| 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 | 33.4 | Very low | 27 | Very low | 239 Ų | 239 | 125.3 Ų | 125.3 | 100% | 1.177 | 81% | 0.806 | S | S | * | * | 0 | 102 | 0 | -77.4 | -177.5 | -170.2 | 0 | 0 | 108.2 | |||||
| 2 | T | 21.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -168.8 | 102.6 | 156.4 | 21.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 3 | T | 26.9 | Very low | 29.2 | Very low | 134 Ų | 134 | 125 Ų | 125 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -66.1 | 127.9 | 172 | 42.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | N | 23.4 | Very low | 31 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -156.2 | 78.7 | 159.2 | -93.2 | -20.8 | 0 | 0 | 0 | 109.3 | ||||
| 5 | G | 23.9 | Very low | 33.4 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | trans | -112.2 | 62.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | A7 | G5-A7 PolarHBondContact O-N 2.58Š| ||
| 6 | S | 22.4 | Very low | 36.2 | Very low | 84 Ų | 84 | 114.9 Ų | 114.9 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | trans | -70.1 | 111 | 167.5 | 36.2 | 0 | 0 | 0 | 0 | 107.2 | N8 | S6-N8 PolarHBondContact O-N 3.41Š| ||
| 7 | A | 28.2 | Very low | 39.2 | Very low | 100 Ų | 100 | 112.7 Ų | 112.7 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 84.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | G5 G9 | G5-A7 PolarHBondContact O-N 2.58Å; A7-G9 PolarHBondContact O-N 2.99Å | ||
| 8 | N | 26.8 | Very low | 42 | Very low | 160 Ų | 160 | 106.4 Ų | 106.4 | 86% | 0.856 | 64% | 0.641 | S | S | * | * | trans | -86.7 | 90 | 166.6 | -91.3 | -0.8 | 0 | 0 | 0 | 108.2 | S6 | S6-N8 PolarHBondContact O-N 3.41Š| ||
| 9 | G | 26 | Very low | 44.8 | Very low | 57 Ų | 57 | 100.8 Ų | 100.8 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -171.8 | 111.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | A7 S11 | A7-G9 PolarHBondContact O-N 2.99Å; G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 3.34Å |
| 10 | T | 29.5 | Very low | 47.3 | Very low | 134 Ų | 134 | 95.8 Ų | 95.8 | 82% | 0.822 | 58% | 0.577 | S | S | * | * | trans | -49.4 | 91.6 | 172.8 | 42.7 | 0 | 0 | 0 | 0 | 109.5 | D12 | T10-D12 PolarHBondContact O-N 3.48Š| ||
| 11 | S | 35 | Very low | 49.6 | Very low | 85 Ų | 85 | 91.3 Ų | 91.3 | 59% | 0.594 | 55% | 0.55 | S | S | * | * | trans | -67.9 | 85 | 155.7 | 148 | 0 | 0 | 0 | 0 | 104.1 | G9 M13 | G9-S11 VanDerWaalsContact C-N 3.26Å; G9-S11 PolarHBondContact O-N 3.34Å; S11-M13 PolarHBondContact O-N 3.39Å | ||
| 12 | D | 38.2 | Very low | 52.6 | Low | 138 Ų | 138 | 80.1 Ų | 80.1 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | trans | -52.7 | 99.3 | 151.7 | -86 | -19.4 | 0 | 0 | 0 | 104.2 | T10 L14 | T10-D12 PolarHBondContact O-N 3.48Å; D12-L14 PolarHBondContact O-N 3.23Å | ||
| 13 | M | 45 | Very low | 56 | Low | 109 Ų | 109 | 75.8 Ų | 75.8 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | trans | -55.4 | 113.9 | 174.2 | -77.9 | 178 | 101.5 | 0 | 0 | 105.1 | S11 Q15 S221 | S11-M13 PolarHBondContact O-N 3.39Å; M13-Q15 PolarHBondContact O-N 2.98Å; M13-S221 VanDerWaalsContact CE-O 3.27Å; M13-S221 WeakPolarHBondContact CE-O 3.11Å | ||
| 14 | L | 53.5 | Low | 59.2 | Low | 73 Ų | 73 | 71.4 Ų | 71.4 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | trans | -51.2 | 114.2 | -179.8 | -102.1 | 124.8 | 0 | 0 | 0 | 108.1 | D12 I16 M142 | D12-L14 PolarHBondContact O-N 3.23Å; L14-I16 PolarHBondContact O-N 3.05Å; L14-I16 VanDerWaalsContact O-N 3.07Å; L14-M142 HydrophobicContact CD2-CB 4.38Å; L14-M142 HydrophobicContact CD2-CE 4.16Å; L14-M142 HydrophobicContact CD2-SD 4.36Å | ||
| 15 | Q | 67.7 | Low | 62.4 | Low | 125 Ų | 125 | 68.7 Ų | 68.7 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | trans | -60.7 | 114 | 163.4 | -84.8 | -170.7 | -25.8 | 0 | 0 | 106.5 | M13 Q17 T51 | M13-Q15 PolarHBondContact O-N 2.98Å; Q15-Q17 PolarHBondContact O-N 3.18Å; Q15-T51 HydrophobicContact CB-CG2 3.97Å; Q15-T51 HydrophobicContact CG-CG2 4.25Å | ||
| 16 | I | 77.3 | Confident | 65.8 | Low | 16 Ų | 16 | 66.9 Ų | 66.9 | 8% | 0.082 | 41% | 0.405 | C | S | . | . | trans | -72.4 | 105.9 | -176.7 | -64.5 | 155.1 | 0 | 0 | 0 | 107.4 | L14 F18 T51 L52 M142 F219 | L14-I16 PolarHBondContact O-N 3.05Å; L14-I16 VanDerWaalsContact O-N 3.07Å; I16-F18 HydrophobicContact CG2-CD1 4.15Å; I16-T51 WeakPolarHBondContact O-CA 3.45Å; I16-L52 PolarHBondContact O-N 3.03Å; I16-M142 HydrophobicContact CG1-CE 4.3Å; I16-M142 HydrophobicContact CG2-CE 4.38Å; I16-F219 HydrophobicContact CD1-CB 4.03Å; I16-F219 HydrophobicContact CD1-CD1 3.36Å; I16-F219 HydrophobicContact CD1-CD2 4.27Å; I16-F219 HydrophobicContact CD1-CE1 3.82Å; I16-F219 HydrophobicContact CD1-CG 3.63Å; I16-F219 HydrophobicContact CD1-CZ 4.46Å; I16-F219 HydrophobicContact CG1-CD1 4.31Å; I16-F219 HydrophobicContact CG1-CE1 4.29Å; I16-F219 HydrophobicContact CG2-CD1 4.45Å; I16-F219 HydrophobicContact CG2-CD2 4.12Å; I16-F219 HydrophobicContact CG2-CE1 4Å; I16-F219 HydrophobicContact CG2-CE2 3.65Å; I16-F219 HydrophobicContact CG2-CZ 3.58Å | ||
| 17 | Q | 87 | Confident | 69.3 | Low | 77 Ų | 77 | 63.3 Ų | 63.3 | 36% | 0.36 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 135.2 | 171.1 | -68 | -176.3 | -11.6 | 0 | 0 | 109.6 | Q15 I49 W50 A141 | Q15-Q17 PolarHBondContact O-N 3.18Å; Q17-I49 HydrophobicContact CB-CG2 3.94Å; Q17-I49 HydrophobicContact CG-CG2 4.17Å; Q17-W50 CarbonylContact C-O 3.56Å; Q17-W50 VanDerWaalsContact CA-O 3.29Å; Q17-W50 WeakPolarHBondContact CA-O 3.28Å; Q17-A141 HydrophobicContact CB-CB 3.99Å; Q17-A141 PolarHBondContact O-N 3.39Å |
| 18 | F | 91.2 | Very high | 72.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 160.8 | -176.9 | 62.8 | -74.8 | 0 | 0 | 0 | 111.3 | I16 L20 W50 L52 L66 W105 V138 H139 | I16-F18 HydrophobicContact CG2-CD1 4.15Å; F18-L20 HydrophobicContact CD2-CD2 4.02Å; F18-L20 HydrophobicContact CD2-CG 4.01Å; F18-L20 HydrophobicContact CE2-CD1 4.06Å; F18-L20 HydrophobicContact CE2-CD2 3.77Å; F18-L20 HydrophobicContact CE2-CG 3.67Å; F18-W50 WeakPolarHBondContact CD1-O 3.36Å; F18-W50 HydrophobicContact CE1-CB 4.27Å; F18-W50 HydrophobicContact CE2-CB 4.37Å; F18-W50 HydrophobicContact CZ-CB 4.11Å; F18-W50 PolarHBondContact N-O 3.2Å; F18-W50 PolarHBondContact O-N 2.76Å; F18-L52 HydrophobicContact CE1-CB 3.63Å; F18-L52 HydrophobicContact CE1-CD1 4.32Å; F18-L52 HydrophobicContact CE1-CG 4.49Å; F18-L52 HydrophobicContact CZ-CB 4.24Å; F18-L52 HydrophobicContact CZ-CD1 4.08Å; F18-L66 HydrophobicContact CE2-CD2 4.41Å; F18-L66 HydrophobicContact CZ-CD2 4.15Å; F18-L66 HydrophobicContact CZ-CG 4.25Å; F18-W105 HydrophobicContact CE2-CZ3 4.17Å; F18-V138 HydrophobicContact CB-CG1 4.02Å; F18-V138 HydrophobicContact CD2-CG1 3.97Å; F18-V138 HydrophobicContact CG-CG1 4.19Å; F18-H139 CarbonylContact C-O 3.49Å; F18-H139 VanDerWaalsContact CA-O 3.23Å; F18-H139 WeakPolarHBondContact CA-O 3.34Å; F18-H139 WeakPolarHBondContact CB-O 3.31Å |
| 19 | G | 94 | Very high | 76 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 154.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M44 Q48 H139 | G19-M44 PolarHBondContact N-SD 3.4Å; G19-Q48 WeakPolarHBondContact CA-O 3.46Å; G19-H139 PolarHBondContact N-O 2.83Å; G19-H139 PolarHBondContact O-N 2.87Å |
| 20 | L | 95.8 | Very high | 79.4 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 124.2 | 173 | -72.3 | 174.2 | 0 | 0 | 0 | 109.9 | F18 Y27 L28 L66 W105 L107 W136 S137 V138 | F18-L20 HydrophobicContact CD2-CD2 4.02Å; F18-L20 HydrophobicContact CD2-CG 4.01Å; F18-L20 HydrophobicContact CE2-CD1 4.06Å; F18-L20 HydrophobicContact CE2-CD2 3.77Å; F18-L20 HydrophobicContact CE2-CG 3.67Å; L20-Y27 CarbonylContact O-C 3.55Å; L20-Y27 VanDerWaalsContact O-CA 3.26Å; L20-Y27 WeakPolarHBondContact O-CA 3.42Å; L20-L28 HydrophobicContact CB-CB 3.92Å; L20-L28 HydrophobicContact CB-CD2 4.37Å; L20-L28 HydrophobicContact CD1-CD2 3.8Å; L20-L28 PolarHBondContact O-N 3.06Å; L20-L66 HydrophobicContact CD1-CD2 3.63Å; L20-W105 HydrophobicContact CD2-CE3 4.31Å; L20-L107 HydrophobicContact CD1-CD1 4.22Å; L20-L107 HydrophobicContact CD1-CD2 4.29Å; L20-W136 HydrophobicContact CB-CB 4.32Å; L20-W136 HydrophobicContact CB-CD2 4.36Å; L20-W136 HydrophobicContact CB-CE3 3.78Å; L20-W136 HydrophobicContact CB-CZ3 4.49Å; L20-W136 HydrophobicContact CD2-CB 3.92Å; L20-S137 WeakPolarHBondContact CA-O 3.17Å; L20-V138 HydrophobicContact CD2-CG2 3.86Å |
