 4.08Å; M599-D891 HydrophobicContact CE-CB 3.57Å; M599-D891 WeakPolarHBondContact CE-OD2 3.44Å |
| 600 | L | 83 | Confident | 76.1 | Confident | 17 Ų | 17 | 45.5 Ų | 45.5 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.9 | 172.8 | -73 | 165.3 | 0 | 0 | 0 | 109.5 | L591 D596 N598 W613 R614 L622 | L591-L600 HydrophobicContact CB-CB 3.92Å; L591-L600 HydrophobicContact CD1-CB 4.34Å; L591-L600 PolarHBondContact N-O 3.15Å; D596-L600 HydrophobicContact CB-CD1 3.91Å; N598-L600 PolarHBondContact O-N 3.06Å; N598-L600 VanDerWaalsContact O-N 3.1Å; L600-W613 WeakPolarHBondContact CA-O 3.44Å; L600-R614 HydrophobicContact CD2-CB 4.46Å; L600-L622 HydrophobicContact CD2-CD1 3.37Å |
| 601 | I | 88.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148 | 173.6 | 62.2 | 158.9 | 0 | 0 | 0 | 111.2 | V588 C589 F590 T603 L612 W613 I615 L619 I893 | V588-I601 HydrophobicContact CG2-CD1 4.49Å; C589-I601 WeakPolarHBondContact O-CA 3.42Å; F590-I601 HydrophobicContact CD1-CG2 3.47Å; F590-I601 VanDerWaalsContact CD1-CG2 3.47Å; F590-I601 HydrophobicContact CE1-CG2 3.53Å; F590-I601 HydrophobicContact CG-CG2 4.4Å; I601-T603 HydrophobicContact CD1-CG2 4.3Å; I601-L612 WeakPolarHBondContact O-CA 3.5Å; I601-W613 HydrophobicContact CD1-CB 4.06Å; I601-W613 HydrophobicContact CD1-CG 4.15Å; I601-W613 HydrophobicContact CG1-CB 3.58Å; I601-W613 HydrophobicContact CG1-CG 4.01Å; I601-W613 PolarHBondContact N-O 2.9Å; I601-W613 PolarHBondContact O-N 2.91Å; I601-I615 HydrophobicContact CD1-CD1 3.96Å; I601-I615 HydrophobicContact CG1-CD1 4.11Å; I601-I615 HydrophobicContact CG1-CG1 4.49Å; I601-I615 HydrophobicContact CG2-CD1 3.92Å; I601-L619 HydrophobicContact CD1-CD1 4.03Å; I601-I893 HydrophobicContact CD1-CD1 4.35Å; I601-I893 HydrophobicContact CG2-CD1 3.59Å |
| 602 | A | 91.9 | Very high | 76.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V588 C589 L591 I610 M611 L612 L635 I642 | V588-A602 VanDerWaalsContact CA-O 3.31Å; V588-A602 WeakPolarHBondContact CA-O 3.43Å; C589-A602 PolarHBondContact N-O 3.34Å; C589-A602 PolarHBondContact O-N 2.86Å; L591-A602 HydrophobicContact CD1-CB 4.31Å; L591-A602 HydrophobicContact CG-CB 4.48Å; A602-I610 HydrophobicContact CB-CG2 4.4Å; A602-M611 CarbonylContact C-O 3.49Å; A602-M611 VanDerWaalsContact CA-O 3.31Å; A602-M611 WeakPolarHBondContact CA-O 3.36Å; A602-L612 HydrophobicContact CB-CD2 3.66Å; A602-L635 HydrophobicContact CB-CD1 4.14Å; A602-I642 HydrophobicContact CB-CD1 4.29Å |
| 603 | T | 93.9 | Very high | 77 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 146.8 | 173.2 | 57 | 0 | 0 | 0 | 0 | 110 | H581 I585 D587 V588 I601 I610 M611 W613 L635 | H581-T603 PolarHBondContact CD2-OG1 3.32Å; H581-T603 PolarHBondContact NE2-O 3.25Å; H581-T603 PolarHBondContact NE2-OG1 2.83Å; I585-T603 HydrophobicContact CG2-CG2 4.26Å; D587-T603 WeakPolarHBondContact O-CA 3.16Å; V588-T603 HydrophobicContact CB-CG2 4.22Å; V588-T603 HydrophobicContact CG2-CG2 3.81Å; I601-T603 HydrophobicContact CD1-CG2 4.3Å; T603-I610 CarbonylContact O-C 3.6Å; T603-I610 VanDerWaalsContact O-CA 3.22Å; T603-I610 WeakPolarHBondContact O-CA 3.45Å; T603-I610 WeakPolarHBondContact O-CG2 3.43Å; T603-M611 PolarHBondContact N-O 3.36Å; T603-M611 PolarHBondContact O-N 2.81Å; T603-W613 PolarHBondContact OG1-NE1 3.45Å; T603-L635 VanDerWaalsContact C-CD1 3.41Å |
| 604 | C | 94.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.5 | 175 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | I585 N586 D587 I610 V632 L635 | I585-C604 CarbonylContact C-O 3.59Å; I585-C604 VanDerWaalsContact CA-O 3.28Å; I585-C604 WeakPolarHBondContact CA-O 3.47Å; I585-C604 VanDerWaalsContact CG2-O 3.25Å; I585-C604 WeakPolarHBondContact CG2-O 3.21Å; N586-C604 PolarHBondContact N-O 3.28Å; D587-C604 VanDerWaalsContact CB-SG 3.51Å; D587-C604 PolarHBondContact N-SG 3.49Å; D587-C604 PolarHBondContact O-N 2.83Å; D587-C604 VanDerWaalsContact O-N 3.09Å; C604-I610 HydrophobicContact CB-CG1 4.1Å; C604-V632 HydrophobicContact CB-CB 3.74Å; C604-V632 HydrophobicContact CB-CG1 3.51Å; C604-V632 PolarHBondContact SG-O 3.29Å; C604-V632 VanDerWaalsContact SG-O 3.41Å; C604-L635 HydrophobicContact CB-CD1 3.46Å; C604-L635 VanDerWaalsContact CB-CD1 3.46Å; C604-L635 HydrophobicContact CB-CD2 4.04Å; C604-L635 HydrophobicContact CB-CG 3.57Å |
| 605 | S | 87.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 165.3 | -169.8 | 173.1 | 0 | 0 | 0 | 0 | 113.7 | H581 R583 R584 D607 N608 A609 V632 | H581-S605 WeakPolarHBondContact ND1-CB 3.19Å; R583-S605 PolarHBondContact O-OG 3.11Å; R583-S605 VanDerWaalsContact O-OG 3.05Å; R584-S605 VanDerWaalsContact O-CA 3.27Å; R584-S605 WeakPolarHBondContact O-CA 3.03Å; R584-S605 VanDerWaalsContact O-CB 3.27Å; R584-S605 WeakPolarHBondContact O-CB 3.49Å; R584-S605 PolarHBondContact O-OG 2.99Å; S605-D607 VanDerWaalsContact CB-OD1 3.27Å; S605-D607 WeakPolarHBondContact CB-OD1 3.07Å; S605-D607 PolarHBondContact O-N 2.91Å; S605-D607 VanDerWaalsContact O-N 3.15Å; S605-D607 PolarHBondContact OG-N 2.96Å; S605-N608 PolarHBondContact O-N 3.3Å; S605-A609 PolarHBondContact N-O 2.97Å; S605-V632 PolarHBondContact O-N 2.9Å |
| 606 | D | 83 | Confident | 80.1 | Confident | 40 Ų | 40 | 31.2 Ų | 31.2 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -8 | 166 | -70.6 | -19.5 | 0 | 0 | 0 | 113.4 | R583 R584 N586 N608 A631 | R583-D606 HydrophobicContact CB-CB 3.9Å; R583-D606 WeakPolarHBondContact CD-O 3.12Å; R584-D606 IonicContact CZ-OD2 3.65Å; R584-D606 VanDerWaalsContact CZ-OD2 3.31Å; R584-D606 IonicContact NE-OD2 2.67Å; R584-D606 PolarHBondContact NE-OD2 3.04Å; R584-D606 IonicContact NH2-OD1 3.46Å; R584-D606 PolarHBondContact NH2-OD1 3.4Å; R584-D606 IonicContact NH2-OD2 2.72Å; R584-D606 PolarHBondContact NH2-OD2 2.78Å; R584-D606 PolarHBondContact O-N 3.34Å; R584-D606 VanDerWaalsContact O-N 3.08Å; N586-D606 PolarHBondContact ND2-N 3.09Å; N586-D606 PolarHBondContact ND2-OD1 3.46Å; D606-N608 PolarHBondContact O-N 3.35Å; D606-N608 PolarHBondContact O-OD1 3.03Å; D606-A631 HydrophobicContact CB-CB 4.32Å; D606-A631 WeakPolarHBondContact OD1-CB 3.4Å |
| 607 | D | 73.3 | Confident | 80.4 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.4 | 172.4 | 71.8 | 8.1 | 0 | 0 | 0 | 114.4 | H581 C582 R583 S605 A609 | H581-D607 WeakPolarHBondContact CA-OD2 3.45Å; H581-D607 IonicContact CE1-OD1 2.97Å; H581-D607 IonicContact CE1-OD2 2.7Å; H581-D607 IonicContact CG-OD2 3.87Å; H581-D607 IonicContact ND1-OD1 3.25Å; H581-D607 PolarHBondContact ND1-OD1 3.03Å; H581-D607 IonicContact ND1-OD2 2.85Å; H581-D607 PolarHBondContact ND1-OD2 2.7Å; C582-D607 PolarHBondContact N-OD2 3.4Å; R583-D607 HydrophobicContact CB-CB 4.27Å; R583-D607 HydrophobicContact CG-CB 4.3Å; S605-D607 VanDerWaalsContact CB-OD1 3.27Å; S605-D607 WeakPolarHBondContact CB-OD1 3.07Å; S605-D607 PolarHBondContact O-N 2.91Å; S605-D607 VanDerWaalsContact O-N 3.15Å; S605-D607 PolarHBondContact OG-N 2.96Å; D607-A609 PolarHBondContact O-N 2.87Å; D607-A609 WeakPolarHBondContact OD1-CA 3.44Å; D607-A609 VanDerWaalsContact OD1-CB 3.25Å; D607-A609 WeakPolarHBondContact OD1-CB 3.27Å; D607-A609 PolarHBondContact OD1-N 2.9Å |
| 608 | N | 80.3 | Confident | 80.9 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 68.1 | 4.9 | -178.6 | -45.5 | -19.3 | 0 | 0 | 0 | 114.4 | S605 D606 S630 A631 | S605-N608 PolarHBondContact O-N 3.3Å; D606-N608 PolarHBondContact O-N 3.35Å; D606-N608 PolarHBondContact O-OD1 3.03Å; N608-S630 VanDerWaalsContact CG-C 3.44Å; N608-S630 VanDerWaalsContact OD1-CA 3.28Å; N608-S630 WeakPolarHBondContact OD1-CA 3.39Å; N608-S630 PolarHBondContact OD1-O 2.86Å; N608-A631 PolarHBondContact OD1-N 3.22Å |
| 609 | A | 80.4 | Confident | 81.3 | Confident | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 157.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H581 S605 D607 R624 L626 | H581-A609 PolarHBondContact CE1-O 2.92Å; S605-A609 PolarHBondContact N-O 2.97Å; D607-A609 PolarHBondContact O-N 2.87Å; D607-A609 WeakPolarHBondContact OD1-CA 3.44Å; D607-A609 VanDerWaalsContact OD1-CB 3.25Å; D607-A609 WeakPolarHBondContact OD1-CB 3.27Å; D607-A609 PolarHBondContact OD1-N 2.9Å; A609-R624 HydrophobicContact CB-CG 4.12Å; A609-L626 HydrophobicContact CB-CD2 3.81Å |
| 610 | I | 89.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 133.7 | 163.7 | -56.9 | 158.4 | 0 | 0 | 0 | 106.4 | A602 T603 C604 L625 V632 L635 S644 W654 | A602-I610 HydrophobicContact CB-CG2 4.4Å; T603-I610 CarbonylContact O-C 3.6Å; T603-I610 VanDerWaalsContact O-CA 3.22Å; T603-I610 WeakPolarHBondContact O-CA 3.45Å; T603-I610 WeakPolarHBondContact O-CG2 3.43Å; C604-I610 HydrophobicContact CB-CG1 4.1Å; I610-L625 HydrophobicContact CB-CB 4.12Å; I610-L625 HydrophobicContact CB-CD1 4.37Å; I610-L625 HydrophobicContact CG2-CD1 4.16Å; I610-L625 PolarHBondContact N-O 2.84Å; I610-L625 VanDerWaalsContact N-O 3.07Å; I610-L625 PolarHBondContact O-N 3.05Å; I610-V632 HydrophobicContact CD1-CG1 4.32Å; I610-V632 HydrophobicContact CG1-CG1 4.12Å; I610-V632 HydrophobicContact CG1-CG2 4.43Å; I610-L635 HydrophobicContact CD1-CD2 3.96Å; I610-L635 HydrophobicContact CG1-CD2 4.07Å; I610-L635 HydrophobicContact CG2-CD1 4.26Å; I610-L635 HydrophobicContact CG2-CD2 4.03Å; I610-S644 WeakPolarHBondContact CD1-OG 3.42Å; I610-W654 HydrophobicContact CD1-CZ2 4.08Å |
| 611 | M | 88.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.4 | 179.7 | -67.8 | -169.4 | -166 | 0 | 0 | 110.6 | H581 A602 T603 W613 L621 R624 | H581-M611 HydrophobicContact CB-CE 4.46Å; A602-M611 CarbonylContact C-O 3.49Å; A602-M611 VanDerWaalsContact CA-O 3.31Å; A602-M611 WeakPolarHBondContact CA-O 3.36Å; T603-M611 PolarHBondContact N-O 3.36Å; T603-M611 PolarHBondContact O-N 2.81Å; M611-W613 HydrophobicContact CB-CZ2 3.71Å; M611-W613 VanDerWaalsContact CB-NE1 3.33Å; M611-W613 HydrophobicContact CG-CZ2 4.24Å; M611-W613 PolarHBondContact O-NE1 2.98Å; M611-W613 HydrophobicContact SD-CH2 4.03Å; M611-W613 HydrophobicContact SD-CZ2 3.51Å; M611-W613 VanDerWaalsContact SD-CZ2 3.51Å; M611-L621 HydrophobicContact CB-CD1 3.73Å; M611-L621 HydrophobicContact CG-CD1 3.99Å; M611-L621 HydrophobicContact SD-CD1 3.94Å; M611-R624 HydrophobicContact CE-CG 4.43Å; M611-R624 HydrophobicContact CG-CG 4.32Å |
| 612 | L | 88.1 | Confident | 81.1 | Confident | 9 Ų | 9 | 38.4 Ų | 38.4 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.1 | 176.4 | -67.2 | -178.7 | 0 | 0 | 0 | 109.8 | L591 I601 A602 L622 Q623 L625 I642 F661 | L591-L612 HydrophobicContact CD1-CD2 3.56Å; I601-L612 WeakPolarHBondContact O-CA 3.5Å; A602-L612 HydrophobicContact CB-CD2 3.66Å; L612-L622 PolarHBondContact O-N 2.86Å; L612-Q623 HydrophobicContact CB-CB 4.15Å; L612-Q623 HydrophobicContact CD1-CB 4.12Å; L612-Q623 HydrophobicContact CG-CB 4.5Å; L612-Q623 PolarHBondContact N-O 2.87Å; L612-Q623 PolarHBondContact O-N 3.21Å; L612-L625 HydrophobicContact CD1-CD1 4.22Å; L612-L625 HydrophobicContact CD1-CD2 4.47Å; L612-L625 HydrophobicContact CD1-CG 4.46Å; L612-L625 HydrophobicContact CG-CD1 4.36Å; L612-I642 HydrophobicContact CD1-CD1 4.41Å; L612-I642 HydrophobicContact CD2-CD1 3.63Å; L612-F661 HydrophobicContact CD1-CB 3.95Å; L612-F661 HydrophobicContact CD1-CD2 3.29Å; L612-F661 HydrophobicContact CD1-CE2 4.01Å; L612-F661 HydrophobicContact CD1-CG 3.84Å |
| 613 | W | 85.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.4 | -175.4 | -41.9 | 80.6 | 0 | 0 | 0 | 111.6 | A577 A580 L600 I601 T603 M611 L619 T620 L621 | A577-W613 HydrophobicContact CB-CZ3 3.85Å; A580-W613 HydrophobicContact CB-CH2 3.67Å; A580-W613 HydrophobicContact CB-CZ2 4.32Å; L600-W613 WeakPolarHBondContact CA-O 3.44Å; I601-W613 HydrophobicContact CD1-CB 4.06Å; I601-W613 HydrophobicContact CD1-CG 4.15Å; I601-W613 HydrophobicContact CG1-CB 3.58Å; I601-W613 HydrophobicContact CG1-CG 4.01Å; I601-W613 PolarHBondContact N-O 2.9Å; I601-W613 PolarHBondContact O-N 2.91Å; T603-W613 PolarHBondContact OG1-NE1 3.45Å; M611-W613 HydrophobicContact CB-CZ2 3.71Å; M611-W613 VanDerWaalsContact CB-NE1 3.33Å; M611-W613 HydrophobicContact CG-CZ2 4.24Å; M611-W613 PolarHBondContact O-NE1 2.98Å; M611-W613 HydrophobicContact SD-CH2 4.03Å; M611-W613 HydrophobicContact SD-CZ2 3.51Å; M611-W613 VanDerWaalsContact SD-CZ2 3.51Å; W613-L619 HydrophobicContact CB-CD1 3.57Å; W613-L619 HydrophobicContact CB-CG 4.25Å; W613-L619 HydrophobicContact CD2-CD1 4.23Å; W613-L619 HydrophobicContact CD2-CD2 4.15Å; W613-L619 HydrophobicContact CD2-CG 4.09Å; W613-L619 HydrophobicContact CE3-CD1 4.2Å; W613-L619 HydrophobicContact CE3-CD2 3.86Å; W613-L619 HydrophobicContact CE3-CG 3.62Å; W613-L619 HydrophobicContact CG-CD1 4.01Å; W613-L619 HydrophobicContact CG-CG 4.39Å; W613-L619 HydrophobicContact CZ3-CD2 4.1Å; W613-L619 HydrophobicContact CZ3-CG 4.2Å; W613-T620 CarbonylContact C-O 3.6Å; W613-T620 WeakPolarHBondContact CA-O 3.39Å; W613-L621 HydrophobicContact CD2-CD1 4.05Å; W613-L621 HydrophobicContact CE3-CB 3.78Å; W613-L621 HydrophobicContact CE3-CD1 3.99Å; W613-L621 HydrophobicContact CH2-CB 4.28Å; W613-L621 HydrophobicContact CH2-CD1 3.98Å; W613-L621 HydrophobicContact CZ2-CD1 4.01Å; W613-L621 HydrophobicContact CZ3-CB 3.59Å; W613-L621 HydrophobicContact CZ3-CD1 3.97Å; W613-L621 HydrophobicContact CZ3-CG 4.31Å |
| 614 | R | 82.3 | Confident | 79.8 | Confident | 79 Ų | 79 | 44 Ų | 44 | 30% | 0.298 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137 | 166.3 | 178.6 | -171.1 | -61.8 | 158.5 | -7.1 | 109.5 | D596 N598 L600 D616 T620 L622 | D596-R614 IonicContact OD2-CZ 2.89Å; D596-R614 IonicContact OD2-NE 3.13Å; D596-R614 PolarHBondContact OD2-NE 2.83Å; D596-R614 IonicContact OD2-NH2 3.24Å; D596-R614 PolarHBondContact OD2-NH2 2.77Å; D596-R614 VanDerWaalsContact OD2-NH2 3.15Å; N598-R614 HydrophobicContact CB-CG 3.98Å; L600-R614 HydrophobicContact CD2-CB 4.46Å; R614-D616 WeakPolarHBondContact CD-OD2 3.22Å; R614-T620 WeakPolarHBondContact CB-OG1 3.42Å; R614-T620 PolarHBondContact N-O 2.82Å; R614-T620 PolarHBondContact O-N 2.85Å; R614-T620 PolarHBondContact O-OG1 3.35Å; R614-T620 VanDerWaalsContact O-OG1 3.13Å; R614-L622 HydrophobicContact CB-CD1 3.87Å; R614-L622 HydrophobicContact CB-CD2 4.18Å; R614-L622 HydrophobicContact CB-CG 4.03Å |
| 615 | I | 76.7 | Confident | 79.2 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.108 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 101.9 | -179.7 | -61 | 172.8 | 0 | 0 | 0 | 109.5 | M599 I601 L619 I893 Y901 | M599-I615 PolarHBondContact O-N 3.36Å; I601-I615 HydrophobicContact CD1-CD1 3.96Å; I601-I615 HydrophobicContact CG1-CD1 4.11Å; I601-I615 HydrophobicContact CG1-CG1 4.49Å; I601-I615 HydrophobicContact CG2-CD1 3.92Å; I615-L619 HydrophobicContact CD1-CD1 4.23Å; I615-L619 HydrophobicContact CG1-CD1 3.6Å; I615-I893 HydrophobicContact CD1-CD1 3.29Å; I615-I893 HydrophobicContact CD1-CG1 4.28Å; I615-Y901 HydrophobicContact CG2-CE1 4.35Å |
| 616 | D | 69.4 | Low | 78.8 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -132.1 | 76.8 | 176.8 | -65.1 | -21.2 | 0 | 0 | 0 | 109.5 | N598 R614 Q618 | N598-D616 WeakPolarHBondContact CB-OD1 3.31Å; N598-D616 VanDerWaalsContact CG-OD1 3.27Å; N598-D616 PolarHBondContact ND2-OD1 2.95Å; N598-D616 PolarHBondContact ND2-OD2 2.81Å; R614-D616 WeakPolarHBondContact CD-OD2 3.22Å; D616-Q618 PolarHBondContact N-O 2.97Å; D616-Q618 PolarHBondContact O-N 2.85Å |
| 617 | N | 63.1 | Low | 78.3 | Confident | 163 Ų | 163 | 47.2 Ų | 47.2 | 87% | 0.872 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 58.3 | -20.3 | -167.6 | -63 | -29.3 | 0 | 0 | 0 | 115.5 | ||
| 618 | Q | 68.6 | Low | 78.6 | Confident | 144 Ų | 144 | 46.5 Ų | 46.5 | 67% | 0.673 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -131.3 | 152.4 | 173.2 | -63.3 | -169.2 | -26 | 0 | 0 | 108.8 | D616 | D616-Q618 PolarHBondContact N-O 2.97Å; D616-Q618 PolarHBondContact O-N 2.85Å |
| 619 | L | 73.5 | Confident | 78.1 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.8 | 175.5 | -172.8 | 69.5 | 0 | 0 | 0 | 108.7 | L576 I601 W613 I615 | L576-L619 HydrophobicContact CB-CB 4.5Å; I601-L619 HydrophobicContact CD1-CD1 4.03Å; W613-L619 HydrophobicContact CB-CD1 3.57Å; W613-L619 HydrophobicContact CB-CG 4.25Å; W613-L619 HydrophobicContact CD2-CD1 4.23Å; W613-L619 HydrophobicContact CD2-CD2 4.15Å; W613-L619 HydrophobicContact CD2-CG 4.09Å; W613-L619 HydrophobicContact CE3-CD1 4.2Å; W613-L619 HydrophobicContact CE3-CD2 3.86Å; W613-L619 HydrophobicContact CE3-CG 3.62Å; W613-L619 HydrophobicContact CG-CD1 4.01Å; W613-L619 HydrophobicContact CG-CG 4.39Å; W613-L619 HydrophobicContact CZ3-CD2 4.1Å; W613-L619 HydrophobicContact CZ3-CG 4.2Å; I615-L619 HydrophobicContact CD1-CD1 4.23Å; I615-L619 HydrophobicContact CG1-CD1 3.6Å |
| 620 | T | 76.1 | Confident | 78.1 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126 | -178.8 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | W613 R614 L622 | W613-T620 CarbonylContact C-O 3.6Å; W613-T620 WeakPolarHBondContact CA-O 3.39Å; R614-T620 WeakPolarHBondContact CB-OG1 3.42Å; R614-T620 PolarHBondContact N-O 2.82Å; R614-T620 PolarHBondContact O-N 2.85Å; R614-T620 PolarHBondContact O-OG1 3.35Å; R614-T620 VanDerWaalsContact O-OG1 3.13Å; T620-L622 PolarHBondContact O-N 2.82Å |
| 621 | L | 77.3 | Confident | 77.8 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 118 | 176.2 | -178.7 | 66 | 0 | 0 | 0 | 109.2 | G579 M611 W613 | G579-L621 WeakPolarHBondContact O-CD2 3.3Å; M611-L621 HydrophobicContact CB-CD1 3.73Å; M611-L621 HydrophobicContact CG-CD1 3.99Å; M611-L621 HydrophobicContact SD-CD1 3.94Å; W613-L621 HydrophobicContact CD2-CD1 4.05Å; W613-L621 HydrophobicContact CE3-CB 3.78Å; W613-L621 HydrophobicContact CE3-CD1 3.99Å; W613-L621 HydrophobicContact CH2-CB 4.28Å; W613-L621 HydrophobicContact CH2-CD1 3.98Å; W613-L621 HydrophobicContact CZ2-CD1 4.01Å; W613-L621 HydrophobicContact CZ3-CB 3.59Å; W613-L621 HydrophobicContact CZ3-CD1 3.97Å; W613-L621 HydrophobicContact CZ3-CG 4.31Å |
| 622 | L | 79 | Confident | 78 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -43.9 | 177.7 | -64 | -176.3 | 0 | 0 | 0 | 112.1 | L600 L612 R614 T620 | L600-L622 HydrophobicContact CD2-CD1 3.37Å; L612-L622 PolarHBondContact O-N 2.86Å; R614-L622 HydrophobicContact CB-CD1 3.87Å; R614-L622 HydrophobicContact CB-CD2 4.18Å; R614-L622 HydrophobicContact CB-CG 4.03Å; T620-L622 PolarHBondContact O-N 2.82Å |
| 623 | Q | 79.7 | Confident | 78.4 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 141.4 | -173.6 | -169 | 175.8 | -0.7 | 0 | 0 | 111.4 | L612 L625 F661 | L612-Q623 HydrophobicContact CB-CB 4.15Å; L612-Q623 HydrophobicContact CD1-CB 4.12Å; L612-Q623 HydrophobicContact CG-CB 4.5Å; L612-Q623 PolarHBondContact N-O 2.87Å; L612-Q623 PolarHBondContact O-N 3.21Å; Q623-L625 VanDerWaalsContact CD-CD2 3.46Å; Q623-L625 HydrophobicContact CG-CD2 3.8Å; Q623-L625 VanDerWaalsContact NE2-CD2 3.27Å; Q623-F661 PolarHBondContact NE2-O 2.95Å |
| 624 | R | 79.7 | Confident | 78.8 | Confident | 70 Ų | 70 | 51.1 Ų | 51.1 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.8 | 168.2 | -172.4 | -178.5 | -69.3 | -171.9 | -6 | 108.4 | D242 G579 A609 M611 L626 | D242-R624 IonicContact OD1-CZ 3.55Å; D242-R624 IonicContact OD1-NH1 3.13Å; D242-R624 PolarHBondContact OD1-NH1 3.35Å; D242-R624 IonicContact OD1-NH2 2.64Å; D242-R624 PolarHBondContact OD1-NH2 3.14Å; G579-R624 PolarHBondContact O-NH2 2.96Å; A609-R624 HydrophobicContact CB-CG 4.12Å; M611-R624 HydrophobicContact CE-CG 4.43Å; M611-R624 HydrophobicContact CG-CG 4.32Å; R624-L626 HydrophobicContact CG-CD2 4.05Å; R624-L626 HydrophobicContact CG-CG 4.26Å |
| 625 | L | 80.9 | Confident | 79.4 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118 | 177.3 | -49 | 177.4 | 0 | 0 | 0 | 108.7 | I610 L612 Q623 I642 W654 F661 | I610-L625 HydrophobicContact CB-CB 4.12Å; I610-L625 HydrophobicContact CB-CD1 4.37Å; I610-L625 HydrophobicContact CG2-CD1 4.16Å; I610-L625 PolarHBondContact N-O 2.84Å; I610-L625 VanDerWaalsContact N-O 3.07Å; I610-L625 PolarHBondContact O-N 3.05Å; L612-L625 HydrophobicContact CD1-CD1 4.22Å; L612-L625 HydrophobicContact CD1-CD2 4.47Å; L612-L625 HydrophobicContact CD1-CG 4.46Å; L612-L625 HydrophobicContact CG-CD1 4.36Å; Q623-L625 VanDerWaalsContact CD-CD2 3.46Å; Q623-L625 HydrophobicContact CG-CD2 3.8Å; Q623-L625 VanDerWaalsContact NE2-CD2 3.27Å; L625-I642 HydrophobicContact CD1-CD1 4.31Å; L625-W654 HydrophobicContact CB-CD2 4.45Å; L625-W654 HydrophobicContact CB-CE3 4.03Å; L625-W654 HydrophobicContact CB-CH2 3.9Å; L625-W654 HydrophobicContact CB-CZ2 4.31Å; L625-W654 HydrophobicContact CB-CZ3 3.75Å; L625-W654 HydrophobicContact CD1-CD2 4.03Å; L625-W654 HydrophobicContact CD1-CE3 4.06Å; L625-W654 HydrophobicContact CD1-CG 4.23Å; L625-W654 HydrophobicContact CD2-CE3 4.3Å; L625-W654 HydrophobicContact CD2-CZ3 4.48Å; L625-W654 HydrophobicContact CG-CE3 4.37Å; L625-F661 HydrophobicContact CD1-CB 4.02Å; L625-F661 HydrophobicContact CD2-CB 3.84Å |
| 626 | L | 78.8 | Confident | 80.2 | Confident | 87 Ų | 87 | 48 Ų | 48 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.2 | 179.5 | -61.1 | 176.7 | 0 | 0 | 0 | 108.6 | F206 A609 R624 | F206-L626 HydrophobicContact CB-CD1 3.67Å; A609-L626 HydrophobicContact CB-CD2 3.81Å; R624-L626 HydrophobicContact CG-CD2 4.05Å; R624-L626 HydrophobicContact CG-CG 4.26Å |
| 627 | G | 72.8 | Confident | 81.2 | Confident | 16 Ų | 16 | 45.1 Ų | 45.1 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | trans | -174.5 | -37.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R666 | G627-R666 PolarHBondContact O-NH1 2.8Å; G627-R666 PolarHBondContact O-NH2 2.7Å | ||
| 628 | H | 80.3 | Confident | 82.3 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | trans | -65.6 | 142 | 174.8 | -79.5 | -78 | 0 | 0 | 0 | 111.4 | V632 S644 E650 L652 | H628-V632 HydrophobicContact CB-CG2 3.6Å; H628-V632 WeakPolarHBondContact CD2-CG2 3.29Å; H628-V632 VanDerWaalsContact CG-CG2 3.47Å; H628-S644 PolarHBondContact CE1-O 2.76Å; H628-S644 WeakPolarHBondContact NE2-CB 3.41Å; H628-S644 PolarHBondContact NE2-O 3.11Å; H628-S644 PolarHBondContact NE2-OG 3.45Å; H628-E650 VanDerWaalsContact CA-OE2 3.28Å; H628-E650 WeakPolarHBondContact CA-OE2 3.48Å; H628-E650 IonicContact ND1-OE2 3.65Å; H628-L652 HydrophobicContact CB-CD1 4.49Å | ||
| 629 | V | 70.2 | Confident | 82.9 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -96.9 | -1.6 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | R648 E650 | V629-R648 HydrophobicContact CG2-CB 4.46Å; V629-R648 HydrophobicContact CG2-CG 4.39Å; V629-E650 PolarHBondContact N-OE2 3.16Å |
| 630 | S | 79.8 | Confident | 83.4 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 25% | 0.245 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -150.1 | 171.7 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | N608 V632 | N608-S630 VanDerWaalsContact CG-C 3.44Å; N608-S630 VanDerWaalsContact OD1-CA 3.28Å; N608-S630 WeakPolarHBondContact OD1-CA 3.39Å; N608-S630 PolarHBondContact OD1-O 2.86Å; S630-V632 PolarHBondContact O-N 2.9Å |
| 631 | A | 83.5 | Confident | 84 | Confident | 19 Ų | 19 | 34.2 Ų | 34.2 | 16% | 0.157 | 18% | 0.18 | C | C | . | . | trans | -45.2 | 132 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D606 N608 L633 G646 G647 | D606-A631 HydrophobicContact CB-CB 4.32Å; D606-A631 WeakPolarHBondContact OD1-CB 3.4Å; N608-A631 PolarHBondContact OD1-N 3.22Å; A631-L633 HydrophobicContact CB-CD2 4.26Å; A631-G646 CarbonylContact O-C 3.59Å; A631-G646 WeakPolarHBondContact O-CA 3.34Å; A631-G647 PolarHBondContact O-N 3.29Å | ||
| 632 | V | 93.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.3 | 176.2 | -169.9 | 0 | 0 | 0 | 0 | 107.2 | N586 C604 S605 I610 H628 S630 | N586-V632 PolarHBondContact ND2-O 3.43Å; C604-V632 HydrophobicContact CB-CB 3.74Å; C604-V632 HydrophobicContact CB-CG1 3.51Å; C604-V632 PolarHBondContact SG-O 3.29Å; C604-V632 VanDerWaalsContact SG-O 3.41Å; S605-V632 PolarHBondContact O-N 2.9Å; I610-V632 HydrophobicContact CD1-CG1 4.32Å; I610-V632 HydrophobicContact CG1-CG1 4.12Å; I610-V632 HydrophobicContact CG1-CG2 4.43Å; H628-V632 HydrophobicContact CB-CG2 3.6Å; H628-V632 WeakPolarHBondContact CD2-CG2 3.29Å; H628-V632 VanDerWaalsContact CG-CG2 3.47Å; S630-V632 PolarHBondContact O-N 2.9Å |
| 633 | L | 94.6 | Very high | 85.5 | Confident | 42 Ų | 42 | 27.8 Ų | 27.8 | 22% | 0.22 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -29.4 | -165.8 | -61.9 | 176.6 | 0 | 0 | 0 | 112.9 | A631 G645 R674 Y675 | A631-L633 HydrophobicContact CB-CD2 4.26Å; L633-G645 PolarHBondContact N-O 2.72Å; L633-R674 HydrophobicContact CD1-CB 3.67Å; L633-R674 HydrophobicContact CD1-CG 3.89Å; L633-Y675 WeakPolarHBondContact CB-O 3.44Å |
| 634 | C | 95.5 | Very high | 86.2 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.2 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | D587 S644 G645 L678 | D587-C634 WeakPolarHBondContact OD2-CA 3.1Å; C634-S644 WeakPolarHBondContact O-CA 3.09Å; C634-G645 PolarHBondContact N-O 3.14Å; C634-G645 PolarHBondContact O-N 2.92Å; C634-L678 HydrophobicContact CB-CB 4.16Å; C634-L678 VanDerWaalsContact SG-CB 3.59Å |
| 635 | L | 95 | Very high | 86.9 | Confident | 8 Ų | 8 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.1 | 178.1 | -75.8 | 175.1 | 0 | 0 | 0 | 110.8 | D587 A602 T603 C604 I610 I642 F643 | D587-L635 HydrophobicContact CB-CB 4.34Å; D587-L635 PolarHBondContact OD2-N 3.03Å; A602-L635 HydrophobicContact CB-CD1 4.14Å; T603-L635 VanDerWaalsContact C-CD1 3.41Å; C604-L635 HydrophobicContact CB-CD1 3.46Å; C604-L635 VanDerWaalsContact CB-CD1 3.46Å; C604-L635 HydrophobicContact CB-CD2 4.04Å; C604-L635 HydrophobicContact CB-CG 3.57Å; I610-L635 HydrophobicContact CD1-CD2 3.96Å; I610-L635 HydrophobicContact CG1-CD2 4.07Å; I610-L635 HydrophobicContact CG2-CD1 4.26Å; I610-L635 HydrophobicContact CG2-CD2 4.03Å; L635-I642 HydrophobicContact CD2-CG2 3.98Å; L635-F643 WeakPolarHBondContact CA-O 3.41Å |
| 636 | H | 93.4 | Very high | 87.2 | Confident | 28 Ų | 28 | 22 Ų | 22 | 13% | 0.13 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 126.7 | 165.3 | -175 | 96.1 | 0 | 0 | 0 | 109.5 | I642 F643 L678 D679 C680 | H636-I642 WeakPolarHBondContact O-CA 3.27Å; H636-F643 HydrophobicContact CB-CB 4.48Å; H636-F643 PolarHBondContact N-O 2.75Å; H636-F643 PolarHBondContact O-N 3.02Å; H636-L678 HydrophobicContact CB-CG 4.35Å; H636-D679 IonicContact CE1-OD1 3.57Å; H636-D679 PolarHBondContact CE1-OD1 2.85Å; H636-D679 IonicContact CG-OD1 2.89Å; H636-D679 IonicContact ND1-OD1 3.87Å; H636-D679 PolarHBondContact ND1-OD1 3.11Å; H636-D679 IonicContact NE2-OD1 2.76Å; H636-C680 PolarHBondContact NE2-O 3.31Å |