| 21 | I | 95.3 | Very high | 82.5 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.5 | -177.5 | -55.7 | 166.8 | 0 | 0 | 0 | 109.3 | N25 K26 Y27 W136 S137 H139 F184 | I21-N25 WeakPolarHBondContact CG2-OD1 3.36Å; I21-K26 CarbonylContact C-O 3.56Å; I21-K26 WeakPolarHBondContact CA-O 3.32Å; I21-Y27 HydrophobicContact CD1-CE1 3.74Å; I21-Y27 HydrophobicContact CG1-CD1 3.71Å; I21-Y27 HydrophobicContact CG1-CE1 3.34Å; I21-Y27 HydrophobicContact CG1-CE2 4.3Å; I21-Y27 HydrophobicContact CG1-CG 4.32Å; I21-W136 CarbonylContact O-C 3.56Å; I21-W136 VanDerWaalsContact O-CA 3.28Å; I21-W136 WeakPolarHBondContact O-CA 3.41Å; I21-S137 PolarHBondContact N-O 2.61Å; I21-S137 PolarHBondContact O-N 3.1Å; I21-H139 HydrophobicContact CD1-CB 3.99Å; I21-F184 HydrophobicContact CD1-CE1 4.1Å; I21-F184 HydrophobicContact CD1-CZ 4.16Å |
| 22 | N | 95.3 | Very high | 85.2 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -77.6 | -177 | 179.1 | 76.1 | -11.6 | 0 | 0 | 0 | 113 | G24 N25 K26 A39 G118 W136 | N22-G24 PolarHBondContact O-N 2.74Å; N22-G24 WeakPolarHBondContact OD1-CA 3.49Å; N22-G24 PolarHBondContact OD1-N 2.69Å; N22-N25 PolarHBondContact O-N 2.82Å; N22-N25 PolarHBondContact OD1-N 3.09Å; N22-K26 PolarHBondContact N-O 3.41Å; N22-K26 WeakPolarHBondContact OD1-CB 3.44Å; N22-K26 PolarHBondContact OD1-N 2.99Å; N22-K26 PolarHBondContact OD1-O 2.85Å; N22-A39 HydrophobicContact CB-CB 4.31Å; N22-A39 WeakPolarHBondContact ND2-CB 3.43Å; N22-G118 PolarHBondContact ND2-O 3.5Å; N22-W136 HydrophobicContact CB-CD2 4.5Å; N22-W136 HydrophobicContact CB-CE3 3.8Å; N22-W136 HydrophobicContact CB-CH2 3.84Å; N22-W136 HydrophobicContact CB-CZ3 3.46Å; N22-W136 VanDerWaalsContact CB-CZ3 3.46Å | ||
| 23 | C | 93.6 | Very high | 87.6 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.7 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | N25 V132 | C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 2.85Å; C23-V132 HydrophobicContact CB-CG1 3.7Å; C23-V132 WeakPolarHBondContact CB-O 3.39Å |
| 24 | G | 93.4 | Very high | 89.7 | Confident | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N22 K26 | N22-G24 PolarHBondContact O-N 2.74Å; N22-G24 WeakPolarHBondContact OD1-CA 3.49Å; N22-G24 PolarHBondContact OD1-N 2.69Å; G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 3.42Å |
| 25 | N | 91.2 | Very high | 91.5 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 57.5 | 37.8 | -174 | -161.1 | 42 | 0 | 0 | 0 | 113 | I21 N22 C23 Q187 | I21-N25 WeakPolarHBondContact CG2-OD1 3.36Å; N22-N25 PolarHBondContact O-N 2.82Å; N22-N25 PolarHBondContact OD1-N 3.09Å; C23-N25 VanDerWaalsContact C-N 3.25Å; C23-N25 PolarHBondContact O-N 2.85Å; N25-Q187 PolarHBondContact OD1-NE2 3.22Å |
| 26 | K | 94.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 44.6 Ų | 44.6 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | trans | -118.7 | 147 | 177.4 | -56.4 | -59.1 | -165.6 | 136.2 | 0 | 111.1 | I21 N22 G24 A39 S40 A41 T42 | I21-K26 CarbonylContact C-O 3.56Å; I21-K26 WeakPolarHBondContact CA-O 3.32Å; N22-K26 PolarHBondContact N-O 3.41Å; N22-K26 WeakPolarHBondContact OD1-CB 3.44Å; N22-K26 PolarHBondContact OD1-N 2.99Å; N22-K26 PolarHBondContact OD1-O 2.85Å; G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 3.42Å; K26-A39 HydrophobicContact CB-CB 4.37Å; K26-A39 WeakPolarHBondContact CB-O 3.46Å; K26-A39 WeakPolarHBondContact CG-O 3.31Å; K26-S40 WeakPolarHBondContact CD-O 3.36Å; K26-S40 PolarHBondContact NZ-O 3.48Å; K26-A41 CarbonylContact C-O 3.46Å; K26-A41 WeakPolarHBondContact CA-O 3.49Å; K26-T42 HydrophobicContact CD-CG2 3.86Å | ||
| 27 | Y | 96.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.6 | -179.1 | -72.5 | -88 | 0 | 0 | 0 | 112.4 | L20 I21 T29 A39 A41 S43 M44 Q48 H139 | L20-Y27 CarbonylContact O-C 3.55Å; L20-Y27 VanDerWaalsContact O-CA 3.26Å; L20-Y27 WeakPolarHBondContact O-CA 3.42Å; I21-Y27 HydrophobicContact CD1-CE1 3.74Å; I21-Y27 HydrophobicContact CG1-CD1 3.71Å; I21-Y27 HydrophobicContact CG1-CE1 3.34Å; I21-Y27 HydrophobicContact CG1-CE2 4.3Å; I21-Y27 HydrophobicContact CG1-CG 4.32Å; Y27-T29 PolarHBondContact O-N 2.87Å; Y27-T29 PolarHBondContact O-OG1 3.19Å; Y27-A39 WeakPolarHBondContact O-CA 3.42Å; Y27-A41 PolarHBondContact N-O 3.05Å; Y27-S43 VanDerWaalsContact CD2-C 3.45Å; Y27-M44 HydrophobicContact CD1-CB 4.02Å; Y27-M44 HydrophobicContact CD1-CG 4.35Å; Y27-M44 HydrophobicContact CD2-CB 4.5Å; Y27-M44 HydrophobicContact CE1-CB 3.68Å; Y27-M44 HydrophobicContact CE1-CG 4.2Å; Y27-M44 HydrophobicContact CE1-SD 4.14Å; Y27-M44 HydrophobicContact CE2-CB 4.18Å; Y27-M44 HydrophobicContact CG-CB 4.42Å; Y27-Q48 HydrophobicContact CD1-CB 4.49Å; Y27-Q48 HydrophobicContact CG-CB 4.33Å; Y27-Q48 HydrophobicContact CG-CG 4.15Å; Y27-H139 HydrophobicContact CE1-CB 4.17Å; Y27-H139 AromaticContact CE1-ND1 3.85Å; Y27-H139 AromaticContact CZ-ND1 3.8Å; Y27-H139 PolarHBondContact OH-CE1 2.88Å; Y27-H139 PolarHBondContact OH-ND1 2.89Å |
| 28 | L | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 125.1 | 165.7 | -171.2 | 71 | 0 | 0 | 0 | 109.6 | L20 I37 N38 Q48 W50 I74 I123 W136 | L20-L28 HydrophobicContact CB-CB 3.92Å; L20-L28 HydrophobicContact CB-CD2 4.37Å; L20-L28 HydrophobicContact CD1-CD2 3.8Å; L20-L28 PolarHBondContact O-N 3.06Å; L28-I37 HydrophobicContact CD1-CG2 3.42Å; L28-I37 VanDerWaalsContact CD1-CG2 3.42Å; L28-I37 HydrophobicContact CG-CG2 4.16Å; L28-N38 CarbonylContact C-O 3.48Å; L28-N38 WeakPolarHBondContact CA-O 3.42Å; L28-Q48 WeakPolarHBondContact O-CA 3.47Å; L28-W50 HydrophobicContact CD2-CD2 4.41Å; L28-W50 HydrophobicContact CD2-CZ2 3.84Å; L28-W50 HydrophobicContact CG-CZ2 3.83Å; L28-W50 PolarHBondContact O-NE1 3.22Å; L28-I74 HydrophobicContact CD2-CD1 4.38Å; L28-I123 HydrophobicContact CD1-CG2 4.45Å; L28-W136 HydrophobicContact CB-CE3 4.47Å; L28-W136 HydrophobicContact CB-CH2 4.44Å; L28-W136 HydrophobicContact CB-CZ3 3.85Å; L28-W136 HydrophobicContact CD1-CH2 3.75Å; L28-W136 HydrophobicContact CD1-CZ2 4.49Å; L28-W136 HydrophobicContact CD1-CZ3 4.04Å; L28-W136 HydrophobicContact CG-CZ3 4.47Å |
| 29 | T | 97.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.5 | -168.4 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | Y27 I37 N38 A41 K47 Q48 | Y27-T29 PolarHBondContact O-N 2.87Å; Y27-T29 PolarHBondContact O-OG1 3.19Å; T29-I37 WeakPolarHBondContact O-CA 3.4Å; T29-N38 WeakPolarHBondContact CB-OD1 3.36Å; T29-N38 PolarHBondContact N-O 3.39Å; T29-N38 PolarHBondContact O-N 2.74Å; T29-N38 VanDerWaalsContact O-N 3.09Å; T29-A41 WeakPolarHBondContact OG1-CB 3.37Å; T29-K47 HydrophobicContact CG2-CB 3.91Å; T29-Q48 VanDerWaalsContact CG2-NE2 3.28Å; T29-Q48 PolarHBondContact OG1-NE2 3.14Å |
| 30 | A | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 117.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | I37 K47 W50 H69 | A30-I37 HydrophobicContact CB-CD1 4.02Å; A30-K47 PolarHBondContact N-O 3.12Å; A30-W50 HydrophobicContact CB-CH2 3.82Å; A30-W50 HydrophobicContact CB-CZ2 3.89Å; A30-H69 PolarHBondContact O-CE1 2.93Å |
| 31 | E | 95.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 25% | 0.248 | 25% | 0.251 | C | S | . | . | trans | -73.7 | 141 | 176.1 | -69.3 | -57.4 | 151.9 | 0 | 0 | 111.9 | F33 K36 N38 K47 | E31-F33 VanDerWaalsContact C-N 3.27Å; E31-F33 PolarHBondContact O-N 2.76Å; E31-K36 PolarHBondContact N-O 3.1Å; E31-N38 WeakPolarHBondContact CG-ND2 3.38Å; E31-N38 PolarHBondContact OE1-ND2 3.31Å; E31-K47 IonicContact OE1-NZ 3.42Å; E31-K47 PolarHBondContact OE1-NZ 2.86Å; E31-K47 IonicContact OE2-NZ 2.69Å; E31-K47 PolarHBondContact OE2-NZ 2.93Å | ||
| 32 | T | 91.5 | Very high | 94.1 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 36% | 0.362 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -66.2 | -31.6 | -179.5 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | L70 | T32-L70 HydrophobicContact CG2-CD2 4.5Š|
| 33 | F | 89.5 | Confident | 93.6 | Very high | 182 Ų | 182 | 50.7 Ų | 50.7 | 80% | 0.798 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -117.5 | 139.6 | -179 | -57.3 | -70.7 | 0 | 0 | 0 | 110.6 | E31 F35 | E31-F33 VanDerWaalsContact C-N 3.27Å; E31-F33 PolarHBondContact O-N 2.76Å; F33-F35 PolarHBondContact O-N 3.29Å |
| 34 | G | 89.5 | Confident | 93.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K36 | G34-K36 PolarHBondContact O-N 3.09Š|
| 35 | F | 89.8 | Confident | 93.2 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 27.3 | 172.8 | -48.1 | -58 | 0 | 0 | 0 | 115.1 | F33 G84 D85 | F33-F35 PolarHBondContact O-N 3.29Å; F35-G84 PolarHBondContact O-N 3.36Å; F35-D85 HydrophobicContact CB-CB 3.61Å; F35-D85 HydrophobicContact CD2-CB 3.58Å; F35-D85 HydrophobicContact CE2-CB 4.39Å; F35-D85 HydrophobicContact CG-CB 3.66Å |
| 36 | K | 93.7 | Very high | 93.1 | Very high | 154 Ų | 154 | 55.4 Ų | 55.4 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | B | Isolated β-bridge | trans | -77.6 | 146.6 | 178.4 | -67.9 | -170.2 | 177.3 | -174.8 | 0 | 110.9 | E31 G34 | E31-K36 PolarHBondContact N-O 3.1Å; G34-K36 PolarHBondContact O-N 3.09Å |
| 37 | I | 97.2 | Very high | 93.1 | Very high | 12 Ų | 12 | 56.3 Ų | 56.3 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.5 | 173.6 | -55.9 | -51.7 | 0 | 0 | 0 | 109.3 | L28 T29 A30 W50 I74 V82 I123 | L28-I37 HydrophobicContact CD1-CG2 3.42Å; L28-I37 VanDerWaalsContact CD1-CG2 3.42Å; L28-I37 HydrophobicContact CG-CG2 4.16Å; T29-I37 WeakPolarHBondContact O-CA 3.4Å; A30-I37 HydrophobicContact CB-CD1 4.02Å; I37-W50 HydrophobicContact CD1-CH2 3.73Å; I37-W50 HydrophobicContact CD1-CZ2 4.27Å; I37-I74 HydrophobicContact CG1-CG1 4.47Å; I37-I74 HydrophobicContact CG2-CD1 4.36Å; I37-V82 HydrophobicContact CB-CG1 4.13Å; I37-V82 HydrophobicContact CG1-CG1 4.09Å; I37-V82 HydrophobicContact CG2-CG1 4.38Å; I37-I123 HydrophobicContact CG2-CB 4.46Å; I37-I123 HydrophobicContact CG2-CG2 4.09Å |
| 38 | N | 97.5 | Very high | 93 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 172.2 | 175.1 | 69.4 | 71.9 | 0 | 0 | 0 | 111.2 | L28 T29 E31 S40 E120 | L28-N38 CarbonylContact C-O 3.48Å; L28-N38 WeakPolarHBondContact CA-O 3.42Å; T29-N38 WeakPolarHBondContact CB-OD1 3.36Å; T29-N38 PolarHBondContact N-O 3.39Å; T29-N38 PolarHBondContact O-N 2.74Å; T29-N38 VanDerWaalsContact O-N 3.09Å; E31-N38 WeakPolarHBondContact CG-ND2 3.38Å; E31-N38 PolarHBondContact OE1-ND2 3.31Å; N38-S40 PolarHBondContact OD1-N 3.02Å; N38-E120 CarbonylContact C-O 3.48Å; N38-E120 VanDerWaalsContact CA-O 3.32Å; N38-E120 WeakPolarHBondContact CA-O 3.48Å; N38-E120 VanDerWaalsContact CB-O 3.31Å; N38-E120 WeakPolarHBondContact CB-O 3.39Å |
| 39 | A | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 69 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N22 K26 Y27 E120 I123 W136 | N22-A39 HydrophobicContact CB-CB 4.31Å; N22-A39 WeakPolarHBondContact ND2-CB 3.43Å; K26-A39 HydrophobicContact CB-CB 4.37Å; K26-A39 WeakPolarHBondContact CB-O 3.46Å; K26-A39 WeakPolarHBondContact CG-O 3.31Å; Y27-A39 WeakPolarHBondContact O-CA 3.42Å; A39-E120 PolarHBondContact N-O 3.29Å; A39-E120 WeakPolarHBondContact O-CA 3.37Å; A39-E120 PolarHBondContact O-N 2.74Å; A39-I123 HydrophobicContact CB-CD1 3.83Å; A39-I123 HydrophobicContact CB-CG1 4.43Å; A39-W136 HydrophobicContact CB-CH2 4.14Å; A39-W136 HydrophobicContact CB-CZ3 4.18Å |
| 40 | S | 94.9 | Very high | 92.6 | Very high | 42 Ų | 42 | 58.3 Ų | 58.3 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -19.1 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | K26 N38 E120 | K26-S40 WeakPolarHBondContact CD-O 3.36Å; K26-S40 PolarHBondContact NZ-O 3.48Å; N38-S40 PolarHBondContact OD1-N 3.02Å; S40-E120 VanDerWaalsContact CA-OE2 3.28Å; S40-E120 WeakPolarHBondContact CA-OE2 3.49Å; S40-E120 WeakPolarHBondContact CB-OE2 3.42Å; S40-E120 WeakPolarHBondContact OG-CA 3.45Å; S40-E120 PolarHBondContact OG-OE2 3.5Å |
| 41 | A | 93.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K26 Y27 T29 Q48 | K26-A41 CarbonylContact C-O 3.46Å; K26-A41 WeakPolarHBondContact CA-O 3.49Å; Y27-A41 PolarHBondContact N-O 3.05Å; T29-A41 WeakPolarHBondContact OG1-CB 3.37Å; A41-Q48 HydrophobicContact CB-CG 3.86Å |
| 42 | T | 89.1 | Confident | 92 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -87.4 | -10.2 | 178.1 | 51.3 | 0 | 0 | 0 | 0 | 114 | K26 | K26-T42 HydrophobicContact CD-CG2 3.86Š|
| 43 | S | 85.4 | Confident | 91.8 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -137.8 | 143.6 | -177.2 | 63.6 | 0 | 0 | 0 | 0 | 110.2 | Y27 K45 | Y27-S43 VanDerWaalsContact CD2-C 3.45Å; S43-K45 PolarHBondContact O-N 3.27Å |
| 44 | M | 90.2 | Very high | 91.3 | Very high | 20 Ų | 20 | 50.4 Ų | 50.4 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -75 | 112.8 | 170.8 | -168.1 | 168.3 | 66.9 | 0 | 0 | 110.8 | G19 Y27 Q48 I49 A141 S412 | G19-M44 PolarHBondContact N-SD 3.4Å; Y27-M44 HydrophobicContact CD1-CB 4.02Å; Y27-M44 HydrophobicContact CD1-CG 4.35Å; Y27-M44 HydrophobicContact CD2-CB 4.5Å; Y27-M44 HydrophobicContact CE1-CB 3.68Å; Y27-M44 HydrophobicContact CE1-CG 4.2Å; Y27-M44 HydrophobicContact CE1-SD 4.14Å; Y27-M44 HydrophobicContact CE2-CB 4.18Å; Y27-M44 HydrophobicContact CG-CB 4.42Å; M44-Q48 HydrophobicContact CB-CB 4.44Å; M44-Q48 HydrophobicContact CG-CB 4.02Å; M44-I49 HydrophobicContact CG-CG1 4.3Å; M44-A141 HydrophobicContact CE-CB 3.76Å; M44-A141 HydrophobicContact SD-CB 4.1Å; M44-S412 VanDerWaalsContact N-CB 3.32Å | ||
| 45 | K | 87.9 | Confident | 90.4 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | trans | -124.3 | -169.3 | 167.8 | -58.2 | -175.3 | 177.9 | -174.9 | 0 | 108.9 | S43 K47 Q48 I49 | S43-K45 PolarHBondContact O-N 3.27Å; K45-K47 VanDerWaalsContact C-N 3.27Å; K45-K47 PolarHBondContact O-N 3.47Å; K45-K47 VanDerWaalsContact O-N 3.12Å; K45-Q48 WeakPolarHBondContact O-CB 3.49Å; K45-Q48 PolarHBondContact O-N 3.43Å; K45-Q48 PolarHBondContact O-OE1 2.83Å; K45-I49 PolarHBondContact O-N 3.37Å | ||
| 46 | K | 89.2 | Confident | 89 | Confident | 152 Ų | 152 | 48.2 Ų | 48.2 | 66% | 0.661 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -45.7 | -46.1 | 179.9 | -170.6 | 179.6 | -175.7 | -178.7 | 0 | 113.7 | Q48 I49 H69 | K46-Q48 PolarHBondContact O-N 2.89Å; K46-I49 PolarHBondContact O-N 3.17Å; K46-H69 HydrophobicContact CG-CB 4.07Å; K46-H69 VanDerWaalsContact O-CB 3.27Å; K46-H69 WeakPolarHBondContact O-CB 3.46Å |
| 47 | K | 94.6 | Very high | 87.1 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -69.9 | -16.3 | -177 | -60.4 | -163.7 | -59.9 | 174 | 0 | 114.6 | T29 A30 E31 K45 | T29-K47 HydrophobicContact CG2-CB 3.91Å; A30-K47 PolarHBondContact N-O 3.12Å; E31-K47 IonicContact OE1-NZ 3.42Å; E31-K47 PolarHBondContact OE1-NZ 2.86Å; E31-K47 IonicContact OE2-NZ 2.69Å; E31-K47 PolarHBondContact OE2-NZ 2.93Å; K45-K47 VanDerWaalsContact C-N 3.27Å; K45-K47 PolarHBondContact O-N 3.47Å; K45-K47 VanDerWaalsContact O-N 3.12Å |
| 48 | Q | 95.3 | Very high | 85 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -99.4 | -3.6 | -178.2 | -67.6 | 68.6 | 43.8 | 0 | 0 | 112.6 | G19 Y27 L28 T29 A41 M44 K45 K46 | G19-Q48 WeakPolarHBondContact CA-O 3.46Å; Y27-Q48 HydrophobicContact CD1-CB 4.49Å; Y27-Q48 HydrophobicContact CG-CB 4.33Å; Y27-Q48 HydrophobicContact CG-CG 4.15Å; L28-Q48 WeakPolarHBondContact O-CA 3.47Å; T29-Q48 VanDerWaalsContact CG2-NE2 3.28Å; T29-Q48 PolarHBondContact OG1-NE2 3.14Å; A41-Q48 HydrophobicContact CB-CG 3.86Å; M44-Q48 HydrophobicContact CB-CB 4.44Å; M44-Q48 HydrophobicContact CG-CB 4.02Å; K45-Q48 WeakPolarHBondContact O-CB 3.49Å; K45-Q48 PolarHBondContact O-N 3.43Å; K45-Q48 PolarHBondContact O-OE1 2.83Å; K46-Q48 PolarHBondContact O-N 2.89Å |
| 49 | I | 93.1 | Very high | 82.8 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | trans | -86.2 | 127 | 178.9 | -65.7 | 171.6 | 0 | 0 | 0 | 109.4 | Q17 M44 K45 K46 H69 A141 | Q17-I49 HydrophobicContact CB-CG2 3.94Å; Q17-I49 HydrophobicContact CG-CG2 4.17Å; M44-I49 HydrophobicContact CG-CG1 4.3Å; K45-I49 PolarHBondContact O-N 3.37Å; K46-I49 PolarHBondContact O-N 3.17Å; I49-H69 PolarHBondContact O-N 2.79Å; I49-A141 HydrophobicContact CD1-CB 4.43Å; I49-A141 HydrophobicContact CG1-CB 4.24Å | ||