| 637 | G | 90 | Very high | 87.5 | Confident | 13 Ų | 13 | 18 Ų | 18 | 13% | 0.134 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 638 | E | 86 | Confident | 88 | Confident | 37 Ų | 37 | 22.4 Ų | 22.4 | 17% | 0.173 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 110.7 | -179.6 | -176 | 54.7 | -147.2 | 0 | 0 | 109.8 | D640 F641 F643 W690 | E638-D640 PolarHBondContact O-N 2.9Å; E638-F641 PolarHBondContact N-O 2.78Å; E638-F641 WeakPolarHBondContact O-CA 3.48Å; E638-F641 WeakPolarHBondContact O-CB 3.32Å; E638-F641 PolarHBondContact O-N 2.92Å; E638-F643 HydrophobicContact CB-CE2 4.27Å; E638-W690 HydrophobicContact CB-CZ3 4.41Å; E638-W690 HydrophobicContact CG-CE3 3.91Å; E638-W690 HydrophobicContact CG-CH2 3.47Å; E638-W690 VanDerWaalsContact CG-CH2 3.47Å; E638-W690 HydrophobicContact CG-CZ3 3.09Å; E638-W690 WeakPolarHBondContact OE1-CH2 3.37Å |
| 639 | R | 81.6 | Confident | 88.2 | Confident | 75 Ų | 75 | 21.7 Ų | 21.7 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | -117.5 | -171.4 | -58.5 | -171.5 | -179.6 | 129.5 | 10.6 | 112.7 | F641 E687 W690 | R639-F641 VanDerWaalsContact C-N 3.28Å; R639-E687 IonicContact CZ-OE1 3.9Å; R639-E687 IonicContact CZ-OE2 3.36Å; R639-E687 IonicContact NE-OE2 3.15Å; R639-E687 VanDerWaalsContact NH1-CB 3.25Å; R639-E687 IonicContact NH1-OE1 3.31Å; R639-E687 PolarHBondContact NH1-OE1 2.98Å; R639-E687 IonicContact NH1-OE2 3.52Å; R639-E687 PolarHBondContact NH1-OE2 3.47Å; R639-E687 IonicContact NH2-OE1 2.67Å; R639-E687 PolarHBondContact NH2-OE1 2.81Å; R639-E687 IonicContact NH2-OE2 3.67Å; R639-E687 PolarHBondContact NH2-OE2 3.21Å; R639-W690 HydrophobicContact CG-CH2 4.35Å; R639-W690 VanDerWaalsContact NH1-CH2 3.25Å |
| 640 | D | 84.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 19.9 Ų | 19.9 | 19% | 0.187 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 8.8 | -179.2 | -61.7 | -34.4 | 0 | 0 | 0 | 112.2 | E638 H655 C656 F661 | E638-D640 PolarHBondContact O-N 2.9Å; D640-H655 CarbonylContact O-C 3.54Å; D640-H655 WeakPolarHBondContact O-CA 3.37Å; D640-H655 PolarHBondContact O-CD2 2.97Å; D640-C656 HydrophobicContact CB-CB 4.03Å; D640-C656 PolarHBondContact O-N 3.15Å; D640-F661 VanDerWaalsContact O-CE1 3.27Å; D640-F661 WeakPolarHBondContact O-CE1 3.31Å |
| 641 | F | 88.9 | Confident | 89.7 | Confident | 10 Ų | 10 | 18.2 Ų | 18.2 | 4% | 0.044 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 144.7 | 178.3 | -66.6 | -85.8 | 0 | 0 | 0 | 112.6 | E638 R639 F643 V653 W654 H655 M706 I708 T714 | E638-F641 PolarHBondContact N-O 2.78Å; E638-F641 WeakPolarHBondContact O-CA 3.48Å; E638-F641 WeakPolarHBondContact O-CB 3.32Å; E638-F641 PolarHBondContact O-N 2.92Å; R639-F641 VanDerWaalsContact C-N 3.28Å; F641-F643 HydrophobicContact CB-CE2 3.71Å; F641-F643 HydrophobicContact CB-CZ 3.7Å; F641-F643 HydrophobicContact CG-CZ 4.21Å; F641-V653 HydrophobicContact CD1-CG1 3.97Å; F641-V653 HydrophobicContact CE1-CG1 4.49Å; F641-W654 CarbonylContact C-O 3.58Å; F641-W654 VanDerWaalsContact CA-O 3.25Å; F641-W654 WeakPolarHBondContact CA-O 3.4Å; F641-H655 HydrophobicContact CD1-CB 3.92Å; F641-H655 AromaticContact CD1-CD2 3.71Å; F641-H655 HydrophobicContact CE1-CB 3.65Å; F641-H655 AromaticContact CE1-CD2 3.21Å; F641-H655 WeakPolarHBondContact CE1-CD2 3.35Å; F641-H655 AromaticContact CE1-CG 3.58Å; F641-H655 AromaticContact CE2-CD2 3.61Å; F641-H655 AromaticContact CE2-NE2 3.98Å; F641-H655 HydrophobicContact CZ-CB 4.46Å; F641-H655 AromaticContact CZ-CD2 3.15Å; F641-H655 WeakPolarHBondContact CZ-CD2 3.46Å; F641-H655 AromaticContact CZ-CG 3.89Å; F641-H655 AromaticContact CZ-NE2 3.64Å; F641-M706 HydrophobicContact CD1-CE 4.24Å; F641-M706 HydrophobicContact CD2-CE 4.49Å; F641-M706 HydrophobicContact CE1-CE 4.17Å; F641-M706 HydrophobicContact CE2-CE 4.43Å; F641-M706 HydrophobicContact CG-CE 4.39Å; F641-M706 HydrophobicContact CZ-CE 4.26Å; F641-I708 HydrophobicContact CE2-CD1 3.59Å; F641-I708 HydrophobicContact CZ-CD1 3.62Å; F641-I708 HydrophobicContact CZ-CG1 4.21Å; F641-T714 HydrophobicContact CE1-CG2 3.78Å; F641-T714 HydrophobicContact CZ-CG2 4.15Å |
| 642 | I | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.4 | 163.5 | -62.7 | 165 | 0 | 0 | 0 | 106.9 | L591 A602 L612 L625 L635 H636 W654 F661 | L591-I642 HydrophobicContact CD1-CD1 3.84Å; L591-I642 HydrophobicContact CD1-CG1 4.36Å; L591-I642 HydrophobicContact CD2-CD1 4.01Å; L591-I642 HydrophobicContact CD2-CG1 3.62Å; A602-I642 HydrophobicContact CB-CD1 4.29Å; L612-I642 HydrophobicContact CD1-CD1 4.41Å; L612-I642 HydrophobicContact CD2-CD1 3.63Å; L625-I642 HydrophobicContact CD1-CD1 4.31Å; L635-I642 HydrophobicContact CD2-CG2 3.98Å; H636-I642 WeakPolarHBondContact O-CA 3.27Å; I642-W654 HydrophobicContact CB-CB 4.11Å; I642-W654 HydrophobicContact CB-CG 4.43Å; I642-W654 PolarHBondContact N-O 3.19Å; I642-W654 VanDerWaalsContact O-CD1 3.26Å; I642-W654 PolarHBondContact O-N 3.29Å; I642-F661 HydrophobicContact CB-CD1 4.48Å; I642-F661 HydrophobicContact CB-CE1 4.41Å; I642-F661 HydrophobicContact CD1-CD1 3.62Å; I642-F661 HydrophobicContact CD1-CD2 4.27Å; I642-F661 HydrophobicContact CD1-CE1 3.56Å; I642-F661 HydrophobicContact CD1-CE2 4.21Å; I642-F661 HydrophobicContact CD1-CG 3.96Å; I642-F661 HydrophobicContact CD1-CZ 3.86Å; I642-F661 HydrophobicContact CG1-CD1 3.96Å; I642-F661 HydrophobicContact CG1-CE1 3.58Å; I642-F661 HydrophobicContact CG1-CZ 4.1Å |
| 643 | F | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.9 | 171.1 | -52.5 | -84.5 | 0 | 0 | 0 | 107.7 | L635 H636 E638 F641 L652 V653 L678 C680 I692 M706 | L635-F643 WeakPolarHBondContact CA-O 3.41Å; H636-F643 HydrophobicContact CB-CB 4.48Å; H636-F643 PolarHBondContact N-O 2.75Å; H636-F643 PolarHBondContact O-N 3.02Å; E638-F643 HydrophobicContact CB-CE2 4.27Å; F641-F643 HydrophobicContact CB-CE2 3.71Å; F641-F643 HydrophobicContact CB-CZ 3.7Å; F641-F643 HydrophobicContact CG-CZ 4.21Å; F643-L652 WeakPolarHBondContact CA-O 3.48Å; F643-V653 HydrophobicContact CD1-CB 4.35Å; F643-V653 HydrophobicContact CD1-CG1 3.98Å; F643-V653 HydrophobicContact CD1-CG2 3.85Å; F643-V653 HydrophobicContact CE1-CB 4.4Å; F643-V653 HydrophobicContact CE1-CG1 3.63Å; F643-V653 HydrophobicContact CE1-CG2 4.04Å; F643-L678 VanDerWaalsContact C-CD2 3.46Å; F643-L678 HydrophobicContact CB-CD2 3.64Å; F643-L678 HydrophobicContact CB-CG 4.31Å; F643-L678 WeakPolarHBondContact O-CD2 3.33Å; F643-C680 HydrophobicContact CD2-CB 3.9Å; F643-C680 HydrophobicContact CE2-CB 3.83Å; F643-C680 VanDerWaalsContact CE2-SG 3.53Å; F643-I692 HydrophobicContact CD1-CD1 3.65Å; F643-I692 HydrophobicContact CD1-CG1 4Å; F643-I692 HydrophobicContact CD1-CG2 4.5Å; F643-I692 HydrophobicContact CE1-CD1 3.32Å; F643-I692 HydrophobicContact CE1-CG1 3.78Å; F643-I692 HydrophobicContact CZ-CD1 4.14Å; F643-I692 HydrophobicContact CZ-CG1 4.21Å; F643-M706 HydrophobicContact CE1-CE 4Å; F643-M706 HydrophobicContact CE1-SD 3.99Å; F643-M706 HydrophobicContact CZ-CE 3.77Å; F643-M706 HydrophobicContact CZ-SD 4.38Å |
| 644 | S | 95.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 129 | 179.9 | 59 | 0 | 0 | 0 | 0 | 112.2 | I610 H628 C634 L651 L652 W654 | I610-S644 WeakPolarHBondContact CD1-OG 3.42Å; H628-S644 PolarHBondContact CE1-O 2.76Å; H628-S644 WeakPolarHBondContact NE2-CB 3.41Å; H628-S644 PolarHBondContact NE2-O 3.11Å; H628-S644 PolarHBondContact NE2-OG 3.45Å; C634-S644 WeakPolarHBondContact O-CA 3.09Å; S644-L651 WeakPolarHBondContact O-CA 3.39Å; S644-L652 PolarHBondContact N-O 3.22Å; S644-L652 PolarHBondContact O-N 3.04Å; S644-W654 PolarHBondContact OG-NE1 2.92Å |
| 645 | G | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L633 C634 | L633-G645 PolarHBondContact N-O 2.72Å; C634-G645 PolarHBondContact N-O 3.14Å; C634-G645 PolarHBondContact O-N 2.92Å |
| 646 | G | 87.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -167.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A631 E650 Y675 | A631-G646 CarbonylContact O-C 3.59Å; A631-G646 WeakPolarHBondContact O-CA 3.34Å; G646-E650 PolarHBondContact N-O 2.91Å; G646-Y675 PolarHBondContact O-N 2.78Å; G646-Y675 VanDerWaalsContact O-N 3.08Å |
| 647 | G | 84.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -70.2 | 171.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113 | A631 A649 E650 Y673 | A631-G647 PolarHBondContact O-N 3.29Å; G647-A649 PolarHBondContact O-N 2.8Å; G647-E650 PolarHBondContact O-N 2.98Å; G647-Y673 CarbonylContact C-O 3.59Å |
| 648 | R | 82.5 | Confident | 86.9 | Confident | 107 Ų | 107 | 26 Ų | 26 | 40% | 0.404 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 32.2 | -179.2 | -51.9 | -67.2 | 178.2 | 162.3 | -11.2 | 113.5 | V629 E650 S671 D672 Y673 | V629-R648 HydrophobicContact CG2-CB 4.46Å; V629-R648 HydrophobicContact CG2-CG 4.39Å; R648-E650 PolarHBondContact O-N 2.86Å; R648-E650 VanDerWaalsContact O-N 3.12Å; R648-S671 CarbonylContact C-O 3.48Å; R648-D672 WeakPolarHBondContact CD-OD1 3.49Å; R648-D672 IonicContact CZ-OD1 3.92Å; R648-D672 IonicContact CZ-OD2 2.84Å; R648-D672 IonicContact NE-OD1 3.39Å; R648-D672 IonicContact NH1-OD1 2.68Å; R648-D672 PolarHBondContact NH1-OD1 3.11Å; R648-D672 IonicContact NH1-OD2 3.45Å; R648-D672 PolarHBondContact NH1-OD2 3.37Å; R648-Y673 PolarHBondContact N-O 3.23Å |
| 649 | A | 86.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 38.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G647 D669 S671 Y673 Y675 | G647-A649 PolarHBondContact O-N 2.8Å; A649-D669 VanDerWaalsContact CB-OD1 3.22Å; A649-D669 WeakPolarHBondContact CB-OD1 3.39Å; A649-S671 VanDerWaalsContact CB-OG 3.32Å; A649-S671 WeakPolarHBondContact CB-OG 3.38Å; A649-Y673 PolarHBondContact N-O 3.05Å; A649-Y675 WeakPolarHBondContact O-CE2 3.48Å |
| 650 | E | 88.5 | Confident | 86 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -95.7 | 121.7 | -178.4 | -171.1 | 160.9 | -128.5 | 0 | 0 | 111.4 | H628 V629 G646 G647 R648 L652 R666 I667 Y675 | H628-E650 VanDerWaalsContact CA-OE2 3.28Å; H628-E650 WeakPolarHBondContact CA-OE2 3.48Å; H628-E650 IonicContact ND1-OE2 3.65Å; V629-E650 PolarHBondContact N-OE2 3.16Å; G646-E650 PolarHBondContact N-O 2.91Å; G647-E650 PolarHBondContact O-N 2.98Å; R648-E650 PolarHBondContact O-N 2.86Å; R648-E650 VanDerWaalsContact O-N 3.12Å; E650-L652 HydrophobicContact CG-CD2 3.73Å; E650-L652 HydrophobicContact CG-CG 4.01Å; E650-R666 WeakPolarHBondContact OE1-CD 3.25Å; E650-R666 IonicContact OE1-CZ 3.61Å; E650-R666 IonicContact OE1-NE 3.08Å; E650-R666 PolarHBondContact OE1-NE 3.48Å; E650-R666 IonicContact OE1-NH1 3.29Å; E650-R666 PolarHBondContact OE1-NH1 2.89Å; E650-I667 WeakPolarHBondContact CA-O 3.32Å; E650-Y675 WeakPolarHBondContact O-CD2 3.48Å | ||
| 651 | L | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.7 | 173 | -172.7 | 157 | 0 | 0 | 0 | 108.5 | S644 V653 I667 Y675 L678 I692 A694 | S644-L651 WeakPolarHBondContact O-CA 3.39Å; L651-V653 HydrophobicContact CD2-CG2 4.25Å; L651-I667 HydrophobicContact CB-CB 4.36Å; L651-I667 HydrophobicContact CD2-CD1 4.44Å; L651-I667 PolarHBondContact N-O 3.03Å; L651-I667 PolarHBondContact O-N 3.41Å; L651-Y675 HydrophobicContact CB-CD2 4.27Å; L651-Y675 HydrophobicContact CB-CE2 3.7Å; L651-L678 HydrophobicContact CD1-CD1 3.74Å; L651-L678 HydrophobicContact CG-CD1 4.48Å; L651-I692 HydrophobicContact CD1-CG2 4.33Å; L651-A694 HydrophobicContact CD1-CB 3.94Å |
| 652 | L | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.6 | -176.7 | -58.4 | -171.3 | 0 | 0 | 0 | 111.1 | H628 F643 S644 E650 W654 L663 R666 | H628-L652 HydrophobicContact CB-CD1 4.49Å; F643-L652 WeakPolarHBondContact CA-O 3.48Å; S644-L652 PolarHBondContact N-O 3.22Å; S644-L652 PolarHBondContact O-N 3.04Å; E650-L652 HydrophobicContact CG-CD2 3.73Å; E650-L652 HydrophobicContact CG-CG 4.01Å; L652-W654 HydrophobicContact CB-CZ2 4.12Å; L652-W654 HydrophobicContact CD1-CH2 4.26Å; L652-W654 HydrophobicContact CD1-CZ2 3.54Å; L652-W654 HydrophobicContact CG-CZ2 4.47Å; L652-L663 HydrophobicContact CB-CD1 3.77Å; L652-L663 HydrophobicContact CD1-CD1 4.08Å; L652-L663 HydrophobicContact CD2-CD1 4.11Å; L652-L663 HydrophobicContact CG-CD1 4.2Å; L652-R666 HydrophobicContact CD2-CB 3.55Å; L652-R666 HydrophobicContact CD2-CG 3.39Å |
| 653 | V | 91.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.1 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | F641 F643 L651 V664 N665 M706 L716 | F641-V653 HydrophobicContact CD1-CG1 3.97Å; F641-V653 HydrophobicContact CE1-CG1 4.49Å; F643-V653 HydrophobicContact CD1-CB 4.35Å; F643-V653 HydrophobicContact CD1-CG1 3.98Å; F643-V653 HydrophobicContact CD1-CG2 3.85Å; F643-V653 HydrophobicContact CE1-CB 4.4Å; F643-V653 HydrophobicContact CE1-CG1 3.63Å; F643-V653 HydrophobicContact CE1-CG2 4.04Å; L651-V653 HydrophobicContact CD2-CG2 4.25Å; V653-V664 HydrophobicContact CB-CG2 4.15Å; V653-V664 HydrophobicContact CG1-CG2 3.81Å; V653-V664 VanDerWaalsContact O-CG2 3.28Å; V653-V664 WeakPolarHBondContact O-CG2 3.37Å; V653-V664 PolarHBondContact O-N 2.67Å; V653-N665 HydrophobicContact CB-CB 3.92Å; V653-N665 HydrophobicContact CG2-CB 4.12Å; V653-N665 PolarHBondContact N-O 2.93Å; V653-N665 PolarHBondContact O-N 3.04Å; V653-M706 HydrophobicContact CG1-SD 3.93Å; V653-L716 HydrophobicContact CG2-CD1 3.63Å |
| 654 | W | 89.4 | Confident | 84.7 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.2 | 179.8 | -46 | 80.7 | 0 | 0 | 0 | 108.8 | I610 L625 F641 I642 S644 L652 F661 C662 L663 | I610-W654 HydrophobicContact CD1-CZ2 4.08Å; L625-W654 HydrophobicContact CB-CD2 4.45Å; L625-W654 HydrophobicContact CB-CE3 4.03Å; L625-W654 HydrophobicContact CB-CH2 3.9Å; L625-W654 HydrophobicContact CB-CZ2 4.31Å; L625-W654 HydrophobicContact CB-CZ3 3.75Å; L625-W654 HydrophobicContact CD1-CD2 4.03Å; L625-W654 HydrophobicContact CD1-CE3 4.06Å; L625-W654 HydrophobicContact CD1-CG 4.23Å; L625-W654 HydrophobicContact CD2-CE3 4.3Å; L625-W654 HydrophobicContact CD2-CZ3 4.48Å; L625-W654 HydrophobicContact CG-CE3 4.37Å; F641-W654 CarbonylContact C-O 3.58Å; F641-W654 VanDerWaalsContact CA-O 3.25Å; F641-W654 WeakPolarHBondContact CA-O 3.4Å; I642-W654 HydrophobicContact CB-CB 4.11Å; I642-W654 HydrophobicContact CB-CG 4.43Å; I642-W654 PolarHBondContact N-O 3.19Å; I642-W654 VanDerWaalsContact O-CD1 3.26Å; I642-W654 PolarHBondContact O-N 3.29Å; S644-W654 PolarHBondContact OG-NE1 2.92Å; L652-W654 HydrophobicContact CB-CZ2 4.12Å; L652-W654 HydrophobicContact CD1-CH2 4.26Å; L652-W654 HydrophobicContact CD1-CZ2 3.54Å; L652-W654 HydrophobicContact CG-CZ2 4.47Å; W654-F661 HydrophobicContact CB-CD1 4.19Å; W654-C662 CarbonylContact C-O 3.53Å; W654-C662 VanDerWaalsContact CA-O 3.27Å; W654-C662 WeakPolarHBondContact CA-O 3.14Å; W654-L663 HydrophobicContact CD2-CD1 4.11Å; W654-L663 HydrophobicContact CE3-CB 3.82Å; W654-L663 HydrophobicContact CE3-CD1 4.17Å; W654-L663 HydrophobicContact CH2-CB 4.3Å; W654-L663 HydrophobicContact CH2-CD1 4.17Å; W654-L663 HydrophobicContact CZ2-CD1 4.11Å; W654-L663 HydrophobicContact CZ3-CB 3.66Å; W654-L663 HydrophobicContact CZ3-CD1 4.2Å; W654-L663 HydrophobicContact CZ3-CG 4.45Å |
| 655 | H | 85.1 | Confident | 84.1 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.2 | 179.1 | -177 | -124.3 | 0 | 0 | 0 | 110.2 | D640 F641 R657 F661 C662 V664 | D640-H655 CarbonylContact O-C 3.54Å; D640-H655 WeakPolarHBondContact O-CA 3.37Å; D640-H655 PolarHBondContact O-CD2 2.97Å; F641-H655 HydrophobicContact CD1-CB 3.92Å; F641-H655 AromaticContact CD1-CD2 3.71Å; F641-H655 HydrophobicContact CE1-CB 3.65Å; F641-H655 AromaticContact CE1-CD2 3.21Å; F641-H655 WeakPolarHBondContact CE1-CD2 3.35Å; F641-H655 AromaticContact CE1-CG 3.58Å; F641-H655 AromaticContact CE2-CD2 3.61Å; F641-H655 AromaticContact CE2-NE2 3.98Å; F641-H655 HydrophobicContact CZ-CB 4.46Å; F641-H655 AromaticContact CZ-CD2 3.15Å; F641-H655 WeakPolarHBondContact CZ-CD2 3.46Å; F641-H655 AromaticContact CZ-CG 3.89Å; F641-H655 AromaticContact CZ-NE2 3.64Å; H655-R657 VanDerWaalsContact ND1-CG 3.34Å; H655-R657 WeakPolarHBondContact ND1-CG 3.48Å; H655-R657 PolarHBondContact ND1-NE 2.9Å; H655-R657 PolarHBondContact O-N 3.18Å; H655-F661 WeakPolarHBondContact O-CA 3.28Å; H655-C662 PolarHBondContact N-O 2.96Å; H655-C662 PolarHBondContact O-N 3.44Å; H655-C662 PolarHBondContact O-SG 2.82Å; H655-C662 VanDerWaalsContact O-SG 3.36Å; H655-V664 HydrophobicContact CB-CB 4.37Å; H655-V664 HydrophobicContact CB-CG1 3.61Å; H655-V664 HydrophobicContact CB-CG2 3.82Å |
| 656 | C | 82.7 | Confident | 83.8 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.1 | 173.3 | -168 | 0 | 0 | 0 | 0 | 109.6 | D640 R660 F661 | D640-C656 HydrophobicContact CB-CB 4.03Å; D640-C656 PolarHBondContact O-N 3.15Å; C656-R660 CarbonylContact C-O 3.49Å; C656-R660 WeakPolarHBondContact CA-O 3.22Å; C656-F661 HydrophobicContact CB-CD1 4.1Å; C656-F661 HydrophobicContact CB-CD2 4.14Å; C656-F661 HydrophobicContact CB-CE1 3.8Å; C656-F661 HydrophobicContact CB-CE2 3.87Å; C656-F661 HydrophobicContact CB-CG 4.28Å; C656-F661 HydrophobicContact CB-CZ 3.7Å |
| 657 | R | 73.8 | Confident | 83.7 | Confident | 113 Ų | 113 | 46.1 Ų | 46.1 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123.5 | 172 | -66.1 | -176 | 173.6 | 174.7 | 1.2 | 108.1 | H655 G659 R660 G712 | H655-R657 VanDerWaalsContact ND1-CG 3.34Å; H655-R657 WeakPolarHBondContact ND1-CG 3.48Å; H655-R657 PolarHBondContact ND1-NE 2.9Å; H655-R657 PolarHBondContact O-N 3.18Å; R657-G659 VanDerWaalsContact C-N 3.27Å; R657-G659 PolarHBondContact O-N 3.41Å; R657-R660 PolarHBondContact N-O 2.89Å; R657-R660 PolarHBondContact O-N 3.36Å; R657-R660 VanDerWaalsContact O-N 3.15Å; R657-G712 PolarHBondContact NH2-O 2.97Å |
| 658 | A | 72.6 | Confident | 83.6 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 95% | 0.95 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R660 | A658-R660 VanDerWaalsContact C-N 3.31Å; A658-R660 PolarHBondContact O-N 3.2Å |
| 659 | G | 70.7 | Confident | 83.2 | Confident | 58 Ų | 58 | 48.1 Ų | 48.1 | 60% | 0.598 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 8.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | R657 | R657-G659 VanDerWaalsContact C-N 3.27Å; R657-G659 PolarHBondContact O-N 3.41Å |
| 660 | R | 78.5 | Confident | 82.8 | Confident | 188 Ų | 188 | 54.4 Ų | 54.4 | 71% | 0.709 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.4 | 174.1 | -71.2 | -172.2 | 171.8 | -169.4 | -2.3 | 111.5 | C656 R657 A658 | C656-R660 CarbonylContact C-O 3.49Å; C656-R660 WeakPolarHBondContact CA-O 3.22Å; R657-R660 PolarHBondContact N-O 2.89Å; R657-R660 PolarHBondContact O-N 3.36Å; R657-R660 VanDerWaalsContact O-N 3.15Å; A658-R660 VanDerWaalsContact C-N 3.31Å; A658-R660 PolarHBondContact O-N 3.2Å |
| 661 | F | 83.7 | Confident | 82.4 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.1 | 174 | -78.7 | -94.3 | 0 | 0 | 0 | 110.3 | L591 L612 Q623 L625 D640 I642 W654 H655 C656 | L591-F661 HydrophobicContact CD1-CE2 4.14Å; L591-F661 HydrophobicContact CD1-CZ 4.14Å; L612-F661 HydrophobicContact CD1-CB 3.95Å; L612-F661 HydrophobicContact CD1-CD2 3.29Å; L612-F661 HydrophobicContact CD1-CE2 4.01Å; L612-F661 HydrophobicContact CD1-CG 3.84Å; Q623-F661 PolarHBondContact NE2-O 2.95Å; L625-F661 HydrophobicContact CD1-CB 4.02Å; L625-F661 HydrophobicContact CD2-CB 3.84Å; D640-F661 VanDerWaalsContact O-CE1 3.27Å; D640-F661 WeakPolarHBondContact O-CE1 3.31Å; I642-F661 HydrophobicContact CB-CD1 4.48Å; I642-F661 HydrophobicContact CB-CE1 4.41Å; I642-F661 HydrophobicContact CD1-CD1 3.62Å; I642-F661 HydrophobicContact CD1-CD2 4.27Å; I642-F661 HydrophobicContact CD1-CE1 3.56Å; I642-F661 HydrophobicContact CD1-CE2 4.21Å; I642-F661 HydrophobicContact CD1-CG 3.96Å; I642-F661 HydrophobicContact CD1-CZ 3.86Å; I642-F661 HydrophobicContact CG1-CD1 3.96Å; I642-F661 HydrophobicContact CG1-CE1 3.58Å; I642-F661 HydrophobicContact CG1-CZ 4.1Å; W654-F661 HydrophobicContact CB-CD1 4.19Å; H655-F661 WeakPolarHBondContact O-CA 3.28Å; C656-F661 HydrophobicContact CB-CD1 4.1Å; C656-F661 HydrophobicContact CB-CD2 4.14Å; C656-F661 HydrophobicContact CB-CE1 3.8Å; C656-F661 HydrophobicContact CB-CE2 3.87Å; C656-F661 HydrophobicContact CB-CG 4.28Å; C656-F661 HydrophobicContact CB-CZ 3.7Å |
| 662 | C | 81.5 | Confident | 82 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.5 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | W654 H655 V664 | W654-C662 CarbonylContact C-O 3.53Å; W654-C662 VanDerWaalsContact CA-O 3.27Å; W654-C662 WeakPolarHBondContact CA-O 3.14Å; H655-C662 PolarHBondContact N-O 2.96Å; H655-C662 PolarHBondContact O-N 3.44Å; H655-C662 PolarHBondContact O-SG 2.82Å; H655-C662 VanDerWaalsContact O-SG 3.36Å; C662-V664 PolarHBondContact O-N 3.48Å |
| 663 | L | 83.2 | Confident | 81.9 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 119.4 | 176.4 | -176.4 | 65.8 | 0 | 0 | 0 | 108.9 | L652 W654 N665 | L652-L663 HydrophobicContact CB-CD1 3.77Å; L652-L663 HydrophobicContact CD1-CD1 4.08Å; L652-L663 HydrophobicContact CD2-CD1 4.11Å; L652-L663 HydrophobicContact CG-CD1 4.2Å; W654-L663 HydrophobicContact CD2-CD1 4.11Å; W654-L663 HydrophobicContact CE3-CB 3.82Å; W654-L663 HydrophobicContact CE3-CD1 4.17Å; W654-L663 HydrophobicContact CH2-CB 4.3Å; W654-L663 HydrophobicContact CH2-CD1 4.17Å; W654-L663 HydrophobicContact CZ2-CD1 4.11Å; W654-L663 HydrophobicContact CZ3-CB 3.66Å; W654-L663 HydrophobicContact CZ3-CD1 4.2Å; W654-L663 HydrophobicContact CZ3-CG 4.45Å; L663-N665 VanDerWaalsContact CD1-O 3.31Å; L663-N665 WeakPolarHBondContact CD1-O 3.19Å |
| 664 | V | 83.3 | Confident | 81.9 | Confident | 39 Ų | 39 | 71.9 Ų | 71.9 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -23.7 | 178.6 | -68.5 | 0 | 0 | 0 | 0 | 113 | V653 H655 C662 T714 | V653-V664 HydrophobicContact CB-CG2 4.15Å; V653-V664 HydrophobicContact CG1-CG2 3.81Å; V653-V664 VanDerWaalsContact O-CG2 3.28Å; V653-V664 WeakPolarHBondContact O-CG2 3.37Å; V653-V664 PolarHBondContact O-N 2.67Å; H655-V664 HydrophobicContact CB-CB 4.37Å; H655-V664 HydrophobicContact CB-CG1 3.61Å; H655-V664 HydrophobicContact CB-CG2 3.82Å; C662-V664 PolarHBondContact O-N 3.48Å; V664-T714 HydrophobicContact CG2-CG2 4.29Å |
| 665 | N | 84 | Confident | 82 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.8 | 177.6 | -140.1 | -43.4 | 0 | 0 | 0 | 112.3 | V653 L663 T714 L716 | V653-N665 HydrophobicContact CB-CB 3.92Å; V653-N665 HydrophobicContact CG2-CB 4.12Å; V653-N665 PolarHBondContact N-O 2.93Å; V653-N665 PolarHBondContact O-N 3.04Å; L663-N665 VanDerWaalsContact CD1-O 3.31Å; L663-N665 WeakPolarHBondContact CD1-O 3.19Å; N665-T714 PolarHBondContact ND2-O 2.77Å; N665-T714 VanDerWaalsContact ND2-O 3.08Å; N665-L716 HydrophobicContact CB-CD1 3.6Å |
| 666 | R | 86.4 | Confident | 82.4 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 120.3 | 179.4 | 171.4 | 176.9 | -56.5 | -143.6 | 7 | 108.9 | G627 E650 L652 | G627-R666 PolarHBondContact O-NH1 2.8Å; G627-R666 PolarHBondContact O-NH2 2.7Å; E650-R666 WeakPolarHBondContact OE1-CD 3.25Å; E650-R666 IonicContact OE1-CZ 3.61Å; E650-R666 IonicContact OE1-NE 3.08Å; E650-R666 PolarHBondContact OE1-NE 3.48Å; E650-R666 IonicContact OE1-NH1 3.29Å; E650-R666 PolarHBondContact OE1-NH1 2.89Å; L652-R666 HydrophobicContact CD2-CB 3.55Å; L652-R666 HydrophobicContact CD2-CG 3.39Å |
| 667 | I | 85.3 | Confident | 82.9 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.128 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.3 | 170 | -59.3 | 177.6 | 0 | 0 | 0 | 107.8 | E650 L651 Y704 L716 | E650-I667 WeakPolarHBondContact CA-O 3.32Å; L651-I667 HydrophobicContact CB-CB 4.36Å; L651-I667 HydrophobicContact CD2-CD1 4.44Å; L651-I667 PolarHBondContact N-O 3.03Å; L651-I667 PolarHBondContact O-N 3.41Å; I667-Y704 HydrophobicContact CD1-CD1 3.68Å; I667-Y704 HydrophobicContact CD1-CD2 3.88Å; I667-Y704 HydrophobicContact CD1-CE1 3.75Å; I667-Y704 HydrophobicContact CD1-CE2 3.93Å; I667-Y704 HydrophobicContact CD1-CG 3.74Å; I667-Y704 HydrophobicContact CG2-CE1 4.27Å; I667-Y704 HydrophobicContact CG2-CE2 4.35Å; I667-Y704 WeakPolarHBondContact CG2-OH 3.32Å; I667-L716 HydrophobicContact CD1-CB 4.03Å; I667-L716 HydrophobicContact CD1-CD1 3.68Å; I667-L716 HydrophobicContact CD1-CD2 4.33Å; I667-L716 HydrophobicContact CD1-CG 4.22Å; I667-L716 HydrophobicContact CG1-CD1 3.97Å |
| 668 | K | 82.1 | Confident | 83.9 | Confident | 92 Ų | 92 | 66 Ų | 66 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | trans | -152.1 | 138.4 | 176.2 | 175.9 | 176.5 | 179.2 | -171.6 | 0 | 109.3 | ||||
| 669 | D | 75.2 | Confident | 84.8 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | trans | -109.4 | -176.4 | 167.3 | 69.7 | 31.6 | 0 | 0 | 0 | 111.4 | A649 S671 R696 | A649-D669 VanDerWaalsContact CB-OD1 3.22Å; A649-D669 WeakPolarHBondContact CB-OD1 3.39Å; D669-S671 PolarHBondContact O-N 2.91Å; D669-S671 WeakPolarHBondContact OD1-CA 3.46Å; D669-S671 WeakPolarHBondContact OD1-CB 3.42Å; D669-S671 PolarHBondContact OD1-N 3.26Å; D669-S671 PolarHBondContact OD1-OG 3.5Å; D669-S671 PolarHBondContact OD2-OG 2.73Å; D669-R696 IonicContact OD2-NH1 2.68Å; D669-R696 PolarHBondContact OD2-NH1 3.3Å | ||
| 670 | S | 76.9 | Confident | 85.8 | Confident | 131 Ų | 131 | 58.6 Ų | 58.6 | 92% | 0.916 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -81.4 | 1.7 | -179.7 | 58.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 671 | S | 80.7 | Confident | 86.1 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | trans | -87.3 | 163.9 | -178 | 79.7 | 0 | 0 | 0 | 0 | 112.5 | R648 A649 D669 Y673 | R648-S671 CarbonylContact C-O 3.48Å; A649-S671 VanDerWaalsContact CB-OG 3.32Å; A649-S671 WeakPolarHBondContact CB-OG 3.38Å; D669-S671 PolarHBondContact O-N 2.91Å; D669-S671 WeakPolarHBondContact OD1-CA 3.46Å; D669-S671 WeakPolarHBondContact OD1-CB 3.42Å; D669-S671 PolarHBondContact OD1-N 3.26Å; D669-S671 PolarHBondContact OD1-OG 3.5Å; D669-S671 PolarHBondContact OD2-OG 2.73Å; S671-Y673 VanDerWaalsContact CB-CD2 3.47Å; S671-Y673 WeakPolarHBondContact OG-CD2 3.3Å | ||
| 672 | D | 83 | Confident | 86 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | trans | -104.6 | 13.7 | -179.7 | -78.8 | -16.5 | 0 | 0 | 0 | 113.4 | R648 | R648-D672 WeakPolarHBondContact CD-OD1 3.49Å; R648-D672 IonicContact CZ-OD1 3.92Å; R648-D672 IonicContact CZ-OD2 2.84Å; R648-D672 IonicContact NE-OD1 3.39Å; R648-D672 IonicContact NH1-OD1 2.68Å; R648-D672 PolarHBondContact NH1-OD1 3.11Å; R648-D672 IonicContact NH1-OD2 3.45Å; R648-D672 PolarHBondContact NH1-OD2 3.37Å | ||
| 673 | Y | 89.8 | Confident | 85.5 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | trans | -68.2 | 166 | -177.2 | -60 | -54.3 | 0 | 0 | 0 | 112.6 | G647 R648 A649 S671 R696 D698 | G647-Y673 CarbonylContact C-O 3.59Å; R648-Y673 PolarHBondContact N-O 3.23Å; A649-Y673 PolarHBondContact N-O 3.05Å; S671-Y673 VanDerWaalsContact CB-CD2 3.47Å; S671-Y673 WeakPolarHBondContact OG-CD2 3.3Å; Y673-R696 VanDerWaalsContact CD2-CZ 3.42Å; Y673-R696 HydrophobicContact CG-CG 4.38Å; Y673-D698 HydrophobicContact CD1-CB 3.86Å; Y673-D698 HydrophobicContact CD2-CB 4.35Å; Y673-D698 HydrophobicContact CE1-CB 3.68Å; Y673-D698 HydrophobicContact CE2-CB 4.17Å; Y673-D698 WeakPolarHBondContact CE2-OD2 3.44Å; Y673-D698 HydrophobicContact CG-CB 4.2Å | ||