| 50 | W | 93.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146.5 | 175.2 | -61.1 | 88.6 | 0 | 0 | 0 | 109.7 | Q17 F18 L28 A30 I37 L66 K67 I74 | Q17-W50 CarbonylContact C-O 3.56Å; Q17-W50 VanDerWaalsContact CA-O 3.29Å; Q17-W50 WeakPolarHBondContact CA-O 3.28Å; F18-W50 WeakPolarHBondContact CD1-O 3.36Å; F18-W50 HydrophobicContact CE1-CB 4.27Å; F18-W50 HydrophobicContact CE2-CB 4.37Å; F18-W50 HydrophobicContact CZ-CB 4.11Å; F18-W50 PolarHBondContact N-O 3.2Å; F18-W50 PolarHBondContact O-N 2.76Å; L28-W50 HydrophobicContact CD2-CD2 4.41Å; L28-W50 HydrophobicContact CD2-CZ2 3.84Å; L28-W50 HydrophobicContact CG-CZ2 3.83Å; L28-W50 PolarHBondContact O-NE1 3.22Å; A30-W50 HydrophobicContact CB-CH2 3.82Å; A30-W50 HydrophobicContact CB-CZ2 3.89Å; I37-W50 HydrophobicContact CD1-CH2 3.73Å; I37-W50 HydrophobicContact CD1-CZ2 4.27Å; W50-L66 HydrophobicContact CE3-CB 4.14Å; W50-K67 CarbonylContact C-O 3.56Å; W50-K67 VanDerWaalsContact CA-O 3.32Å; W50-K67 WeakPolarHBondContact CA-O 3.24Å; W50-I74 HydrophobicContact CH2-CB 4.49Å; W50-I74 HydrophobicContact CZ3-CB 4.17Å |
| 51 | T | 91.5 | Very high | 78.9 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.1 | 173.6 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | Q15 I16 E53 K67 | Q15-T51 HydrophobicContact CB-CG2 3.97Å; Q15-T51 HydrophobicContact CG-CG2 4.25Å; I16-T51 WeakPolarHBondContact O-CA 3.45Å; T51-E53 HydrophobicContact CG2-CG 4.44Å; T51-K67 PolarHBondContact N-O 3.19Å; T51-K67 PolarHBondContact O-N 2.87Å |
| 52 | L | 88.2 | Confident | 78.1 | Confident | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116.9 | 177.5 | -161.3 | 66.8 | 0 | 0 | 0 | 109.4 | I16 F18 F64 L66 I97 F219 | I16-L52 PolarHBondContact O-N 3.03Å; F18-L52 HydrophobicContact CE1-CB 3.63Å; F18-L52 HydrophobicContact CE1-CD1 4.32Å; F18-L52 HydrophobicContact CE1-CG 4.49Å; F18-L52 HydrophobicContact CZ-CB 4.24Å; F18-L52 HydrophobicContact CZ-CD1 4.08Å; L52-F64 HydrophobicContact CD1-CB 3.53Å; L52-F64 HydrophobicContact CD1-CD1 4.01Å; L52-F64 HydrophobicContact CD1-CG 3.81Å; L52-F64 HydrophobicContact CD2-CD1 3.72Å; L52-F64 HydrophobicContact CD2-CE1 3.92Å; L52-F64 HydrophobicContact CD2-CG 4.15Å; L52-F64 HydrophobicContact CD2-CZ 4.49Å; L52-F64 HydrophobicContact CG-CB 4.07Å; L52-F64 HydrophobicContact CG-CD1 3.61Å; L52-F64 HydrophobicContact CG-CE1 4.28Å; L52-F64 HydrophobicContact CG-CG 3.96Å; L52-L66 HydrophobicContact CD1-CD1 4.04Å; L52-L66 HydrophobicContact CD1-CG 4.23Å; L52-I97 HydrophobicContact CD1-CD1 3.64Å; L52-I97 HydrophobicContact CD2-CD1 4.35Å; L52-F219 HydrophobicContact CD2-CB 3.89Å; L52-F219 HydrophobicContact CD2-CD2 3.94Å; L52-F219 HydrophobicContact CD2-CG 4.33Å |
| 53 | E | 87.3 | Confident | 78 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 127.5 | 175.2 | -63.5 | -176.1 | -177.2 | 0 | 0 | 109 | T51 F64 F65 K67 Y73 | T51-E53 HydrophobicContact CG2-CG 4.44Å; E53-F64 CarbonylContact O-C 3.58Å; E53-F64 VanDerWaalsContact O-CA 3.32Å; E53-F64 WeakPolarHBondContact O-CA 3.4Å; E53-F65 HydrophobicContact CB-CB 4.35Å; E53-F65 PolarHBondContact N-O 2.93Å; E53-F65 PolarHBondContact O-N 3.01Å; E53-K67 WeakPolarHBondContact OE1-CD 3.16Å; E53-K67 IonicContact OE1-NZ 3.94Å; E53-K67 PolarHBondContact OE1-NZ 2.91Å; E53-K67 IonicContact OE2-NZ 3.86Å; E53-Y73 WeakPolarHBondContact OE2-CE1 3.37Å; E53-Y73 PolarHBondContact OE2-OH 3.1Å |
| 54 | Q | 79.1 | Confident | 78.2 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 142.7 | 177.9 | -165.9 | 177 | 8.3 | 0 | 0 | 110.4 | G56 F64 S221 | Q54-G56 PolarHBondContact O-N 2.56Å; Q54-F64 HydrophobicContact CB-CD1 3.95Å; Q54-F64 HydrophobicContact CB-CE1 3.97Å; Q54-F64 HydrophobicContact CG-CD1 4.07Å; Q54-F64 HydrophobicContact CG-CE1 3.86Å; Q54-S221 PolarHBondContact OE1-OG 2.94Å |
| 55 | S | 70.1 | Confident | 78.3 | Confident | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | trans | -63.7 | 127.2 | 171 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | D57 V63 R94 | S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.1Å; S55-V63 PolarHBondContact N-O 3.32Å; S55-R94 PolarHBondContact OG-NH1 3.48Å | ||
| 56 | G | 59.5 | Low | 78.6 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 79% | 0.794 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q54 | Q54-G56 PolarHBondContact O-N 2.56Š|
| 57 | D | 55.1 | Low | 78.9 | Confident | 154 Ų | 154 | 43.5 Ų | 43.5 | 82% | 0.824 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.9 | -168.3 | -70 | -26.3 | 0 | 0 | 0 | 114.3 | S55 | S55-D57 VanDerWaalsContact C-N 3.27Å; S55-D57 PolarHBondContact O-N 3.1Å |
| 58 | D | 52 | Low | 78.9 | Confident | 82 Ų | 82 | 40.6 Ų | 40.6 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | trans | -154.8 | 95 | 175.5 | -160.8 | -10.4 | 0 | 0 | 0 | 112.6 | S60 A61 | D58-S60 VanDerWaalsContact CG-OG 3.23Å; D58-S60 PolarHBondContact O-N 3.44Å; D58-S60 WeakPolarHBondContact OD1-CB 3.31Å; D58-S60 PolarHBondContact OD1-N 2.91Å; D58-S60 VanDerWaalsContact OD1-N 3.09Å; D58-S60 PolarHBondContact OD1-OG 3.36Å; D58-S60 PolarHBondContact OD2-OG 2.9Å; D58-A61 HydrophobicContact CB-CB 4.05Å; D58-A61 PolarHBondContact O-N 3.26Å | ||
| 59 | S | 51.3 | Low | 78.8 | Confident | 102 Ų | 102 | 42.3 Ų | 42.3 | 71% | 0.713 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -10.9 | 174.8 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 60 | S | 50.8 | Low | 78.8 | Confident | 97 Ų | 97 | 43.2 Ų | 43.2 | 68% | 0.678 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.7 | 175.5 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | D58 | D58-S60 VanDerWaalsContact CG-OG 3.23Å; D58-S60 PolarHBondContact O-N 3.44Å; D58-S60 WeakPolarHBondContact OD1-CB 3.31Å; D58-S60 PolarHBondContact OD1-N 2.91Å; D58-S60 VanDerWaalsContact OD1-N 3.09Å; D58-S60 PolarHBondContact OD1-OG 3.36Å; D58-S60 PolarHBondContact OD2-OG 2.9Å |
| 61 | A | 60.1 | Low | 78.8 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -87.8 | 123.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | D58 V63 | D58-A61 HydrophobicContact CB-CB 4.05Å; D58-A61 PolarHBondContact O-N 3.26Å; A61-V63 HydrophobicContact CB-CB 4.44Å; A61-V63 HydrophobicContact CB-CG2 3.79Å; A61-V63 PolarHBondContact O-N 2.79Å |
| 62 | N | 76.6 | Confident | 79 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -76.5 | 48.6 | 178.8 | -153.1 | 34.9 | 0 | 0 | 0 | 111.6 | F64 V96 I97 | N62-F64 HydrophobicContact CB-CE2 4.37Å; N62-F64 WeakPolarHBondContact O-CD2 3.33Å; N62-F64 WeakPolarHBondContact O-CE2 3.19Å; N62-F64 WeakPolarHBondContact OD1-CE2 3.34Å; N62-F64 VanDerWaalsContact OD1-CZ 3.29Å; N62-F64 WeakPolarHBondContact OD1-CZ 3.02Å; N62-V96 WeakPolarHBondContact O-CA 3.22Å; N62-I97 PolarHBondContact ND2-O 3.39Å; N62-I97 PolarHBondContact O-N 2.86Å | ||
| 63 | V | 87.8 | Confident | 79.4 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.4 | -170.5 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | S55 A61 R94 F95 V96 E110 | S55-V63 PolarHBondContact N-O 3.32Å; A61-V63 HydrophobicContact CB-CB 4.44Å; A61-V63 HydrophobicContact CB-CG2 3.79Å; A61-V63 PolarHBondContact O-N 2.79Å; V63-R94 HydrophobicContact CG1-CB 3.84Å; V63-R94 HydrophobicContact CG1-CG 4.23Å; V63-F95 WeakPolarHBondContact CA-O 3.42Å; V63-V96 HydrophobicContact CG2-CG2 4.01Å; V63-E110 HydrophobicContact CG2-CG 4.35Å; V63-E110 WeakPolarHBondContact CG2-OE1 3.41Å |
| 64 | F | 89.4 | Confident | 79.8 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 157.7 | -174.9 | -55.9 | -86.5 | 0 | 0 | 0 | 112 | L52 E53 Q54 N62 F95 I97 F219 | L52-F64 HydrophobicContact CD1-CB 3.53Å; L52-F64 HydrophobicContact CD1-CD1 4.01Å; L52-F64 HydrophobicContact CD1-CG 3.81Å; L52-F64 HydrophobicContact CD2-CD1 3.72Å; L52-F64 HydrophobicContact CD2-CE1 3.92Å; L52-F64 HydrophobicContact CD2-CG 4.15Å; L52-F64 HydrophobicContact CD2-CZ 4.49Å; L52-F64 HydrophobicContact CG-CB 4.07Å; L52-F64 HydrophobicContact CG-CD1 3.61Å; L52-F64 HydrophobicContact CG-CE1 4.28Å; L52-F64 HydrophobicContact CG-CG 3.96Å; E53-F64 CarbonylContact O-C 3.58Å; E53-F64 VanDerWaalsContact O-CA 3.32Å; E53-F64 WeakPolarHBondContact O-CA 3.4Å; Q54-F64 HydrophobicContact CB-CD1 3.95Å; Q54-F64 HydrophobicContact CB-CE1 3.97Å; Q54-F64 HydrophobicContact CG-CD1 4.07Å; Q54-F64 HydrophobicContact CG-CE1 3.86Å; N62-F64 HydrophobicContact CB-CE2 4.37Å; N62-F64 WeakPolarHBondContact O-CD2 3.33Å; N62-F64 WeakPolarHBondContact O-CE2 3.19Å; N62-F64 WeakPolarHBondContact OD1-CE2 3.34Å; N62-F64 VanDerWaalsContact OD1-CZ 3.29Å; N62-F64 WeakPolarHBondContact OD1-CZ 3.02Å; F64-F95 PolarHBondContact N-O 2.81Å; F64-F95 PolarHBondContact O-N 2.75Å; F64-I97 HydrophobicContact CB-CD1 4.21Å; F64-I97 HydrophobicContact CD2-CB 4.1Å; F64-I97 HydrophobicContact CD2-CD1 3.63Å; F64-I97 HydrophobicContact CD2-CG1 3.82Å; F64-I97 HydrophobicContact CE2-CB 4.22Å; F64-I97 HydrophobicContact CE2-CD1 4.24Å; F64-I97 HydrophobicContact CE2-CG1 4.42Å; F64-I97 HydrophobicContact CG-CD1 4.07Å; F64-F219 VanDerWaalsContact CZ-O 3.26Å; F64-F219 WeakPolarHBondContact CZ-O 3.49Å |