| 674 | R | 91.4 | Very high | 84.7 | Confident | 141 Ų | 141 | 48.3 Ų | 48.3 | 53% | 0.532 | 24% | 0.244 | S | C | . | . | trans | -115.6 | 136 | -178.1 | -73.3 | 173.1 | -77.3 | 176 | -1.6 | 109.5 | L633 R696 S697 | L633-R674 HydrophobicContact CD1-CB 3.67Å; L633-R674 HydrophobicContact CD1-CG 3.89Å; R674-R696 CarbonylContact O-C 3.53Å; R674-R696 WeakPolarHBondContact O-CA 3.14Å; R674-R696 WeakPolarHBondContact O-CG 3.39Å; R674-S697 PolarHBondContact N-OG 3.35Å; R674-S697 PolarHBondContact O-N 2.64Å | ||
| 675 | Y | 93.2 | Very high | 83.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126 | 165.9 | -69.9 | -69.5 | 0 | 0 | 0 | 109.3 | L633 G646 A649 E650 L651 A694 A695 R696 | L633-Y675 WeakPolarHBondContact CB-O 3.44Å; G646-Y675 PolarHBondContact O-N 2.78Å; G646-Y675 VanDerWaalsContact O-N 3.08Å; A649-Y675 WeakPolarHBondContact O-CE2 3.48Å; E650-Y675 WeakPolarHBondContact O-CD2 3.48Å; L651-Y675 HydrophobicContact CB-CD2 4.27Å; L651-Y675 HydrophobicContact CB-CE2 3.7Å; Y675-A694 HydrophobicContact CD1-CB 3.54Å; Y675-A694 HydrophobicContact CE1-CB 3.72Å; Y675-A694 HydrophobicContact CG-CB 4.45Å; Y675-A695 CarbonylContact C-O 3.48Å; Y675-A695 WeakPolarHBondContact CA-O 3.36Å; Y675-R696 HydrophobicContact CD1-CB 4.33Å; Y675-R696 HydrophobicContact CD1-CG 4.49Å; Y675-R696 HydrophobicContact CE1-CB 4.47Å |
| 676 | T | 92.4 | Very high | 82.4 | Confident | 24 Ų | 24 | 53 Ų | 53 | 15% | 0.147 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -34.8 | -174.7 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | A695 Y727 V728 | T676-A695 PolarHBondContact N-O 3.23Å; T676-A695 PolarHBondContact OG1-O 2.82Å; T676-Y727 HydrophobicContact CG2-CE1 4.42Å; T676-Y727 HydrophobicContact CG2-CE2 3.92Å; T676-Y727 WeakPolarHBondContact CG2-OH 3.37Å; T676-V728 WeakPolarHBondContact CB-O 3.13Å; T676-V728 PolarHBondContact OG1-O 3.43Å |
| 677 | S | 93.5 | Very high | 81.2 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149.4 | 175 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | A694 A695 A731 | S677-A694 CarbonylContact O-C 3.09Å; S677-A694 VanDerWaalsContact O-CA 3.3Å; S677-A694 WeakPolarHBondContact O-CA 3.47Å; S677-A695 PolarHBondContact O-N 3.35Å; S677-A695 WeakPolarHBondContact OG-CB 3.33Å; S677-A731 WeakPolarHBondContact OG-CB 3.36Å |
| 678 | L | 94.5 | Very high | 80.2 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132 | -178.6 | 179.7 | 66.5 | 0 | 0 | 0 | 108.8 | C634 H636 F643 L651 I692 A694 | C634-L678 HydrophobicContact CB-CB 4.16Å; C634-L678 VanDerWaalsContact SG-CB 3.59Å; H636-L678 HydrophobicContact CB-CG 4.35Å; F643-L678 VanDerWaalsContact C-CD2 3.46Å; F643-L678 HydrophobicContact CB-CD2 3.64Å; F643-L678 HydrophobicContact CB-CG 4.31Å; F643-L678 WeakPolarHBondContact O-CD2 3.33Å; L651-L678 HydrophobicContact CD1-CD1 3.74Å; L651-L678 HydrophobicContact CG-CD1 4.48Å; L678-I692 HydrophobicContact CD1-CG2 3.66Å; L678-A694 HydrophobicContact CD1-CB 3.8Å |
| 679 | D | 92.6 | Very high | 80.1 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.9 | 175.1 | -148.6 | 3.1 | 0 | 0 | 0 | 110.6 | H636 I692 V693 K732 L733 | H636-D679 IonicContact CE1-OD1 3.57Å; H636-D679 PolarHBondContact CE1-OD1 2.85Å; H636-D679 IonicContact CG-OD1 2.89Å; H636-D679 IonicContact ND1-OD1 3.87Å; H636-D679 PolarHBondContact ND1-OD1 3.11Å; H636-D679 IonicContact NE2-OD1 2.76Å; D679-I692 WeakPolarHBondContact O-CA 3.36Å; D679-V693 PolarHBondContact N-O 3.37Å; D679-V693 PolarHBondContact O-N 2.97Å; D679-K732 VanDerWaalsContact OD2-CA 3.31Å; D679-K732 WeakPolarHBondContact OD2-CA 3.3Å; D679-L733 HydrophobicContact CB-CB 4.12Å; D679-L733 PolarHBondContact OD2-N 2.98Å |
| 680 | C | 90.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 142 | -179 | 180 | 0 | 0 | 0 | 0 | 110.8 | H636 F643 L691 I692 | H636-C680 PolarHBondContact NE2-O 3.31Å; F643-C680 HydrophobicContact CD2-CB 3.9Å; F643-C680 HydrophobicContact CE2-CB 3.83Å; F643-C680 VanDerWaalsContact CE2-SG 3.53Å; C680-L691 CarbonylContact C-O 3.53Å; C680-L691 VanDerWaalsContact CA-O 3.29Å; C680-L691 WeakPolarHBondContact CA-O 3.33Å; C680-I692 HydrophobicContact CB-CG1 4.24Å |
| 681 | Q | 85.7 | Confident | 81.2 | Confident | 54 Ų | 54 | 42.7 Ų | 42.7 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 142 | 176.4 | -168.6 | 60.8 | 15.4 | 0 | 0 | 112.2 | L683 L691 L733 R735 | Q681-L683 PolarHBondContact O-N 2.97Å; Q681-L691 PolarHBondContact N-O 2.84Å; Q681-L691 PolarHBondContact O-N 3.12Å; Q681-L733 HydrophobicContact CB-CD2 3.58Å; Q681-L733 HydrophobicContact CB-CG 4Å; Q681-R735 HydrophobicContact CG-CB 3.86Å |
| 682 | S | 80.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 128.8 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | S684 W690 R735 | S682-S684 PolarHBondContact OG-O 2.76Å; S682-W690 VanDerWaalsContact CA-CE3 3.48Å; S682-W690 VanDerWaalsContact CB-CZ3 3.47Å; S682-W690 VanDerWaalsContact N-CE3 3.27Å; S682-R735 PolarHBondContact O-NH1 3.37Å |
| 683 | L | 70.7 | Confident | 82.1 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.089 | 20% | 0.199 | C | C | . | . | trans | -86.3 | -22 | -179.9 | -66.3 | -179.8 | 0 | 0 | 0 | 113.2 | Q681 H689 L691 Q705 V759 M762 | Q681-L683 PolarHBondContact O-N 2.97Å; L683-H689 HydrophobicContact CB-CB 4.11Å; L683-H689 PolarHBondContact N-O 3.25Å; L683-L691 HydrophobicContact CD1-CB 3.96Å; L683-L691 HydrophobicContact CD2-CB 3.6Å; L683-L691 HydrophobicContact CD2-CD2 4.21Å; L683-L691 HydrophobicContact CD2-CG 4.49Å; L683-L691 HydrophobicContact CG-CB 3.81Å; L683-Q705 HydrophobicContact CD1-CG 4.27Å; L683-V759 HydrophobicContact CB-CG1 3.69Å; L683-V759 HydrophobicContact CD1-CG1 4.22Å; L683-V759 HydrophobicContact CD2-CB 4.29Å; L683-V759 HydrophobicContact CD2-CG1 3.62Å; L683-V759 HydrophobicContact CD2-CG2 3.78Å; L683-V759 HydrophobicContact CG-CG1 4.03Å; L683-M762 HydrophobicContact CD1-CE 3.49Å; L683-M762 VanDerWaalsContact CD1-CE 3.49Å; L683-M762 HydrophobicContact CD2-CE 3.9Å; L683-M762 HydrophobicContact CG-CE 4.32Å | ||
| 684 | S | 65.8 | Low | 82.2 | Confident | 27 Ų | 27 | 32 Ų | 32 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -125.7 | 153.1 | -173.6 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | S682 A686 E687 | S682-S684 PolarHBondContact OG-O 2.76Å; S684-A686 PolarHBondContact O-N 3.31Å; S684-E687 PolarHBondContact O-N 3.11Å; S684-E687 PolarHBondContact OG-N 2.78Å; S684-E687 VanDerWaalsContact OG-N 3.12Å |
| 685 | S | 60.1 | Low | 82.3 | Confident | 99 Ų | 99 | 25.2 Ų | 25.2 | 69% | 0.692 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.9 | 170 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | E687 | S685-E687 PolarHBondContact O-N 3.41Š|
| 686 | A | 59.9 | Low | 82.3 | Confident | 82 Ų | 82 | 26.2 Ų | 26.2 | 68% | 0.678 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | 0.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | S684 A688 | S684-A686 PolarHBondContact O-N 3.31Å; A686-A688 PolarHBondContact O-N 2.81Å |
| 687 | E | 60.3 | Low | 82.2 | Confident | 91 Ų | 91 | 26.3 Ų | 26.3 | 43% | 0.425 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 61.3 | 12 | 167.7 | -59 | -177 | 167.9 | 0 | 0 | 116.4 | R639 S684 S685 W690 | R639-E687 IonicContact CZ-OE1 3.9Å; R639-E687 IonicContact CZ-OE2 3.36Å; R639-E687 IonicContact NE-OE2 3.15Å; R639-E687 VanDerWaalsContact NH1-CB 3.25Å; R639-E687 IonicContact NH1-OE1 3.31Å; R639-E687 PolarHBondContact NH1-OE1 2.98Å; R639-E687 IonicContact NH1-OE2 3.52Å; R639-E687 PolarHBondContact NH1-OE2 3.47Å; R639-E687 IonicContact NH2-OE1 2.67Å; R639-E687 PolarHBondContact NH2-OE1 2.81Å; R639-E687 IonicContact NH2-OE2 3.67Å; R639-E687 PolarHBondContact NH2-OE2 3.21Å; S684-E687 PolarHBondContact O-N 3.11Å; S684-E687 PolarHBondContact OG-N 2.78Å; S684-E687 VanDerWaalsContact OG-N 3.12Å; S685-E687 PolarHBondContact O-N 3.41Å; E687-W690 PolarHBondContact O-NE1 3.41Å; E687-W690 VanDerWaalsContact O-NE1 3.09Å |
| 688 | A | 65 | Low | 82.1 | Confident | 30 Ų | 30 | 28.6 Ų | 28.6 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | trans | -87.6 | -14.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A686 M707 I708 | A686-A688 PolarHBondContact O-N 2.81Å; A688-M707 WeakPolarHBondContact O-CA 3.44Å; A688-I708 PolarHBondContact O-N 3.12Å | ||
| 689 | H | 80 | Confident | 81.8 | Confident | 67 Ų | 67 | 28.8 Ų | 28.8 | 31% | 0.31 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125 | -174.5 | -58.4 | -76.8 | 0 | 0 | 0 | 111.1 | L683 M706 M707 | L683-H689 HydrophobicContact CB-CB 4.11Å; L683-H689 PolarHBondContact N-O 3.25Å; H689-M706 WeakPolarHBondContact CA-O 3.28Å; H689-M707 WeakPolarHBondContact ND1-CG 3.4Å |
| 690 | W | 85.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.2 | -180 | -58.6 | 83.5 | 0 | 0 | 0 | 110.3 | E638 R639 S682 E687 Q705 M706 | E638-W690 HydrophobicContact CB-CZ3 4.41Å; E638-W690 HydrophobicContact CG-CE3 3.91Å; E638-W690 HydrophobicContact CG-CH2 3.47Å; E638-W690 VanDerWaalsContact CG-CH2 3.47Å; E638-W690 HydrophobicContact CG-CZ3 3.09Å; E638-W690 WeakPolarHBondContact OE1-CH2 3.37Å; R639-W690 HydrophobicContact CG-CH2 4.35Å; R639-W690 VanDerWaalsContact NH1-CH2 3.25Å; S682-W690 VanDerWaalsContact CA-CE3 3.48Å; S682-W690 VanDerWaalsContact CB-CZ3 3.47Å; S682-W690 VanDerWaalsContact N-CE3 3.27Å; E687-W690 PolarHBondContact O-NE1 3.41Å; E687-W690 VanDerWaalsContact O-NE1 3.09Å; W690-Q705 CarbonylContact O-C 3.54Å; W690-Q705 WeakPolarHBondContact O-CA 3.01Å; W690-M706 HydrophobicContact CB-CB 4.2Å; W690-M706 HydrophobicContact CB-CE 4.05Å; W690-M706 HydrophobicContact CG-CE 3.86Å; W690-M706 PolarHBondContact N-O 2.67Å; W690-M706 PolarHBondContact O-N 3.25Å |
| 691 | L | 88.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.5 | 169.9 | -173.1 | 64.1 | 0 | 0 | 0 | 108.5 | C680 Q681 L683 V693 A703 A719 F720 L733 I757 M762 | C680-L691 CarbonylContact C-O 3.53Å; C680-L691 VanDerWaalsContact CA-O 3.29Å; C680-L691 WeakPolarHBondContact CA-O 3.33Å; Q681-L691 PolarHBondContact N-O 2.84Å; Q681-L691 PolarHBondContact O-N 3.12Å; L683-L691 HydrophobicContact CD1-CB 3.96Å; L683-L691 HydrophobicContact CD2-CB 3.6Å; L683-L691 HydrophobicContact CD2-CD2 4.21Å; L683-L691 HydrophobicContact CD2-CG 4.49Å; L683-L691 HydrophobicContact CG-CB 3.81Å; L691-V693 HydrophobicContact CD2-CG2 4.09Å; L691-V693 HydrophobicContact CG-CG2 3.89Å; L691-A703 HydrophobicContact CD1-CB 3.94Å; L691-A719 HydrophobicContact CD1-CB 4.18Å; L691-F720 HydrophobicContact CD1-CE1 4.47Å; L691-L733 HydrophobicContact CB-CD2 4.32Å; L691-L733 HydrophobicContact CD2-CD2 4.18Å; L691-L733 HydrophobicContact CG-CD2 4.33Å; L691-I757 HydrophobicContact CD2-CG2 4.4Å; L691-M762 HydrophobicContact CD1-CE 3.9Å; L691-M762 HydrophobicContact CD1-SD 3.87Å; L691-M762 HydrophobicContact CD2-CE 3.94Å; L691-M762 HydrophobicContact CG-CE 4.38Å |
| 692 | I | 90.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.3 | 176.4 | -57.2 | 156 | 0 | 0 | 0 | 106.5 | F643 L651 L678 D679 C680 A703 Y704 M706 L716 | F643-I692 HydrophobicContact CD1-CD1 3.65Å; F643-I692 HydrophobicContact CD1-CG1 4Å; F643-I692 HydrophobicContact CD1-CG2 4.5Å; F643-I692 HydrophobicContact CE1-CD1 3.32Å; F643-I692 HydrophobicContact CE1-CG1 3.78Å; F643-I692 HydrophobicContact CZ-CD1 4.14Å; F643-I692 HydrophobicContact CZ-CG1 4.21Å; L651-I692 HydrophobicContact CD1-CG2 4.33Å; L678-I692 HydrophobicContact CD1-CG2 3.66Å; D679-I692 WeakPolarHBondContact O-CA 3.36Å; C680-I692 HydrophobicContact CB-CG1 4.24Å; I692-A703 CarbonylContact O-C 3.58Å; I692-A703 WeakPolarHBondContact O-CA 3.46Å; I692-Y704 PolarHBondContact N-O 3.09Å; I692-Y704 PolarHBondContact O-N 3.42Å; I692-M706 HydrophobicContact CD1-CB 3.98Å; I692-M706 HydrophobicContact CD1-SD 4.34Å; I692-L716 HydrophobicContact CD1-CD2 3.55Å |
| 693 | V | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.3 | 179.4 | -168.5 | 0 | 0 | 0 | 0 | 108.9 | D679 L691 I701 I702 A703 L733 Y743 | D679-V693 PolarHBondContact N-O 3.37Å; D679-V693 PolarHBondContact O-N 2.97Å; L691-V693 HydrophobicContact CD2-CG2 4.09Å; L691-V693 HydrophobicContact CG-CG2 3.89Å; V693-I701 HydrophobicContact CG1-CG2 3.64Å; V693-I702 WeakPolarHBondContact CA-O 3.28Å; V693-A703 HydrophobicContact CB-CB 4.5Å; V693-A703 HydrophobicContact CG1-CB 4.36Å; V693-A703 HydrophobicContact CG2-CB 3.89Å; V693-L733 HydrophobicContact CG2-CD1 4.45Å; V693-L733 HydrophobicContact CG2-CD2 3.92Å; V693-Y743 HydrophobicContact CB-CD2 4.27Å; V693-Y743 HydrophobicContact CB-CE2 3.81Å; V693-Y743 HydrophobicContact CG1-CD1 4.29Å; V693-Y743 HydrophobicContact CG1-CD2 4.02Å; V693-Y743 HydrophobicContact CG1-CE1 3.79Å; V693-Y743 HydrophobicContact CG1-CE2 3.49Å; V693-Y743 VanDerWaalsContact CG1-CE2 3.49Å; V693-Y743 HydrophobicContact CG1-CG 4.37Å |
| 694 | A | 93.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L651 Y675 S677 L678 I702 | L651-A694 HydrophobicContact CD1-CB 3.94Å; Y675-A694 HydrophobicContact CD1-CB 3.54Å; Y675-A694 HydrophobicContact CE1-CB 3.72Å; Y675-A694 HydrophobicContact CG-CB 4.45Å; S677-A694 CarbonylContact O-C 3.09Å; S677-A694 VanDerWaalsContact O-CA 3.3Å; S677-A694 WeakPolarHBondContact O-CA 3.47Å; L678-A694 HydrophobicContact CD1-CB 3.8Å; A694-I702 PolarHBondContact N-O 2.78Å; A694-I702 PolarHBondContact O-N 3Å |
| 695 | A | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 143.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y675 T676 S677 V728 | Y675-A695 CarbonylContact C-O 3.48Å; Y675-A695 WeakPolarHBondContact CA-O 3.36Å; T676-A695 PolarHBondContact N-O 3.23Å; T676-A695 PolarHBondContact OG1-O 2.82Å; S677-A695 PolarHBondContact O-N 3.35Å; S677-A695 WeakPolarHBondContact OG-CB 3.33Å; A695-V728 HydrophobicContact CB-CB 3.77Å; A695-V728 HydrophobicContact CB-CG1 3.63Å; A695-V728 HydrophobicContact CB-CG2 4.3Å |
| 696 | R | 92 | Very high | 85.5 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.3 | -175.2 | -165 | 171.1 | 74.8 | 173.6 | -4.1 | 110.6 | D669 Y673 R674 Y675 D698 A699 V700 | D669-R696 IonicContact OD2-NH1 2.68Å; D669-R696 PolarHBondContact OD2-NH1 3.3Å; Y673-R696 VanDerWaalsContact CD2-CZ 3.42Å; Y673-R696 HydrophobicContact CG-CG 4.38Å; R674-R696 CarbonylContact O-C 3.53Å; R674-R696 WeakPolarHBondContact O-CA 3.14Å; R674-R696 WeakPolarHBondContact O-CG 3.39Å; Y675-R696 HydrophobicContact CD1-CB 4.33Å; Y675-R696 HydrophobicContact CD1-CG 4.49Å; Y675-R696 HydrophobicContact CE1-CB 4.47Å; R696-D698 VanDerWaalsContact CB-OD1 3.27Å; R696-D698 WeakPolarHBondContact CB-OD1 3.44Å; R696-D698 VanDerWaalsContact CG-OD1 3.28Å; R696-D698 WeakPolarHBondContact CG-OD1 3.28Å; R696-D698 IonicContact CZ-OD1 3.39Å; R696-D698 IonicContact CZ-OD2 3.15Å; R696-D698 IonicContact NE-OD1 3.9Å; R696-D698 PolarHBondContact NE-OD1 3.32Å; R696-D698 IonicContact NE-OD2 3.1Å; R696-D698 PolarHBondContact NE-OD2 3.38Å; R696-D698 IonicContact NH2-OD1 3.64Å; R696-D698 IonicContact NH2-OD2 3.36Å; R696-D698 PolarHBondContact NH2-OD2 2.77Å; R696-D698 PolarHBondContact O-N 3.09Å; R696-A699 WeakPolarHBondContact O-CA 3.38Å; R696-A699 PolarHBondContact O-N 2.94Å; R696-V700 WeakPolarHBondContact CB-O 3.34Å; R696-V700 PolarHBondContact N-O 3.18Å |
| 697 | S | 91.1 | Very high | 86.6 | Confident | 27 Ų | 27 | 22.7 Ų | 22.7 | 19% | 0.189 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.9 | -172.5 | 60.7 | 0 | 0 | 0 | 0 | 115 | R674 Y727 | R674-S697 PolarHBondContact N-OG 3.35Å; R674-S697 PolarHBondContact O-N 2.64Å; S697-Y727 WeakPolarHBondContact O-CD2 3.45Å |
| 698 | D | 91 | Very high | 87.5 | Confident | 50 Ų | 50 | 20.7 Ų | 20.7 | 27% | 0.267 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 18.2 | 171.2 | 65.1 | -28.1 | 0 | 0 | 0 | 112.7 | Y673 R696 V700 | Y673-D698 HydrophobicContact CD1-CB 3.86Å; Y673-D698 HydrophobicContact CD2-CB 4.35Å; Y673-D698 HydrophobicContact CE1-CB 3.68Å; Y673-D698 HydrophobicContact CE2-CB 4.17Å; Y673-D698 WeakPolarHBondContact CE2-OD2 3.44Å; Y673-D698 HydrophobicContact CG-CB 4.2Å; R696-D698 VanDerWaalsContact CB-OD1 3.27Å; R696-D698 WeakPolarHBondContact CB-OD1 3.44Å; R696-D698 VanDerWaalsContact CG-OD1 3.28Å; R696-D698 WeakPolarHBondContact CG-OD1 3.28Å; R696-D698 IonicContact CZ-OD1 3.39Å; R696-D698 IonicContact CZ-OD2 3.15Å; R696-D698 IonicContact NE-OD1 3.9Å; R696-D698 PolarHBondContact NE-OD1 3.32Å; R696-D698 IonicContact NE-OD2 3.1Å; R696-D698 PolarHBondContact NE-OD2 3.38Å; R696-D698 IonicContact NH2-OD1 3.64Å; R696-D698 IonicContact NH2-OD2 3.36Å; R696-D698 PolarHBondContact NH2-OD2 2.77Å; R696-D698 PolarHBondContact O-N 3.09Å; D698-V700 PolarHBondContact O-N 3.22Å; D698-V700 PolarHBondContact OD1-N 3.34Å; D698-V700 VanDerWaalsContact OD2-CG2 3.28Å; D698-V700 WeakPolarHBondContact OD2-CG2 3.48Å |
| 699 | A | 88.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 24.1 Ų | 24.1 | 13% | 0.132 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 63.5 | 15.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R696 S724 S726 | R696-A699 WeakPolarHBondContact O-CA 3.38Å; R696-A699 PolarHBondContact O-N 2.94Å; A699-S724 WeakPolarHBondContact O-CA 3.47Å; A699-S724 WeakPolarHBondContact O-CB 3.28Å; A699-S724 PolarHBondContact O-N 3.15Å; A699-S726 VanDerWaalsContact CB-O 3.32Å; A699-S726 WeakPolarHBondContact CB-O 3.41Å |
| 700 | V | 90.2 | Very high | 87 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.4 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | R696 D698 I702 | R696-V700 WeakPolarHBondContact CB-O 3.34Å; R696-V700 PolarHBondContact N-O 3.18Å; D698-V700 PolarHBondContact O-N 3.22Å; D698-V700 PolarHBondContact OD1-N 3.34Å; D698-V700 VanDerWaalsContact OD2-CG2 3.28Å; D698-V700 WeakPolarHBondContact OD2-CG2 3.48Å; V700-I702 HydrophobicContact CG1-CD1 4.29Å; V700-I702 HydrophobicContact CG1-CG1 3.75Å |
| 701 | I | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.4 | 169.7 | -66.3 | 156.9 | 0 | 0 | 0 | 107.9 | V693 Q721 W722 Y743 V745 W769 | V693-I701 HydrophobicContact CG1-CG2 3.64Å; I701-Q721 CarbonylContact O-C 3.48Å; I701-Q721 WeakPolarHBondContact O-CA 3.43Å; I701-W722 HydrophobicContact CD1-CZ2 4.44Å; I701-W722 HydrophobicContact CG2-CZ2 4.08Å; I701-W722 PolarHBondContact N-O 3.47Å; I701-W722 PolarHBondContact O-N 3.01Å; I701-Y743 HydrophobicContact CB-CE1 4.5Å; I701-Y743 HydrophobicContact CD1-CD1 4.5Å; I701-Y743 HydrophobicContact CD1-CE1 3.86Å; I701-Y743 HydrophobicContact CG1-CE1 4.07Å; I701-Y743 HydrophobicContact CG2-CD1 4.31Å; I701-Y743 HydrophobicContact CG2-CE1 3.61Å; I701-V745 HydrophobicContact CD1-CG1 4.18Å; I701-W769 HydrophobicContact CD1-CH2 3.36Å; I701-W769 HydrophobicContact CD1-CZ2 3.33Å |
| 702 | I | 89.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.5 | -179.3 | -50.7 | 179.7 | 0 | 0 | 0 | 108.2 | V693 A694 V700 Y704 L718 Q721 | V693-I702 WeakPolarHBondContact CA-O 3.28Å; A694-I702 PolarHBondContact N-O 2.78Å; A694-I702 PolarHBondContact O-N 3Å; V700-I702 HydrophobicContact CG1-CD1 4.29Å; V700-I702 HydrophobicContact CG1-CG1 3.75Å; I702-Y704 HydrophobicContact CB-CE2 4.26Å; I702-Y704 HydrophobicContact CG2-CD2 4.13Å; I702-Y704 HydrophobicContact CG2-CE1 4.29Å; I702-Y704 HydrophobicContact CG2-CE2 3.4Å; I702-Y704 VanDerWaalsContact CG2-CZ 3.49Å; I702-L718 HydrophobicContact CG2-CD1 3.43Å; I702-L718 VanDerWaalsContact CG2-CD1 3.43Å; I702-Q721 HydrophobicContact CG1-CB 4.25Å; I702-Q721 HydrophobicContact CG2-CB 4.41Å |
| 703 | A | 90.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L691 I692 V693 A719 F720 | L691-A703 HydrophobicContact CD1-CB 3.94Å; I692-A703 CarbonylContact O-C 3.58Å; I692-A703 WeakPolarHBondContact O-CA 3.46Å; V693-A703 HydrophobicContact CB-CB 4.5Å; V693-A703 HydrophobicContact CG1-CB 4.36Å; V693-A703 HydrophobicContact CG2-CB 3.89Å; A703-A719 HydrophobicContact CB-CB 4.37Å; A703-A719 WeakPolarHBondContact O-CB 3.32Å; A703-A719 PolarHBondContact O-N 2.84Å; A703-F720 HydrophobicContact CB-CD1 4.05Å; A703-F720 HydrophobicContact CB-CD2 3.57Å; A703-F720 HydrophobicContact CB-CE1 3.66Å; A703-F720 HydrophobicContact CB-CE2 3.13Å; A703-F720 HydrophobicContact CB-CG 4.03Å; A703-F720 HydrophobicContact CB-CZ 3.18Å; A703-F720 PolarHBondContact N-O 3.45Å; A703-F720 PolarHBondContact O-N 3.33Å |
| 704 | Y | 89.7 | Confident | 82.6 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.9 | 175.4 | -63.2 | -81.2 | 0 | 0 | 0 | 109.8 | I667 I692 I702 N717 L718 | I667-Y704 HydrophobicContact CD1-CD1 3.68Å; I667-Y704 HydrophobicContact CD1-CD2 3.88Å; I667-Y704 HydrophobicContact CD1-CE1 3.75Å; I667-Y704 HydrophobicContact CD1-CE2 3.93Å; I667-Y704 HydrophobicContact CD1-CG 3.74Å; I667-Y704 HydrophobicContact CG2-CE1 4.27Å; I667-Y704 HydrophobicContact CG2-CE2 4.35Å; I667-Y704 WeakPolarHBondContact CG2-OH 3.32Å; I692-Y704 PolarHBondContact N-O 3.09Å; I692-Y704 PolarHBondContact O-N 3.42Å; I702-Y704 HydrophobicContact CB-CE2 4.26Å; I702-Y704 HydrophobicContact CG2-CD2 4.13Å; I702-Y704 HydrophobicContact CG2-CE1 4.29Å; I702-Y704 HydrophobicContact CG2-CE2 3.4Å; I702-Y704 VanDerWaalsContact CG2-CZ 3.49Å; Y704-N717 CarbonylContact C-O 3.46Å; Y704-N717 VanDerWaalsContact CA-O 3.26Å; Y704-N717 WeakPolarHBondContact CA-O 3.2Å; Y704-L718 HydrophobicContact CD1-CB 4.25Å; Y704-L718 HydrophobicContact CD1-CD1 4.19Å; Y704-L718 HydrophobicContact CE1-CB 4.1Å; Y704-L718 HydrophobicContact CE1-CD1 3.76Å |
| 705 | Q | 87.2 | Confident | 81.9 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 119.9 | 167.6 | -169 | 177.8 | 7.8 | 0 | 0 | 108.6 | L683 W690 L716 N717 A719 | L683-Q705 HydrophobicContact CD1-CG 4.27Å; W690-Q705 CarbonylContact O-C 3.54Å; W690-Q705 WeakPolarHBondContact O-CA 3.01Å; Q705-L716 WeakPolarHBondContact O-CA 3.28Å; Q705-N717 PolarHBondContact N-O 2.83Å; Q705-N717 PolarHBondContact O-N 2.07Å; Q705-A719 HydrophobicContact CB-CB 4.31Å |
| 706 | M | 87.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.6 | 172.6 | -169.3 | 178.7 | 67.4 | 0 | 0 | 109.4 | F641 F643 V653 H689 W690 I692 I708 T714 K715 L716 | F641-M706 HydrophobicContact CD1-CE 4.24Å; F641-M706 HydrophobicContact CD2-CE 4.49Å; F641-M706 HydrophobicContact CE1-CE 4.17Å; F641-M706 HydrophobicContact CE2-CE 4.43Å; F641-M706 HydrophobicContact CG-CE 4.39Å; F641-M706 HydrophobicContact CZ-CE 4.26Å; F643-M706 HydrophobicContact CE1-CE 4Å; F643-M706 HydrophobicContact CE1-SD 3.99Å; F643-M706 HydrophobicContact CZ-CE 3.77Å; F643-M706 HydrophobicContact CZ-SD 4.38Å; V653-M706 HydrophobicContact CG1-SD 3.93Å; H689-M706 WeakPolarHBondContact CA-O 3.28Å; W690-M706 HydrophobicContact CB-CB 4.2Å; W690-M706 HydrophobicContact CB-CE 4.05Å; W690-M706 HydrophobicContact CG-CE 3.86Å; W690-M706 PolarHBondContact N-O 2.67Å; W690-M706 PolarHBondContact O-N 3.25Å; I692-M706 HydrophobicContact CD1-CB 3.98Å; I692-M706 HydrophobicContact CD1-SD 4.34Å; M706-I708 HydrophobicContact CE-CG1 4.49Å; M706-T714 HydrophobicContact CG-CG2 4.39Å; M706-T714 HydrophobicContact SD-CG2 3.88Å; M706-K715 CarbonylContact C-O 3.47Å; M706-K715 WeakPolarHBondContact CA-O 3.41Å; M706-L716 HydrophobicContact CB-CD2 3.65Å; M706-L716 HydrophobicContact CB-CG 4.44Å; M706-L716 HydrophobicContact CG-CD2 3.93Å; M706-L716 HydrophobicContact CG-CG 4.27Å; M706-L716 HydrophobicContact SD-CD2 4.46Å |
| 707 | M | 82.8 | Confident | 81.2 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.1 | 171.3 | -56.6 | -167 | -70.6 | 0 | 0 | 109.5 | A688 H689 T714 K715 | A688-M707 WeakPolarHBondContact O-CA 3.44Å; H689-M707 WeakPolarHBondContact ND1-CG 3.4Å; M707-T714 WeakPolarHBondContact O-CA 3.22Å; M707-K715 PolarHBondContact N-O 3.48Å; M707-K715 PolarHBondContact O-N 3.06Å |
| 708 | I | 77.7 | Confident | 81 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116 | 175.4 | -54.1 | 170.4 | 0 | 0 | 0 | 107.2 | F641 A688 M706 T714 | F641-I708 HydrophobicContact CE2-CD1 3.59Å; F641-I708 HydrophobicContact CZ-CD1 3.62Å; F641-I708 HydrophobicContact CZ-CG1 4.21Å; A688-I708 PolarHBondContact O-N 3.12Å; M706-I708 HydrophobicContact CE-CG1 4.49Å; I708-T714 HydrophobicContact CG1-CG2 4.42Å |
| 709 | D | 70.4 | Confident | 80.6 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | trans | -75.7 | 167.2 | 175.2 | -156.4 | -5.2 | 0 | 0 | 0 | 111.1 | D711 G712 L713 | D709-D711 PolarHBondContact O-N 3.18Å; D709-D711 VanDerWaalsContact O-N 3.11Å; D709-G712 PolarHBondContact O-N 3.35Å; D709-L713 PolarHBondContact N-O 3.39Å | ||
| 710 | R | 64.9 | Low | 80.4 | Confident | 245 Ų | 245 | 56.8 Ų | 56.8 | 93% | 0.925 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.6 | 179.3 | -68.2 | -173.7 | 177.8 | -170.3 | 0.2 | 113.1 | G712 | R710-G712 PolarHBondContact O-N 3.11Š|
| 711 | D | 61 | Low | 80.2 | Confident | 132 Ų | 132 | 60.8 Ų | 60.8 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.6 | 177.2 | -63.1 | -26.5 | 0 | 0 | 0 | 113.6 | D709 L713 | D709-D711 PolarHBondContact O-N 3.18Å; D709-D711 VanDerWaalsContact O-N 3.11Å; D711-L713 HydrophobicContact CB-CD1 4.21Å; D711-L713 PolarHBondContact O-N 3.1Å |
| 712 | G | 65 | Low | 79.9 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 72.5 | 15.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R657 D709 R710 | R657-G712 PolarHBondContact NH2-O 2.97Å; D709-G712 PolarHBondContact O-N 3.35Å; R710-G712 PolarHBondContact O-N 3.11Å |
| 713 | L | 65.7 | Low | 79.5 | Confident | 108 Ų | 108 | 65 Ų | 65 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | trans | -77.9 | 134.8 | 171.2 | -80 | 155 | 0 | 0 | 0 | 109.7 | D709 D711 | D709-L713 PolarHBondContact N-O 3.39Å; D711-L713 HydrophobicContact CB-CD1 4.21Å; D711-L713 PolarHBondContact O-N 3.1Å | ||
| 714 | T | 72.9 | Confident | 79.1 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.8 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 110 | F641 V664 N665 M706 M707 I708 | F641-T714 HydrophobicContact CE1-CG2 3.78Å; F641-T714 HydrophobicContact CZ-CG2 4.15Å; V664-T714 HydrophobicContact CG2-CG2 4.29Å; N665-T714 PolarHBondContact ND2-O 2.77Å; N665-T714 VanDerWaalsContact ND2-O 3.08Å; M706-T714 HydrophobicContact CG-CG2 4.39Å; M706-T714 HydrophobicContact SD-CG2 3.88Å; M707-T714 WeakPolarHBondContact O-CA 3.22Å; I708-T714 HydrophobicContact CG1-CG2 4.42Å |
| 715 | K | 79.3 | Confident | 78.7 | Confident | 129 Ų | 129 | 68.7 Ų | 68.7 | 56% | 0.561 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.6 | 170.6 | -171.2 | 175.9 | -179.3 | 179.6 | 0 | 109.1 | M706 M707 N717 | M706-K715 CarbonylContact C-O 3.47Å; M706-K715 WeakPolarHBondContact CA-O 3.41Å; M707-K715 PolarHBondContact N-O 3.48Å; M707-K715 PolarHBondContact O-N 3.06Å; K715-N717 WeakPolarHBondContact CE-OD1 3.34Å |
| 716 | L | 84.7 | Confident | 78.8 | Confident | 28 Ų | 28 | 67 Ų | 67 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.4 | 175.1 | -75.2 | 157.3 | 0 | 0 | 0 | 109.2 | V653 N665 I667 I692 Q705 M706 | V653-L716 HydrophobicContact CG2-CD1 3.63Å; N665-L716 HydrophobicContact CB-CD1 3.6Å; I667-L716 HydrophobicContact CD1-CB 4.03Å; I667-L716 HydrophobicContact CD1-CD1 3.68Å; I667-L716 HydrophobicContact CD1-CD2 4.33Å; I667-L716 HydrophobicContact CD1-CG 4.22Å; I667-L716 HydrophobicContact CG1-CD1 3.97Å; I692-L716 HydrophobicContact CD1-CD2 3.55Å; Q705-L716 WeakPolarHBondContact O-CA 3.28Å; M706-L716 HydrophobicContact CB-CD2 3.65Å; M706-L716 HydrophobicContact CB-CG 4.44Å; M706-L716 HydrophobicContact CG-CD2 3.93Å; M706-L716 HydrophobicContact CG-CG 4.27Å; M706-L716 HydrophobicContact SD-CD2 4.46Å |
| 717 | N | 84.7 | Confident | 79 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.1 | 171.5 | -63.8 | -33.9 | 0 | 0 | 0 | 108.8 | Y704 Q705 K715 A719 | Y704-N717 CarbonylContact C-O 3.46Å; Y704-N717 VanDerWaalsContact CA-O 3.26Å; Y704-N717 WeakPolarHBondContact CA-O 3.2Å; Q705-N717 PolarHBondContact N-O 2.83Å; Q705-N717 PolarHBondContact O-N 2.07Å; K715-N717 WeakPolarHBondContact CE-OD1 3.34Å; N717-A719 PolarHBondContact O-N 3.48Å |
| 718 | L | 86.3 | Confident | 79.5 | Confident | 88 Ų | 88 | 68 Ų | 68 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 117.4 | 170.4 | 179.6 | 68.4 | 0 | 0 | 0 | 108.4 | I702 Y704 | I702-L718 HydrophobicContact CG2-CD1 3.43Å; I702-L718 VanDerWaalsContact CG2-CD1 3.43Å; Y704-L718 HydrophobicContact CD1-CB 4.25Å; Y704-L718 HydrophobicContact CD1-CD1 4.19Å; Y704-L718 HydrophobicContact CE1-CB 4.1Å; Y704-L718 HydrophobicContact CE1-CD1 3.76Å |
| 719 | A | 83.1 | Confident | 80.2 | Confident | 26 Ų | 26 | 69.4 Ų | 69.4 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -51.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L691 A703 Q705 N717 M762 | L691-A719 HydrophobicContact CD1-CB 4.18Å; A703-A719 HydrophobicContact CB-CB 4.37Å; A703-A719 WeakPolarHBondContact O-CB 3.32Å; A703-A719 PolarHBondContact O-N 2.84Å; Q705-A719 HydrophobicContact CB-CB 4.31Å; N717-A719 PolarHBondContact O-N 3.48Å; A719-M762 HydrophobicContact CB-SD 3.79Å |
| 720 | F | 83.8 | Confident | 81.4 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 162 | 176 | 53 | -103.1 | 0 | 0 | 0 | 111 | L691 A703 W722 I757 M762 V765 | L691-F720 HydrophobicContact CD1-CE1 4.47Å; A703-F720 HydrophobicContact CB-CD1 4.05Å; A703-F720 HydrophobicContact CB-CD2 3.57Å; A703-F720 HydrophobicContact CB-CE1 3.66Å; A703-F720 HydrophobicContact CB-CE2 3.13Å; A703-F720 HydrophobicContact CB-CG 4.03Å; A703-F720 HydrophobicContact CB-CZ 3.18Å; A703-F720 PolarHBondContact N-O 3.45Å; A703-F720 PolarHBondContact O-N 3.33Å; F720-W722 HydrophobicContact CB-CZ3 4.5Å; F720-W722 HydrophobicContact CD1-CZ3 4.38Å; F720-W722 HydrophobicContact CD2-CD2 4.45Å; F720-W722 AromaticContact CD2-CE3 3.43Å; F720-W722 HydrophobicContact CD2-CE3 3.43Å; F720-W722 VanDerWaalsContact CD2-CE3 3.43Å; F720-W722 AromaticContact CD2-CH2 3.72Å; F720-W722 HydrophobicContact CD2-CH2 3.72Å; F720-W722 AromaticContact CD2-CZ3 2.99Å; F720-W722 HydrophobicContact CD2-CZ3 2.99Å; F720-W722 HydrophobicContact CE1-CZ3 4.39Å; F720-W722 AromaticContact CE2-CE3 3.84Å; F720-W722 HydrophobicContact CE2-CE3 3.84Å; F720-W722 AromaticContact CE2-CH2 3.19Å; F720-W722 HydrophobicContact CE2-CH2 3.19Å; F720-W722 HydrophobicContact CE2-CZ2 4.19Å; F720-W722 AromaticContact CE2-CZ3 3Å; F720-W722 HydrophobicContact CE2-CZ3 3Å; F720-W722 HydrophobicContact CG-CE3 4.18Å; F720-W722 AromaticContact CG-CZ3 3.73Å; F720-W722 HydrophobicContact CG-CZ3 3.73Å; F720-W722 AromaticContact CZ-CH2 3.8Å; F720-W722 HydrophobicContact CZ-CH2 3.8Å; F720-W722 AromaticContact CZ-CZ3 3.76Å; F720-W722 HydrophobicContact CZ-CZ3 3.76Å; F720-I757 HydrophobicContact CE1-CG2 4.31Å; F720-I757 HydrophobicContact CZ-CD1 3.94Å; F720-M762 HydrophobicContact CD1-SD 4.38Å; F720-M762 HydrophobicContact CE1-SD 4.12Å; F720-V765 HydrophobicContact CD1-CG2 4.45Å |
| 721 | Q | 85.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 54.1 Ų | 54.1 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 139.6 | 167.2 | 59.9 | 178.2 | -13.1 | 0 | 0 | 110 | I701 I702 | I701-Q721 CarbonylContact O-C 3.48Å; I701-Q721 WeakPolarHBondContact O-CA 3.43Å; I702-Q721 HydrophobicContact CG1-CB 4.25Å; I702-Q721 HydrophobicContact CG2-CB 4.41Å |
| 722 | W | 85.4 | Confident | 84.3 | Confident | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.9 | 173.7 | 66.3 | 74.1 | 0 | 0 | 0 | 111.5 | I701 F720 Y743 K755 V765 K767 W769 | I701-W722 HydrophobicContact CD1-CZ2 4.44Å; I701-W722 HydrophobicContact CG2-CZ2 4.08Å; I701-W722 PolarHBondContact N-O 3.47Å; I701-W722 PolarHBondContact O-N 3.01Å; F720-W722 HydrophobicContact CB-CZ3 4.5Å; F720-W722 HydrophobicContact CD1-CZ3 4.38Å; F720-W722 HydrophobicContact CD2-CD2 4.45Å; F720-W722 AromaticContact CD2-CE3 3.43Å; F720-W722 HydrophobicContact CD2-CE3 3.43Å; F720-W722 VanDerWaalsContact CD2-CE3 3.43Å; F720-W722 AromaticContact CD2-CH2 3.72Å; F720-W722 HydrophobicContact CD2-CH2 3.72Å; F720-W722 AromaticContact CD2-CZ3 2.99Å; F720-W722 HydrophobicContact CD2-CZ3 2.99Å; F720-W722 HydrophobicContact CE1-CZ3 4.39Å; F720-W722 AromaticContact CE2-CE3 3.84Å; F720-W722 HydrophobicContact CE2-CE3 3.84Å; F720-W722 AromaticContact CE2-CH2 3.19Å; F720-W722 HydrophobicContact CE2-CH2 3.19Å; F720-W722 HydrophobicContact CE2-CZ2 4.19Å; F720-W722 AromaticContact CE2-CZ3 3Å; F720-W722 HydrophobicContact CE2-CZ3 3Å; F720-W722 HydrophobicContact CG-CE3 4.18Å; F720-W722 AromaticContact CG-CZ3 3.73Å; F720-W722 HydrophobicContact CG-CZ3 3.73Å; F720-W722 AromaticContact CZ-CH2 3.8Å; F720-W722 HydrophobicContact CZ-CH2 3.8Å; F720-W722 AromaticContact CZ-CZ3 3.76Å; F720-W722 HydrophobicContact CZ-CZ3 3.76Å; W722-Y743 HydrophobicContact CZ2-CD1 4.43Å; W722-K755 HydrophobicContact CH2-CD 3.43Å; W722-K755 VanDerWaalsContact CH2-CD 3.43Å; W722-K755 HydrophobicContact CZ2-CD 3.45Å; W722-K755 VanDerWaalsContact CZ2-CD 3.45Å; W722-K755 HydrophobicContact CZ3-CD 4.06Å; W722-V765 HydrophobicContact CE3-CG1 4.08Å; W722-V765 HydrophobicContact CH2-CG1 4.29Å; W722-V765 HydrophobicContact CZ3-CG1 3.5Å; W722-V765 VanDerWaalsContact CZ3-CG1 3.5Å; W722-K767 HydrophobicContact CB-CG 4.46Å; W722-W769 AromaticContact NE1-CZ2 3.84Å |
| 723 | P | 82 | Confident | 85.4 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 133.8 | 171.5 | 30.7 | -33.2 | 0 | 0 | 0 | 110.6 | ||
| 724 | S | 80.5 | Confident | 86.4 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -74.4 | 166 | 162.2 | -171.6 | 0 | 0 | 0 | 0 | 110 | A699 S726 | A699-S724 WeakPolarHBondContact O-CA 3.47Å; A699-S724 WeakPolarHBondContact O-CB 3.28Å; A699-S724 PolarHBondContact O-N 3.15Å; S724-S726 PolarHBondContact OG-O 3.06Å | ||
| 725 | V | 80.9 | Confident | 86.8 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 56% | 0.564 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.9 | -37.6 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | Y753 | V725-Y753 HydrophobicContact CB-CE1 4.44Å; V725-Y753 HydrophobicContact CB-CE2 4.27Å; V725-Y753 HydrophobicContact CG2-CE1 3.86Å; V725-Y753 HydrophobicContact CG2-CE2 4.48Å |
| 726 | S | 89.4 | Confident | 86.7 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -150.7 | -177.8 | 178.2 | 76.6 | 0 | 0 | 0 | 0 | 111.7 | A699 S724 V728 C747 S748 D749 | A699-S726 VanDerWaalsContact CB-O 3.32Å; A699-S726 WeakPolarHBondContact CB-O 3.41Å; S724-S726 PolarHBondContact OG-O 3.06Å; S726-V728 PolarHBondContact O-N 3.41Å; S726-C747 WeakPolarHBondContact OG-CB 3.45Å; S726-S748 VanDerWaalsContact CB-OG 3.31Å; S726-S748 WeakPolarHBondContact CB-OG 3.4Å; S726-S748 PolarHBondContact OG-OG 2.87Å; S726-S748 VanDerWaalsContact OG-OG 3.07Å; S726-D749 VanDerWaalsContact OG-CG 3.29Å; S726-D749 PolarHBondContact OG-N 3.41Å; S726-D749 PolarHBondContact OG-OD1 2.93Å |
| 727 | Y | 92.1 | Very high | 86.1 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | trans | -60.5 | 129.1 | -175.9 | -178.4 | -87 | 0 | 0 | 0 | 111.2 | T676 S697 F729 C747 S748 | T676-Y727 HydrophobicContact CG2-CE1 4.42Å; T676-Y727 HydrophobicContact CG2-CE2 3.92Å; T676-Y727 WeakPolarHBondContact CG2-OH 3.37Å; S697-Y727 WeakPolarHBondContact O-CD2 3.45Å; Y727-F729 HydrophobicContact CD1-CD1 4.4Å; Y727-F729 AromaticContact CD1-CD2 3.89Å; Y727-F729 HydrophobicContact CD1-CD2 3.89Å; Y727-F729 HydrophobicContact CD1-CE1 4.33Å; Y727-F729 AromaticContact CD1-CE2 3.81Å; Y727-F729 HydrophobicContact CD1-CE2 3.81Å; Y727-F729 HydrophobicContact CD1-CG 4.2Å; Y727-F729 HydrophobicContact CD1-CZ 4.04Å; Y727-F729 AromaticContact CE1-CD1 3.96Å; Y727-F729 HydrophobicContact CE1-CD1 3.96Å; Y727-F729 HydrophobicContact CE1-CD2 4.26Å; Y727-F729 AromaticContact CE1-CE1 3.98Å; Y727-F729 HydrophobicContact CE1-CE1 3.98Å; Y727-F729 HydrophobicContact CE1-CE2 4.27Å; Y727-F729 HydrophobicContact CE1-CG 4.11Å; Y727-F729 HydrophobicContact CE1-CZ 4.14Å; Y727-C747 CarbonylContact O-C 3.6Å; Y727-C747 VanDerWaalsContact O-CA 3.26Å; Y727-C747 WeakPolarHBondContact O-CA 3.09Å; Y727-S748 PolarHBondContact N-OG 2.72Å; Y727-S748 PolarHBondContact O-N 3.13Å | ||
| 728 | V | 93.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.5 | -178.9 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | T676 A695 S726 D730 A731 V745 | T676-V728 WeakPolarHBondContact CB-O 3.13Å; T676-V728 PolarHBondContact OG1-O 3.43Å; A695-V728 HydrophobicContact CB-CB 3.77Å; A695-V728 HydrophobicContact CB-CG1 3.63Å; A695-V728 HydrophobicContact CB-CG2 4.3Å; S726-V728 PolarHBondContact O-N 3.41Å; V728-D730 WeakPolarHBondContact CG1-O 3.39Å; V728-A731 HydrophobicContact CG1-CB 4.32Å; V728-V745 HydrophobicContact CG1-CB 3.94Å; V728-V745 HydrophobicContact CG1-CG1 4.12Å; V728-V745 HydrophobicContact CG2-CB 4.3Å; V728-V745 HydrophobicContact CG2-CG2 4.49Å |
| 729 | F | 93.3 | Very high | 84.4 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 35% | 0.346 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -44.8 | 176.6 | -80.3 | -85.1 | 0 | 0 | 0 | 112.3 | Y727 V746 A779 L780 T781 | Y727-F729 HydrophobicContact CD1-CD1 4.4Å; Y727-F729 AromaticContact CD1-CD2 3.89Å; Y727-F729 HydrophobicContact CD1-CD2 3.89Å; Y727-F729 HydrophobicContact CD1-CE1 4.33Å; Y727-F729 AromaticContact CD1-CE2 3.81Å; Y727-F729 HydrophobicContact CD1-CE2 3.81Å; Y727-F729 HydrophobicContact CD1-CG 4.2Å; Y727-F729 HydrophobicContact CD1-CZ 4.04Å; Y727-F729 AromaticContact CE1-CD1 3.96Å; Y727-F729 HydrophobicContact CE1-CD1 3.96Å; Y727-F729 HydrophobicContact CE1-CD2 4.26Å; Y727-F729 AromaticContact CE1-CE1 3.98Å; Y727-F729 HydrophobicContact CE1-CE1 3.98Å; Y727-F729 HydrophobicContact CE1-CE2 4.27Å; Y727-F729 HydrophobicContact CE1-CG 4.11Å; Y727-F729 HydrophobicContact CE1-CZ 4.14Å; F729-V746 PolarHBondContact N-O 3.03Å; F729-A779 HydrophobicContact CD2-CB 4.49Å; F729-A779 HydrophobicContact CE2-CB 3.8Å; F729-A779 HydrophobicContact CZ-CB 4.33Å; F729-L780 WeakPolarHBondContact CB-O 3.02Å; F729-L780 WeakPolarHBondContact CD2-O 3.43Å; F729-T781 HydrophobicContact CD1-CG2 4.44Å |
| 730 | D | 94.6 | Very high | 84 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.3 | 177.9 | -165.3 | 11.3 | 0 | 0 | 0 | 110.3 | V728 K732 V745 V746 L783 | V728-D730 WeakPolarHBondContact CG1-O 3.39Å; D730-K732 VanDerWaalsContact CG-NZ 3.29Å; D730-K732 IonicContact OD1-NZ 3.54Å; D730-K732 PolarHBondContact OD1-NZ 3.34Å; D730-K732 IonicContact OD2-NZ 2.81Å; D730-K732 PolarHBondContact OD2-NZ 3.2Å; D730-K732 VanDerWaalsContact OD2-NZ 3.13Å; D730-V745 WeakPolarHBondContact O-CA 3.28Å; D730-V746 HydrophobicContact CB-CG2 3.68Å; D730-V746 VanDerWaalsContact O-CG2 3.32Å; D730-V746 WeakPolarHBondContact O-CG2 3.34Å; D730-V746 PolarHBondContact O-N 3.12Å; D730-L783 HydrophobicContact CB-CB 4.2Å; D730-L783 PolarHBondContact OD2-N 3.03Å; D730-L783 VanDerWaalsContact OD2-N 3.08Å; D730-L783 VanDerWaalsContact OD2-O 3.07Å |
| 731 | A | 94.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S677 V728 Y743 A744 V745 | S677-A731 WeakPolarHBondContact OG-CB 3.36Å; V728-A731 HydrophobicContact CG1-CB 4.32Å; A731-Y743 HydrophobicContact CB-CE1 4.36Å; A731-Y743 HydrophobicContact CB-CE2 3.7Å; A731-Y743 VanDerWaalsContact CB-CZ 3.46Å; A731-Y743 WeakPolarHBondContact CB-OH 3.22Å; A731-A744 CarbonylContact C-O 3.52Å; A731-A744 VanDerWaalsContact CA-O 3.24Å; A731-A744 WeakPolarHBondContact CA-O 3.26Å; A731-V745 HydrophobicContact CB-CG1 3.73Å |
| 732 | K | 92.3 | Very high | 83.8 | Confident | 24 Ų | 24 | 40.5 Ų | 40.5 | 10% | 0.104 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.3 | 178.6 | -64.8 | -69.8 | 167.8 | -82.8 | 0 | 111.3 | D679 D730 I734 Y743 A744 L783 | D679-K732 VanDerWaalsContact OD2-CA 3.31Å; D679-K732 WeakPolarHBondContact OD2-CA 3.3Å; D730-K732 VanDerWaalsContact CG-NZ 3.29Å; D730-K732 IonicContact OD1-NZ 3.54Å; D730-K732 PolarHBondContact OD1-NZ 3.34Å; D730-K732 IonicContact OD2-NZ 2.81Å; D730-K732 PolarHBondContact OD2-NZ 3.2Å; D730-K732 VanDerWaalsContact OD2-NZ 3.13Å; K732-I734 HydrophobicContact CB-CD1 4.46Å; K732-Y743 WeakPolarHBondContact O-CA 3.41Å; K732-A744 PolarHBondContact N-O 2.78Å; K732-A744 PolarHBondContact O-N 3.37Å; K732-L783 HydrophobicContact CB-CD2 4.23Å; K732-L783 VanDerWaalsContact CE-O 3.23Å; K732-L783 WeakPolarHBondContact CE-O 3.17Å; K732-L783 HydrophobicContact CG-CB 4.46Å; K732-L783 HydrophobicContact CG-CD2 4.17Å; K732-L783 HydrophobicContact CG-CG 4.1Å |
| 733 | L | 89.7 | Confident | 83.9 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.8 | 174.5 | -177.5 | 65.4 | 0 | 0 | 0 | 109.1 | D679 Q681 L691 V693 A741 V742 Y743 I757 | D679-L733 HydrophobicContact CB-CB 4.12Å; D679-L733 PolarHBondContact OD2-N 2.98Å; Q681-L733 HydrophobicContact CB-CD2 3.58Å; Q681-L733 HydrophobicContact CB-CG 4Å; L691-L733 HydrophobicContact CB-CD2 4.32Å; L691-L733 HydrophobicContact CD2-CD2 4.18Å; L691-L733 HydrophobicContact CG-CD2 4.33Å; V693-L733 HydrophobicContact CG2-CD1 4.45Å; V693-L733 HydrophobicContact CG2-CD2 3.92Å; L733-A741 HydrophobicContact CD1-CB 3.96Å; L733-V742 WeakPolarHBondContact CA-O 3.47Å; L733-Y743 HydrophobicContact CB-CD2 4.03Å; L733-Y743 HydrophobicContact CD1-CD2 4.16Å; L733-I757 HydrophobicContact CD1-CD1 4.16Å |
| 734 | I | 86.4 | Confident | 84.4 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 12% | 0.123 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.4 | -172.3 | -63.2 | 152.5 | 0 | 0 | 0 | 108.9 | K732 A741 V742 P785 L797 F799 | K732-I734 HydrophobicContact CB-CD1 4.46Å; I734-A741 CarbonylContact O-C 3.58Å; I734-A741 WeakPolarHBondContact O-CA 3.01Å; I734-A741 WeakPolarHBondContact O-CB 3.37Å; I734-V742 PolarHBondContact N-O 3.15Å; I734-V742 PolarHBondContact O-N 2.91Å; I734-P785 HydrophobicContact CD1-CB 3.67Å; I734-P785 HydrophobicContact CD1-CG 4.01Å; I734-P785 HydrophobicContact CG1-CB 4.16Å; I734-P785 HydrophobicContact CG1-CG 4.1Å; I734-L797 HydrophobicContact CD1-CD1 4.25Å; I734-L797 HydrophobicContact CD1-CD2 3.94Å; I734-L797 HydrophobicContact CG2-CD1 4.01Å; I734-L797 HydrophobicContact CG2-CD2 4.32Å; I734-F799 HydrophobicContact CD1-CD1 4.45Å; I734-F799 HydrophobicContact CD1-CE1 3.3Å; I734-F799 HydrophobicContact CD1-CZ 3.37Å |
| 735 | R | 81.5 | Confident | 85 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.3 | 177.6 | -172.1 | 173 | -179 | 166.9 | 10.5 | 111.3 | Q681 S682 G737 | Q681-R735 HydrophobicContact CG-CB 3.86Å; S682-R735 PolarHBondContact O-NH1 3.37Å; R735-G737 VanDerWaalsContact CG-O 3.25Å; R735-G737 WeakPolarHBondContact CG-O 3.34Å; R735-G737 PolarHBondContact NE-O 3.14Å |
| 736 | L | 77.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 94 | 170.1 | -65.1 | -174 | 0 | 0 | 0 | 109.5 | A740 V742 L794 | L736-A740 CarbonylContact C-O 3.58Å; L736-A740 WeakPolarHBondContact CA-O 3.44Å; L736-A740 HydrophobicContact CB-CB 4Å; L736-A740 PolarHBondContact N-O 2.8Å; L736-A740 PolarHBondContact O-N 3.24Å; L736-A740 VanDerWaalsContact O-O 3.05Å; L736-V742 HydrophobicContact CD1-CG2 3.4Å; L736-V742 HydrophobicContact CD2-CG2 4.5Å; L736-V742 HydrophobicContact CG-CG2 3.89Å; L736-L794 HydrophobicContact CD1-CB 4.47Å; L736-L794 HydrophobicContact CD1-CD1 3.84Å |
| 737 | G | 71.5 | Confident | 85.9 | Confident | 38 Ų | 38 | 30.1 Ų | 30.1 | 39% | 0.392 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | -141.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R735 | R735-G737 VanDerWaalsContact CG-O 3.25Å; R735-G737 WeakPolarHBondContact CG-O 3.34Å; R735-G737 PolarHBondContact NE-O 3.14Å |
| 738 | K | 67.8 | Low | 86 | Confident | 166 Ų | 166 | 28.7 Ų | 28.7 | 72% | 0.722 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -31.7 | -172.8 | -72 | -175.1 | 179.7 | 179.5 | 0 | 114.4 | ||
| 739 | V | 68.1 | Low | 86 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 39% | 0.394 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | -1.2 | -160.7 | -152.3 | 0 | 0 | 0 | 0 | 113.6 | V759 E760 | V739-V759 VanDerWaalsContact O-CB 3.31Å; V739-V759 WeakPolarHBondContact O-CB 3.34Å; V739-V759 WeakPolarHBondContact O-CG2 3.31Å; V739-V759 PolarHBondContact O-N 3.09Å; V739-E760 HydrophobicContact CG1-CB 4.29Å; V739-E760 HydrophobicContact CG1-CG 3.57Å; V739-E760 WeakPolarHBondContact CG1-OE1 3.49Å |
| 740 | A | 73.5 | Confident | 86 | Confident | 37 Ų | 37 | 27.4 Ų | 27.4 | 31% | 0.306 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L736 I757 | L736-A740 CarbonylContact C-O 3.58Å; L736-A740 WeakPolarHBondContact CA-O 3.44Å; L736-A740 HydrophobicContact CB-CB 4Å; L736-A740 PolarHBondContact N-O 2.8Å; L736-A740 PolarHBondContact O-N 3.24Å; L736-A740 VanDerWaalsContact O-O 3.05Å; A740-I757 WeakPolarHBondContact CA-O 3.44Å |
| 741 | A | 80.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | L733 I734 I757 | L733-A741 HydrophobicContact CD1-CB 3.96Å; I734-A741 CarbonylContact O-C 3.58Å; I734-A741 WeakPolarHBondContact O-CA 3.01Å; I734-A741 WeakPolarHBondContact O-CB 3.37Å; A741-I757 PolarHBondContact N-O 3.22Å; A741-I757 PolarHBondContact O-N 2.96Å |
| 742 | V | 85 | Confident | 85.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.1 | 170.5 | 175 | 0 | 0 | 0 | 0 | 108 | L733 I734 L736 A754 K755 N756 L794 L797 | L733-V742 WeakPolarHBondContact CA-O 3.47Å; I734-V742 PolarHBondContact N-O 3.15Å; I734-V742 PolarHBondContact O-N 2.91Å; L736-V742 HydrophobicContact CD1-CG2 3.4Å; L736-V742 HydrophobicContact CD2-CG2 4.5Å; L736-V742 HydrophobicContact CG-CG2 3.89Å; V742-A754 HydrophobicContact CG1-CB 4.19Å; V742-K755 CarbonylContact C-O 3.59Å; V742-K755 VanDerWaalsContact CA-O 3.29Å; V742-K755 WeakPolarHBondContact CA-O 3.23Å; V742-N756 WeakPolarHBondContact CG2-OD1 3.31Å; V742-L794 HydrophobicContact CG2-CD1 3.42Å; V742-L794 VanDerWaalsContact CG2-CD1 3.42Å; V742-L797 HydrophobicContact CB-CD2 4.33Å; V742-L797 HydrophobicContact CG1-CD2 4.33Å; V742-L797 HydrophobicContact CG2-CD2 4.43Å |
| 743 | Y | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.6 | 167.8 | -172 | -116 | 0 | 0 | 0 | 109.4 | V693 I701 W722 A731 K732 L733 V745 A754 K755 W769 | V693-Y743 HydrophobicContact CB-CD2 4.27Å; V693-Y743 HydrophobicContact CB-CE2 3.81Å; V693-Y743 HydrophobicContact CG1-CD1 4.29Å; V693-Y743 HydrophobicContact CG1-CD2 4.02Å; V693-Y743 HydrophobicContact CG1-CE1 3.79Å; V693-Y743 HydrophobicContact CG1-CE2 3.49Å; V693-Y743 VanDerWaalsContact CG1-CE2 3.49Å; V693-Y743 HydrophobicContact CG1-CG 4.37Å; I701-Y743 HydrophobicContact CB-CE1 4.5Å; I701-Y743 HydrophobicContact CD1-CD1 4.5Å; I701-Y743 HydrophobicContact CD1-CE1 3.86Å; I701-Y743 HydrophobicContact CG1-CE1 4.07Å; I701-Y743 HydrophobicContact CG2-CD1 4.31Å; I701-Y743 HydrophobicContact CG2-CE1 3.61Å; W722-Y743 HydrophobicContact CZ2-CD1 4.43Å; A731-Y743 HydrophobicContact CB-CE1 4.36Å; A731-Y743 HydrophobicContact CB-CE2 3.7Å; A731-Y743 VanDerWaalsContact CB-CZ 3.46Å; A731-Y743 WeakPolarHBondContact CB-OH 3.22Å; K732-Y743 WeakPolarHBondContact O-CA 3.41Å; L733-Y743 HydrophobicContact CB-CD2 4.03Å; L733-Y743 HydrophobicContact CD1-CD2 4.16Å; Y743-V745 HydrophobicContact CD1-CG1 3.91Å; Y743-V745 HydrophobicContact CE1-CG1 3.34Å; Y743-A754 CarbonylContact O-C 3.47Å; Y743-A754 WeakPolarHBondContact O-CA 3.32Å; Y743-K755 PolarHBondContact N-O 3.39Å; Y743-K755 PolarHBondContact O-N 2.87Å; Y743-W769 HydrophobicContact CD1-CH2 4.24Å; Y743-W769 HydrophobicContact CD1-CZ3 4.43Å |
| 744 | A | 91.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A731 K732 L752 Y753 A754 L783 F799 | A731-A744 CarbonylContact C-O 3.52Å; A731-A744 VanDerWaalsContact CA-O 3.24Å; A731-A744 WeakPolarHBondContact CA-O 3.26Å; K732-A744 PolarHBondContact N-O 2.78Å; K732-A744 PolarHBondContact O-N 3.37Å; A744-L752 HydrophobicContact CB-CD1 4.35Å; A744-Y753 CarbonylContact C-O 3.58Å; A744-Y753 VanDerWaalsContact CA-O 3.26Å; A744-Y753 WeakPolarHBondContact CA-O 3.42Å; A744-A754 HydrophobicContact CB-CB 4.3Å; A744-L783 HydrophobicContact CB-CD2 3.92Å; A744-L783 WeakPolarHBondContact O-CD2 3.08Å; A744-F799 HydrophobicContact CB-CD1 4.44Å; A744-F799 HydrophobicContact CB-CE1 3.57Å; A744-F799 HydrophobicContact CB-CE2 4.39Å; A744-F799 HydrophobicContact CB-CZ 3.54Å |
| 745 | V | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.7 | -179.2 | -58.8 | 0 | 0 | 0 | 0 | 111 | I701 V728 D730 A731 Y743 Y753 W769 | I701-V745 HydrophobicContact CD1-CG1 4.18Å; V728-V745 HydrophobicContact CG1-CB 3.94Å; V728-V745 HydrophobicContact CG1-CG1 4.12Å; V728-V745 HydrophobicContact CG2-CB 4.3Å; V728-V745 HydrophobicContact CG2-CG2 4.49Å; D730-V745 WeakPolarHBondContact O-CA 3.28Å; A731-V745 HydrophobicContact CB-CG1 3.73Å; Y743-V745 HydrophobicContact CD1-CG1 3.91Å; Y743-V745 HydrophobicContact CE1-CG1 3.34Å; V745-Y753 HydrophobicContact CG2-CD2 4.34Å; V745-Y753 PolarHBondContact N-O 2.76Å; V745-Y753 PolarHBondContact O-N 3.46Å; V745-W769 HydrophobicContact CB-CH2 4.23Å; V745-W769 HydrophobicContact CG1-CH2 3.8Å; V745-W769 HydrophobicContact CG2-CH2 3.31Å; V745-W769 HydrophobicContact CG2-CZ2 3.55Å; V745-W769 HydrophobicContact CG2-CZ3 4.02Å |
| 746 | V | 94.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.9 | 172 | -74.2 | 0 | 0 | 0 | 0 | 110 | F729 D730 L752 L780 L783 I801 | F729-V746 PolarHBondContact N-O 3.03Å; D730-V746 HydrophobicContact CB-CG2 3.68Å; D730-V746 VanDerWaalsContact O-CG2 3.32Å; D730-V746 WeakPolarHBondContact O-CG2 3.34Å; D730-V746 PolarHBondContact O-N 3.12Å; V746-L752 HydrophobicContact CG1-CD1 3.98Å; V746-L780 HydrophobicContact CB-CB 3.57Å; V746-L780 HydrophobicContact CB-CD1 4.33Å; V746-L780 HydrophobicContact CG1-CB 3.94Å; V746-L780 HydrophobicContact CG1-CD1 4.02Å; V746-L783 HydrophobicContact CB-CB 4.42Å; V746-L783 HydrophobicContact CG1-CB 3.83Å; V746-L783 HydrophobicContact CG1-CD1 3.79Å; V746-L783 HydrophobicContact CG1-CD2 4.17Å; V746-L783 HydrophobicContact CG1-CG 4.13Å; V746-L783 HydrophobicContact CG2-CB 3.76Å; V746-I801 HydrophobicContact CG1-CG2 4.12Å |
| 747 | C | 94.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 161.5 | -163.1 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | S726 Y727 D749 G750 N751 Y753 L780 | S726-C747 WeakPolarHBondContact OG-CB 3.45Å; Y727-C747 CarbonylContact O-C 3.6Å; Y727-C747 VanDerWaalsContact O-CA 3.26Å; Y727-C747 WeakPolarHBondContact O-CA 3.09Å; C747-D749 WeakPolarHBondContact CB-OD1 3.49Å; C747-D749 PolarHBondContact O-N 2.84Å; C747-G750 PolarHBondContact O-N 3.18Å; C747-N751 PolarHBondContact N-O 2.88Å; C747-Y753 HydrophobicContact CB-CD2 4.29Å; C747-Y753 HydrophobicContact CB-CE2 4.11Å; C747-L780 PolarHBondContact O-N 2.85Å |
| 748 | S | 94.5 | Very high | 86 | Confident | 51 Ų | 51 | 24.6 Ų | 24.6 | 36% | 0.357 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.3 | 178.6 | 54.9 | 0 | 0 | 0 | 0 | 115 | S726 Y727 G750 | S726-S748 VanDerWaalsContact CB-OG 3.31Å; S726-S748 WeakPolarHBondContact CB-OG 3.4Å; S726-S748 PolarHBondContact OG-OG 2.87Å; S726-S748 VanDerWaalsContact OG-OG 3.07Å; Y727-S748 PolarHBondContact N-OG 2.72Å; Y727-S748 PolarHBondContact O-N 3.13Å; S748-G750 VanDerWaalsContact C-N 3.29Å |
| 749 | D | 93.4 | Very high | 85.8 | Confident | 52 Ų | 52 | 18 Ų | 18 | 28% | 0.278 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 8.6 | 179.1 | 65.3 | -16.7 | 0 | 0 | 0 | 113.5 | S726 C747 N751 Y753 | S726-D749 VanDerWaalsContact OG-CG 3.29Å; S726-D749 PolarHBondContact OG-N 3.41Å; S726-D749 PolarHBondContact OG-OD1 2.93Å; C747-D749 WeakPolarHBondContact CB-OD1 3.49Å; C747-D749 PolarHBondContact O-N 2.84Å; D749-N751 VanDerWaalsContact C-N 3.28Å; D749-N751 PolarHBondContact O-N 3.38Å; D749-N751 PolarHBondContact O-ND2 2.8Å; D749-N751 WeakPolarHBondContact OD1-CB 3.43Å; D749-N751 PolarHBondContact OD1-N 3.17Å; D749-N751 PolarHBondContact OD2-ND2 3.29Å; D749-Y753 WeakPolarHBondContact OD2-CE2 3.26Å; D749-Y753 PolarHBondContact OD2-OH 2.76Å |
| 750 | G | 92.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 80.1 | 8.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C747 S748 I775 H776 H778 L780 | C747-G750 PolarHBondContact O-N 3.18Å; S748-G750 VanDerWaalsContact C-N 3.29Å; G750-I775 PolarHBondContact O-N 2.64Å; G750-H776 VanDerWaalsContact CA-O 3.31Å; G750-H776 WeakPolarHBondContact CA-O 3.46Å; G750-H776 PolarHBondContact O-N 3.15Å; G750-H778 WeakPolarHBondContact CA-O 3.36Å; G750-L780 WeakPolarHBondContact O-CD1 3.11Å |
| 751 | N | 93.3 | Very high | 84.7 | Confident | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.7 | -173.5 | -60.7 | -45.5 | 0 | 0 | 0 | 112.8 | C747 D749 Y753 K772 Y773 E774 L780 | C747-N751 PolarHBondContact N-O 2.88Å; D749-N751 VanDerWaalsContact C-N 3.28Å; D749-N751 PolarHBondContact O-N 3.38Å; D749-N751 PolarHBondContact O-ND2 2.8Å; D749-N751 WeakPolarHBondContact OD1-CB 3.43Å; D749-N751 PolarHBondContact OD1-N 3.17Å; D749-N751 PolarHBondContact OD2-ND2 3.29Å; N751-Y753 HydrophobicContact CB-CD2 4.21Å; N751-Y753 HydrophobicContact CB-CE2 3.53Å; N751-Y753 PolarHBondContact ND2-OH 2.81Å; N751-K772 WeakPolarHBondContact ND2-CE 3.44Å; N751-Y773 WeakPolarHBondContact CA-O 3.49Å; N751-E774 VanDerWaalsContact OD1-CA 3.23Å; N751-E774 WeakPolarHBondContact OD1-CA 3.38Å; N751-E774 WeakPolarHBondContact OD1-CB 3.28Å; N751-E774 WeakPolarHBondContact OD1-CG 3.45Å; N751-L780 WeakPolarHBondContact O-CD1 3.33Å |
| 752 | L | 92.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.9 | 164.9 | 174.2 | 72.6 | 0 | 0 | 0 | 108.1 | A744 V746 Y773 I775 L780 L783 F799 I801 | A744-L752 HydrophobicContact CB-CD1 4.35Å; V746-L752 HydrophobicContact CG1-CD1 3.98Å; L752-Y773 HydrophobicContact CD2-CD2 4.17Å; L752-Y773 PolarHBondContact N-O 2.73Å; L752-Y773 PolarHBondContact O-N 3.25Å; L752-I775 HydrophobicContact CB-CG1 4.08Å; L752-L780 HydrophobicContact CB-CD1 4.37Å; L752-L783 HydrophobicContact CD1-CD1 3.93Å; L752-L783 HydrophobicContact CD1-CD2 4.32Å; L752-F799 HydrophobicContact CD2-CD2 4.49Å; L752-I801 HydrophobicContact CD2-CD1 4.06Å |