| 65 | F | 92.1 | Very high | 80.6 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.6 | 165.4 | -53.5 | -85.8 | 0 | 0 | 0 | 108.3 | E53 Y73 A89 C93 R94 | E53-F65 HydrophobicContact CB-CB 4.35Å; E53-F65 PolarHBondContact N-O 2.93Å; E53-F65 PolarHBondContact O-N 3.01Å; F65-Y73 HydrophobicContact CB-CD1 3.66Å; F65-Y73 HydrophobicContact CB-CE1 3.86Å; F65-Y73 HydrophobicContact CG-CD1 4.46Å; F65-A89 HydrophobicContact CD1-CB 3.92Å; F65-A89 HydrophobicContact CD2-CB 4.46Å; F65-A89 HydrophobicContact CE1-CB 3.69Å; F65-A89 HydrophobicContact CE2-CB 4.25Å; F65-A89 HydrophobicContact CG-CB 4.3Å; F65-A89 HydrophobicContact CZ-CB 3.87Å; F65-C93 HydrophobicContact CD1-CB 3.7Å; F65-C93 VanDerWaalsContact CD1-O 3.28Å; F65-C93 WeakPolarHBondContact CD1-O 3.44Å; F65-C93 HydrophobicContact CE1-CB 4.09Å; F65-R94 HydrophobicContact CD1-CG 4.37Å; F65-R94 HydrophobicContact CE1-CB 4.5Å; F65-R94 HydrophobicContact CE1-CG 3.44Å; F65-R94 VanDerWaalsContact CE1-CG 3.44Å; F65-R94 HydrophobicContact CZ-CG 3.7Å |
| 66 | L | 94.3 | Very high | 81.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.4 | 172.9 | -75.3 | 75 | 0 | 0 | 0 | 108.5 | F18 L20 W50 L52 Y73 I74 F95 L107 | F18-L66 HydrophobicContact CE2-CD2 4.41Å; F18-L66 HydrophobicContact CZ-CD2 4.15Å; F18-L66 HydrophobicContact CZ-CG 4.25Å; L20-L66 HydrophobicContact CD1-CD2 3.63Å; W50-L66 HydrophobicContact CE3-CB 4.14Å; L52-L66 HydrophobicContact CD1-CD1 4.04Å; L52-L66 HydrophobicContact CD1-CG 4.23Å; L66-Y73 WeakPolarHBondContact O-CA 3.49Å; L66-I74 HydrophobicContact CB-CG2 3.66Å; L66-I74 PolarHBondContact O-N 2.99Å; L66-F95 HydrophobicContact CD1-CB 4.49Å; L66-L107 HydrophobicContact CD1-CD2 3.73Å; L66-L107 HydrophobicContact CD2-CD2 3.54Å; L66-L107 HydrophobicContact CG-CD2 4.31Å |
| 67 | K | 94.7 | Very high | 83.7 | Confident | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.222 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.1 | -176.9 | -168.8 | 175.4 | -171.5 | 162.3 | 0 | 111 | W50 T51 E53 G71 R72 Y73 | W50-K67 CarbonylContact C-O 3.56Å; W50-K67 VanDerWaalsContact CA-O 3.32Å; W50-K67 WeakPolarHBondContact CA-O 3.24Å; T51-K67 PolarHBondContact N-O 3.19Å; T51-K67 PolarHBondContact O-N 2.87Å; E53-K67 WeakPolarHBondContact OE1-CD 3.16Å; E53-K67 IonicContact OE1-NZ 3.94Å; E53-K67 PolarHBondContact OE1-NZ 2.91Å; E53-K67 IonicContact OE2-NZ 3.86Å; K67-G71 VanDerWaalsContact CE-O 3.29Å; K67-G71 WeakPolarHBondContact CE-O 3.5Å; K67-R72 CarbonylContact C-O 3.5Å; K67-R72 WeakPolarHBondContact CA-O 3.26Å; K67-Y73 HydrophobicContact CB-CD1 3.93Å; K67-Y73 HydrophobicContact CB-CE1 3.86Å; K67-Y73 HydrophobicContact CD-CE1 3.85Å; K67-Y73 HydrophobicContact CG-CD1 4.24Å; K67-Y73 HydrophobicContact CG-CE1 4.01Å; K67-Y73 PolarHBondContact NZ-OH 2.94Å |
| 68 | S | 95.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 167.9 | 178.4 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | L70 G71 R72 | S68-L70 PolarHBondContact O-N 3.32Å; S68-L70 PolarHBondContact OG-N 2.96Å; S68-G71 PolarHBondContact O-N 2.89Å; S68-R72 PolarHBondContact N-O 3.38Å; S68-R72 PolarHBondContact OG-N 2.9Å; S68-R72 PolarHBondContact OG-O 3.04Å |
| 69 | H | 91.8 | Very high | 87.8 | Confident | 46 Ų | 46 | 40.1 Ų | 40.1 | 21% | 0.213 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -13.2 | 169.5 | 76.1 | -74.8 | 0 | 0 | 0 | 115.6 | A30 K46 I49 G71 | A30-H69 PolarHBondContact O-CE1 2.93Å; K46-H69 HydrophobicContact CG-CB 4.07Å; K46-H69 VanDerWaalsContact O-CB 3.27Å; K46-H69 WeakPolarHBondContact O-CB 3.46Å; I49-H69 PolarHBondContact O-N 2.79Å; H69-G71 VanDerWaalsContact C-N 3.33Å |
| 70 | L | 94.4 | Very high | 89.9 | Confident | 60 Ų | 60 | 35.4 Ų | 35.4 | 31% | 0.314 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.2 | 175.4 | -59.3 | 173.6 | 0 | 0 | 0 | 112.4 | T32 S68 R72 | T32-L70 HydrophobicContact CG2-CD2 4.5Å; S68-L70 PolarHBondContact O-N 3.32Å; S68-L70 PolarHBondContact OG-N 2.96Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 HydrophobicContact CB-CG 4.34Å; L70-R72 PolarHBondContact O-N 3.39Å |
| 71 | G | 94 | Very high | 92.1 | Very high | 35 Ų | 35 | 35 Ų | 35 | 36% | 0.361 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 76.6 | 12.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K67 S68 H69 | K67-G71 VanDerWaalsContact CE-O 3.29Å; K67-G71 WeakPolarHBondContact CE-O 3.5Å; S68-G71 PolarHBondContact O-N 2.89Å; H69-G71 VanDerWaalsContact C-N 3.33Å |
| 72 | R | 95.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | trans | -106.5 | 146 | -178.2 | -60.1 | -177 | -177 | -89.8 | -12.7 | 112.3 | K67 S68 L70 G84 D85 S86 E87 | K67-R72 CarbonylContact C-O 3.5Å; K67-R72 WeakPolarHBondContact CA-O 3.26Å; S68-R72 PolarHBondContact N-O 3.38Å; S68-R72 PolarHBondContact OG-N 2.9Å; S68-R72 PolarHBondContact OG-O 3.04Å; L70-R72 VanDerWaalsContact C-N 3.27Å; L70-R72 HydrophobicContact CB-CG 4.34Å; L70-R72 PolarHBondContact O-N 3.39Å; R72-G84 WeakPolarHBondContact CB-O 3.35Å; R72-G84 WeakPolarHBondContact CD-O 3.39Å; R72-D85 PolarHBondContact NH1-O 3.48Å; R72-S86 CarbonylContact C-O 3.48Å; R72-S86 VanDerWaalsContact CA-O 3.23Å; R72-S86 WeakPolarHBondContact CA-O 3.34Å; R72-S86 WeakPolarHBondContact CB-O 3.43Å; R72-E87 IonicContact CZ-OE1 2.83Å; R72-E87 IonicContact NH1-OE1 2.71Å; R72-E87 PolarHBondContact NH1-OE1 2.85Å; R72-E87 IonicContact NH2-OE1 3.23Å; R72-E87 PolarHBondContact NH2-OE1 3.45Å | ||
| 73 | Y | 96.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 145.9 | -178.9 | -56.9 | -80.5 | 0 | 0 | 0 | 112 | E53 F65 L66 K67 S86 A89 | E53-Y73 WeakPolarHBondContact OE2-CE1 3.37Å; E53-Y73 PolarHBondContact OE2-OH 3.1Å; F65-Y73 HydrophobicContact CB-CD1 3.66Å; F65-Y73 HydrophobicContact CB-CE1 3.86Å; F65-Y73 HydrophobicContact CG-CD1 4.46Å; L66-Y73 WeakPolarHBondContact O-CA 3.49Å; K67-Y73 HydrophobicContact CB-CD1 3.93Å; K67-Y73 HydrophobicContact CB-CE1 3.86Å; K67-Y73 HydrophobicContact CD-CE1 3.85Å; K67-Y73 HydrophobicContact CG-CD1 4.24Å; K67-Y73 HydrophobicContact CG-CE1 4.01Å; K67-Y73 PolarHBondContact NZ-OH 2.94Å; Y73-S86 PolarHBondContact N-O 2.72Å; Y73-A89 HydrophobicContact CE2-CB 4.35Å |
| 74 | I | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.4 | 163.9 | -166.2 | 170.8 | 0 | 0 | 0 | 109.3 | L28 I37 W50 L66 V82 T83 C93 F95 L116 | L28-I74 HydrophobicContact CD2-CD1 4.38Å; I37-I74 HydrophobicContact CG1-CG1 4.47Å; I37-I74 HydrophobicContact CG2-CD1 4.36Å; W50-I74 HydrophobicContact CH2-CB 4.49Å; W50-I74 HydrophobicContact CZ3-CB 4.17Å; L66-I74 HydrophobicContact CB-CG2 3.66Å; L66-I74 PolarHBondContact O-N 2.99Å; I74-V82 HydrophobicContact CD1-CG1 3.77Å; I74-V82 HydrophobicContact CG1-CG1 3.68Å; I74-T83 CarbonylContact C-O 3.5Å; I74-T83 WeakPolarHBondContact CA-O 3.21Å; I74-C93 WeakPolarHBondContact O-CA 3.47Å; I74-F95 HydrophobicContact CG2-CD2 4.15Å; I74-F95 HydrophobicContact CG2-CE2 3.64Å; I74-F95 HydrophobicContact CG2-CZ 4.26Å; I74-L116 HydrophobicContact CD1-CD1 4.34Å; I74-L116 HydrophobicContact CD1-CD2 3.77Å |
| 75 | A | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V82 T83 E92 | A75-V82 VanDerWaalsContact O-CA 3.3Å; A75-V82 WeakPolarHBondContact O-CA 3.19Å; A75-T83 PolarHBondContact N-O 2.92Å; A75-T83 PolarHBondContact O-N 2.79Å; A75-E92 WeakPolarHBondContact CA-O 3.3Å; A75-E92 HydrophobicContact CB-CB 4.26Å |
| 76 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | N81 E92 F95 Y112 C125 | A76-N81 WeakPolarHBondContact CA-O 3.46Å; A76-E92 PolarHBondContact N-O 2.87Å; A76-E92 WeakPolarHBondContact O-CB 3.41Å; A76-F95 HydrophobicContact CB-CE1 4.36Å; A76-F95 HydrophobicContact CB-CZ 3.95Å; A76-Y112 WeakPolarHBondContact O-CE2 3.13Å; A76-C125 HydrophobicContact CB-CB 3.55Å |