| 753 | Y | 90.9 | Very high | 82.1 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 141.8 | 170.7 | -60.1 | -89.7 | 0 | 0 | 0 | 110.1 | V725 A744 V745 C747 D749 N751 W769 F771 K772 | V725-Y753 HydrophobicContact CB-CE1 4.44Å; V725-Y753 HydrophobicContact CB-CE2 4.27Å; V725-Y753 HydrophobicContact CG2-CE1 3.86Å; V725-Y753 HydrophobicContact CG2-CE2 4.48Å; A744-Y753 CarbonylContact C-O 3.58Å; A744-Y753 VanDerWaalsContact CA-O 3.26Å; A744-Y753 WeakPolarHBondContact CA-O 3.42Å; V745-Y753 HydrophobicContact CG2-CD2 4.34Å; V745-Y753 PolarHBondContact N-O 2.76Å; V745-Y753 PolarHBondContact O-N 3.46Å; C747-Y753 HydrophobicContact CB-CD2 4.29Å; C747-Y753 HydrophobicContact CB-CE2 4.11Å; D749-Y753 WeakPolarHBondContact OD2-CE2 3.26Å; D749-Y753 PolarHBondContact OD2-OH 2.76Å; N751-Y753 HydrophobicContact CB-CD2 4.21Å; N751-Y753 HydrophobicContact CB-CE2 3.53Å; N751-Y753 PolarHBondContact ND2-OH 2.81Å; Y753-W769 VanDerWaalsContact CB-CD2 3.47Å; Y753-W769 HydrophobicContact CD1-CB 4Å; Y753-W769 AromaticContact CD1-CD1 3.61Å; Y753-W769 HydrophobicContact CD1-CD2 4.22Å; Y753-W769 AromaticContact CD1-CG 3.68Å; Y753-W769 HydrophobicContact CD1-CG 3.68Å; Y753-W769 HydrophobicContact CG-CD2 4.11Å; Y753-W769 HydrophobicContact CG-CG 4.06Å; Y753-F771 WeakPolarHBondContact CA-O 3.45Å; Y753-K772 HydrophobicContact CD1-CB 3.93Å; Y753-K772 HydrophobicContact CD1-CG 3.98Å; Y753-K772 HydrophobicContact CE1-CB 3.85Å; Y753-K772 HydrophobicContact CE1-CD 3.83Å; Y753-K772 HydrophobicContact CE1-CG 3.48Å; Y753-K772 VanDerWaalsContact CE1-CG 3.48Å |
| 754 | A | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 148.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V742 Y743 A744 D770 F771 L813 | V742-A754 HydrophobicContact CG1-CB 4.19Å; Y743-A754 CarbonylContact O-C 3.47Å; Y743-A754 WeakPolarHBondContact O-CA 3.32Å; A744-A754 HydrophobicContact CB-CB 4.3Å; A754-D770 PolarHBondContact O-N 2.81Å; A754-F771 HydrophobicContact CB-CB 4.22Å; A754-F771 HydrophobicContact CB-CD2 4.18Å; A754-F771 PolarHBondContact N-O 2.72Å; A754-F771 PolarHBondContact O-N 2.86Å; A754-L813 HydrophobicContact CB-CD1 3.94Å; A754-L813 HydrophobicContact CB-CD2 4.41Å |
| 755 | K | 85.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.2 | -178.5 | -165.6 | 174.6 | -170 | 171.3 | 0 | 111.6 | W722 V742 Y743 V765 S766 C768 W769 D770 | W722-K755 HydrophobicContact CH2-CD 3.43Å; W722-K755 VanDerWaalsContact CH2-CD 3.43Å; W722-K755 HydrophobicContact CZ2-CD 3.45Å; W722-K755 VanDerWaalsContact CZ2-CD 3.45Å; W722-K755 HydrophobicContact CZ3-CD 4.06Å; V742-K755 CarbonylContact C-O 3.59Å; V742-K755 VanDerWaalsContact CA-O 3.29Å; V742-K755 WeakPolarHBondContact CA-O 3.23Å; Y743-K755 PolarHBondContact N-O 3.39Å; Y743-K755 PolarHBondContact O-N 2.87Å; K755-V765 HydrophobicContact CD-CG1 4.36Å; K755-S766 WeakPolarHBondContact CE-O 3.14Å; K755-S766 PolarHBondContact NZ-O 2.79Å; K755-C768 WeakPolarHBondContact CE-O 3.26Å; K755-W769 HydrophobicContact CB-CE3 3.77Å; K755-W769 HydrophobicContact CB-CZ3 3.86Å; K755-D770 WeakPolarHBondContact CG-OD2 3.21Å |
| 756 | N | 83.3 | Confident | 77.3 | Confident | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 127.6 | 170 | -71.9 | -32.6 | 0 | 0 | 0 | 109.6 | V742 D770 L794 | V742-N756 WeakPolarHBondContact CG2-OD1 3.31Å; N756-D770 WeakPolarHBondContact CB-OD2 3.37Å; N756-D770 PolarHBondContact N-OD2 3.35Å; N756-L794 VanDerWaalsContact OD1-CD1 3.27Å; N756-L794 WeakPolarHBondContact OD1-CD1 3.34Å |
| 757 | I | 78.9 | Confident | 75.8 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 109 | 178.4 | -56 | 177.3 | 0 | 0 | 0 | 106.8 | L691 F720 L733 A740 A741 V759 | L691-I757 HydrophobicContact CD2-CG2 4.4Å; F720-I757 HydrophobicContact CE1-CG2 4.31Å; F720-I757 HydrophobicContact CZ-CD1 3.94Å; L733-I757 HydrophobicContact CD1-CD1 4.16Å; A740-I757 WeakPolarHBondContact CA-O 3.44Å; A741-I757 PolarHBondContact N-O 3.22Å; A741-I757 PolarHBondContact O-N 2.96Å; I757-V759 PolarHBondContact O-N 3.48Å |
| 758 | A | 73.6 | Confident | 74.7 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 116.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | E760 A761 | A758-E760 VanDerWaalsContact C-N 3.28Å; A758-E760 PolarHBondContact O-N 2.84Å; A758-A761 HydrophobicContact CB-CB 4.45Å; A758-A761 PolarHBondContact O-N 2.79Å |
| 759 | V | 63.7 | Low | 74.1 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -33.1 | -172.9 | 173.5 | 0 | 0 | 0 | 0 | 112 | L683 V739 I757 M762 | L683-V759 HydrophobicContact CB-CG1 3.69Å; L683-V759 HydrophobicContact CD1-CG1 4.22Å; L683-V759 HydrophobicContact CD2-CB 4.29Å; L683-V759 HydrophobicContact CD2-CG1 3.62Å; L683-V759 HydrophobicContact CD2-CG2 3.78Å; L683-V759 HydrophobicContact CG-CG1 4.03Å; V739-V759 VanDerWaalsContact O-CB 3.31Å; V739-V759 WeakPolarHBondContact O-CB 3.34Å; V739-V759 WeakPolarHBondContact O-CG2 3.31Å; V739-V759 PolarHBondContact O-N 3.09Å; I757-V759 PolarHBondContact O-N 3.48Å; V759-M762 HydrophobicContact CG1-CE 4.45Å |
| 760 | E | 61.2 | Low | 73.6 | Confident | 169 Ų | 169 | 55.9 Ų | 55.9 | 79% | 0.79 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.3 | -178.7 | -73.2 | 176 | 179.7 | 0 | 0 | 113.9 | V739 A758 | V739-E760 HydrophobicContact CG1-CB 4.29Å; V739-E760 HydrophobicContact CG1-CG 3.57Å; V739-E760 WeakPolarHBondContact CG1-OE1 3.49Å; A758-E760 VanDerWaalsContact C-N 3.28Å; A758-E760 PolarHBondContact O-N 2.84Å |
| 761 | A | 57 | Low | 73.2 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | trans | -128.3 | 57.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A758 E763 T764 | A758-A761 HydrophobicContact CB-CB 4.45Å; A758-A761 PolarHBondContact O-N 2.79Å; A761-E763 VanDerWaalsContact C-N 3.35Å; A761-E763 PolarHBondContact O-N 3.11Å; A761-T764 PolarHBondContact O-OG1 2.8Å | ||
| 762 | M | 57.6 | Low | 73 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -72.2 | -24.6 | -177.2 | -65.3 | -155 | -171.3 | 0 | 0 | 114.3 | L683 L691 A719 F720 V759 T764 V765 | L683-M762 HydrophobicContact CD1-CE 3.49Å; L683-M762 VanDerWaalsContact CD1-CE 3.49Å; L683-M762 HydrophobicContact CD2-CE 3.9Å; L683-M762 HydrophobicContact CG-CE 4.32Å; L691-M762 HydrophobicContact CD1-CE 3.9Å; L691-M762 HydrophobicContact CD1-SD 3.87Å; L691-M762 HydrophobicContact CD2-CE 3.94Å; L691-M762 HydrophobicContact CG-CE 4.38Å; A719-M762 HydrophobicContact CB-SD 3.79Å; F720-M762 HydrophobicContact CD1-SD 4.38Å; F720-M762 HydrophobicContact CE1-SD 4.12Å; V759-M762 HydrophobicContact CG1-CE 4.45Å; M762-T764 PolarHBondContact O-N 2.9Å; M762-V765 VanDerWaalsContact O-CG2 3.27Å; M762-V765 WeakPolarHBondContact O-CG2 3.46Å |
| 763 | E | 52.7 | Low | 72.8 | Confident | 200 Ų | 200 | 63.2 Ų | 63.2 | 94% | 0.935 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -69.5 | -21 | -177.1 | -66 | -175.5 | 169 | 0 | 0 | 113.3 | A761 | A761-E763 VanDerWaalsContact C-N 3.35Å; A761-E763 PolarHBondContact O-N 3.11Å |
| 764 | T | 53.1 | Low | 72.8 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 70% | 0.699 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -103.5 | 12.2 | -175.5 | 49.4 | 0 | 0 | 0 | 0 | 113.9 | A761 M762 S766 | A761-T764 PolarHBondContact O-OG1 2.8Å; M762-T764 PolarHBondContact O-N 2.9Å; T764-S766 PolarHBondContact O-N 3.48Å |
| 765 | V | 57.1 | Low | 72.7 | Confident | 34 Ų | 34 | 70.5 Ų | 70.5 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | trans | -64.1 | 112.7 | -177 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | F720 W722 K755 M762 | F720-V765 HydrophobicContact CD1-CG2 4.45Å; W722-V765 HydrophobicContact CE3-CG1 4.08Å; W722-V765 HydrophobicContact CH2-CG1 4.29Å; W722-V765 HydrophobicContact CZ3-CG1 3.5Å; W722-V765 VanDerWaalsContact CZ3-CG1 3.5Å; K755-V765 HydrophobicContact CD-CG1 4.36Å; M762-V765 VanDerWaalsContact O-CG2 3.27Å; M762-V765 WeakPolarHBondContact O-CG2 3.46Å | ||
| 766 | S | 62.8 | Low | 72.9 | Confident | 62 Ų | 62 | 72.3 Ų | 72.3 | 43% | 0.434 | 38% | 0.38 | S | S | . | . | trans | -56.8 | 152.9 | 179.7 | 77.6 | 0 | 0 | 0 | 0 | 111.2 | K755 T764 C768 | K755-S766 WeakPolarHBondContact CE-O 3.14Å; K755-S766 PolarHBondContact NZ-O 2.79Å; T764-S766 PolarHBondContact O-N 3.48Å; S766-C768 PolarHBondContact O-N 3.17Å | ||
| 767 | K | 64.8 | Low | 73.2 | Confident | 160 Ų | 160 | 73.9 Ų | 73.9 | 70% | 0.696 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -83.4 | 11.3 | 177.9 | -71 | -175.9 | 178.9 | 177.6 | 0 | 113.9 | W722 | W722-K767 HydrophobicContact CB-CG 4.46Š|
| 768 | C | 70.7 | Confident | 73.7 | Confident | 88 Ų | 88 | 78.3 Ų | 78.3 | 60% | 0.595 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -107.3 | 155.2 | 178.8 | -63 | 0 | 0 | 0 | 0 | 110.9 | K755 S766 | K755-C768 WeakPolarHBondContact CE-O 3.26Å; S766-C768 PolarHBondContact O-N 3.17Å |
| 769 | W | 81.5 | Confident | 74.7 | Confident | 40 Ų | 40 | 76 Ų | 76 | 15% | 0.152 | 40% | 0.398 | C | S | . | . | trans | -78.5 | 138.7 | 168.5 | -67.7 | 104.7 | 0 | 0 | 0 | 109.6 | I701 W722 Y743 V745 Y753 K755 | I701-W769 HydrophobicContact CD1-CH2 3.36Å; I701-W769 HydrophobicContact CD1-CZ2 3.33Å; W722-W769 AromaticContact NE1-CZ2 3.84Å; Y743-W769 HydrophobicContact CD1-CH2 4.24Å; Y743-W769 HydrophobicContact CD1-CZ3 4.43Å; V745-W769 HydrophobicContact CB-CH2 4.23Å; V745-W769 HydrophobicContact CG1-CH2 3.8Å; V745-W769 HydrophobicContact CG2-CH2 3.31Å; V745-W769 HydrophobicContact CG2-CZ2 3.55Å; V745-W769 HydrophobicContact CG2-CZ3 4.02Å; Y753-W769 VanDerWaalsContact CB-CD2 3.47Å; Y753-W769 HydrophobicContact CD1-CB 4Å; Y753-W769 AromaticContact CD1-CD1 3.61Å; Y753-W769 HydrophobicContact CD1-CD2 4.22Å; Y753-W769 AromaticContact CD1-CG 3.68Å; Y753-W769 HydrophobicContact CD1-CG 3.68Å; Y753-W769 HydrophobicContact CG-CD2 4.11Å; Y753-W769 HydrophobicContact CG-CG 4.06Å; K755-W769 HydrophobicContact CB-CE3 3.77Å; K755-W769 HydrophobicContact CB-CZ3 3.86Å | ||
| 770 | D | 82.5 | Confident | 76.3 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -76.6 | -31.2 | 177.1 | -59.6 | -41.1 | 0 | 0 | 0 | 111.1 | A754 K755 N756 | A754-D770 PolarHBondContact O-N 2.81Å; K755-D770 WeakPolarHBondContact CG-OD2 3.21Å; N756-D770 WeakPolarHBondContact CB-OD2 3.37Å; N756-D770 PolarHBondContact N-OD2 3.35Å |
| 771 | F | 85.6 | Confident | 78 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.1 | 179.7 | -51.3 | -82.2 | 0 | 0 | 0 | 111.6 | Y753 A754 Y773 L794 L813 | Y753-F771 WeakPolarHBondContact CA-O 3.45Å; A754-F771 HydrophobicContact CB-CB 4.22Å; A754-F771 HydrophobicContact CB-CD2 4.18Å; A754-F771 PolarHBondContact N-O 2.72Å; A754-F771 PolarHBondContact O-N 2.86Å; F771-Y773 HydrophobicContact CB-CD2 4.41Å; F771-Y773 HydrophobicContact CB-CE2 3.68Å; F771-Y773 HydrophobicContact CG-CE2 4.37Å; F771-L794 HydrophobicContact CE1-CD2 4.34Å; F771-L794 HydrophobicContact CE2-CD2 3.81Å; F771-L794 HydrophobicContact CZ-CD2 3.47Å; F771-L794 VanDerWaalsContact CZ-CD2 3.47Å; F771-L813 HydrophobicContact CD2-CD2 4.13Å; F771-L813 HydrophobicContact CE2-CD2 4.2Å |
| 772 | K | 88.4 | Confident | 79.9 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 45% | 0.452 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.4 | 169.1 | 177.2 | -169.4 | -177.5 | -150.1 | 0 | 108.4 | N751 Y753 E774 | N751-K772 WeakPolarHBondContact ND2-CE 3.44Å; Y753-K772 HydrophobicContact CD1-CB 3.93Å; Y753-K772 HydrophobicContact CD1-CG 3.98Å; Y753-K772 HydrophobicContact CE1-CB 3.85Å; Y753-K772 HydrophobicContact CE1-CD 3.83Å; Y753-K772 HydrophobicContact CE1-CG 3.48Å; Y753-K772 VanDerWaalsContact CE1-CG 3.48Å; K772-E774 IonicContact NZ-OE1 3.76Å; K772-E774 PolarHBondContact NZ-OE1 3.36Å |
| 773 | Y | 88.9 | Confident | 81.8 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 9% | 0.09 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.4 | 174.1 | -58.4 | -74.3 | 0 | 0 | 0 | 110.3 | N751 L752 F771 I775 L813 N814 | N751-Y773 WeakPolarHBondContact CA-O 3.49Å; L752-Y773 HydrophobicContact CD2-CD2 4.17Å; L752-Y773 PolarHBondContact N-O 2.73Å; L752-Y773 PolarHBondContact O-N 3.25Å; F771-Y773 HydrophobicContact CB-CD2 4.41Å; F771-Y773 HydrophobicContact CB-CE2 3.68Å; F771-Y773 HydrophobicContact CG-CE2 4.37Å; Y773-I775 PolarHBondContact O-N 3.23Å; Y773-L813 HydrophobicContact CE2-CD1 3.89Å; Y773-L813 HydrophobicContact CE2-CG 4.19Å; Y773-N814 PolarHBondContact OH-N 2.92Å |
| 774 | E | 89.2 | Confident | 83.7 | Confident | 142 Ų | 142 | 55.4 Ų | 55.4 | 66% | 0.664 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 110.6 | 174.1 | -46.3 | -165.7 | 158.5 | 0 | 0 | 108.4 | N751 K772 | N751-E774 VanDerWaalsContact OD1-CA 3.23Å; N751-E774 WeakPolarHBondContact OD1-CA 3.38Å; N751-E774 WeakPolarHBondContact OD1-CB 3.28Å; N751-E774 WeakPolarHBondContact OD1-CG 3.45Å; K772-E774 IonicContact NZ-OE1 3.76Å; K772-E774 PolarHBondContact NZ-OE1 3.36Å |
| 775 | I | 89 | Confident | 85.5 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 9% | 0.092 | 27% | 0.271 | C | S | . | . | trans | -101.8 | -46.3 | -171.7 | -58.3 | -61.2 | 0 | 0 | 0 | 110.4 | G750 L752 Y773 L780 I801 Y809 K811 V820 | G750-I775 PolarHBondContact O-N 2.64Å; L752-I775 HydrophobicContact CB-CG1 4.08Å; Y773-I775 PolarHBondContact O-N 3.23Å; I775-L780 HydrophobicContact CB-CD1 4.11Å; I775-L780 HydrophobicContact CB-CD2 4.15Å; I775-L780 HydrophobicContact CG1-CD1 4.14Å; I775-L780 HydrophobicContact CG2-CD2 4.22Å; I775-I801 HydrophobicContact CD1-CD1 4.34Å; I775-I801 HydrophobicContact CG1-CD1 4.28Å; I775-I801 HydrophobicContact CG2-CG2 4.48Å; I775-Y809 HydrophobicContact CG2-CD2 3.79Å; I775-Y809 HydrophobicContact CG2-CE2 4.34Å; I775-Y809 HydrophobicContact CG2-CG 4Å; I775-K811 HydrophobicContact CD1-CB 4.28Å; I775-K811 HydrophobicContact CD1-CD 4.42Å; I775-K811 HydrophobicContact CD1-CG 4.16Å; I775-V820 HydrophobicContact CD1-CG2 4.13Å; I775-V820 HydrophobicContact CG2-CG1 4.28Å | ||
| 776 | H | 89.7 | Confident | 86.8 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | trans | -149.2 | 162.7 | -175.4 | -164.3 | -111.7 | 0 | 0 | 0 | 111.2 | G750 H778 L780 T803 S805 E807 Y809 | G750-H776 VanDerWaalsContact CA-O 3.31Å; G750-H776 WeakPolarHBondContact CA-O 3.46Å; G750-H776 PolarHBondContact O-N 3.15Å; H776-H778 AromaticContact CE1-CG 3.81Å; H776-H778 AromaticContact CE1-ND1 3.25Å; H776-H778 PolarHBondContact CE1-ND1 3.05Å; H776-H778 AromaticContact ND1-CG 3.95Å; H776-H778 PolarHBondContact ND1-N 3.04Å; H776-H778 VanDerWaalsContact ND1-N 3.16Å; H776-H778 AromaticContact ND1-ND1 3.71Å; H776-L780 HydrophobicContact CB-CD2 4.07Å; H776-T803 HydrophobicContact CB-CG2 4.11Å; H776-S805 PolarHBondContact CE1-OG 3.04Å; H776-E807 IonicContact CD2-OE2 2.64Å; H776-E807 IonicContact CE1-OE2 3.57Å; H776-E807 PolarHBondContact CE1-OE2 2.77Å; H776-E807 IonicContact NE2-OE2 3.6Å; H776-E807 PolarHBondContact NE2-OE2 3.43Å; H776-E807 VanDerWaalsContact NE2-OE2 3.1Å; H776-Y809 HydrophobicContact CB-CE2 4.28Å; H776-Y809 PolarHBondContact CD2-OH 2.56Å; H776-Y809 VanDerWaalsContact CD2-OH 3.31Å | ||
| 777 | S | 88.7 | Confident | 87 | Confident | 99 Ų | 99 | 49.7 Ų | 49.7 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -79.1 | -20.1 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 778 | H | 90 | Very high | 86.7 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 43% | 0.431 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -102.8 | 165.6 | 178.2 | -61.8 | 62.5 | 0 | 0 | 0 | 110.7 | G750 H776 E804 | G750-H778 WeakPolarHBondContact CA-O 3.36Å; H776-H778 AromaticContact CE1-CG 3.81Å; H776-H778 AromaticContact CE1-ND1 3.25Å; H776-H778 PolarHBondContact CE1-ND1 3.05Å; H776-H778 AromaticContact ND1-CG 3.95Å; H776-H778 PolarHBondContact ND1-N 3.04Å; H776-H778 VanDerWaalsContact ND1-N 3.16Å; H776-H778 AromaticContact ND1-ND1 3.71Å; H778-E804 HydrophobicContact CB-CB 4.45Å |
| 779 | A | 94.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 140.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F729 T803 E804 | F729-A779 HydrophobicContact CD2-CB 4.49Å; F729-A779 HydrophobicContact CE2-CB 3.8Å; F729-A779 HydrophobicContact CZ-CB 4.33Å; A779-T803 WeakPolarHBondContact O-CA 3.28Å; A779-E804 HydrophobicContact CB-CB 4.25Å; A779-E804 PolarHBondContact O-N 2.72Å |
| 780 | L | 97.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.6 | 171.1 | -54.3 | -174.5 | 0 | 0 | 0 | 108.5 | F729 V746 C747 G750 N751 L752 I775 H776 I801 G802 T803 | F729-L780 WeakPolarHBondContact CB-O 3.02Å; F729-L780 WeakPolarHBondContact CD2-O 3.43Å; V746-L780 HydrophobicContact CB-CB 3.57Å; V746-L780 HydrophobicContact CB-CD1 4.33Å; V746-L780 HydrophobicContact CG1-CB 3.94Å; V746-L780 HydrophobicContact CG1-CD1 4.02Å; C747-L780 PolarHBondContact O-N 2.85Å; G750-L780 WeakPolarHBondContact O-CD1 3.11Å; N751-L780 WeakPolarHBondContact O-CD1 3.33Å; L752-L780 HydrophobicContact CB-CD1 4.37Å; I775-L780 HydrophobicContact CB-CD1 4.11Å; I775-L780 HydrophobicContact CB-CD2 4.15Å; I775-L780 HydrophobicContact CG1-CD1 4.14Å; I775-L780 HydrophobicContact CG2-CD2 4.22Å; H776-L780 HydrophobicContact CB-CD2 4.07Å; L780-I801 HydrophobicContact CB-CG2 4.19Å; L780-I801 HydrophobicContact CD1-CG2 3.86Å; L780-I801 HydrophobicContact CD2-CG2 3.91Å; L780-I801 HydrophobicContact CG-CG2 4.19Å; L780-G802 CarbonylContact C-O 3.58Å; L780-G802 WeakPolarHBondContact CA-O 3.37Å; L780-T803 HydrophobicContact CD2-CG2 3.71Å |
| 781 | T | 96.7 | Very high | 82.5 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -22.8 | -163.1 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | F729 G802 E804 V831 | F729-T781 HydrophobicContact CD1-CG2 4.44Å; T781-G802 PolarHBondContact N-O 3.1Å; T781-G802 PolarHBondContact OG1-O 3.36Å; T781-E804 HydrophobicContact CG2-CB 4Å; T781-V831 VanDerWaalsContact CB-O 3.29Å; T781-V831 WeakPolarHBondContact CB-O 3.2Å; T781-V831 PolarHBondContact OG1-O 2.55Å |
| 782 | A | 97.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 143.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I801 G802 V831 I834 | A782-I801 WeakPolarHBondContact O-CA 3.15Å; A782-G802 PolarHBondContact O-N 2.81Å; A782-V831 HydrophobicContact CB-CG1 4.29Å; A782-I834 HydrophobicContact CB-CB 4.33Å; A782-I834 HydrophobicContact CB-CD1 4.12Å; A782-I834 HydrophobicContact CB-CG1 3.82Å |
| 783 | L | 96.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 131.4 | -177.7 | -177.9 | 63.9 | 0 | 0 | 0 | 111.4 | D730 K732 A744 V746 L752 F799 I801 | D730-L783 HydrophobicContact CB-CB 4.2Å; D730-L783 PolarHBondContact OD2-N 3.03Å; D730-L783 VanDerWaalsContact OD2-N 3.08Å; D730-L783 VanDerWaalsContact OD2-O 3.07Å; K732-L783 HydrophobicContact CB-CD2 4.23Å; K732-L783 VanDerWaalsContact CE-O 3.23Å; K732-L783 WeakPolarHBondContact CE-O 3.17Å; K732-L783 HydrophobicContact CG-CB 4.46Å; K732-L783 HydrophobicContact CG-CD2 4.17Å; K732-L783 HydrophobicContact CG-CG 4.1Å; A744-L783 HydrophobicContact CB-CD2 3.92Å; A744-L783 WeakPolarHBondContact O-CD2 3.08Å; V746-L783 HydrophobicContact CB-CB 4.42Å; V746-L783 HydrophobicContact CG1-CB 3.83Å; V746-L783 HydrophobicContact CG1-CD1 3.79Å; V746-L783 HydrophobicContact CG1-CD2 4.17Å; V746-L783 HydrophobicContact CG1-CG 4.13Å; V746-L783 HydrophobicContact CG2-CB 3.76Å; L752-L783 HydrophobicContact CD1-CD1 3.93Å; L752-L783 HydrophobicContact CD1-CD2 4.32Å; L783-F799 HydrophobicContact CD1-CB 3.95Å; L783-F799 HydrophobicContact CD1-CD1 3.53Å; L783-F799 HydrophobicContact CD1-CE1 4.36Å; L783-F799 HydrophobicContact CD1-CG 4.06Å; L783-F799 HydrophobicContact CD2-CD1 4.47Å; L783-F799 HydrophobicContact CG-CD1 4.1Å; L783-I801 HydrophobicContact CD1-CG1 3.9Å |
| 784 | C | 93.9 | Very high | 78.5 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 5% | 0.054 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 132.4 | 170.9 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | F799 A800 I834 C836 | C784-F799 WeakPolarHBondContact O-CA 3.18Å; C784-A800 PolarHBondContact N-O 2.82Å; C784-A800 PolarHBondContact O-N 3.42Å; C784-I834 HydrophobicContact CB-CB 4.25Å; C784-I834 HydrophobicContact CB-CG2 3.84Å; C784-I834 WeakPolarHBondContact CB-O 3.26Å; C784-C836 PolarHBondContact SG-N 3.24Å |
| 785 | P | 90.5 | Very high | 77.2 | Confident | 33 Ų | 33 | 46 Ų | 46 | 21% | 0.214 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 138.3 | 164.1 | 27.1 | -32.4 | 0 | 0 | 0 | 110.4 | I734 F799 | I734-P785 HydrophobicContact CD1-CB 3.67Å; I734-P785 HydrophobicContact CD1-CG 4.01Å; I734-P785 HydrophobicContact CG1-CB 4.16Å; I734-P785 HydrophobicContact CG1-CG 4.1Å; P785-F799 HydrophobicContact CB-CE1 4.49Å |
| 786 | V | 85.1 | Confident | 76.2 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 96.3 | 171.2 | -178.1 | 0 | 0 | 0 | 0 | 106.8 | Y788 T798 A800 L810 L842 C856 | V786-Y788 PolarHBondContact O-N 3.43Å; V786-T798 HydrophobicContact CB-CG2 4.44Å; V786-T798 PolarHBondContact N-O 2.94Å; V786-A800 HydrophobicContact CG2-CB 3.81Å; V786-L810 HydrophobicContact CG2-CD2 3.96Å; V786-L842 HydrophobicContact CG2-CD1 4.41Å; V786-C856 HydrophobicContact CG1-CB 3.94Å |
| 787 | S | 67.4 | Low | 75.8 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | trans | -79.3 | 115.5 | -180 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 788 | Y | 57.4 | Low | 75.6 | Confident | 45 Ų | 45 | 42.4 Ų | 42.4 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -138.4 | -32.9 | 166.9 | 177.6 | -115.5 | 0 | 0 | 0 | 113.2 | V786 R857 D859 R922 | V786-Y788 PolarHBondContact O-N 3.43Å; Y788-R857 HydrophobicContact CD1-CG 4.32Å; Y788-R857 HydrophobicContact CD2-CG 3.25Å; Y788-R857 HydrophobicContact CE2-CG 3.56Å; Y788-R857 HydrophobicContact CG-CG 3.71Å; Y788-D859 HydrophobicContact CE1-CB 4.14Å; Y788-D859 WeakPolarHBondContact OH-CB 3.44Å; Y788-D859 PolarHBondContact OH-OD1 3.37Å; Y788-D859 PolarHBondContact OH-OD2 3.48Å; Y788-R922 VanDerWaalsContact CZ-NH2 3.25Å; Y788-R922 PolarHBondContact OH-NH2 3.25Å |
| 789 | D | 48.2 | Very low | 75.7 | Confident | 98 Ų | 98 | 38 Ų | 38 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | trans | -138.7 | 93.2 | 173.8 | -93 | -37.4 | 0 | 0 | 0 | 109.3 | C791 | D789-C791 PolarHBondContact O-N 3Š| ||
| 790 | V | 49.6 | Very low | 75.7 | Confident | 107 Ų | 107 | 37.7 Ų | 37.7 | 65% | 0.648 | 23% | 0.234 | S | C | * | . | trans | -80.7 | 64.9 | 161.4 | -167.6 | 0 | 0 | 0 | 0 | 107.3 | G792 | V790-G792 PolarHBondContact O-N 3Š| ||
| 791 | C | 49.1 | Very low | 75.6 | Confident | 84 Ų | 84 | 37.7 Ų | 37.7 | 57% | 0.568 | 23% | 0.234 | S | C | * | . | trans | -59.6 | 123.5 | 144 | -78.4 | 0 | 0 | 0 | 0 | 103.9 | D789 S793 | D789-C791 PolarHBondContact O-N 3Å; C791-S793 PolarHBondContact O-N 3.21Å | ||
| 792 | G | 55.3 | Low | 75.6 | Confident | 48 Ų | 48 | 37 Ų | 37 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -64.3 | 27.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V790 | V790-G792 PolarHBondContact O-N 3Š|
| 793 | S | 62.2 | Low | 75.7 | Confident | 54 Ų | 54 | 36.9 Ų | 36.9 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -110.2 | 154.1 | 176.8 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | C791 E795 | C791-S793 PolarHBondContact O-N 3.21Å; S793-E795 PolarHBondContact O-N 3.4Å |
| 794 | L | 61.8 | Low | 75.6 | Confident | 25 Ų | 25 | 42 Ų | 42 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -61.7 | -31 | 177.4 | -161.2 | 80.5 | 0 | 0 | 0 | 112.9 | L736 V742 N756 F771 G796 L797 L813 N814 | L736-L794 HydrophobicContact CD1-CB 4.47Å; L736-L794 HydrophobicContact CD1-CD1 3.84Å; V742-L794 HydrophobicContact CG2-CD1 3.42Å; V742-L794 VanDerWaalsContact CG2-CD1 3.42Å; N756-L794 VanDerWaalsContact OD1-CD1 3.27Å; N756-L794 WeakPolarHBondContact OD1-CD1 3.34Å; F771-L794 HydrophobicContact CE1-CD2 4.34Å; F771-L794 HydrophobicContact CE2-CD2 3.81Å; F771-L794 HydrophobicContact CZ-CD2 3.47Å; F771-L794 VanDerWaalsContact CZ-CD2 3.47Å; L794-G796 PolarHBondContact O-N 3.29Å; L794-G796 VanDerWaalsContact O-N 3.08Å; L794-L797 PolarHBondContact O-N 3.48Å; L794-L813 HydrophobicContact CD1-CD2 3.52Å; L794-L813 HydrophobicContact CD2-CD2 3.88Å; L794-L813 HydrophobicContact CG-CD2 3.6Å; L794-N814 HydrophobicContact CD2-CB 4.32Å |
| 795 | E | 61.1 | Low | 75.4 | Confident | 132 Ų | 132 | 43.5 Ų | 43.5 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -67.7 | -9.2 | -169 | -63.9 | -174.9 | 162.5 | 0 | 0 | 114.8 | S793 K812 | S793-E795 PolarHBondContact O-N 3.4Å; E795-K812 WeakPolarHBondContact O-CE 3.37Å; E795-K812 PolarHBondContact O-NZ 3.44Å |
| 796 | G | 67.3 | Low | 75.5 | Confident | 30 Ų | 30 | 42 Ų | 42 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -101.5 | -15.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L794 T798 | L794-G796 PolarHBondContact O-N 3.29Å; L794-G796 VanDerWaalsContact O-N 3.08Å; G796-T798 PolarHBondContact O-N 2.62Å |
| 797 | L | 81.1 | Confident | 76 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 12% | 0.12 | 26% | 0.255 | C | S | . | . | trans | -76 | 119.4 | -161.4 | -168.4 | 63.4 | 0 | 0 | 0 | 111.8 | I734 V742 L794 F799 K812 L813 | I734-L797 HydrophobicContact CD1-CD1 4.25Å; I734-L797 HydrophobicContact CD1-CD2 3.94Å; I734-L797 HydrophobicContact CG2-CD1 4.01Å; I734-L797 HydrophobicContact CG2-CD2 4.32Å; V742-L797 HydrophobicContact CB-CD2 4.33Å; V742-L797 HydrophobicContact CG1-CD2 4.33Å; V742-L797 HydrophobicContact CG2-CD2 4.43Å; L794-L797 PolarHBondContact O-N 3.48Å; L797-F799 HydrophobicContact CD2-CE2 3.54Å; L797-F799 HydrophobicContact CD2-CZ 3.55Å; L797-F799 HydrophobicContact CG-CD2 4.44Å; L797-F799 HydrophobicContact CG-CE2 3.68Å; L797-F799 HydrophobicContact CG-CZ 3.99Å; L797-K812 CarbonylContact O-C 3.59Å; L797-K812 WeakPolarHBondContact O-CA 3.34Å; L797-L813 HydrophobicContact CB-CB 4.39Å; L797-L813 PolarHBondContact O-N 2.81Å | ||
| 798 | T | 86.5 | Confident | 77.3 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 178.5 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | V786 G796 L810 K811 | V786-T798 HydrophobicContact CB-CG2 4.44Å; V786-T798 PolarHBondContact N-O 2.94Å; G796-T798 PolarHBondContact O-N 2.62Å; T798-L810 HydrophobicContact CG2-CB 4.46Å; T798-K811 CarbonylContact C-O 3.57Å; T798-K811 WeakPolarHBondContact CA-O 3.41Å |
| 799 | F | 91.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.3 | 176.5 | -69.4 | -86.9 | 0 | 0 | 0 | 110.7 | I734 A744 L752 L783 C784 P785 L797 I801 L810 K811 L813 | I734-F799 HydrophobicContact CD1-CD1 4.45Å; I734-F799 HydrophobicContact CD1-CE1 3.3Å; I734-F799 HydrophobicContact CD1-CZ 3.37Å; A744-F799 HydrophobicContact CB-CD1 4.44Å; A744-F799 HydrophobicContact CB-CE1 3.57Å; A744-F799 HydrophobicContact CB-CE2 4.39Å; A744-F799 HydrophobicContact CB-CZ 3.54Å; L752-F799 HydrophobicContact CD2-CD2 4.49Å; L783-F799 HydrophobicContact CD1-CB 3.95Å; L783-F799 HydrophobicContact CD1-CD1 3.53Å; L783-F799 HydrophobicContact CD1-CE1 4.36Å; L783-F799 HydrophobicContact CD1-CG 4.06Å; L783-F799 HydrophobicContact CD2-CD1 4.47Å; L783-F799 HydrophobicContact CG-CD1 4.1Å; C784-F799 WeakPolarHBondContact O-CA 3.18Å; P785-F799 HydrophobicContact CB-CE1 4.49Å; L797-F799 HydrophobicContact CD2-CE2 3.54Å; L797-F799 HydrophobicContact CD2-CZ 3.55Å; L797-F799 HydrophobicContact CG-CD2 4.44Å; L797-F799 HydrophobicContact CG-CE2 3.68Å; L797-F799 HydrophobicContact CG-CZ 3.99Å; F799-I801 HydrophobicContact CB-CD1 4.28Å; F799-I801 HydrophobicContact CB-CG1 4.23Å; F799-L810 CarbonylContact O-C 3.46Å; F799-L810 WeakPolarHBondContact O-CA 3.31Å; F799-K811 PolarHBondContact N-O 2.78Å; F799-K811 PolarHBondContact O-N 2.88Å; F799-L813 HydrophobicContact CD2-CD1 4.11Å; F799-L813 HydrophobicContact CE2-CD1 3.71Å |
| 800 | A | 93.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | C784 V786 Y809 L810 I834 L842 | C784-A800 PolarHBondContact N-O 2.82Å; C784-A800 PolarHBondContact O-N 3.42Å; V786-A800 HydrophobicContact CG2-CB 3.81Å; A800-Y809 CarbonylContact C-O 3.53Å; A800-Y809 VanDerWaalsContact CA-O 3.27Å; A800-Y809 WeakPolarHBondContact CA-O 3.22Å; A800-L810 HydrophobicContact CB-CD2 3.83Å; A800-I834 HydrophobicContact CB-CG2 4.02Å; A800-L842 HydrophobicContact CB-CD1 3.47Å; A800-L842 VanDerWaalsContact CB-CD1 3.47Å; A800-L842 HydrophobicContact CB-CD2 3.73Å; A800-L842 HydrophobicContact CB-CG 4.24Å |
| 801 | I | 96.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 125.9 | -170.1 | -61.4 | 146.7 | 0 | 0 | 0 | 108.4 | V746 L752 I775 L780 A782 L783 F799 V808 Y809 K811 | V746-I801 HydrophobicContact CG1-CG2 4.12Å; L752-I801 HydrophobicContact CD2-CD1 4.06Å; I775-I801 HydrophobicContact CD1-CD1 4.34Å; I775-I801 HydrophobicContact CG1-CD1 4.28Å; I775-I801 HydrophobicContact CG2-CG2 4.48Å; L780-I801 HydrophobicContact CB-CG2 4.19Å; L780-I801 HydrophobicContact CD1-CG2 3.86Å; L780-I801 HydrophobicContact CD2-CG2 3.91Å; L780-I801 HydrophobicContact CG-CG2 4.19Å; A782-I801 WeakPolarHBondContact O-CA 3.15Å; L783-I801 HydrophobicContact CD1-CG1 3.9Å; F799-I801 HydrophobicContact CB-CD1 4.28Å; F799-I801 HydrophobicContact CB-CG1 4.23Å; I801-V808 CarbonylContact O-C 3.57Å; I801-V808 VanDerWaalsContact O-CA 3.31Å; I801-V808 WeakPolarHBondContact O-CA 3.12Å; I801-Y809 PolarHBondContact N-O 2.87Å; I801-Y809 PolarHBondContact O-N 2.85Å; I801-K811 HydrophobicContact CD1-CB 3.88Å |
| 802 | G | 96.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 153.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L780 T781 A782 | L780-G802 CarbonylContact C-O 3.58Å; L780-G802 WeakPolarHBondContact CA-O 3.37Å; T781-G802 PolarHBondContact N-O 3.1Å; T781-G802 PolarHBondContact OG1-O 3.36Å; A782-G802 PolarHBondContact O-N 2.81Å |
| 803 | T | 97.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160.6 | -177.7 | 62.2 | 0 | 0 | 0 | 0 | 112.3 | H776 A779 L780 S805 G806 E807 Y809 V831 | H776-T803 HydrophobicContact CB-CG2 4.11Å; A779-T803 WeakPolarHBondContact O-CA 3.28Å; L780-T803 HydrophobicContact CD2-CG2 3.71Å; T803-S805 PolarHBondContact O-N 3.11Å; T803-S805 PolarHBondContact OG1-OG 3.48Å; T803-G806 PolarHBondContact O-N 3.4Å; T803-G806 VanDerWaalsContact O-N 3.12Å; T803-G806 PolarHBondContact OG1-N 2.86Å; T803-E807 PolarHBondContact N-O 3.48Å; T803-E807 WeakPolarHBondContact OG1-CA 3.45Å; T803-E807 WeakPolarHBondContact OG1-CB 3.4Å; T803-E807 PolarHBondContact OG1-N 2.96Å; T803-E807 PolarHBondContact OG1-O 2.87Å; T803-Y809 HydrophobicContact CG2-CD2 3.94Å; T803-Y809 HydrophobicContact CG2-CE2 3.75Å; T803-V831 PolarHBondContact O-N 3.21Å |
| 804 | E | 94.3 | Very high | 85.7 | Confident | 106 Ų | 106 | 28.9 Ų | 28.9 | 50% | 0.495 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.4 | 172.2 | -170.7 | 178.1 | -169.1 | 0 | 0 | 112.6 | H778 A779 T781 G806 S830 | H778-E804 HydrophobicContact CB-CB 4.45Å; A779-E804 HydrophobicContact CB-CB 4.25Å; A779-E804 PolarHBondContact O-N 2.72Å; T781-E804 HydrophobicContact CG2-CB 4Å; E804-G806 VanDerWaalsContact C-N 3.26Å; E804-G806 PolarHBondContact O-N 3.48Å; E804-S830 WeakPolarHBondContact O-CA 3.21Å; E804-S830 WeakPolarHBondContact O-CB 3.42Å; E804-S830 PolarHBondContact O-N 2.83Å |
| 805 | S | 91.3 | Very high | 85.3 | Confident | 41 Ų | 41 | 30 Ų | 30 | 29% | 0.287 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.8 | 175.3 | 52 | 0 | 0 | 0 | 0 | 114 | H776 T803 E807 | H776-S805 PolarHBondContact CE1-OG 3.04Å; T803-S805 PolarHBondContact O-N 3.11Å; T803-S805 PolarHBondContact OG1-OG 3.48Å; S805-E807 PolarHBondContact OG-OE2 3.44Å |
| 806 | G | 91.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 90.5 | 4.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | T803 E804 F827 S829 | T803-G806 PolarHBondContact O-N 3.4Å; T803-G806 VanDerWaalsContact O-N 3.12Å; T803-G806 PolarHBondContact OG1-N 2.86Å; E804-G806 VanDerWaalsContact C-N 3.26Å; E804-G806 PolarHBondContact O-N 3.48Å; G806-F827 PolarHBondContact O-N 2.91Å; G806-S829 WeakPolarHBondContact CA-O 3.25Å |
| 807 | E | 95.4 | Very high | 84.4 | Confident | 24 Ų | 24 | 34.4 Ų | 34.4 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -84.3 | 146 | 176.6 | -65.6 | 167.4 | 114.3 | 0 | 0 | 111.6 | H776 T803 S805 Y809 R822 | H776-E807 IonicContact CD2-OE2 2.64Å; H776-E807 IonicContact CE1-OE2 3.57Å; H776-E807 PolarHBondContact CE1-OE2 2.77Å; H776-E807 IonicContact NE2-OE2 3.6Å; H776-E807 PolarHBondContact NE2-OE2 3.43Å; H776-E807 VanDerWaalsContact NE2-OE2 3.1Å; T803-E807 PolarHBondContact N-O 3.48Å; T803-E807 WeakPolarHBondContact OG1-CA 3.45Å; T803-E807 WeakPolarHBondContact OG1-CB 3.4Å; T803-E807 PolarHBondContact OG1-N 2.96Å; T803-E807 PolarHBondContact OG1-O 2.87Å; S805-E807 PolarHBondContact OG-OE2 3.44Å; E807-Y809 HydrophobicContact CB-CD2 4.49Å; E807-Y809 HydrophobicContact CB-CE2 3.72Å; E807-Y809 PolarHBondContact OE1-OH 3.41Å; E807-Y809 PolarHBondContact OE2-OH 2.86Å; E807-R822 WeakPolarHBondContact OE1-CD 3.4Å; E807-R822 IonicContact OE1-CZ 3.6Å; E807-R822 IonicContact OE1-NE 3.48Å; E807-R822 IonicContact OE1-NH1 3.45Å; E807-R822 PolarHBondContact OE1-NH1 3.08Å | ||
| 808 | V | 95.8 | Very high | 83 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.8 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | I801 L823 F827 V831 I834 L842 A844 W854 | I801-V808 CarbonylContact O-C 3.57Å; I801-V808 VanDerWaalsContact O-CA 3.31Å; I801-V808 WeakPolarHBondContact O-CA 3.12Å; V808-L823 HydrophobicContact CB-CB 4.43Å; V808-L823 HydrophobicContact CG1-CD1 3.98Å; V808-L823 PolarHBondContact O-N 2.69Å; V808-F827 HydrophobicContact CG2-CD2 4.38Å; V808-F827 HydrophobicContact CG2-CE2 4.14Å; V808-V831 HydrophobicContact CG2-CG1 4.49Å; V808-V831 HydrophobicContact CG2-CG2 3.91Å; V808-I834 HydrophobicContact CG1-CD1 4.03Å; V808-I834 HydrophobicContact CG2-CD1 4.41Å; V808-L842 HydrophobicContact CG1-CD2 4.25Å; V808-A844 HydrophobicContact CG2-CB 4.48Å; V808-W854 HydrophobicContact CG2-CH2 4.1Å; V808-W854 HydrophobicContact CG2-CZ3 4.43Å |
| 809 | Y | 93.9 | Very high | 81.8 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.6 | -177.1 | -65.6 | -79 | 0 | 0 | 0 | 112.1 | I775 H776 A800 I801 T803 E807 V820 K821 R822 | I775-Y809 HydrophobicContact CG2-CD2 3.79Å; I775-Y809 HydrophobicContact CG2-CE2 4.34Å; I775-Y809 HydrophobicContact CG2-CG 4Å; H776-Y809 HydrophobicContact CB-CE2 4.28Å; H776-Y809 PolarHBondContact CD2-OH 2.56Å; H776-Y809 VanDerWaalsContact CD2-OH 3.31Å; A800-Y809 CarbonylContact C-O 3.53Å; A800-Y809 VanDerWaalsContact CA-O 3.27Å; A800-Y809 WeakPolarHBondContact CA-O 3.22Å; I801-Y809 PolarHBondContact N-O 2.87Å; I801-Y809 PolarHBondContact O-N 2.85Å; T803-Y809 HydrophobicContact CG2-CD2 3.94Å; T803-Y809 HydrophobicContact CG2-CE2 3.75Å; E807-Y809 HydrophobicContact CB-CD2 4.49Å; E807-Y809 HydrophobicContact CB-CE2 3.72Å; E807-Y809 PolarHBondContact OE1-OH 3.41Å; E807-Y809 PolarHBondContact OE2-OH 2.86Å; Y809-V820 HydrophobicContact CD1-CG1 3.46Å; Y809-V820 VanDerWaalsContact CD1-CG1 3.46Å; Y809-V820 HydrophobicContact CE1-CG1 4.36Å; Y809-V820 HydrophobicContact CG-CG1 3.78Å; Y809-K821 CarbonylContact C-O 3.58Å; Y809-K821 WeakPolarHBondContact CA-O 3.29Å; Y809-R822 HydrophobicContact CD1-CB 3.85Å; Y809-R822 HydrophobicContact CD1-CG 4.12Å; Y809-R822 HydrophobicContact CE1-CB 3.68Å; Y809-R822 HydrophobicContact CE1-CG 3.77Å |
| 810 | L | 90.5 | Very high | 81.2 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.5 | 166 | -63.7 | 177.4 | 0 | 0 | 0 | 109.6 | V786 T798 F799 A800 K821 L823 L842 C856 | V786-L810 HydrophobicContact CG2-CD2 3.96Å; T798-L810 HydrophobicContact CG2-CB 4.46Å; F799-L810 CarbonylContact O-C 3.46Å; F799-L810 WeakPolarHBondContact O-CA 3.31Å; A800-L810 HydrophobicContact CB-CD2 3.83Å; L810-K821 HydrophobicContact CB-CB 4.4Å; L810-K821 PolarHBondContact N-O 2.8Å; L810-K821 PolarHBondContact O-N 2.84Å; L810-K821 VanDerWaalsContact O-N 3.07Å; L810-L823 HydrophobicContact CD1-CD1 4.44Å; L810-L823 HydrophobicContact CD1-CD2 3.99Å; L810-L823 HydrophobicContact CD1-CG 4.45Å; L810-L823 HydrophobicContact CG-CD1 4.28Å; L810-L823 HydrophobicContact CG-CD2 4.39Å; L810-L823 HydrophobicContact CG-CG 4.33Å; L810-L842 HydrophobicContact CD2-CD2 4.33Å; L810-C856 HydrophobicContact CD1-CB 4.48Å |
| 811 | K | 87.4 | Confident | 80.8 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 7% | 0.065 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.3 | 175.6 | 178 | 66.3 | -173.2 | 177 | 0 | 111 | I775 T798 F799 I801 N815 L818 V820 | I775-K811 HydrophobicContact CD1-CB 4.28Å; I775-K811 HydrophobicContact CD1-CD 4.42Å; I775-K811 HydrophobicContact CD1-CG 4.16Å; T798-K811 CarbonylContact C-O 3.57Å; T798-K811 WeakPolarHBondContact CA-O 3.41Å; F799-K811 PolarHBondContact N-O 2.78Å; F799-K811 PolarHBondContact O-N 2.88Å; I801-K811 HydrophobicContact CD1-CB 3.88Å; K811-N815 PolarHBondContact NZ-O 3.01Å; K811-L818 PolarHBondContact NZ-O 2.79Å; K811-V820 HydrophobicContact CD-CG2 4.14Å |
| 812 | K | 83.9 | Confident | 80.5 | Confident | 76 Ų | 76 | 57.1 Ų | 57.1 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 134.5 | 171.2 | -162.6 | 177 | -171.5 | -154.5 | 0 | 110.6 | E795 L797 | E795-K812 WeakPolarHBondContact O-CE 3.37Å; E795-K812 PolarHBondContact O-NZ 3.44Å; L797-K812 CarbonylContact O-C 3.59Å; L797-K812 WeakPolarHBondContact O-CA 3.34Å |
| 813 | L | 75.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 143.5 | 175.8 | -135.8 | 92.8 | 0 | 0 | 0 | 110.1 | A754 F771 Y773 L794 L797 F799 N815 | A754-L813 HydrophobicContact CB-CD1 3.94Å; A754-L813 HydrophobicContact CB-CD2 4.41Å; F771-L813 HydrophobicContact CD2-CD2 4.13Å; F771-L813 HydrophobicContact CE2-CD2 4.2Å; Y773-L813 HydrophobicContact CE2-CD1 3.89Å; Y773-L813 HydrophobicContact CE2-CG 4.19Å; L794-L813 HydrophobicContact CD1-CD2 3.52Å; L794-L813 HydrophobicContact CD2-CD2 3.88Å; L794-L813 HydrophobicContact CG-CD2 3.6Å; L797-L813 HydrophobicContact CB-CB 4.39Å; L797-L813 PolarHBondContact O-N 2.81Å; F799-L813 HydrophobicContact CD2-CD1 4.11Å; F799-L813 HydrophobicContact CE2-CD1 3.71Å; L813-N815 PolarHBondContact O-N 2.69Å |
| 814 | N | 65.9 | Low | 79.8 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 8.6 | 176.1 | -126 | 30.4 | 0 | 0 | 0 | 118.9 | Y773 L794 | Y773-N814 PolarHBondContact OH-N 2.92Å; L794-N814 HydrophobicContact CD2-CB 4.32Å |
| 815 | N | 55 | Low | 79.6 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -104 | 97.6 | 160.9 | -88 | -31.4 | 0 | 0 | 0 | 109.6 | K811 L813 S817 L818 | K811-N815 PolarHBondContact NZ-O 3.01Å; L813-N815 PolarHBondContact O-N 2.69Å; N815-S817 PolarHBondContact O-N 2.94Å; N815-L818 HydrophobicContact CB-CB 3.75Å; N815-L818 HydrophobicContact CB-CD1 4.16Å; N815-L818 WeakPolarHBondContact ND2-CD1 3.24Å; N815-L818 PolarHBondContact O-N 2.86Å | ||
| 816 | D | 57.1 | Low | 79.5 | Confident | 147 Ų | 147 | 59.8 Ų | 59.8 | 79% | 0.786 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.6 | 167.1 | -70.7 | -21 | 0 | 0 | 0 | 110.9 | ||
| 817 | S | 50.8 | Low | 79.4 | Confident | 108 Ų | 108 | 60 Ų | 60 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -3 | -177.9 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | N815 | N815-S817 PolarHBondContact O-N 2.94Š|
| 818 | L | 51.5 | Low | 78.8 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -100.3 | 125.9 | 174.2 | -107.1 | 118.6 | 0 | 0 | 0 | 113 | K811 N815 | K811-L818 PolarHBondContact NZ-O 2.79Å; N815-L818 HydrophobicContact CB-CB 3.75Å; N815-L818 HydrophobicContact CB-CD1 4.16Å; N815-L818 WeakPolarHBondContact ND2-CD1 3.24Å; N815-L818 PolarHBondContact O-N 2.86Å |
| 819 | Q | 63.1 | Low | 78.4 | Confident | 179 Ų | 179 | 64.4 Ų | 64.4 | 84% | 0.836 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 139.9 | 176.5 | -63.8 | -176 | -8 | 0 | 0 | 111.7 | K821 | Q819-K821 PolarHBondContact O-N 2.84Š|
| 820 | V | 78 | Confident | 78.4 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 32% | 0.315 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65 | 117.6 | 166.7 | -170.2 | 0 | 0 | 0 | 0 | 107.7 | I775 Y809 K811 | I775-V820 HydrophobicContact CD1-CG2 4.13Å; I775-V820 HydrophobicContact CG2-CG1 4.28Å; Y809-V820 HydrophobicContact CD1-CG1 3.46Å; Y809-V820 VanDerWaalsContact CD1-CG1 3.46Å; Y809-V820 HydrophobicContact CE1-CG1 4.36Å; Y809-V820 HydrophobicContact CG-CG1 3.78Å; K811-V820 HydrophobicContact CD-CG2 4.14Å |
| 821 | K | 85.8 | Confident | 78.7 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 115.9 | 178.9 | -177.9 | 178.4 | 177 | -178.2 | 0 | 109.2 | Y809 L810 Q819 Y864 | Y809-K821 CarbonylContact C-O 3.58Å; Y809-K821 WeakPolarHBondContact CA-O 3.29Å; L810-K821 HydrophobicContact CB-CB 4.4Å; L810-K821 PolarHBondContact N-O 2.8Å; L810-K821 PolarHBondContact O-N 2.84Å; L810-K821 VanDerWaalsContact O-N 3.07Å; Q819-K821 PolarHBondContact O-N 2.84Å; K821-Y864 HydrophobicContact CD-CE1 4.42Å; K821-Y864 VanDerWaalsContact NZ-CE1 3.33Å; K821-Y864 PolarHBondContact NZ-O 2.79Å |
| 822 | R | 90.4 | Very high | 79.2 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 45% | 0.445 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 134.8 | 170.6 | -167.6 | 171.9 | 70.1 | -172.1 | 0.1 | 110.1 | E807 Y809 E824 | E807-R822 WeakPolarHBondContact OE1-CD 3.4Å; E807-R822 IonicContact OE1-CZ 3.6Å; E807-R822 IonicContact OE1-NE 3.48Å; E807-R822 IonicContact OE1-NH1 3.45Å; E807-R822 PolarHBondContact OE1-NH1 3.08Å; Y809-R822 HydrophobicContact CD1-CB 3.85Å; Y809-R822 HydrophobicContact CD1-CG 4.12Å; Y809-R822 HydrophobicContact CE1-CB 3.68Å; Y809-R822 HydrophobicContact CE1-CG 3.77Å; R822-E824 IonicContact CZ-OE1 2.68Å; R822-E824 IonicContact NE-OE1 2.65Å; R822-E824 PolarHBondContact NE-OE1 2.89Å; R822-E824 IonicContact NH2-OE1 3.19Å; R822-E824 PolarHBondContact NH2-OE1 2.79Å |
| 823 | L | 91.6 | Very high | 79.8 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.2 | 171.2 | -61.8 | -178.8 | 0 | 0 | 0 | 109.6 | V808 L810 L842 W854 | V808-L823 HydrophobicContact CB-CB 4.43Å; V808-L823 HydrophobicContact CG1-CD1 3.98Å; V808-L823 PolarHBondContact O-N 2.69Å; L810-L823 HydrophobicContact CD1-CD1 4.44Å; L810-L823 HydrophobicContact CD1-CD2 3.99Å; L810-L823 HydrophobicContact CD1-CG 4.45Å; L810-L823 HydrophobicContact CG-CD1 4.28Å; L810-L823 HydrophobicContact CG-CD2 4.39Å; L810-L823 HydrophobicContact CG-CG 4.33Å; L823-L842 HydrophobicContact CD1-CD2 3.63Å; L823-W854 HydrophobicContact CB-CD2 4.47Å; L823-W854 HydrophobicContact CB-CZ2 4.34Å; L823-W854 HydrophobicContact CD1-CB 4.28Å; L823-W854 HydrophobicContact CD1-CD2 3.97Å; L823-W854 HydrophobicContact CD1-CE3 4.27Å; L823-W854 HydrophobicContact CD1-CG 3.98Å |
| 824 | E | 87.8 | Confident | 80.9 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 43% | 0.425 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -113.4 | 151.4 | 177.2 | -66.6 | -68.7 | 172.4 | 0 | 0 | 110.1 | R822 S826 W854 | R822-E824 IonicContact CZ-OE1 2.68Å; R822-E824 IonicContact NE-OE1 2.65Å; R822-E824 PolarHBondContact NE-OE1 2.89Å; R822-E824 IonicContact NH2-OE1 3.19Å; R822-E824 PolarHBondContact NH2-OE1 2.79Å; E824-S826 PolarHBondContact OE2-N 3.4Å; E824-W854 PolarHBondContact O-NE1 3.33Å |
| 825 | P | 90.2 | Very high | 82.2 | Confident | 57 Ų | 57 | 61 Ų | 61 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | S | Bend | cis | -76.2 | 152 | -10 | 33 | -32.9 | 0 | 0 | 0 | 112 | H852 L867 | P825-H852 PolarHBondContact O-ND1 3Å; P825-L867 HydrophobicContact CG-CD2 3.95Å |
| 826 | S | 88.2 | Confident | 84 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 155.8 | 166.7 | 47.7 | 0 | 0 | 0 | 0 | 112.2 | E824 | E824-S826 PolarHBondContact OE2-N 3.4Š|
| 827 | F | 90.7 | Very high | 85.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 156.7 | 166.5 | -65.3 | -83 | 0 | 0 | 0 | 110.3 | G806 V808 S829 V831 A844 S846 E848 R850 H852 W854 | G806-F827 PolarHBondContact O-N 2.91Å; V808-F827 HydrophobicContact CG2-CD2 4.38Å; V808-F827 HydrophobicContact CG2-CE2 4.14Å; F827-S829 VanDerWaalsContact C-N 3.26Å; F827-S829 WeakPolarHBondContact CB-O 3.37Å; F827-S829 PolarHBondContact O-N 3.11Å; F827-V831 HydrophobicContact CD2-CG2 3.83Å; F827-V831 HydrophobicContact CE2-CG2 4.29Å; F827-A844 HydrophobicContact CE2-CB 3.83Å; F827-A844 HydrophobicContact CZ-CB 3.97Å; F827-S846 VanDerWaalsContact CG-CB 3.42Å; F827-E848 WeakPolarHBondContact CA-OE1 3.43Å; F827-E848 WeakPolarHBondContact CD1-OE1 3.5Å; F827-R850 HydrophobicContact CD1-CB 4.21Å; F827-R850 HydrophobicContact CD1-CG 4.39Å; F827-R850 HydrophobicContact CE1-CB 4.18Å; F827-R850 HydrophobicContact CE1-CG 4.18Å; F827-H852 AromaticContact CD1-CE1 3.87Å; F827-H852 HydrophobicContact CE1-CB 4.04Å; F827-H852 AromaticContact CE1-CD2 3.59Å; F827-H852 AromaticContact CE1-CE1 3.83Å; F827-H852 AromaticContact CE1-CG 3.49Å; F827-H852 VanDerWaalsContact CE1-CG 3.49Å; F827-H852 AromaticContact CE1-ND1 3.67Å; F827-H852 AromaticContact CE1-NE2 3.83Å; F827-H852 HydrophobicContact CE2-CB 4.31Å; F827-H852 AromaticContact CE2-ND1 3.96Å; F827-H852 HydrophobicContact CZ-CB 3.55Å; F827-H852 AromaticContact CZ-CG 3.45Å; F827-H852 VanDerWaalsContact CZ-CG 3.45Å; F827-H852 AromaticContact CZ-ND1 3.62Å; F827-W854 AromaticContact CE2-CH2 3.87Å; F827-W854 HydrophobicContact CE2-CH2 3.87Å; F827-W854 HydrophobicContact CE2-CZ3 4.46Å; F827-W854 HydrophobicContact CZ-CH2 4.21Å |
| 828 | A | 82.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 60% | 0.603 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -82.2 | -3.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E848 | A828-E848 WeakPolarHBondContact CB-OE2 3.5Å; A828-E848 PolarHBondContact N-OE1 3.29Å |
| 829 | S | 88.1 | Confident | 88.2 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 32% | 0.315 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -148 | 170.2 | -178.4 | -167.2 | 0 | 0 | 0 | 0 | 110.8 | G806 F827 V831 S846 | G806-S829 WeakPolarHBondContact CA-O 3.25Å; F827-S829 VanDerWaalsContact C-N 3.26Å; F827-S829 WeakPolarHBondContact CB-O 3.37Å; F827-S829 PolarHBondContact O-N 3.11Å; S829-V831 PolarHBondContact O-N 3.16Å; S829-S846 VanDerWaalsContact C-OG 3.23Å; S829-S846 PolarHBondContact O-OG 2.81Å |
| 830 | S | 93 | Very high | 89.3 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | trans | -46.5 | 131.2 | -178 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | E804 T832 S846 A847 | E804-S830 WeakPolarHBondContact O-CA 3.21Å; E804-S830 WeakPolarHBondContact O-CB 3.42Å; E804-S830 PolarHBondContact O-N 2.83Å; S830-T832 PolarHBondContact O-N 2.96Å; S830-S846 VanDerWaalsContact O-CA 3.27Å; S830-S846 WeakPolarHBondContact O-CA 3.47Å; S830-S846 WeakPolarHBondContact O-CB 3.27Å; S830-S846 PolarHBondContact O-OG 3.49Å; S830-S846 VanDerWaalsContact O-OG 3.04Å; S830-A847 PolarHBondContact O-N 3.18Å | ||
| 831 | V | 97.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.9 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | T781 A782 T803 V808 F827 S829 I834 A844 I845 | T781-V831 VanDerWaalsContact CB-O 3.29Å; T781-V831 WeakPolarHBondContact CB-O 3.2Å; T781-V831 PolarHBondContact OG1-O 2.55Å; A782-V831 HydrophobicContact CB-CG1 4.29Å; T803-V831 PolarHBondContact O-N 3.21Å; V808-V831 HydrophobicContact CG2-CG1 4.49Å; V808-V831 HydrophobicContact CG2-CG2 3.91Å; F827-V831 HydrophobicContact CD2-CG2 3.83Å; F827-V831 HydrophobicContact CE2-CG2 4.29Å; S829-V831 PolarHBondContact O-N 3.16Å; V831-I834 HydrophobicContact CG1-CD1 3.97Å; V831-I834 HydrophobicContact CG1-CG1 3.7Å; V831-A844 HydrophobicContact CG1-CB 4.31Å; V831-I845 WeakPolarHBondContact CA-O 3.36Å; V831-I845 WeakPolarHBondContact CG1-O 3.01Å |
| 832 | T | 96.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -31.5 | -174.8 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | S830 I845 A847 P878 L879 | S830-T832 PolarHBondContact O-N 2.96Å; T832-I845 PolarHBondContact N-O 2.84Å; T832-I845 WeakPolarHBondContact OG1-CG1 3.47Å; T832-I845 PolarHBondContact OG1-O 3.01Å; T832-A847 HydrophobicContact CG2-CB 4.05Å; T832-P878 VanDerWaalsContact CB-O 3.25Å; T832-P878 WeakPolarHBondContact CB-O 3.36Å; T832-P878 WeakPolarHBondContact CG2-O 3.24Å; T832-P878 PolarHBondContact OG1-O 3.41Å; T832-L879 CarbonylContact C-O 3.6Å |
| 833 | S | 97.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 151 | 173.4 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | A844 I845 L881 | S833-A844 WeakPolarHBondContact O-CA 3.38Å; S833-I845 PolarHBondContact O-N 3.11Å; S833-L881 PolarHBondContact OG-N 2.85Å |
| 834 | I | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.7 | 175.3 | -59.3 | 179.1 | 0 | 0 | 0 | 107.9 | A782 C784 A800 V808 V831 L842 V843 A844 | A782-I834 HydrophobicContact CB-CB 4.33Å; A782-I834 HydrophobicContact CB-CD1 4.12Å; A782-I834 HydrophobicContact CB-CG1 3.82Å; C784-I834 HydrophobicContact CB-CB 4.25Å; C784-I834 HydrophobicContact CB-CG2 3.84Å; C784-I834 WeakPolarHBondContact CB-O 3.26Å; A800-I834 HydrophobicContact CB-CG2 4.02Å; V808-I834 HydrophobicContact CG1-CD1 4.03Å; V808-I834 HydrophobicContact CG2-CD1 4.41Å; V831-I834 HydrophobicContact CG1-CD1 3.97Å; V831-I834 HydrophobicContact CG1-CG1 3.7Å; I834-L842 HydrophobicContact CG2-CD1 3.43Å; I834-L842 VanDerWaalsContact CG2-CD1 3.43Å; I834-L842 HydrophobicContact CG2-CG 4.02Å; I834-V843 CarbonylContact C-O 3.53Å; I834-V843 WeakPolarHBondContact CA-O 3.4Å; I834-A844 HydrophobicContact CG1-CB 3.85Å |
| 835 | K | 94.7 | Very high | 91.3 | Very high | 52 Ų | 52 | 23.9 Ų | 23.9 | 23% | 0.226 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.3 | 166.9 | -58.2 | -68.3 | 176.1 | -168.4 | 0 | 110.6 | V843 L881 V883 | K835-V843 PolarHBondContact N-O 3.16Å; K835-V843 PolarHBondContact O-N 2.74Å; K835-L881 HydrophobicContact CB-CD1 3.7Å; K835-L881 HydrophobicContact CB-CG 4.48Å; K835-L881 WeakPolarHBondContact CE-O 3.34Å; K835-L881 HydrophobicContact CG-CD1 3.58Å; K835-L881 HydrophobicContact CG-CG 3.89Å; K835-L881 VanDerWaalsContact CG-O 3.3Å; K835-L881 WeakPolarHBondContact CG-O 3.07Å; K835-V883 HydrophobicContact CB-CG1 4.45Å; K835-V883 HydrophobicContact CB-CG2 3.68Å |
| 836 | C | 92.6 | Very high | 91.5 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 137.7 | 175.8 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | C784 L841 L842 | C784-C836 PolarHBondContact SG-N 3.24Å; C836-L841 WeakPolarHBondContact CA-O 3.15Å; C836-L842 HydrophobicContact CB-CD1 3.85Å |
| 837 | T | 89 | Confident | 91.5 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | trans | -76.4 | 164.5 | 168.9 | 71.3 | 0 | 0 | 0 | 0 | 110.5 | D839 G840 L841 V883 V885 L890 | T837-D839 PolarHBondContact O-N 2.7Å; T837-D839 VanDerWaalsContact O-N 3.16Å; T837-D839 PolarHBondContact OG1-N 3Å; T837-G840 PolarHBondContact O-N 3.11Å; T837-G840 VanDerWaalsContact O-N 3.11Å; T837-L841 HydrophobicContact CG2-CB 4.07Å; T837-L841 PolarHBondContact N-O 3Å; T837-L841 WeakPolarHBondContact OG1-CB 3.5Å; T837-L841 PolarHBondContact OG1-N 3.25Å; T837-L841 VanDerWaalsContact OG1-N 3.14Å; T837-V883 HydrophobicContact CG2-CB 4.23Å; T837-V883 HydrophobicContact CG2-CG2 3.82Å; T837-V885 HydrophobicContact CG2-CG2 3.69Å; T837-L890 HydrophobicContact CG2-CD1 3.79Å | ||
| 838 | S | 80.2 | Confident | 91.2 | Very high | 83 Ų | 83 | 22.5 Ų | 22.5 | 58% | 0.58 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.7 | 171.8 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | G840 | S838-G840 VanDerWaalsContact C-N 3.35Š|
| 839 | D | 78.7 | Confident | 91.4 | Very high | 37 Ų | 37 | 20.1 Ų | 20.1 | 20% | 0.198 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.2 | -179.4 | -55.2 | -56.9 | 0 | 0 | 0 | 113.3 | T837 Q855 R857 M918 | T837-D839 PolarHBondContact O-N 2.7Å; T837-D839 VanDerWaalsContact O-N 3.16Å; T837-D839 PolarHBondContact OG1-N 3Å; D839-Q855 PolarHBondContact O-OE1 3.49Å; D839-R857 WeakPolarHBondContact O-CD 3.31Å; D839-M918 HydrophobicContact CB-CG 4.01Å; D839-M918 HydrophobicContact CB-SD 3.76Å |
| 840 | G | 84.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | 84.9 | 7.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T837 S838 L842 Q855 C856 | T837-G840 PolarHBondContact O-N 3.11Å; T837-G840 VanDerWaalsContact O-N 3.11Å; S838-G840 VanDerWaalsContact C-N 3.35Å; G840-L842 PolarHBondContact O-N 3.03Å; G840-Q855 VanDerWaalsContact C-OE1 3.25Å; G840-Q855 PolarHBondContact O-OE1 2.78Å; G840-Q855 VanDerWaalsContact O-OE1 3.05Å; G840-C856 WeakPolarHBondContact O-CA 3.33Å; G840-C856 WeakPolarHBondContact O-CB 3.47Å; G840-C856 PolarHBondContact O-N 2.93Å | ||
| 841 | L | 90.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 111 | 174.5 | -62.8 | 171.4 | 0 | 0 | 0 | 109.5 | C836 T837 Q855 L868 L890 L906 L910 | C836-L841 WeakPolarHBondContact CA-O 3.15Å; T837-L841 HydrophobicContact CG2-CB 4.07Å; T837-L841 PolarHBondContact N-O 3Å; T837-L841 WeakPolarHBondContact OG1-CB 3.5Å; T837-L841 PolarHBondContact OG1-N 3.25Å; T837-L841 VanDerWaalsContact OG1-N 3.14Å; L841-Q855 HydrophobicContact CD2-CB 4.37Å; L841-L868 HydrophobicContact CD2-CD1 3.8Å; L841-L890 HydrophobicContact CD1-CD2 4.4Å; L841-L906 HydrophobicContact CD1-CD2 3.41Å; L841-L906 VanDerWaalsContact CD1-CD2 3.41Å; L841-L910 HydrophobicContact CD2-CD2 4.33Å |