| 77 | D | 95.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 46 Ų | 46 | 24% | 0.235 | 24% | 0.241 | C | C | . | . | trans | -88.9 | 177.1 | 177.3 | 75.2 | 14.1 | 0 | 0 | 0 | 112.6 | D79 G80 N81 | D77-D79 PolarHBondContact O-N 3.08Å; D77-D79 WeakPolarHBondContact OD1-CA 3.35Å; D77-D79 PolarHBondContact OD1-N 2.9Å; D77-G80 PolarHBondContact O-N 2.7Å; D77-G80 PolarHBondContact OD1-N 3.02Å; D77-N81 PolarHBondContact N-O 2.86Å; D77-N81 VanDerWaalsContact N-O 3.08Å; D77-N81 PolarHBondContact OD1-N 3.49Å; D77-N81 PolarHBondContact OD1-ND2 3.35Å; D77-N81 WeakPolarHBondContact OD2-CB 3.35Å; D77-N81 PolarHBondContact OD2-ND2 3.42Å | ||
| 78 | K | 96.5 | Very high | 95.1 | Very high | 141 Ų | 141 | 46.6 Ų | 46.6 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.3 | 179.4 | 72.2 | -176.3 | -178.6 | 179 | 0 | 114.3 | G80 Y112 | K78-G80 VanDerWaalsContact C-N 3.32Å; K78-Y112 HydrophobicContact CB-CD1 4.06Å; K78-Y112 HydrophobicContact CB-CE1 3.54Å |
| 79 | D | 97.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 49 Ų | 49 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -1.5 | -178 | -61.7 | -48.4 | 0 | 0 | 0 | 110.7 | D77 F126 | D77-D79 PolarHBondContact O-N 3.08Å; D77-D79 WeakPolarHBondContact OD1-CA 3.35Å; D77-D79 PolarHBondContact OD1-N 2.9Å; D79-F126 WeakPolarHBondContact O-CD2 3.34Å |
| 80 | G | 96 | Very high | 94.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | 82.7 | 11.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D77 K78 C125 | D77-G80 PolarHBondContact O-N 2.7Å; D77-G80 PolarHBondContact OD1-N 3.02Å; K78-G80 VanDerWaalsContact C-N 3.32Å; G80-C125 WeakPolarHBondContact CA-O 3.3Å; G80-C125 PolarHBondContact O-N 3.14Å | ||
| 81 | N | 97.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | trans | -70.4 | 141.5 | 172.9 | -53.5 | -60.4 | 0 | 0 | 0 | 109.5 | A76 D77 | A76-N81 WeakPolarHBondContact CA-O 3.46Å; D77-N81 PolarHBondContact N-O 2.86Å; D77-N81 VanDerWaalsContact N-O 3.08Å; D77-N81 PolarHBondContact OD1-N 3.49Å; D77-N81 PolarHBondContact OD1-ND2 3.35Å; D77-N81 WeakPolarHBondContact OD2-CB 3.35Å; D77-N81 PolarHBondContact OD2-ND2 3.42Å | ||
| 82 | V | 97.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.4 | -177 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | I37 I74 A75 L116 I123 C125 | I37-V82 HydrophobicContact CB-CG1 4.13Å; I37-V82 HydrophobicContact CG1-CG1 4.09Å; I37-V82 HydrophobicContact CG2-CG1 4.38Å; I74-V82 HydrophobicContact CD1-CG1 3.77Å; I74-V82 HydrophobicContact CG1-CG1 3.68Å; A75-V82 VanDerWaalsContact O-CA 3.3Å; A75-V82 WeakPolarHBondContact O-CA 3.19Å; V82-L116 HydrophobicContact CB-CD1 4.47Å; V82-L116 HydrophobicContact CG1-CD1 4.06Å; V82-L116 HydrophobicContact CG2-CD1 3.62Å; V82-I123 HydrophobicContact CB-CG2 4.43Å; V82-I123 HydrophobicContact CG1-CG2 4.28Å; V82-I123 HydrophobicContact CG2-CG2 4.42Å; V82-C125 HydrophobicContact CG2-CB 3.71Å |
| 83 | T | 94.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 161 | 177 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | I74 A75 D85 | I74-T83 CarbonylContact C-O 3.5Å; I74-T83 WeakPolarHBondContact CA-O 3.21Å; A75-T83 PolarHBondContact N-O 2.92Å; A75-T83 PolarHBondContact O-N 2.79Å; T83-D85 WeakPolarHBondContact CB-OD1 3.4Å; T83-D85 PolarHBondContact OG1-OD1 2.76Å |
| 84 | G | 94.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 29.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F35 R72 | F35-G84 PolarHBondContact O-N 3.36Å; R72-G84 WeakPolarHBondContact CB-O 3.35Å; R72-G84 WeakPolarHBondContact CD-O 3.39Å |
| 85 | D | 94.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -16.7 | -172.9 | 60.7 | -18.5 | 0 | 0 | 0 | 114 | F35 R72 T83 E87 | F35-D85 HydrophobicContact CB-CB 3.61Å; F35-D85 HydrophobicContact CD2-CB 3.58Å; F35-D85 HydrophobicContact CE2-CB 4.39Å; F35-D85 HydrophobicContact CG-CB 3.66Å; R72-D85 PolarHBondContact NH1-O 3.48Å; T83-D85 WeakPolarHBondContact CB-OD1 3.4Å; T83-D85 PolarHBondContact OG1-OD1 2.76Å; D85-E87 PolarHBondContact O-N 2.84Å |
| 86 | S | 93.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 121.7 | -175.2 | -170.6 | 0 | 0 | 0 | 0 | 112.8 | R72 Y73 A88 | R72-S86 CarbonylContact C-O 3.48Å; R72-S86 VanDerWaalsContact CA-O 3.23Å; R72-S86 WeakPolarHBondContact CA-O 3.34Å; R72-S86 WeakPolarHBondContact CB-O 3.43Å; Y73-S86 PolarHBondContact N-O 2.72Å; S86-A88 PolarHBondContact OG-O 3.21Å |
| 87 | E | 92.4 | Very high | 94.1 | Very high | 138 Ų | 138 | 52.5 Ų | 52.5 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -84.4 | -17.7 | 176.5 | -61.4 | -176.5 | 177.8 | 0 | 0 | 112.8 | R72 D85 | R72-E87 IonicContact CZ-OE1 2.83Å; R72-E87 IonicContact NH1-OE1 2.71Å; R72-E87 PolarHBondContact NH1-OE1 2.85Å; R72-E87 IonicContact NH2-OE1 3.23Å; R72-E87 PolarHBondContact NH2-OE1 3.45Å; D85-E87 PolarHBondContact O-N 2.84Å |
| 88 | A | 91.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 53.2 Ų | 53.2 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -122.1 | 148.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S86 G90 | S86-A88 PolarHBondContact OG-O 3.21Å; A88-G90 PolarHBondContact O-N 2.84Å; A88-G90 VanDerWaalsContact O-N 3.11Å |
| 89 | A | 89 | Confident | 93.5 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | trans | -71.1 | 105 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F65 Y73 | F65-A89 HydrophobicContact CD1-CB 3.92Å; F65-A89 HydrophobicContact CD2-CB 4.46Å; F65-A89 HydrophobicContact CE1-CB 3.69Å; F65-A89 HydrophobicContact CE2-CB 4.25Å; F65-A89 HydrophobicContact CG-CB 4.3Å; F65-A89 HydrophobicContact CZ-CB 3.87Å; Y73-A89 HydrophobicContact CE2-CB 4.35Å | ||
| 90 | G | 91.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | trans | -117.1 | 175.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A88 E92 C93 | A88-G90 PolarHBondContact O-N 2.84Å; A88-G90 VanDerWaalsContact O-N 3.11Å; G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 2.88Å; G90-C93 WeakPolarHBondContact O-CB 3.13Å; G90-C93 PolarHBondContact O-N 3.46Å | ||
| 91 | P | 92.8 | Very high | 92.5 | Very high | 84 Ų | 84 | 47 Ų | 47 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -54.4 | -42 | 179.6 | -28.5 | 37.1 | 0 | 0 | 0 | 114.2 | C93 R94 Q111 | P91-C93 PolarHBondContact O-N 2.74Å; P91-R94 WeakPolarHBondContact O-CB 3.43Å; P91-R94 PolarHBondContact O-N 3.47Å; P91-Q111 VanDerWaalsContact C-OE1 3.3Å |
| 92 | E | 95.3 | Very high | 91.8 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -70.4 | -12.6 | 180 | -63.7 | -173.9 | 144.9 | 0 | 0 | 113.4 | A75 A76 G90 Y112 | A75-E92 WeakPolarHBondContact CA-O 3.3Å; A75-E92 HydrophobicContact CB-CB 4.26Å; A76-E92 PolarHBondContact N-O 2.87Å; A76-E92 WeakPolarHBondContact O-CB 3.41Å; G90-E92 VanDerWaalsContact C-N 3.32Å; G90-E92 PolarHBondContact O-N 2.88Å; E92-Y112 HydrophobicContact CG-CE2 4.18Å; E92-Y112 PolarHBondContact OE1-OH 2.87Å |
| 93 | C | 95.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -93.2 | 0.1 | 178.5 | -54.4 | 0 | 0 | 0 | 0 | 113.2 | F65 I74 G90 P91 F95 | F65-C93 HydrophobicContact CD1-CB 3.7Å; F65-C93 VanDerWaalsContact CD1-O 3.28Å; F65-C93 WeakPolarHBondContact CD1-O 3.44Å; F65-C93 HydrophobicContact CE1-CB 4.09Å; I74-C93 WeakPolarHBondContact O-CA 3.47Å; G90-C93 WeakPolarHBondContact O-CB 3.13Å; G90-C93 PolarHBondContact O-N 3.46Å; P91-C93 PolarHBondContact O-N 2.74Å; C93-F95 WeakPolarHBondContact O-CD2 3.23Å |
| 94 | R | 94.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | trans | -89.5 | 119.6 | -173.7 | -66.2 | 172.4 | 67.4 | 108.5 | 0.4 | 110.6 | S55 V63 F65 P91 E110 | S55-R94 PolarHBondContact OG-NH1 3.48Å; V63-R94 HydrophobicContact CG1-CB 3.84Å; V63-R94 HydrophobicContact CG1-CG 4.23Å; F65-R94 HydrophobicContact CD1-CG 4.37Å; F65-R94 HydrophobicContact CE1-CB 4.5Å; F65-R94 HydrophobicContact CE1-CG 3.44Å; F65-R94 VanDerWaalsContact CE1-CG 3.44Å; F65-R94 HydrophobicContact CZ-CG 3.7Å; P91-R94 WeakPolarHBondContact O-CB 3.43Å; P91-R94 PolarHBondContact O-N 3.47Å; R94-E110 HydrophobicContact CB-CB 3.9Å; R94-E110 WeakPolarHBondContact CD-OE2 3.23Å; R94-E110 IonicContact CZ-OE1 2.74Å; R94-E110 IonicContact CZ-OE2 2.7Å; R94-E110 VanDerWaalsContact NE-CD 3.34Å; R94-E110 IonicContact NE-OE1 3.95Å; R94-E110 PolarHBondContact NE-OE1 2.8Å; R94-E110 IonicContact NE-OE2 2.94Å; R94-E110 PolarHBondContact NE-OE2 3.45Å; R94-E110 IonicContact NH2-OE1 3.2Å; R94-E110 PolarHBondContact NH2-OE1 2.86Å; R94-E110 IonicContact NH2-OE2 3.1Å; R94-E110 PolarHBondContact O-N 3.19Å | ||