| 842 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119 | 179.9 | -171.4 | 72.6 | 0 | 0 | 0 | 109.5 | V786 A800 V808 L810 L823 I834 C836 G840 I853 W854 | V786-L842 HydrophobicContact CG2-CD1 4.41Å; A800-L842 HydrophobicContact CB-CD1 3.47Å; A800-L842 VanDerWaalsContact CB-CD1 3.47Å; A800-L842 HydrophobicContact CB-CD2 3.73Å; A800-L842 HydrophobicContact CB-CG 4.24Å; V808-L842 HydrophobicContact CG1-CD2 4.25Å; L810-L842 HydrophobicContact CD2-CD2 4.33Å; L823-L842 HydrophobicContact CD1-CD2 3.63Å; I834-L842 HydrophobicContact CG2-CD1 3.43Å; I834-L842 VanDerWaalsContact CG2-CD1 3.43Å; I834-L842 HydrophobicContact CG2-CG 4.02Å; C836-L842 HydrophobicContact CB-CD1 3.85Å; G840-L842 PolarHBondContact O-N 3.03Å; L842-I853 CarbonylContact O-C 3.54Å; L842-I853 VanDerWaalsContact O-CA 3.31Å; L842-I853 WeakPolarHBondContact O-CA 3.46Å; L842-W854 HydrophobicContact CD2-CE3 4.39Å; L842-W854 PolarHBondContact N-O 3.34Å; L842-W854 PolarHBondContact O-N 3.29Å |
| 843 | V | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126 | 179.2 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | I834 K835 L851 H852 I853 L881 V883 L890 V892 | I834-V843 CarbonylContact C-O 3.53Å; I834-V843 WeakPolarHBondContact CA-O 3.4Å; K835-V843 PolarHBondContact N-O 3.16Å; K835-V843 PolarHBondContact O-N 2.74Å; V843-L851 HydrophobicContact CG1-CD1 3.77Å; V843-L851 HydrophobicContact CG1-CD2 4.24Å; V843-L851 HydrophobicContact CG1-CG 4Å; V843-H852 WeakPolarHBondContact CA-O 3.49Å; V843-I853 HydrophobicContact CG1-CG1 4.29Å; V843-I853 HydrophobicContact CG2-CD1 4.46Å; V843-I853 HydrophobicContact CG2-CG1 4.09Å; V843-I853 HydrophobicContact CG2-CG2 4.26Å; V843-L881 HydrophobicContact CB-CD1 4.17Å; V843-L881 HydrophobicContact CG1-CD1 4.03Å; V843-V883 HydrophobicContact CB-CG1 3.89Å; V843-V883 HydrophobicContact CG1-CG1 4.27Å; V843-V883 HydrophobicContact CG2-CG1 3.78Å; V843-L890 HydrophobicContact CG2-CD2 4.24Å; V843-V892 HydrophobicContact CG1-CG1 4.15Å |
| 844 | A | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V808 F827 V831 S833 I834 L851 H852 W854 | V808-A844 HydrophobicContact CG2-CB 4.48Å; F827-A844 HydrophobicContact CE2-CB 3.83Å; F827-A844 HydrophobicContact CZ-CB 3.97Å; V831-A844 HydrophobicContact CG1-CB 4.31Å; S833-A844 WeakPolarHBondContact O-CA 3.38Å; I834-A844 HydrophobicContact CG1-CB 3.85Å; A844-L851 WeakPolarHBondContact O-CA 3.12Å; A844-H852 PolarHBondContact N-O 3.11Å; A844-H852 PolarHBondContact O-N 2.65Å; A844-W854 HydrophobicContact CB-CH2 4.44Å; A844-W854 HydrophobicContact CB-CZ3 3.76Å |
| 845 | I | 97.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.5 | 174.8 | 59.8 | -178.9 | 0 | 0 | 0 | 110.2 | V831 T832 S833 R850 L851 L873 P878 L881 V894 | V831-I845 WeakPolarHBondContact CA-O 3.36Å; V831-I845 WeakPolarHBondContact CG1-O 3.01Å; T832-I845 PolarHBondContact N-O 2.84Å; T832-I845 WeakPolarHBondContact OG1-CG1 3.47Å; T832-I845 PolarHBondContact OG1-O 3.01Å; S833-I845 PolarHBondContact O-N 3.11Å; I845-R850 VanDerWaalsContact CA-O 3.27Å; I845-R850 WeakPolarHBondContact CA-O 3.39Å; I845-L851 HydrophobicContact CG2-CB 4.03Å; I845-L851 HydrophobicContact CG2-CD1 3.87Å; I845-L851 HydrophobicContact CG2-CG 4.1Å; I845-L873 HydrophobicContact CB-CD1 4.5Å; I845-L873 HydrophobicContact CG2-CD1 4.06Å; I845-P878 HydrophobicContact CD1-CB 4.1Å; I845-L881 HydrophobicContact CB-CD2 4.22Å; I845-L881 HydrophobicContact CD1-CB 4.11Å; I845-L881 HydrophobicContact CD1-CD2 3.76Å; I845-L881 HydrophobicContact CD1-CG 4.47Å; I845-L881 HydrophobicContact CG1-CD2 3.64Å; I845-L881 HydrophobicContact CG2-CD2 3.83Å; I845-V894 HydrophobicContact CD1-CG1 3.67Å; I845-V894 HydrophobicContact CG2-CG1 4.06Å; I845-V894 HydrophobicContact CG2-CG2 4.21Å |
| 846 | S | 94 | Very high | 90.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 154.3 | 179.2 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | F827 S829 S830 E848 D849 R850 P878 | F827-S846 VanDerWaalsContact CG-CB 3.42Å; S829-S846 VanDerWaalsContact C-OG 3.23Å; S829-S846 PolarHBondContact O-OG 2.81Å; S830-S846 VanDerWaalsContact O-CA 3.27Å; S830-S846 WeakPolarHBondContact O-CA 3.47Å; S830-S846 WeakPolarHBondContact O-CB 3.27Å; S830-S846 PolarHBondContact O-OG 3.49Å; S830-S846 VanDerWaalsContact O-OG 3.04Å; S846-E848 PolarHBondContact O-N 3.19Å; S846-E848 PolarHBondContact OG-N 3.31Å; S846-D849 PolarHBondContact O-N 3.16Å; S846-D849 VanDerWaalsContact O-N 3.09Å; S846-R850 PolarHBondContact N-O 3.08Å; S846-P878 WeakPolarHBondContact O-CG 3.32Å |
| 847 | A | 88.1 | Confident | 89.9 | Confident | 40 Ų | 40 | 16.6 Ų | 16.6 | 33% | 0.331 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -0.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | S830 T832 D849 | S830-A847 PolarHBondContact O-N 3.18Å; T832-A847 HydrophobicContact CG2-CB 4.05Å; A847-D849 VanDerWaalsContact C-N 3.28Å |
| 848 | E | 84.7 | Confident | 89.2 | Confident | 47 Ų | 47 | 19.9 Ų | 19.9 | 22% | 0.22 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 20 | 167.8 | 69.5 | 169 | 165.1 | 0 | 0 | 114.1 | F827 A828 S846 R850 | F827-E848 WeakPolarHBondContact CA-OE1 3.43Å; F827-E848 WeakPolarHBondContact CD1-OE1 3.5Å; A828-E848 WeakPolarHBondContact CB-OE2 3.5Å; A828-E848 PolarHBondContact N-OE1 3.29Å; S846-E848 PolarHBondContact O-N 3.19Å; S846-E848 PolarHBondContact OG-N 3.31Å; E848-R850 VanDerWaalsContact C-N 3.29Å; E848-R850 HydrophobicContact CG-CB 3.74Å; E848-R850 PolarHBondContact O-N 2.91Å; E848-R850 IonicContact OE1-NE 3.29Å |
| 849 | D | 86.6 | Confident | 89 | Confident | 22 Ų | 22 | 18.6 Ų | 18.6 | 12% | 0.118 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 39.9 | -177.8 | -55.4 | -22.8 | 0 | 0 | 0 | 112.6 | H569 S846 A847 L872 L873 S876 D877 P878 | H569-D849 IonicContact CD2-OD2 3.31Å; S846-D849 PolarHBondContact O-N 3.16Å; S846-D849 VanDerWaalsContact O-N 3.09Å; A847-D849 VanDerWaalsContact C-N 3.28Å; D849-L872 CarbonylContact O-C 3.48Å; D849-L872 WeakPolarHBondContact O-CA 2.99Å; D849-L873 PolarHBondContact O-N 2.8Å; D849-S876 WeakPolarHBondContact OD1-CA 3.17Å; D849-D877 PolarHBondContact OD1-N 3.41Å; D849-D877 VanDerWaalsContact OD1-N 3.16Å; D849-P878 WeakPolarHBondContact OD1-CD 3.2Å |
| 850 | R | 90.4 | Very high | 89 | Confident | 88 Ų | 88 | 17 Ų | 17 | 33% | 0.332 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.1 | -177.2 | -168 | 175.9 | -69.1 | -159.8 | 1.8 | 112.2 | F827 I845 S846 E848 H852 T871 | F827-R850 HydrophobicContact CD1-CB 4.21Å; F827-R850 HydrophobicContact CD1-CG 4.39Å; F827-R850 HydrophobicContact CE1-CB 4.18Å; F827-R850 HydrophobicContact CE1-CG 4.18Å; I845-R850 VanDerWaalsContact CA-O 3.27Å; I845-R850 WeakPolarHBondContact CA-O 3.39Å; S846-R850 PolarHBondContact N-O 3.08Å; E848-R850 VanDerWaalsContact C-N 3.29Å; E848-R850 HydrophobicContact CG-CB 3.74Å; E848-R850 PolarHBondContact O-N 2.91Å; E848-R850 IonicContact OE1-NE 3.29Å; R850-H852 VanDerWaalsContact CD-NE2 3.25Å; R850-H852 WeakPolarHBondContact CD-NE2 3.43Å; R850-T871 WeakPolarHBondContact CA-O 3.36Å; R850-T871 WeakPolarHBondContact CG-O 3.31Å |
| 851 | L | 95 | Very high | 88.5 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.9 | 174.6 | 179 | 146.2 | 0 | 0 | 0 | 110.8 | V843 A844 I845 I853 A870 T871 L873 V892 V894 I902 | V843-L851 HydrophobicContact CG1-CD1 3.77Å; V843-L851 HydrophobicContact CG1-CD2 4.24Å; V843-L851 HydrophobicContact CG1-CG 4Å; A844-L851 WeakPolarHBondContact O-CA 3.12Å; I845-L851 HydrophobicContact CG2-CB 4.03Å; I845-L851 HydrophobicContact CG2-CD1 3.87Å; I845-L851 HydrophobicContact CG2-CG 4.1Å; L851-I853 HydrophobicContact CD2-CD1 3.89Å; L851-I853 HydrophobicContact CD2-CG1 3.55Å; L851-A870 WeakPolarHBondContact O-CA 3.48Å; L851-T871 HydrophobicContact CB-CG2 4.22Å; L851-T871 HydrophobicContact CD2-CG2 4.23Å; L851-T871 PolarHBondContact N-O 2.88Å; L851-T871 PolarHBondContact O-N 2.94Å; L851-L873 HydrophobicContact CB-CD1 4.4Å; L851-L873 HydrophobicContact CB-CD2 3.89Å; L851-L873 HydrophobicContact CB-CG 4.14Å; L851-L873 HydrophobicContact CD1-CD2 4.23Å; L851-V892 HydrophobicContact CD1-CG1 3.82Å; L851-V894 HydrophobicContact CD1-CG2 3.99Å; L851-I902 HydrophobicContact CD1-CD1 4.37Å |
| 852 | H | 95.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.1 | 172.2 | -70.9 | -178.9 | 0 | 0 | 0 | 111 | P825 F827 V843 A844 R850 W854 L867 I869 A870 | P825-H852 PolarHBondContact O-ND1 3Å; F827-H852 AromaticContact CD1-CE1 3.87Å; F827-H852 HydrophobicContact CE1-CB 4.04Å; F827-H852 AromaticContact CE1-CD2 3.59Å; F827-H852 AromaticContact CE1-CE1 3.83Å; F827-H852 AromaticContact CE1-CG 3.49Å; F827-H852 VanDerWaalsContact CE1-CG 3.49Å; F827-H852 AromaticContact CE1-ND1 3.67Å; F827-H852 AromaticContact CE1-NE2 3.83Å; F827-H852 HydrophobicContact CE2-CB 4.31Å; F827-H852 AromaticContact CE2-ND1 3.96Å; F827-H852 HydrophobicContact CZ-CB 3.55Å; F827-H852 AromaticContact CZ-CG 3.45Å; F827-H852 VanDerWaalsContact CZ-CG 3.45Å; F827-H852 AromaticContact CZ-ND1 3.62Å; V843-H852 WeakPolarHBondContact CA-O 3.49Å; A844-H852 PolarHBondContact N-O 3.11Å; A844-H852 PolarHBondContact O-N 2.65Å; R850-H852 VanDerWaalsContact CD-NE2 3.25Å; R850-H852 WeakPolarHBondContact CD-NE2 3.43Å; H852-W854 HydrophobicContact CB-CD2 4.48Å; H852-W854 HydrophobicContact CB-CE3 4.06Å; H852-W854 HydrophobicContact CB-CH2 3.21Å; H852-W854 HydrophobicContact CB-CZ2 3.68Å; H852-W854 HydrophobicContact CB-CZ3 3.42Å; H852-W854 VanDerWaalsContact CB-CZ3 3.42Å; H852-W854 AromaticContact CG-CH2 3.74Å; H852-W854 AromaticContact CG-CZ2 3.94Å; H852-W854 AromaticContact ND1-CH2 3.46Å; H852-W854 WeakPolarHBondContact ND1-CH2 3.38Å; H852-W854 AromaticContact ND1-CZ2 3.42Å; H852-W854 WeakPolarHBondContact ND1-CZ2 3.29Å; H852-L867 HydrophobicContact CB-CD1 3.71Å; H852-I869 CarbonylContact C-O 3.58Å; H852-I869 VanDerWaalsContact CA-O 3.3Å; H852-I869 WeakPolarHBondContact CA-O 3.08Å; H852-A870 WeakPolarHBondContact CD2-CB 3.48Å |
| 853 | I | 95.1 | Very high | 87 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.9 | 174.7 | -53.2 | -178.8 | 0 | 0 | 0 | 109.1 | L842 V843 L851 L868 I869 L890 L904 | L842-I853 CarbonylContact O-C 3.54Å; L842-I853 VanDerWaalsContact O-CA 3.31Å; L842-I853 WeakPolarHBondContact O-CA 3.46Å; V843-I853 HydrophobicContact CG1-CG1 4.29Å; V843-I853 HydrophobicContact CG2-CD1 4.46Å; V843-I853 HydrophobicContact CG2-CG1 4.09Å; V843-I853 HydrophobicContact CG2-CG2 4.26Å; L851-I853 HydrophobicContact CD2-CD1 3.89Å; L851-I853 HydrophobicContact CD2-CG1 3.55Å; I853-L868 HydrophobicContact CG2-CB 4.5Å; I853-L868 HydrophobicContact CG2-CD1 4.22Å; I853-L868 PolarHBondContact O-N 2.95Å; I853-I869 HydrophobicContact CB-CB 4.42Å; I853-I869 HydrophobicContact CD1-CB 4.35Å; I853-I869 HydrophobicContact CG1-CB 4.41Å; I853-I869 PolarHBondContact N-O 3.24Å; I853-I869 PolarHBondContact O-N 3.14Å; I853-L890 HydrophobicContact CD1-CD2 3.81Å; I853-L890 HydrophobicContact CG2-CD2 4.5Å; I853-L904 HydrophobicContact CD1-CD1 3.47Å; I853-L904 VanDerWaalsContact CD1-CD1 3.47Å |
| 854 | W | 92.8 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 154.9 | 172.1 | -60.9 | -95 | 0 | 0 | 0 | 111.2 | V808 L823 E824 F827 L842 A844 H852 E866 L867 | V808-W854 HydrophobicContact CG2-CH2 4.1Å; V808-W854 HydrophobicContact CG2-CZ3 4.43Å; L823-W854 HydrophobicContact CB-CD2 4.47Å; L823-W854 HydrophobicContact CB-CZ2 4.34Å; L823-W854 HydrophobicContact CD1-CB 4.28Å; L823-W854 HydrophobicContact CD1-CD2 3.97Å; L823-W854 HydrophobicContact CD1-CE3 4.27Å; L823-W854 HydrophobicContact CD1-CG 3.98Å; E824-W854 PolarHBondContact O-NE1 3.33Å; F827-W854 AromaticContact CE2-CH2 3.87Å; F827-W854 HydrophobicContact CE2-CH2 3.87Å; F827-W854 HydrophobicContact CE2-CZ3 4.46Å; F827-W854 HydrophobicContact CZ-CH2 4.21Å; L842-W854 HydrophobicContact CD2-CE3 4.39Å; L842-W854 PolarHBondContact N-O 3.34Å; L842-W854 PolarHBondContact O-N 3.29Å; A844-W854 HydrophobicContact CB-CH2 4.44Å; A844-W854 HydrophobicContact CB-CZ3 3.76Å; H852-W854 HydrophobicContact CB-CD2 4.48Å; H852-W854 HydrophobicContact CB-CE3 4.06Å; H852-W854 HydrophobicContact CB-CH2 3.21Å; H852-W854 HydrophobicContact CB-CZ2 3.68Å; H852-W854 HydrophobicContact CB-CZ3 3.42Å; H852-W854 VanDerWaalsContact CB-CZ3 3.42Å; H852-W854 AromaticContact CG-CH2 3.74Å; H852-W854 AromaticContact CG-CZ2 3.94Å; H852-W854 AromaticContact ND1-CH2 3.46Å; H852-W854 WeakPolarHBondContact ND1-CH2 3.38Å; H852-W854 AromaticContact ND1-CZ2 3.42Å; H852-W854 WeakPolarHBondContact ND1-CZ2 3.29Å; W854-E866 WeakPolarHBondContact CA-O 3.26Å; W854-L867 HydrophobicContact CD2-CD1 4.15Å; W854-L867 HydrophobicContact CG-CD1 4.45Å; W854-L867 HydrophobicContact CZ2-CD1 3.99Å |
| 855 | Q | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.2 | 168.2 | 173 | 55 | -80.2 | 0 | 0 | 109.9 | D839 G840 L841 L860 C863 Y864 G865 E866 L868 L910 | D839-Q855 PolarHBondContact O-OE1 3.49Å; G840-Q855 VanDerWaalsContact C-OE1 3.25Å; G840-Q855 PolarHBondContact O-OE1 2.78Å; G840-Q855 VanDerWaalsContact O-OE1 3.05Å; L841-Q855 HydrophobicContact CD2-CB 4.37Å; Q855-L860 HydrophobicContact CG-CD1 4.26Å; Q855-C863 HydrophobicContact CB-CB 3.89Å; Q855-C863 WeakPolarHBondContact CB-O 3.47Å; Q855-C863 HydrophobicContact CG-CB 3.86Å; Q855-Y864 CarbonylContact O-C 3.51Å; Q855-Y864 WeakPolarHBondContact O-CA 3.26Å; Q855-G865 PolarHBondContact O-N 2.85Å; Q855-E866 PolarHBondContact N-O 2.75Å; Q855-L868 HydrophobicContact CB-CD1 4.14Å; Q855-L868 HydrophobicContact CB-CD2 4.4Å; Q855-L868 HydrophobicContact CB-CG 4.5Å; Q855-L910 HydrophobicContact CB-CD2 4.27Å; Q855-L910 HydrophobicContact CG-CD2 4.18Å |
| 856 | C | 85.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | trans | -113.2 | 21.3 | -175.9 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | V786 L810 G840 P858 Y864 | V786-C856 HydrophobicContact CG1-CB 3.94Å; L810-C856 HydrophobicContact CD1-CB 4.48Å; G840-C856 WeakPolarHBondContact O-CA 3.33Å; G840-C856 WeakPolarHBondContact O-CB 3.47Å; G840-C856 PolarHBondContact O-N 2.93Å; C856-P858 WeakPolarHBondContact O-CD 3.41Å; C856-Y864 WeakPolarHBondContact O-CE2 3.47Å | ||
| 857 | R | 81.2 | Confident | 84.6 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 6% | 0.06 | 21% | 0.21 | C | C | . | . | trans | -82.1 | 115.1 | 170.4 | -118.1 | 175.5 | 106.3 | 155.4 | 8.2 | 112.5 | Y788 D839 D859 L860 Y864 | Y788-R857 HydrophobicContact CD1-CG 4.32Å; Y788-R857 HydrophobicContact CD2-CG 3.25Å; Y788-R857 HydrophobicContact CE2-CG 3.56Å; Y788-R857 HydrophobicContact CG-CG 3.71Å; D839-R857 WeakPolarHBondContact O-CD 3.31Å; R857-D859 VanDerWaalsContact C-N 3.31Å; R857-D859 VanDerWaalsContact CB-OD1 3.28Å; R857-D859 WeakPolarHBondContact CB-OD1 3.45Å; R857-D859 WeakPolarHBondContact CD-OD1 3.49Å; R857-D859 WeakPolarHBondContact CG-OD1 3.38Å; R857-D859 IonicContact CZ-OD1 2.7Å; R857-D859 IonicContact CZ-OD2 3.44Å; R857-D859 VanDerWaalsContact CZ-OD2 3.25Å; R857-D859 VanDerWaalsContact NE-CG 3.3Å; R857-D859 IonicContact NE-OD1 3.68Å; R857-D859 PolarHBondContact NE-OD1 2.77Å; R857-D859 IonicContact NE-OD2 2.64Å; R857-D859 PolarHBondContact NE-OD2 2.82Å; R857-D859 IonicContact NH2-OD2 3.36Å; R857-D859 PolarHBondContact NH2-OD2 2.88Å; R857-D859 PolarHBondContact O-N 2.79Å; R857-L860 HydrophobicContact CB-CB 4.05Å; R857-L860 HydrophobicContact CB-CD1 3.88Å; R857-L860 HydrophobicContact CB-CG 3.88Å; R857-L860 PolarHBondContact O-N 3.47Å; R857-L860 VanDerWaalsContact O-N 3.11Å; R857-Y864 VanDerWaalsContact C-CD2 3.47Å; R857-Y864 WeakPolarHBondContact O-CD2 3.27Å | ||
| 858 | P | 74.5 | Confident | 84.7 | Confident | 77 Ų | 77 | 38.2 Ų | 38.2 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.3 | -178.2 | -21.5 | 33.8 | 0 | 0 | 0 | 114.6 | C856 L860 Y864 | C856-P858 WeakPolarHBondContact O-CD 3.41Å; P858-L860 PolarHBondContact O-N 2.98Å; P858-Y864 HydrophobicContact CB-CE2 4.36Å; P858-Y864 HydrophobicContact CG-CE2 3.96Å |
| 859 | D | 76.5 | Confident | 84.9 | Confident | 57 Ų | 57 | 38 Ų | 38 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -7.9 | 174.8 | 68.4 | -47.2 | 0 | 0 | 0 | 113.2 | Y788 R857 P861 | Y788-D859 HydrophobicContact CE1-CB 4.14Å; Y788-D859 WeakPolarHBondContact OH-CB 3.44Å; Y788-D859 PolarHBondContact OH-OD1 3.37Å; Y788-D859 PolarHBondContact OH-OD2 3.48Å; R857-D859 VanDerWaalsContact C-N 3.31Å; R857-D859 VanDerWaalsContact CB-OD1 3.28Å; R857-D859 WeakPolarHBondContact CB-OD1 3.45Å; R857-D859 WeakPolarHBondContact CD-OD1 3.49Å; R857-D859 WeakPolarHBondContact CG-OD1 3.38Å; R857-D859 IonicContact CZ-OD1 2.7Å; R857-D859 IonicContact CZ-OD2 3.44Å; R857-D859 VanDerWaalsContact CZ-OD2 3.25Å; R857-D859 VanDerWaalsContact NE-CG 3.3Å; R857-D859 IonicContact NE-OD1 3.68Å; R857-D859 PolarHBondContact NE-OD1 2.77Å; R857-D859 IonicContact NE-OD2 2.64Å; R857-D859 PolarHBondContact NE-OD2 2.82Å; R857-D859 IonicContact NH2-OD2 3.36Å; R857-D859 PolarHBondContact NH2-OD2 2.88Å; R857-D859 PolarHBondContact O-N 2.79Å; D859-P861 WeakPolarHBondContact O-CD 3.17Å |
| 860 | L | 78.3 | Confident | 85.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -106.2 | 64.9 | 173 | -63.5 | -173.6 | 0 | 0 | 0 | 110.3 | Q855 R857 P858 C862 C863 Y864 C914 T917 | Q855-L860 HydrophobicContact CG-CD1 4.26Å; R857-L860 HydrophobicContact CB-CB 4.05Å; R857-L860 HydrophobicContact CB-CD1 3.88Å; R857-L860 HydrophobicContact CB-CG 3.88Å; R857-L860 PolarHBondContact O-N 3.47Å; R857-L860 VanDerWaalsContact O-N 3.11Å; P858-L860 PolarHBondContact O-N 2.98Å; L860-C862 PolarHBondContact O-N 2.76Å; L860-C863 PolarHBondContact O-N 2.97Å; L860-Y864 PolarHBondContact O-N 3.47Å; L860-Y864 VanDerWaalsContact O-N 3.1Å; L860-C914 HydrophobicContact CD1-CB 4.45Å; L860-C914 HydrophobicContact CD2-CB 4.3Å; L860-T917 HydrophobicContact CD2-CG2 3.71Å | ||
| 861 | P | 73.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 38.2 Ų | 38.2 | 71% | 0.708 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | -172.2 | 27.4 | -36.7 | 0 | 0 | 0 | 112.7 | D859 C863 | D859-P861 WeakPolarHBondContact O-CD 3.17Å; P861-C863 VanDerWaalsContact C-N 3.29Å; P861-C863 PolarHBondContact O-N 2.88Å |
| 862 | C | 77.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 43.4 Ų | 43.4 | 43% | 0.432 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -36 | 175.6 | 26.6 | 0 | 0 | 0 | 0 | 114 | L860 C914 | L860-C862 PolarHBondContact O-N 2.76Å; C862-C914 WeakPolarHBondContact CB-SG 3.3Å; C862-C914 WeakPolarHBondContact SG-CB 3.19Å; C862-C914 CovalentContact SG-SG 2.07Å; C862-C914 PolarHBondContact SG-SG 2.7Å |
| 863 | C | 77.8 | Confident | 83.8 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 4.8 | -172.8 | -61.8 | 0 | 0 | 0 | 0 | 112 | Q855 L860 P861 G865 E866 L868 C914 | Q855-C863 HydrophobicContact CB-CB 3.89Å; Q855-C863 WeakPolarHBondContact CB-O 3.47Å; Q855-C863 HydrophobicContact CG-CB 3.86Å; L860-C863 PolarHBondContact O-N 2.97Å; P861-C863 VanDerWaalsContact C-N 3.29Å; P861-C863 PolarHBondContact O-N 2.88Å; C863-G865 PolarHBondContact O-N 3.18Å; C863-G865 VanDerWaalsContact O-N 3.11Å; C863-E866 WeakPolarHBondContact O-CB 3.19Å; C863-E866 PolarHBondContact O-N 2.8Å; C863-L868 HydrophobicContact CB-CD2 4.46Å; C863-C914 PolarHBondContact SG-SG 2.82Å |
| 864 | Y | 82.7 | Confident | 82.8 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -67.5 | 110.2 | -172.5 | 178.9 | -107.8 | 0 | 0 | 0 | 113 | K821 Q855 C856 R857 P858 L860 E866 | K821-Y864 HydrophobicContact CD-CE1 4.42Å; K821-Y864 VanDerWaalsContact NZ-CE1 3.33Å; K821-Y864 PolarHBondContact NZ-O 2.79Å; Q855-Y864 CarbonylContact O-C 3.51Å; Q855-Y864 WeakPolarHBondContact O-CA 3.26Å; C856-Y864 WeakPolarHBondContact O-CE2 3.47Å; R857-Y864 VanDerWaalsContact C-CD2 3.47Å; R857-Y864 WeakPolarHBondContact O-CD2 3.27Å; P858-Y864 HydrophobicContact CB-CE2 4.36Å; P858-Y864 HydrophobicContact CG-CE2 3.96Å; L860-Y864 PolarHBondContact O-N 3.47Å; L860-Y864 VanDerWaalsContact O-N 3.1Å; Y864-E866 VanDerWaalsContact C-N 3.28Å |
| 865 | G | 80 | Confident | 82.1 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 4.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q855 C863 | Q855-G865 PolarHBondContact O-N 2.85Å; C863-G865 PolarHBondContact O-N 3.18Å; C863-G865 VanDerWaalsContact O-N 3.11Å |
| 866 | E | 83.3 | Confident | 81.4 | Confident | 120 Ų | 120 | 49.4 Ų | 49.4 | 56% | 0.561 | 28% | 0.282 | S | S | * | . | trans | -79.2 | 139.3 | 176.6 | -70.7 | -68.3 | 148.3 | 0 | 0 | 110.7 | W854 Q855 C863 Y864 L868 | W854-E866 WeakPolarHBondContact CA-O 3.26Å; Q855-E866 PolarHBondContact N-O 2.75Å; C863-E866 WeakPolarHBondContact O-CB 3.19Å; C863-E866 PolarHBondContact O-N 2.8Å; Y864-E866 VanDerWaalsContact C-N 3.28Å; E866-L868 PolarHBondContact O-N 3.43Å | ||
| 867 | L | 89.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 53.1 Ų | 53.1 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 118.1 | 172.1 | -179.1 | 78.9 | 0 | 0 | 0 | 108.8 | P825 H852 W854 I869 A870 | P825-L867 HydrophobicContact CG-CD2 3.95Å; H852-L867 HydrophobicContact CB-CD1 3.71Å; W854-L867 HydrophobicContact CD2-CD1 4.15Å; W854-L867 HydrophobicContact CG-CD1 4.45Å; W854-L867 HydrophobicContact CZ2-CD1 3.99Å; L867-I869 WeakPolarHBondContact CD1-O 2.97Å; L867-A870 HydrophobicContact CD2-CB 3.87Å |
| 868 | L | 89.1 | Confident | 81.7 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 20% | 0.199 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -43.5 | 177.7 | -51.2 | -176.1 | 0 | 0 | 0 | 111.5 | L841 I853 Q855 C863 E866 L909 L910 | L841-L868 HydrophobicContact CD2-CD1 3.8Å; I853-L868 HydrophobicContact CG2-CB 4.5Å; I853-L868 HydrophobicContact CG2-CD1 4.22Å; I853-L868 PolarHBondContact O-N 2.95Å; Q855-L868 HydrophobicContact CB-CD1 4.14Å; Q855-L868 HydrophobicContact CB-CD2 4.4Å; Q855-L868 HydrophobicContact CB-CG 4.5Å; C863-L868 HydrophobicContact CB-CD2 4.46Å; E866-L868 PolarHBondContact O-N 3.43Å; L868-L909 HydrophobicContact CD1-CB 4.08Å; L868-L910 HydrophobicContact CD1-CD2 3.91Å |
| 869 | I | 89.5 | Confident | 82.6 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 138.8 | -178.5 | -73.7 | -170.7 | 0 | 0 | 0 | 109.8 | H852 I853 L867 T871 L904 L909 | H852-I869 CarbonylContact C-O 3.58Å; H852-I869 VanDerWaalsContact CA-O 3.3Å; H852-I869 WeakPolarHBondContact CA-O 3.08Å; I853-I869 HydrophobicContact CB-CB 4.42Å; I853-I869 HydrophobicContact CD1-CB 4.35Å; I853-I869 HydrophobicContact CG1-CB 4.41Å; I853-I869 PolarHBondContact N-O 3.24Å; I853-I869 PolarHBondContact O-N 3.14Å; L867-I869 WeakPolarHBondContact CD1-O 2.97Å; I869-T871 HydrophobicContact CG2-CG2 4.18Å; I869-L904 HydrophobicContact CD1-CD1 3.92Å; I869-L904 HydrophobicContact CD1-CD2 4.04Å; I869-L909 HydrophobicContact CD1-CD2 3.18Å; I869-L909 HydrophobicContact CG1-CD2 3.64Å |
| 870 | A | 89.8 | Confident | 83.5 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L851 H852 L867 | L851-A870 WeakPolarHBondContact O-CA 3.48Å; H852-A870 WeakPolarHBondContact CD2-CB 3.48Å; L867-A870 HydrophobicContact CD2-CB 3.87Å |
| 871 | T | 86.9 | Confident | 84.4 | Confident | 60 Ų | 60 | 48.4 Ų | 48.4 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.7 | 179.8 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | R850 L851 I869 | R850-T871 WeakPolarHBondContact CA-O 3.36Å; R850-T871 WeakPolarHBondContact CG-O 3.31Å; L851-T871 HydrophobicContact CB-CG2 4.22Å; L851-T871 HydrophobicContact CD2-CG2 4.23Å; L851-T871 PolarHBondContact N-O 2.88Å; L851-T871 PolarHBondContact O-N 2.94Å; I869-T871 HydrophobicContact CG2-CG2 4.18Å |
| 872 | L | 83.5 | Confident | 85.3 | Confident | 110 Ų | 110 | 43.6 Ų | 43.6 | 58% | 0.576 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 143.1 | 167.1 | -71.3 | 166.3 | 0 | 0 | 0 | 109.7 | D849 | D849-L872 CarbonylContact O-C 3.48Å; D849-L872 WeakPolarHBondContact O-CA 2.99Å |
| 873 | L | 84.2 | Confident | 86.1 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -90.2 | 149.8 | 174.8 | -65.1 | 170.8 | 0 | 0 | 0 | 109.7 | I845 D849 L851 I875 P878 V894 I902 | I845-L873 HydrophobicContact CB-CD1 4.5Å; I845-L873 HydrophobicContact CG2-CD1 4.06Å; D849-L873 PolarHBondContact O-N 2.8Å; L851-L873 HydrophobicContact CB-CD1 4.4Å; L851-L873 HydrophobicContact CB-CD2 3.89Å; L851-L873 HydrophobicContact CB-CG 4.14Å; L851-L873 HydrophobicContact CD1-CD2 4.23Å; L873-I875 VanDerWaalsContact C-N 3.25Å; L873-I875 HydrophobicContact CB-CG1 4.14Å; L873-P878 HydrophobicContact CD1-CB 3.76Å; L873-P878 HydrophobicContact CD1-CG 4.02Å; L873-V894 HydrophobicContact CD1-CG1 4Å; L873-V894 HydrophobicContact CD2-CG2 4.14Å; L873-I902 HydrophobicContact CD2-CD1 3.73Å | ||
| 874 | D | 74.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 42.1 Ų | 42.1 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -91.3 | 13 | 174.6 | -66.5 | -44.1 | 0 | 0 | 0 | 111.9 | R570 Q900 | R570-D874 WeakPolarHBondContact CD-O 3.27Å; R570-D874 PolarHBondContact NE-O 3.07Å; R570-D874 VanDerWaalsContact NE-O 3.11Å; D874-Q900 PolarHBondContact OD2-NE2 2.82Å |
| 875 | I | 77.6 | Confident | 86.6 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -121.4 | 145.8 | 174.6 | 56 | 157.5 | 0 | 0 | 0 | 110 | L873 P878 V894 Q900 | L873-I875 VanDerWaalsContact C-N 3.25Å; L873-I875 HydrophobicContact CB-CG1 4.14Å; I875-P878 HydrophobicContact CD1-CB 4.35Å; I875-V894 HydrophobicContact CD1-CB 3.87Å; I875-V894 HydrophobicContact CD1-CG1 3.64Å; I875-V894 WeakPolarHBondContact CD1-O 3.37Å; I875-Q900 HydrophobicContact CD1-CB 4.47Å; I875-Q900 HydrophobicContact CG1-CB 4.17Å; I875-Q900 HydrophobicContact CG2-CB 3.86Å |
| 876 | S | 74.2 | Confident | 86.6 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -95.9 | 152.6 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | D849 Q897 | D849-S876 WeakPolarHBondContact OD1-CA 3.17Å; S876-Q897 WeakPolarHBondContact O-CB 3.25Å; S876-Q897 WeakPolarHBondContact O-CG 3.02Å; S876-Q897 PolarHBondContact O-N 3.14Å; S876-Q897 WeakPolarHBondContact OG-CB 3.42Å; S876-Q897 WeakPolarHBondContact OG-CG 3.5Å |
| 877 | D | 81 | Confident | 86.4 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 47.1 | 60.5 | -176.2 | -55.4 | -38.3 | 0 | 0 | 0 | 111.6 | D849 L879 G896 Q897 | D849-D877 PolarHBondContact OD1-N 3.41Å; D849-D877 VanDerWaalsContact OD1-N 3.16Å; D877-L879 WeakPolarHBondContact O-CG 3.21Å; D877-L879 PolarHBondContact O-N 3.23Å; D877-G896 WeakPolarHBondContact O-CA 3.36Å; D877-Q897 HydrophobicContact CB-CG 4.12Å; D877-Q897 PolarHBondContact OD2-NE2 2.89Å |
| 878 | P | 92 | Very high | 86.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -62.8 | 124 | 178.5 | 31.6 | -39.9 | 0 | 0 | 0 | 109.6 | T832 I845 S846 D849 L873 I875 V894 C895 | T832-P878 VanDerWaalsContact CB-O 3.25Å; T832-P878 WeakPolarHBondContact CB-O 3.36Å; T832-P878 WeakPolarHBondContact CG2-O 3.24Å; T832-P878 PolarHBondContact OG1-O 3.41Å; I845-P878 HydrophobicContact CD1-CB 4.1Å; S846-P878 WeakPolarHBondContact O-CG 3.32Å; D849-P878 WeakPolarHBondContact OD1-CD 3.2Å; L873-P878 HydrophobicContact CD1-CB 3.76Å; L873-P878 HydrophobicContact CD1-CG 4.02Å; I875-P878 HydrophobicContact CD1-CB 4.35Å; P878-V894 HydrophobicContact CB-CG1 3.9Å; P878-C895 WeakPolarHBondContact CA-O 3.32Å | ||