| 95 | F | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | 178.4 | -69 | -92.1 | 0 | 0 | 0 | 112.2 | V63 F64 L66 I74 A76 C93 L107 Q108 L116 | V63-F95 WeakPolarHBondContact CA-O 3.42Å; F64-F95 PolarHBondContact N-O 2.81Å; F64-F95 PolarHBondContact O-N 2.75Å; L66-F95 HydrophobicContact CD1-CB 4.49Å; I74-F95 HydrophobicContact CG2-CD2 4.15Å; I74-F95 HydrophobicContact CG2-CE2 3.64Å; I74-F95 HydrophobicContact CG2-CZ 4.26Å; A76-F95 HydrophobicContact CB-CE1 4.36Å; A76-F95 HydrophobicContact CB-CZ 3.95Å; C93-F95 WeakPolarHBondContact O-CD2 3.23Å; F95-L107 HydrophobicContact CB-CB 4.46Å; F95-L107 HydrophobicContact CD1-CB 3.97Å; F95-Q108 CarbonylContact C-O 3.6Å; F95-Q108 VanDerWaalsContact CA-O 3.24Å; F95-Q108 WeakPolarHBondContact CA-O 3.45Å; F95-L116 HydrophobicContact CE1-CB 4.34Å |
| 96 | V | 92.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.5 | 167.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | N62 V63 Q108 E110 | N62-V96 WeakPolarHBondContact O-CA 3.22Å; V63-V96 HydrophobicContact CG2-CG2 4.01Å; V96-Q108 HydrophobicContact CB-CB 4.44Å; V96-Q108 PolarHBondContact N-O 2.89Å; V96-Q108 PolarHBondContact O-N 3.46Å; V96-E110 HydrophobicContact CG2-CB 4.22Å; V96-E110 HydrophobicContact CG2-CG 4.26Å |
| 97 | I | 91.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 132.8 | 177.6 | -64.4 | 178.4 | 0 | 0 | 0 | 109.5 | L52 N62 F64 W105 L107 | L52-I97 HydrophobicContact CD1-CD1 3.64Å; L52-I97 HydrophobicContact CD2-CD1 4.35Å; N62-I97 PolarHBondContact ND2-O 3.39Å; N62-I97 PolarHBondContact O-N 2.86Å; F64-I97 HydrophobicContact CB-CD1 4.21Å; F64-I97 HydrophobicContact CD2-CB 4.1Å; F64-I97 HydrophobicContact CD2-CD1 3.63Å; F64-I97 HydrophobicContact CD2-CG1 3.82Å; F64-I97 HydrophobicContact CE2-CB 4.22Å; F64-I97 HydrophobicContact CE2-CD1 4.24Å; F64-I97 HydrophobicContact CE2-CG1 4.42Å; F64-I97 HydrophobicContact CG-CD1 4.07Å; I97-W105 HydrophobicContact CD1-CE3 3.99Å; I97-W105 HydrophobicContact CD1-CZ3 3.86Å; I97-W105 HydrophobicContact CG2-CB 4.22Å; I97-W105 HydrophobicContact CG2-CD2 3.53Å; I97-W105 HydrophobicContact CG2-CE3 3.59Å; I97-W105 HydrophobicContact CG2-CG 3.86Å; I97-W105 HydrophobicContact CG2-CZ3 4.24Å; I97-L107 HydrophobicContact CG1-CD2 4.4Å; I97-L107 HydrophobicContact CG1-CG 4.39Å |
| 98 | T | 90.2 | Very high | 91.5 | Very high | 59 Ų | 59 | 36 Ų | 36 | 36% | 0.362 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.9 | 173.1 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | H100 W105 S106 | T98-H100 PolarHBondContact O-CD2 2.81Å; T98-H100 VanDerWaalsContact O-CD2 3.29Å; T98-H100 PolarHBondContact O-NE2 3.46Å; T98-W105 CarbonylContact O-C 3.59Å; T98-W105 VanDerWaalsContact O-CA 3.26Å; T98-W105 WeakPolarHBondContact O-CA 3.47Å; T98-S106 PolarHBondContact N-O 2.75Å; T98-S106 PolarHBondContact O-N 3.12Å |
| 99 | A | 89.5 | Confident | 91.8 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 148.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R104 T216 R227 | A99-R104 CarbonylContact C-O 3.49Å; A99-T216 HydrophobicContact CB-CG2 4.16Å; A99-R227 PolarHBondContact O-NH1 3.1Å |
| 100 | H | 88.6 | Confident | 92.1 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.162 | 18% | 0.18 | C | C | . | . | trans | -120.7 | 154.7 | -179.2 | -64.6 | -89.2 | 0 | 0 | 0 | 110.7 | T98 D102 G103 R104 S106 T216 | T98-H100 PolarHBondContact O-CD2 2.81Å; T98-H100 VanDerWaalsContact O-CD2 3.29Å; T98-H100 PolarHBondContact O-NE2 3.46Å; H100-D102 VanDerWaalsContact CB-OD1 3.22Å; H100-D102 WeakPolarHBondContact CB-OD1 3.38Å; H100-D102 PolarHBondContact O-N 2.79Å; H100-D102 VanDerWaalsContact O-N 3.12Å; H100-G103 PolarHBondContact O-N 2.79Å; H100-R104 WeakPolarHBondContact CB-O 3.42Å; H100-R104 PolarHBondContact CD2-O 2.93Å; H100-R104 PolarHBondContact N-O 3.42Å; H100-S106 WeakPolarHBondContact NE2-CB 3.18Å; H100-S106 PolarHBondContact NE2-N 3Å; H100-S106 PolarHBondContact NE2-OG 2.93Å; H100-T216 PolarHBondContact O-OG1 3.49Å | ||
| 101 | D | 82.6 | Confident | 92.2 | Very high | 73 Ų | 73 | 37.3 Ų | 37.3 | 39% | 0.39 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -11.6 | -178.8 | -55.9 | -28.3 | 0 | 0 | 0 | 113.3 | R188 R227 G231 | D101-R188 PolarHBondContact O-NH2 2.66Å; D101-R227 IonicContact OD1-CZ 2.74Å; D101-R227 VanDerWaalsContact OD1-CZ 3.23Å; D101-R227 IonicContact OD1-NE 2.69Å; D101-R227 PolarHBondContact OD1-NE 2.93Å; D101-R227 IonicContact OD1-NH2 3.67Å; D101-R227 PolarHBondContact OD1-NH2 2.83Å; D101-G231 WeakPolarHBondContact OD1-CA 3.16Å; D101-G231 PolarHBondContact OD1-N 2.95Å |
| 102 | D | 84.1 | Confident | 92.4 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.5 | 178.8 | 66.2 | 1.1 | 0 | 0 | 0 | 114 | H100 R104 K135 R188 | H100-D102 VanDerWaalsContact CB-OD1 3.22Å; H100-D102 WeakPolarHBondContact CB-OD1 3.38Å; H100-D102 PolarHBondContact O-N 2.79Å; H100-D102 VanDerWaalsContact O-N 3.12Å; D102-R104 WeakPolarHBondContact OD1-CB 3.36Å; D102-R104 PolarHBondContact OD1-N 2.79Å; D102-K135 IonicContact OD1-NZ 3.43Å; D102-K135 WeakPolarHBondContact OD2-CD 3.42Å; D102-K135 IonicContact OD2-NZ 2.8Å; D102-K135 PolarHBondContact OD2-NZ 2.74Å; D102-R188 PolarHBondContact O-NE 2.92Å; D102-R188 PolarHBondContact O-NH2 3.11Å; D102-R188 VanDerWaalsContact O-NH2 3.09Å |
| 103 | G | 83.8 | Confident | 92.5 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 111.5 | -6.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H100 T216 | H100-G103 PolarHBondContact O-N 2.79Å; G103-T216 WeakPolarHBondContact CA-OG1 3.39Å |
| 104 | R | 92.1 | Very high | 92.6 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.249 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 168.3 | -166.1 | -60.3 | 179.9 | -169.4 | 146.7 | 3.5 | 112.7 | A99 H100 D102 K135 W136 | A99-R104 CarbonylContact C-O 3.49Å; H100-R104 WeakPolarHBondContact CB-O 3.42Å; H100-R104 PolarHBondContact CD2-O 2.93Å; H100-R104 PolarHBondContact N-O 3.42Å; D102-R104 WeakPolarHBondContact OD1-CB 3.36Å; D102-R104 PolarHBondContact OD1-N 2.79Å; R104-K135 HydrophobicContact CB-CB 4.01Å; R104-W136 CarbonylContact C-O 3.52Å; R104-W136 VanDerWaalsContact CA-O 3.28Å; R104-W136 WeakPolarHBondContact CA-O 3.46Å; R104-W136 WeakPolarHBondContact CB-O 3.38Å |
| 105 | W | 94.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 152 | 172.5 | -69.5 | 2.4 | 0 | 0 | 0 | 111.2 | F18 L20 I97 T98 K135 W136 V138 L217 F219 | F18-W105 HydrophobicContact CE2-CZ3 4.17Å; L20-W105 HydrophobicContact CD2-CE3 4.31Å; I97-W105 HydrophobicContact CD1-CE3 3.99Å; I97-W105 HydrophobicContact CD1-CZ3 3.86Å; I97-W105 HydrophobicContact CG2-CB 4.22Å; I97-W105 HydrophobicContact CG2-CD2 3.53Å; I97-W105 HydrophobicContact CG2-CE3 3.59Å; I97-W105 HydrophobicContact CG2-CG 3.86Å; I97-W105 HydrophobicContact CG2-CZ3 4.24Å; T98-W105 CarbonylContact O-C 3.59Å; T98-W105 VanDerWaalsContact O-CA 3.26Å; T98-W105 WeakPolarHBondContact O-CA 3.47Å; W105-K135 CarbonylContact O-C 3.59Å; W105-K135 VanDerWaalsContact O-CA 3.32Å; W105-K135 WeakPolarHBondContact O-CA 3.23Å; W105-W136 PolarHBondContact N-O 3.43Å; W105-W136 PolarHBondContact O-N 3.08Å; W105-V138 HydrophobicContact CD2-CG2 3.22Å; W105-V138 HydrophobicContact CE3-CG2 3.31Å; W105-V138 HydrophobicContact CG-CG2 3.8Å; W105-V138 HydrophobicContact CH2-CB 4.33Å; W105-V138 HydrophobicContact CH2-CG1 3.93Å; W105-V138 HydrophobicContact CH2-CG2 3.58Å; W105-V138 HydrophobicContact CZ2-CB 4.28Å; W105-V138 HydrophobicContact CZ2-CG1 4.2Å; W105-V138 HydrophobicContact CZ2-CG2 3.58Å; W105-V138 HydrophobicContact CZ3-CG1 4.36Å; W105-V138 HydrophobicContact CZ3-CG2 3.48Å; W105-V138 VanDerWaalsContact CZ3-CG2 3.48Å; W105-L217 VanDerWaalsContact CE2-O 3.27Å; W105-L217 VanDerWaalsContact CZ2-O 3.24Å; W105-L217 WeakPolarHBondContact CZ2-O 3.35Å; W105-L217 PolarHBondContact NE1-O 3.28Å; W105-F219 AromaticContact CH2-CD2 3.39Å; W105-F219 HydrophobicContact CH2-CD2 3.39Å; W105-F219 AromaticContact CH2-CE2 3.53Å; W105-F219 HydrophobicContact CH2-CE2 3.53Å; W105-F219 AromaticContact CZ2-CD2 3.69Å; W105-F219 HydrophobicContact CZ2-CD2 3.69Å; W105-F219 AromaticContact CZ2-CE2 3.8Å; W105-F219 HydrophobicContact CZ2-CE2 3.8Å |
| 106 | S | 95.9 | Very high | 93 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.8 | 157 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | T98 H100 E134 | T98-S106 PolarHBondContact N-O 2.75Å; T98-S106 PolarHBondContact O-N 3.12Å; H100-S106 WeakPolarHBondContact NE2-CB 3.18Å; H100-S106 PolarHBondContact NE2-N 3Å; H100-S106 PolarHBondContact NE2-OG 2.93Å; S106-E134 WeakPolarHBondContact CA-O 3.43Å |