| 879 | L | 93.7 | Very high | 85.9 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | trans | -111.3 | -45.7 | -173.2 | -70.6 | -178.1 | 0 | 0 | 0 | 112.6 | R584 T832 D877 C895 | R584-L879 HydrophobicContact CG-CD1 3.71Å; T832-L879 CarbonylContact C-O 3.6Å; D877-L879 WeakPolarHBondContact O-CG 3.21Å; D877-L879 PolarHBondContact O-N 3.23Å; L879-C895 PolarHBondContact N-O 2.82Å | ||
| 880 | S | 96.3 | Very high | 85.9 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 160.2 | -177.4 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | D587 C895 | D587-S880 WeakPolarHBondContact OD1-CB 3.41Å; D587-S880 PolarHBondContact OD1-OG 2.66Å; S880-C895 PolarHBondContact N-O 3.01Å; S880-C895 PolarHBondContact O-N 3.02Å |
| 881 | L | 96.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 155.8 | 176.2 | 73.4 | 109.1 | 0 | 0 | 0 | 111 | S833 K835 V843 I845 V883 I893 V894 | S833-L881 PolarHBondContact OG-N 2.85Å; K835-L881 HydrophobicContact CB-CD1 3.7Å; K835-L881 HydrophobicContact CB-CG 4.48Å; K835-L881 WeakPolarHBondContact CE-O 3.34Å; K835-L881 HydrophobicContact CG-CD1 3.58Å; K835-L881 HydrophobicContact CG-CG 3.89Å; K835-L881 VanDerWaalsContact CG-O 3.3Å; K835-L881 WeakPolarHBondContact CG-O 3.07Å; V843-L881 HydrophobicContact CB-CD1 4.17Å; V843-L881 HydrophobicContact CG1-CD1 4.03Å; I845-L881 HydrophobicContact CB-CD2 4.22Å; I845-L881 HydrophobicContact CD1-CB 4.11Å; I845-L881 HydrophobicContact CD1-CD2 3.76Å; I845-L881 HydrophobicContact CD1-CG 4.47Å; I845-L881 HydrophobicContact CG1-CD2 3.64Å; I845-L881 HydrophobicContact CG2-CD2 3.83Å; L881-V883 HydrophobicContact CD1-CG1 3.57Å; L881-I893 CarbonylContact C-O 3.59Å; L881-I893 WeakPolarHBondContact CA-O 3.23Å; L881-I893 WeakPolarHBondContact CB-O 3.28Å; L881-V894 HydrophobicContact CB-CG2 4.2Å |
| 882 | C | 93.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 146.8 | 164.3 | 63.5 | 0 | 0 | 0 | 0 | 110.2 | V588 F590 I893 | V588-C882 HydrophobicContact CG1-CB 4.41Å; F590-C882 HydrophobicContact CD2-CB 3.65Å; F590-C882 VanDerWaalsContact CD2-SG 3.51Å; F590-C882 HydrophobicContact CE2-CB 3.83Å; F590-C882 WeakPolarHBondContact CE2-SG 3.28Å; C882-I893 PolarHBondContact N-O 2.94Å; C882-I893 PolarHBondContact O-N 3.23Å |
| 883 | V | 92.4 | Very high | 86.6 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 15% | 0.145 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.8 | 179.9 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | K835 T837 V843 L881 L890 D891 V892 | K835-V883 HydrophobicContact CB-CG1 4.45Å; K835-V883 HydrophobicContact CB-CG2 3.68Å; T837-V883 HydrophobicContact CG2-CB 4.23Å; T837-V883 HydrophobicContact CG2-CG2 3.82Å; V843-V883 HydrophobicContact CB-CG1 3.89Å; V843-V883 HydrophobicContact CG1-CG1 4.27Å; V843-V883 HydrophobicContact CG2-CG1 3.78Å; L881-V883 HydrophobicContact CD1-CG1 3.57Å; V883-L890 HydrophobicContact CB-CD1 4.23Å; V883-D891 VanDerWaalsContact CA-O 3.3Å; V883-D891 WeakPolarHBondContact CA-O 3.4Å; V883-V892 HydrophobicContact CG1-CB 4.47Å; V883-V892 HydrophobicContact CG1-CG1 4.14Å; V883-V892 HydrophobicContact CG1-CG2 4.11Å |
| 884 | A | 87.2 | Confident | 87 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 146.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | F590 M599 V886 D891 | F590-A884 HydrophobicContact CD2-CB 4.07Å; F590-A884 HydrophobicContact CE2-CB 3.71Å; F590-A884 HydrophobicContact CZ-CB 4.05Å; M599-A884 HydrophobicContact CE-CB 4.39Å; M599-A884 HydrophobicContact SD-CB 4Å; A884-V886 HydrophobicContact CB-CG2 4.32Å; A884-D891 PolarHBondContact N-O 3.41Å; A884-D891 PolarHBondContact O-N 3.42Å |
| 885 | V | 84.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 27.6 Ų | 27.6 | 29% | 0.285 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | T837 K889 L890 L906 | T837-V885 HydrophobicContact CG2-CG2 3.69Å; V885-K889 CarbonylContact C-O 3.55Å; V885-K889 VanDerWaalsContact CA-O 3.29Å; V885-K889 WeakPolarHBondContact CA-O 3.35Å; V885-L890 HydrophobicContact CG2-CD1 4.21Å; V885-L906 HydrophobicContact CG1-CD1 3.65Å |
| 886 | V | 79.2 | Confident | 88.4 | Confident | 53 Ų | 53 | 27.1 Ų | 27.1 | 32% | 0.321 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126.3 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | M599 A884 S888 K889 | M599-V886 HydrophobicContact SD-CG2 4.08Å; A884-V886 HydrophobicContact CB-CG2 4.32Å; V886-S888 VanDerWaalsContact C-N 3.35Å; V886-S888 PolarHBondContact O-N 2.78Å; V886-K889 PolarHBondContact N-O 3.39Å; V886-K889 WeakPolarHBondContact O-CB 3.44Å; V886-K889 PolarHBondContact O-N 3.35Å |
| 887 | D | 79.1 | Confident | 88.7 | Confident | 143 Ų | 143 | 29.8 Ų | 29.8 | 77% | 0.765 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 46 | 177 | -58.6 | -32.2 | 0 | 0 | 0 | 114.7 | K889 | D887-K889 PolarHBondContact O-N 2.93Š|
| 888 | S | 82.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 26.7 Ų | 26.7 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 22.7 | -176.1 | -51.9 | 0 | 0 | 0 | 0 | 114.9 | V886 L906 | V886-S888 VanDerWaalsContact C-N 3.35Å; V886-S888 PolarHBondContact O-N 2.78Å; S888-L906 VanDerWaalsContact O-CB 3.28Å; S888-L906 WeakPolarHBondContact O-CB 3.47Å; S888-L906 WeakPolarHBondContact O-CD1 3.33Å; S888-L906 WeakPolarHBondContact O-CG 3.46Å; S888-L906 PolarHBondContact O-N 3.06Å; S888-L906 VanDerWaalsContact O-N 3.11Å |
| 889 | K | 86.2 | Confident | 88.2 | Confident | 61 Ų | 61 | 28 Ų | 28 | 27% | 0.265 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.4 | 173.9 | -51.1 | -170.6 | -170.7 | -154.8 | 0 | 110.3 | V885 V886 D887 R903 L904 E905 | V885-K889 CarbonylContact C-O 3.55Å; V885-K889 VanDerWaalsContact CA-O 3.29Å; V885-K889 WeakPolarHBondContact CA-O 3.35Å; V886-K889 PolarHBondContact N-O 3.39Å; V886-K889 WeakPolarHBondContact O-CB 3.44Å; V886-K889 PolarHBondContact O-N 3.35Å; D887-K889 PolarHBondContact O-N 2.93Å; K889-R903 HydrophobicContact CB-CG 4.33Å; K889-R903 HydrophobicContact CD-CG 4.21Å; K889-L904 CarbonylContact C-O 3.56Å; K889-L904 WeakPolarHBondContact CA-O 3.22Å; K889-E905 WeakPolarHBondContact CD-OE1 3.38Å; K889-E905 WeakPolarHBondContact CE-OE1 3.48Å; K889-E905 WeakPolarHBondContact CE-OE2 3.49Å; K889-E905 WeakPolarHBondContact CG-OE2 3.44Å; K889-E905 IonicContact NZ-OE1 3.35Å; K889-E905 PolarHBondContact NZ-OE1 3.5Å; K889-E905 IonicContact NZ-OE2 2.74Å |
| 890 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.6 | 169.6 | 176.3 | 64.9 | 0 | 0 | 0 | 108.6 | T837 L841 V843 I853 V883 V885 V892 R903 L904 L906 L909 | T837-L890 HydrophobicContact CG2-CD1 3.79Å; L841-L890 HydrophobicContact CD1-CD2 4.4Å; V843-L890 HydrophobicContact CG2-CD2 4.24Å; I853-L890 HydrophobicContact CD1-CD2 3.81Å; I853-L890 HydrophobicContact CG2-CD2 4.5Å; V883-L890 HydrophobicContact CB-CD1 4.23Å; V885-L890 HydrophobicContact CG2-CD1 4.21Å; L890-V892 HydrophobicContact CD1-CG2 4.33Å; L890-V892 HydrophobicContact CD2-CG2 4.04Å; L890-V892 HydrophobicContact CG-CG2 3.81Å; L890-R903 WeakPolarHBondContact O-CA 3.4Å; L890-L904 HydrophobicContact CB-CB 4.4Å; L890-L904 HydrophobicContact CD2-CD1 4.4Å; L890-L904 PolarHBondContact N-O 3.42Å; L890-L904 PolarHBondContact O-N 3.38Å; L890-L906 HydrophobicContact CB-CD2 3.97Å; L890-L909 HydrophobicContact CB-CD1 4.47Å; L890-L909 HydrophobicContact CD2-CD1 4.1Å |
| 891 | D | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.3 | 172.5 | -73.4 | -31.9 | 0 | 0 | 0 | 109.1 | M599 V883 A884 Y901 R903 | M599-D891 HydrophobicContact CE-CB 3.57Å; M599-D891 WeakPolarHBondContact CE-OD2 3.44Å; V883-D891 VanDerWaalsContact CA-O 3.3Å; V883-D891 WeakPolarHBondContact CA-O 3.4Å; A884-D891 PolarHBondContact N-O 3.41Å; A884-D891 PolarHBondContact O-N 3.42Å; D891-Y901 HydrophobicContact CB-CE2 4.02Å; D891-Y901 VanDerWaalsContact CG-OH 3.28Å; D891-Y901 PolarHBondContact OD1-OH 3.01Å; D891-R903 WeakPolarHBondContact OD1-CB 3.38Å; D891-R903 WeakPolarHBondContact OD1-CG 3.49Å; D891-R903 IonicContact OD1-CZ 3.61Å; D891-R903 IonicContact OD1-NE 3.08Å; D891-R903 PolarHBondContact OD1-NE 2.74Å; D891-R903 IonicContact OD1-NH2 3.58Å; D891-R903 PolarHBondContact OD1-NH2 2.76Å; D891-R903 IonicContact OD2-CZ 2.94Å; D891-R903 IonicContact OD2-NE 2.82Å; D891-R903 IonicContact OD2-NH2 3.61Å; D891-R903 PolarHBondContact OD2-NH2 2.61Å |
| 892 | V | 92.2 | Very high | 87 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.1 | 177.9 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | V843 L851 V883 L890 V894 I902 | V843-V892 HydrophobicContact CG1-CG1 4.15Å; L851-V892 HydrophobicContact CD1-CG1 3.82Å; V883-V892 HydrophobicContact CG1-CB 4.47Å; V883-V892 HydrophobicContact CG1-CG1 4.14Å; V883-V892 HydrophobicContact CG1-CG2 4.11Å; L890-V892 HydrophobicContact CD1-CG2 4.33Å; L890-V892 HydrophobicContact CD2-CG2 4.04Å; L890-V892 HydrophobicContact CG-CG2 3.81Å; V892-V894 HydrophobicContact CG1-CG2 3.89Å; V892-I902 HydrophobicContact CB-CB 4.31Å; V892-I902 PolarHBondContact N-O 2.8Å; V892-I902 PolarHBondContact O-N 2.92Å |
| 893 | I | 92 | Very high | 86.7 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.7 | 172.1 | -61.3 | 165.6 | 0 | 0 | 0 | 107.3 | V588 F590 I601 I615 L881 C882 V899 Q900 Y901 | V588-I893 HydrophobicContact CG2-CG2 4.06Å; F590-I893 HydrophobicContact CE1-CD1 3.51Å; F590-I893 HydrophobicContact CE2-CD1 4.43Å; F590-I893 HydrophobicContact CZ-CD1 3.42Å; F590-I893 VanDerWaalsContact CZ-CD1 3.42Å; F590-I893 HydrophobicContact CZ-CG1 4.15Å; I601-I893 HydrophobicContact CD1-CD1 4.35Å; I601-I893 HydrophobicContact CG2-CD1 3.59Å; I615-I893 HydrophobicContact CD1-CD1 3.29Å; I615-I893 HydrophobicContact CD1-CG1 4.28Å; L881-I893 CarbonylContact C-O 3.59Å; L881-I893 WeakPolarHBondContact CA-O 3.23Å; L881-I893 WeakPolarHBondContact CB-O 3.28Å; C882-I893 PolarHBondContact N-O 2.94Å; C882-I893 PolarHBondContact O-N 3.23Å; I893-V899 HydrophobicContact CG2-CG1 3.76Å; I893-Q900 WeakPolarHBondContact CA-O 3.4Å; I893-Y901 HydrophobicContact CD1-CD2 4.37Å; I893-Y901 HydrophobicContact CG1-CD2 3.64Å; I893-Y901 HydrophobicContact CG1-CE2 4.24Å |
| 894 | V | 93.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.8 | 178.8 | -168.2 | 0 | 0 | 0 | 0 | 108.4 | I845 L851 L873 I875 P878 L881 V892 V899 Q900 | I845-V894 HydrophobicContact CD1-CG1 3.67Å; I845-V894 HydrophobicContact CG2-CG1 4.06Å; I845-V894 HydrophobicContact CG2-CG2 4.21Å; L851-V894 HydrophobicContact CD1-CG2 3.99Å; L873-V894 HydrophobicContact CD1-CG1 4Å; L873-V894 HydrophobicContact CD2-CG2 4.14Å; I875-V894 HydrophobicContact CD1-CB 3.87Å; I875-V894 HydrophobicContact CD1-CG1 3.64Å; I875-V894 WeakPolarHBondContact CD1-O 3.37Å; P878-V894 HydrophobicContact CB-CG1 3.9Å; L881-V894 HydrophobicContact CB-CG2 4.2Å; V892-V894 HydrophobicContact CG1-CG2 3.89Å; V894-V899 WeakPolarHBondContact O-CA 3.14Å; V894-Q900 PolarHBondContact N-O 2.71Å; V894-Q900 PolarHBondContact O-N 3.24Å |
| 895 | C | 92.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159.7 | 175.9 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | I585 V588 P878 L879 S880 G898 V899 | I585-C895 HydrophobicContact CB-CB 4.04Å; I585-C895 HydrophobicContact CG2-CB 3.67Å; V588-C895 HydrophobicContact CB-CB 4.3Å; V588-C895 HydrophobicContact CG1-CB 4.27Å; P878-C895 WeakPolarHBondContact CA-O 3.32Å; L879-C895 PolarHBondContact N-O 2.82Å; S880-C895 PolarHBondContact N-O 3.01Å; S880-C895 PolarHBondContact O-N 3.02Å; C895-G898 CarbonylContact C-O 3.6Å; C895-G898 VanDerWaalsContact CA-O 3.28Å; C895-G898 WeakPolarHBondContact CA-O 3.32Å; C895-V899 HydrophobicContact CB-CG2 4.4Å |
| 896 | G | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 178 | -122.1 | -176 | 0 | 0 | 0 | 0 | 0 | 109.3 | I585 D877 G898 | I585-G896 WeakPolarHBondContact CB-O 3.48Å; I585-G896 PolarHBondContact N-O 3.28Å; D877-G896 WeakPolarHBondContact O-CA 3.36Å; G896-G898 PolarHBondContact N-O 3.48Å; G896-G898 PolarHBondContact O-N 3.11Å |
| 897 | Q | 80 | Confident | 86.6 | Confident | 76 Ų | 76 | 39.3 Ų | 39.3 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -69.2 | -5.9 | 167.3 | -60.1 | -64 | -10.3 | 0 | 0 | 113.6 | S876 D877 | S876-Q897 WeakPolarHBondContact O-CB 3.25Å; S876-Q897 WeakPolarHBondContact O-CG 3.02Å; S876-Q897 PolarHBondContact O-N 3.14Å; S876-Q897 WeakPolarHBondContact OG-CB 3.42Å; S876-Q897 WeakPolarHBondContact OG-CG 3.5Å; D877-Q897 HydrophobicContact CB-CG 4.12Å; D877-Q897 PolarHBondContact OD2-NE2 2.89Å |
| 898 | G | 80 | Confident | 86.7 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -159.4 | -163.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C895 G896 | C895-G898 CarbonylContact C-O 3.6Å; C895-G898 VanDerWaalsContact CA-O 3.28Å; C895-G898 WeakPolarHBondContact CA-O 3.32Å; G896-G898 PolarHBondContact N-O 3.48Å; G896-G898 PolarHBondContact O-N 3.11Å |
| 899 | V | 83.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 37 Ų | 37 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | I585 I893 V894 C895 | I585-V899 HydrophobicContact CD1-CG2 3.4Å; I893-V899 HydrophobicContact CG2-CG1 3.76Å; V894-V899 WeakPolarHBondContact O-CA 3.14Å; C895-V899 HydrophobicContact CB-CG2 4.4Å |
| 900 | Q | 85.2 | Confident | 86.5 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 137.1 | 170 | -169.4 | 175.7 | 10.1 | 0 | 0 | 109.6 | D874 I875 I893 V894 I902 | D874-Q900 PolarHBondContact OD2-NE2 2.82Å; I875-Q900 HydrophobicContact CD1-CB 4.47Å; I875-Q900 HydrophobicContact CG1-CB 4.17Å; I875-Q900 HydrophobicContact CG2-CB 3.86Å; I893-Q900 WeakPolarHBondContact CA-O 3.4Å; V894-Q900 PolarHBondContact N-O 2.71Å; V894-Q900 PolarHBondContact O-N 3.24Å; Q900-I902 HydrophobicContact CG-CD1 4.48Å; Q900-I902 HydrophobicContact CG-CG1 4.04Å |
| 901 | Y | 86.4 | Confident | 86.1 | Confident | 80 Ų | 80 | 37 Ų | 37 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.3 | 173.4 | 174.9 | -120.4 | 0 | 0 | 0 | 109.6 | I615 D891 I893 R903 | I615-Y901 HydrophobicContact CG2-CE1 4.35Å; D891-Y901 HydrophobicContact CB-CE2 4.02Å; D891-Y901 VanDerWaalsContact CG-OH 3.28Å; D891-Y901 PolarHBondContact OD1-OH 3.01Å; I893-Y901 HydrophobicContact CD1-CD2 4.37Å; I893-Y901 HydrophobicContact CG1-CD2 3.64Å; I893-Y901 HydrophobicContact CG1-CE2 4.24Å; Y901-R903 HydrophobicContact CE1-CB 4.27Å; Y901-R903 PolarHBondContact OH-NE 3.1Å; Y901-R903 PolarHBondContact OH-NH2 2.83Å |
| 902 | I | 87.7 | Confident | 85.6 | Confident | 28 Ų | 28 | 43 Ų | 43 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.2 | -178.7 | -53.2 | 173.3 | 0 | 0 | 0 | 107.4 | L851 L873 V892 Q900 L904 | L851-I902 HydrophobicContact CD1-CD1 4.37Å; L873-I902 HydrophobicContact CD2-CD1 3.73Å; V892-I902 HydrophobicContact CB-CB 4.31Å; V892-I902 PolarHBondContact N-O 2.8Å; V892-I902 PolarHBondContact O-N 2.92Å; Q900-I902 HydrophobicContact CG-CD1 4.48Å; Q900-I902 HydrophobicContact CG-CG1 4.04Å; I902-L904 HydrophobicContact CG2-CD1 4.31Å; I902-L904 HydrophobicContact CG2-CD2 4.19Å; I902-L904 HydrophobicContact CG2-CG 4Å |
| 903 | R | 87.4 | Confident | 85 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.9 | 176.2 | 174.4 | 169.8 | -81.6 | -174.4 | -11.3 | 109.2 | K889 L890 D891 Y901 | K889-R903 HydrophobicContact CB-CG 4.33Å; K889-R903 HydrophobicContact CD-CG 4.21Å; L890-R903 WeakPolarHBondContact O-CA 3.4Å; D891-R903 WeakPolarHBondContact OD1-CB 3.38Å; D891-R903 WeakPolarHBondContact OD1-CG 3.49Å; D891-R903 IonicContact OD1-CZ 3.61Å; D891-R903 IonicContact OD1-NE 3.08Å; D891-R903 PolarHBondContact OD1-NE 2.74Å; D891-R903 IonicContact OD1-NH2 3.58Å; D891-R903 PolarHBondContact OD1-NH2 2.76Å; D891-R903 IonicContact OD2-CZ 2.94Å; D891-R903 IonicContact OD2-NE 2.82Å; D891-R903 IonicContact OD2-NH2 3.61Å; D891-R903 PolarHBondContact OD2-NH2 2.61Å; Y901-R903 HydrophobicContact CE1-CB 4.27Å; Y901-R903 PolarHBondContact OH-NE 3.1Å; Y901-R903 PolarHBondContact OH-NH2 2.83Å |
| 904 | L | 89.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134 | -176.6 | -61.4 | 167.8 | 0 | 0 | 0 | 110.3 | I853 I869 K889 L890 I902 L909 | I853-L904 HydrophobicContact CD1-CD1 3.47Å; I853-L904 VanDerWaalsContact CD1-CD1 3.47Å; I869-L904 HydrophobicContact CD1-CD1 3.92Å; I869-L904 HydrophobicContact CD1-CD2 4.04Å; K889-L904 CarbonylContact C-O 3.56Å; K889-L904 WeakPolarHBondContact CA-O 3.22Å; L890-L904 HydrophobicContact CB-CB 4.4Å; L890-L904 HydrophobicContact CD2-CD1 4.4Å; L890-L904 PolarHBondContact N-O 3.42Å; L890-L904 PolarHBondContact O-N 3.38Å; I902-L904 HydrophobicContact CG2-CD1 4.31Å; I902-L904 HydrophobicContact CG2-CD2 4.19Å; I902-L904 HydrophobicContact CG2-CG 4Å; L904-L909 HydrophobicContact CB-CD1 4.09Å; L904-L909 HydrophobicContact CD1-CD1 4.39Å; L904-L909 HydrophobicContact CD1-CD2 4.32Å |
| 905 | E | 87.7 | Confident | 83.9 | Confident | 69 Ų | 69 | 55 Ų | 55 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.4 | 173.9 | -60.3 | -73 | 166.8 | 0 | 0 | 109.8 | K889 N907 N908 | K889-E905 WeakPolarHBondContact CD-OE1 3.38Å; K889-E905 WeakPolarHBondContact CE-OE1 3.48Å; K889-E905 WeakPolarHBondContact CE-OE2 3.49Å; K889-E905 WeakPolarHBondContact CG-OE2 3.44Å; K889-E905 IonicContact NZ-OE1 3.35Å; K889-E905 PolarHBondContact NZ-OE1 3.5Å; K889-E905 IonicContact NZ-OE2 2.74Å; E905-N907 WeakPolarHBondContact CB-OD1 3.48Å; E905-N907 PolarHBondContact O-N 3.12Å; E905-N908 PolarHBondContact O-N 3.15Å; E905-N908 VanDerWaalsContact O-N 3.09Å |
| 906 | L | 83.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -27.3 | -174.2 | -68.8 | 171.3 | 0 | 0 | 0 | 113.2 | L841 V885 S888 L890 N908 L909 L910 F915 M918 | L841-L906 HydrophobicContact CD1-CD2 3.41Å; L841-L906 VanDerWaalsContact CD1-CD2 3.41Å; V885-L906 HydrophobicContact CG1-CD1 3.65Å; S888-L906 VanDerWaalsContact O-CB 3.28Å; S888-L906 WeakPolarHBondContact O-CB 3.47Å; S888-L906 WeakPolarHBondContact O-CD1 3.33Å; S888-L906 WeakPolarHBondContact O-CG 3.46Å; S888-L906 PolarHBondContact O-N 3.06Å; S888-L906 VanDerWaalsContact O-N 3.11Å; L890-L906 HydrophobicContact CB-CD2 3.97Å; L906-N908 PolarHBondContact O-N 2.61Å; L906-L909 HydrophobicContact CD2-CD1 4.11Å; L906-L909 PolarHBondContact O-N 3.25Å; L906-L910 PolarHBondContact O-N 3.01Å; L906-L910 VanDerWaalsContact O-N 3.12Å; L906-F915 HydrophobicContact CB-CD2 4.17Å; L906-F915 HydrophobicContact CB-CE2 3.95Å; L906-M918 HydrophobicContact CB-CE 4.08Å; L906-M918 HydrophobicContact CD1-CE 3.18Å; L906-M918 HydrophobicContact CD2-CE 3.95Å; L906-M918 HydrophobicContact CG-CE 3.9Å |
| 907 | N | 81 | Confident | 82.7 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.1 | -22.9 | 175.8 | 64.1 | -6.5 | 0 | 0 | 0 | 113.4 | E905 F915 | E905-N907 WeakPolarHBondContact CB-OD1 3.48Å; E905-N907 PolarHBondContact O-N 3.12Å; N907-F915 HydrophobicContact CB-CD1 4.48Å; N907-F915 HydrophobicContact CB-CD2 4.07Å; N907-F915 HydrophobicContact CB-CE1 4.2Å; N907-F915 HydrophobicContact CB-CE2 3.75Å; N907-F915 HydrophobicContact CB-CG 4.43Å; N907-F915 HydrophobicContact CB-CZ 3.82Å |
| 908 | N | 81.6 | Confident | 82.4 | Confident | 134 Ų | 134 | 62.1 Ų | 62.1 | 72% | 0.717 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -87.6 | -17.9 | 176.4 | -68.2 | -23.2 | 0 | 0 | 0 | 112 | E905 L906 | E905-N908 PolarHBondContact O-N 3.15Å; E905-N908 VanDerWaalsContact O-N 3.09Å; L906-N908 PolarHBondContact O-N 2.61Å |
| 909 | L | 81.7 | Confident | 81.9 | Confident | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -90.8 | -40 | -179 | -61.4 | -178.3 | 0 | 0 | 0 | 112.3 | L868 I869 L890 L904 L906 | L868-L909 HydrophobicContact CD1-CB 4.08Å; I869-L909 HydrophobicContact CD1-CD2 3.18Å; I869-L909 HydrophobicContact CG1-CD2 3.64Å; L890-L909 HydrophobicContact CB-CD1 4.47Å; L890-L909 HydrophobicContact CD2-CD1 4.1Å; L904-L909 HydrophobicContact CB-CD1 4.09Å; L904-L909 HydrophobicContact CD1-CD1 4.39Å; L904-L909 HydrophobicContact CD1-CD2 4.32Å; L906-L909 HydrophobicContact CD2-CD1 4.11Å; L906-L909 PolarHBondContact O-N 3.25Å |
| 910 | L | 81.5 | Confident | 80.9 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -105.6 | 147.4 | -171 | -62.9 | 172.4 | 0 | 0 | 0 | 111.3 | L841 Q855 L868 L906 C914 F915 M918 | L841-L910 HydrophobicContact CD2-CD2 4.33Å; Q855-L910 HydrophobicContact CB-CD2 4.27Å; Q855-L910 HydrophobicContact CG-CD2 4.18Å; L868-L910 HydrophobicContact CD1-CD2 3.91Å; L906-L910 PolarHBondContact O-N 3.01Å; L906-L910 VanDerWaalsContact O-N 3.12Å; L910-C914 HydrophobicContact CB-CB 4.37Å; L910-F915 HydrophobicContact CB-CB 4.04Å; L910-M918 HydrophobicContact CD1-CB 4.41Å; L910-M918 HydrophobicContact CD1-CE 3.89Å; L910-M918 HydrophobicContact CD1-SD 3.45Å; L910-M918 WeakPolarHBondContact CD1-SD 3.19Å |
| 911 | C | 81.5 | Confident | 79.2 | Confident | 54 Ų | 54 | 73 Ų | 73 | 37% | 0.365 | 36% | 0.364 | S | S | . | . | trans | -64 | 153.2 | 170.6 | 83.7 | 0 | 0 | 0 | 0 | 110.5 | R913 C914 F915 | C911-R913 PolarHBondContact O-N 3.13Å; C911-C914 PolarHBondContact O-N 3.5Å; C911-F915 PolarHBondContact O-N 3.07Å | ||
| 912 | N | 78.5 | Confident | 77.3 | Confident | 126 Ų | 126 | 80.2 Ų | 80.2 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -51.6 | -33.9 | -175.4 | -82.8 | -31.2 | 0 | 0 | 0 | 114.6 | K916 | N912-K916 WeakPolarHBondContact O-CB 3.39Å; N912-K916 VanDerWaalsContact O-CG 3.28Å; N912-K916 WeakPolarHBondContact O-CG 3.4Å; N912-K916 PolarHBondContact O-N 3.04Å |
| 913 | R | 80.7 | Confident | 76.8 | Confident | 208 Ų | 208 | 82.8 Ų | 82.8 | 79% | 0.785 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -69.8 | -52.6 | 176.5 | -66.7 | -177 | -177 | 178.3 | 1 | 111 | C911 F915 K916 T917 | C911-R913 PolarHBondContact O-N 3.13Å; R913-F915 PolarHBondContact O-N 2.89Å; R913-K916 PolarHBondContact O-N 2.97Å; R913-T917 PolarHBondContact O-N 3.32Å; R913-T917 VanDerWaalsContact O-N 3.12Å; R913-T917 PolarHBondContact O-OG1 2.88Å; R913-T917 VanDerWaalsContact O-OG1 3.13Å |
| 914 | C | 80.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | -179.9 | -86.5 | 0 | 0 | 0 | 0 | 111.5 | L860 C862 C863 L910 C911 T917 M918 | L860-C914 HydrophobicContact CD1-CB 4.45Å; L860-C914 HydrophobicContact CD2-CB 4.3Å; C862-C914 WeakPolarHBondContact CB-SG 3.3Å; C862-C914 WeakPolarHBondContact SG-CB 3.19Å; C862-C914 CovalentContact SG-SG 2.07Å; C862-C914 PolarHBondContact SG-SG 2.7Å; C863-C914 PolarHBondContact SG-SG 2.82Å; L910-C914 HydrophobicContact CB-CB 4.37Å; C911-C914 PolarHBondContact O-N 3.5Å; C914-T917 PolarHBondContact O-N 2.93Å; C914-M918 PolarHBondContact O-N 3.07Å |
| 915 | F | 81.5 | Confident | 75.5 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 174.6 | 177.9 | -103.6 | 0 | 0 | 0 | 112.4 | L906 N907 L910 C911 R913 T917 M918 C919 | L906-F915 HydrophobicContact CB-CD2 4.17Å; L906-F915 HydrophobicContact CB-CE2 3.95Å; N907-F915 HydrophobicContact CB-CD1 4.48Å; N907-F915 HydrophobicContact CB-CD2 4.07Å; N907-F915 HydrophobicContact CB-CE1 4.2Å; N907-F915 HydrophobicContact CB-CE2 3.75Å; N907-F915 HydrophobicContact CB-CG 4.43Å; N907-F915 HydrophobicContact CB-CZ 3.82Å; L910-F915 HydrophobicContact CB-CB 4.04Å; C911-F915 PolarHBondContact O-N 3.07Å; R913-F915 PolarHBondContact O-N 2.89Å; F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 2.98Å; F915-M918 PolarHBondContact O-N 2.79Å; F915-M918 VanDerWaalsContact O-N 3.15Å; F915-C919 WeakPolarHBondContact CE2-SG 3.43Å; F915-C919 WeakPolarHBondContact CZ-SG 3.15Å; F915-C919 PolarHBondContact O-N 2.83Å; F915-C919 PolarHBondContact O-SG 3.29Å |
| 916 | K | 79.1 | Confident | 74.8 | Confident | 147 Ų | 147 | 84.1 Ų | 84.1 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 177.8 | -79.2 | -179.9 | -180 | -172.9 | 0 | 111.7 | N912 R913 M918 C919 L920 | N912-K916 WeakPolarHBondContact O-CB 3.39Å; N912-K916 VanDerWaalsContact O-CG 3.28Å; N912-K916 WeakPolarHBondContact O-CG 3.4Å; N912-K916 PolarHBondContact O-N 3.04Å; R913-K916 PolarHBondContact O-N 2.97Å; K916-M918 VanDerWaalsContact C-N 3.28Å; K916-M918 PolarHBondContact O-N 2.85Å; K916-C919 PolarHBondContact O-N 3.4Å; K916-L920 WeakPolarHBondContact O-CG 3.38Å; K916-L920 PolarHBondContact O-N 2.91Å; K916-L920 VanDerWaalsContact O-N 3.14Å |
| 917 | T | 76.9 | Confident | 74.2 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 37% | 0.368 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.9 | -36 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | L860 R913 C914 F915 | L860-T917 HydrophobicContact CD2-CG2 3.71Å; R913-T917 PolarHBondContact O-N 3.32Å; R913-T917 VanDerWaalsContact O-N 3.12Å; R913-T917 PolarHBondContact O-OG1 2.88Å; R913-T917 VanDerWaalsContact O-OG1 3.13Å; C914-T917 PolarHBondContact O-N 2.93Å; F915-T917 VanDerWaalsContact C-N 3.33Å; F915-T917 PolarHBondContact O-N 2.98Å |
| 918 | M | 73.5 | Confident | 73.8 | Confident | 19 Ų | 19 | 89.9 Ų | 89.9 | 9% | 0.094 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -72.9 | -35 | 179.2 | -156 | 179.1 | 86 | 0 | 0 | 113 | D839 L906 L910 C914 F915 K916 | D839-M918 HydrophobicContact CB-CG 4.01Å; D839-M918 HydrophobicContact CB-SD 3.76Å; L906-M918 HydrophobicContact CB-CE 4.08Å; L906-M918 HydrophobicContact CD1-CE 3.18Å; L906-M918 HydrophobicContact CD2-CE 3.95Å; L906-M918 HydrophobicContact CG-CE 3.9Å; L910-M918 HydrophobicContact CD1-CB 4.41Å; L910-M918 HydrophobicContact CD1-CE 3.89Å; L910-M918 HydrophobicContact CD1-SD 3.45Å; L910-M918 WeakPolarHBondContact CD1-SD 3.19Å; C914-M918 PolarHBondContact O-N 3.07Å; F915-M918 PolarHBondContact O-N 2.79Å; F915-M918 VanDerWaalsContact O-N 3.15Å; K916-M918 VanDerWaalsContact C-N 3.28Å; K916-M918 PolarHBondContact O-N 2.85Å |
| 919 | C | 70.1 | Confident | 73.2 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 39% | 0.385 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -86.8 | -4.2 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 114.2 | F915 K916 | F915-C919 WeakPolarHBondContact CE2-SG 3.43Å; F915-C919 WeakPolarHBondContact CZ-SG 3.15Å; F915-C919 PolarHBondContact O-N 2.83Å; F915-C919 PolarHBondContact O-SG 3.29Å; K916-C919 PolarHBondContact O-N 3.4Å |
| 920 | L | 62.7 | Low | 72.6 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -66.1 | 134.4 | 170.1 | -78.6 | 167.8 | 0 | 0 | 0 | 108.8 | K916 R922 | K916-L920 WeakPolarHBondContact O-CG 3.38Å; K916-L920 PolarHBondContact O-N 2.91Å; K916-L920 VanDerWaalsContact O-N 3.14Å; L920-R922 PolarHBondContact O-N 2.88Å |
| 921 | P | 50.9 | Low | 71.8 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 80% | 0.799 | 48% | 0.484 | S | S | * | . | trans | -58.2 | 131.4 | 175.3 | -12.3 | 23.7 | 0 | 0 | 0 | 109.5 | ||||
| 922 | R | 46 | Very low | 70.9 | Confident | 232 Ų | 232 | 103.3 Ų | 103.3 | 88% | 0.875 | 49% | 0.494 | S | S | * | . | trans | -86.6 | 0 | 158.6 | -92.1 | -170.8 | 173.2 | -173.7 | -3.8 | 109.7 | Y788 L920 | Y788-R922 VanDerWaalsContact CZ-NH2 3.25Å; Y788-R922 PolarHBondContact OH-NH2 3.25Å; L920-R922 PolarHBondContact O-N 2.88Å |
Retrieved 922 of 922 residues in 547.4 ms
(Link to these results)