| 107 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.3 | 176 | -57.8 | 93.2 | 0 | 0 | 0 | 108.4 | L20 L66 F95 I97 Y115 L116 W136 | L20-L107 HydrophobicContact CD1-CD1 4.22Å; L20-L107 HydrophobicContact CD1-CD2 4.29Å; L66-L107 HydrophobicContact CD1-CD2 3.73Å; L66-L107 HydrophobicContact CD2-CD2 3.54Å; L66-L107 HydrophobicContact CG-CD2 4.31Å; F95-L107 HydrophobicContact CB-CB 4.46Å; F95-L107 HydrophobicContact CD1-CB 3.97Å; I97-L107 HydrophobicContact CG1-CD2 4.4Å; I97-L107 HydrophobicContact CG1-CG 4.39Å; L107-Y115 WeakPolarHBondContact O-CA 3.28Å; L107-L116 HydrophobicContact CB-CB 4.2Å; L107-L116 HydrophobicContact CB-CD2 4.41Å; L107-L116 PolarHBondContact O-N 2.78Å; L107-W136 HydrophobicContact CD1-CB 4.38Å; L107-W136 VanDerWaalsContact CD1-CD1 3.47Å; L107-W136 HydrophobicContact CD1-CG 3.98Å |
| 108 | Q | 97.1 | Very high | 93.5 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.2 | 177.8 | -167 | 179.7 | 21.9 | 0 | 0 | 109.4 | F95 V96 E110 G113 R114 Y115 | F95-Q108 CarbonylContact C-O 3.6Å; F95-Q108 VanDerWaalsContact CA-O 3.24Å; F95-Q108 WeakPolarHBondContact CA-O 3.45Å; V96-Q108 HydrophobicContact CB-CB 4.44Å; V96-Q108 PolarHBondContact N-O 2.89Å; V96-Q108 PolarHBondContact O-N 3.46Å; Q108-E110 PolarHBondContact O-N 3.31Å; Q108-G113 VanDerWaalsContact NE2-C 3.34Å; Q108-G113 PolarHBondContact NE2-O 3.45Å; Q108-R114 CarbonylContact C-O 3.59Å; Q108-R114 VanDerWaalsContact CA-O 3.31Å; Q108-R114 WeakPolarHBondContact CA-O 3.43Å; Q108-Y115 HydrophobicContact CB-CD1 3.74Å; Q108-Y115 HydrophobicContact CB-CE1 3.59Å; Q108-Y115 HydrophobicContact CG-CD1 4.04Å; Q108-Y115 HydrophobicContact CG-CE1 3.8Å; Q108-Y115 HydrophobicContact CG-CE2 4.45Å; Q108-Y115 HydrophobicContact CG-CG 4.47Å; Q108-Y115 PolarHBondContact NE2-OH 2.99Å |
| 109 | S | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 121.4 | 167.2 | 169.6 | 0 | 0 | 0 | 0 | 108.9 | Q111 Y112 G113 R114 | S109-Q111 VanDerWaalsContact C-N 3.28Å; S109-Q111 PolarHBondContact O-N 2.8Å; S109-Y112 WeakPolarHBondContact OG-CD2 3.48Å; S109-Y112 PolarHBondContact OG-N 3.37Å; S109-G113 WeakPolarHBondContact O-CA 3.46Å; S109-G113 PolarHBondContact O-N 3.01Å; S109-R114 PolarHBondContact N-O 3.25Å |
| 110 | E | 95.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 36.7 Ų | 36.7 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -39.6 | 179.9 | -172.2 | -156 | -124.6 | 0 | 0 | 110.5 | V63 R94 V96 Q108 | V63-E110 HydrophobicContact CG2-CG 4.35Å; V63-E110 WeakPolarHBondContact CG2-OE1 3.41Å; R94-E110 HydrophobicContact CB-CB 3.9Å; R94-E110 WeakPolarHBondContact CD-OE2 3.23Å; R94-E110 IonicContact CZ-OE1 2.74Å; R94-E110 IonicContact CZ-OE2 2.7Å; R94-E110 VanDerWaalsContact NE-CD 3.34Å; R94-E110 IonicContact NE-OE1 3.95Å; R94-E110 PolarHBondContact NE-OE1 2.8Å; R94-E110 IonicContact NE-OE2 2.94Å; R94-E110 PolarHBondContact NE-OE2 3.45Å; R94-E110 IonicContact NH2-OE1 3.2Å; R94-E110 PolarHBondContact NH2-OE1 2.86Å; R94-E110 IonicContact NH2-OE2 3.1Å; R94-E110 PolarHBondContact O-N 3.19Å; V96-E110 HydrophobicContact CG2-CB 4.22Å; V96-E110 HydrophobicContact CG2-CG 4.26Å; Q108-E110 PolarHBondContact O-N 3.31Å |
| 111 | Q | 94.2 | Very high | 94.4 | Very high | 93 Ų | 93 | 41 Ų | 41 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -39.3 | -176.8 | -173.7 | 172.2 | -3.1 | 0 | 0 | 113.2 | P91 S109 | P91-Q111 VanDerWaalsContact C-OE1 3.3Å; S109-Q111 VanDerWaalsContact C-N 3.28Å; S109-Q111 PolarHBondContact O-N 2.8Å |
| 112 | Y | 96.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 45.4 Ų | 45.4 | 25% | 0.247 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -8.3 | -171.2 | -56.4 | -61.9 | 0 | 0 | 0 | 114.4 | A76 K78 E92 S109 R114 | A76-Y112 WeakPolarHBondContact O-CE2 3.13Å; K78-Y112 HydrophobicContact CB-CD1 4.06Å; K78-Y112 HydrophobicContact CB-CE1 3.54Å; E92-Y112 HydrophobicContact CG-CE2 4.18Å; E92-Y112 PolarHBondContact OE1-OH 2.87Å; S109-Y112 WeakPolarHBondContact OG-CD2 3.48Å; S109-Y112 PolarHBondContact OG-N 3.37Å; Y112-R114 PolarHBondContact O-N 2.93Å |
| 113 | G | 96.3 | Very high | 95.7 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | trans | 64.5 | 18.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q108 S109 | Q108-G113 VanDerWaalsContact NE2-C 3.34Å; Q108-G113 PolarHBondContact NE2-O 3.45Å; S109-G113 WeakPolarHBondContact O-CA 3.46Å; S109-G113 PolarHBondContact O-N 3.01Å | ||
| 114 | R | 98.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -102.4 | 151.7 | -179.7 | -59.1 | -53.9 | -177.6 | 106.5 | 5.6 | 111.7 | Q108 S109 Y112 C125 F126 A127 | Q108-R114 CarbonylContact C-O 3.59Å; Q108-R114 VanDerWaalsContact CA-O 3.31Å; Q108-R114 WeakPolarHBondContact CA-O 3.43Å; S109-R114 PolarHBondContact N-O 3.25Å; Y112-R114 PolarHBondContact O-N 2.93Å; R114-C125 WeakPolarHBondContact CB-O 3.31Å; R114-C125 PolarHBondContact O-SG 3.32Å; R114-F126 WeakPolarHBondContact CD-O 3.27Å; R114-F126 PolarHBondContact NH1-O 2.69Å; R114-A127 CarbonylContact C-O 3.53Å; R114-A127 VanDerWaalsContact CA-O 3.3Å; R114-A127 WeakPolarHBondContact CA-O 3.34Å |
| 115 | Y | 98.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.2 | -176.4 | -64 | -83.1 | 0 | 0 | 0 | 112.6 | L107 Q108 C125 A127 V130 | L107-Y115 WeakPolarHBondContact O-CA 3.28Å; Q108-Y115 HydrophobicContact CB-CD1 3.74Å; Q108-Y115 HydrophobicContact CB-CE1 3.59Å; Q108-Y115 HydrophobicContact CG-CD1 4.04Å; Q108-Y115 HydrophobicContact CG-CE1 3.8Å; Q108-Y115 HydrophobicContact CG-CE2 4.45Å; Q108-Y115 HydrophobicContact CG-CG 4.47Å; Q108-Y115 PolarHBondContact NE2-OH 2.99Å; Y115-C125 WeakPolarHBondContact O-CA 3.32Å; Y115-A127 WeakPolarHBondContact CD2-O 3.48Å; Y115-A127 PolarHBondContact N-O 3.02Å; Y115-V130 HydrophobicContact CD1-CG2 3.49Å; Y115-V130 VanDerWaalsContact CD1-CG2 3.49Å; Y115-V130 HydrophobicContact CD2-CG2 3.99Å; Y115-V130 HydrophobicContact CE1-CG2 3.41Å; Y115-V130 VanDerWaalsContact CE1-CG2 3.41Å; Y115-V130 HydrophobicContact CE2-CG2 3.94Å; Y115-V130 HydrophobicContact CG-CG2 3.77Å |
| 116 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 123.5 | 174.4 | 179.4 | 70.8 | 0 | 0 | 0 | 110.4 | I74 V82 F95 L107 I123 I124 C125 W136 | I74-L116 HydrophobicContact CD1-CD1 4.34Å; I74-L116 HydrophobicContact CD1-CD2 3.77Å; V82-L116 HydrophobicContact CB-CD1 4.47Å; V82-L116 HydrophobicContact CG1-CD1 4.06Å; V82-L116 HydrophobicContact CG2-CD1 3.62Å; F95-L116 HydrophobicContact CE1-CB 4.34Å; L107-L116 HydrophobicContact CB-CB 4.2Å; L107-L116 HydrophobicContact CB-CD2 4.41Å; L107-L116 PolarHBondContact O-N 2.78Å; L116-I123 HydrophobicContact CD1-CG2 3.71Å; L116-I124 WeakPolarHBondContact CA-O 3.39Å; L116-C125 HydrophobicContact CB-CB 4.4Å; L116-C125 HydrophobicContact CD1-CB 4.14Å; L116-W136 PolarHBondContact O-NE1 3.2Å |
| 117 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I124 A133 | G117-I124 PolarHBondContact N-O 3.04Å; G117-I124 PolarHBondContact O-N 2.93Å; G117-I124 VanDerWaalsContact O-O 3.06Å; G117-A133 WeakPolarHBondContact CA-O 3.35Å |
| 118 | G | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132.7 | -175.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N22 R122 A133 | N22-G118 PolarHBondContact ND2-O 3.5Å; G118-R122 WeakPolarHBondContact CA-O 3.44Å; G118-A133 PolarHBondContact N-O 2.79Å; G118-A133 VanDerWaalsContact N-O 3.1Å |
| 119 | T | 96.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.8 | -175.8 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | D121 R122 | T119-D121 PolarHBondContact O-N 2.82Å; T119-R122 PolarHBondContact O-N 2.77Å |
| 120 | E | 95.8 | Very high | 97 | Very high | 73 Ų | 73 | 61.7 Ų | 61.7 | 34% | 0.341 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | 52.9 | -129.2 | 178.1 | -56.4 | -61.8 | 154 | 0 | 0 | 110.9 | N38 A39 S40 R122 | N38-E120 CarbonylContact C-O 3.48Å; N38-E120 VanDerWaalsContact CA-O 3.32Å; N38-E120 WeakPolarHBondContact CA-O 3.48Å; N38-E120 VanDerWaalsContact CB-O 3.31Å; N38-E120 WeakPolarHBondContact CB-O 3.39Å; A39-E120 PolarHBondContact N-O 3.29Å; A39-E120 WeakPolarHBondContact O-CA 3.37Å; A39-E120 PolarHBondContact O-N 2.74Å; S40-E120 VanDerWaalsContact CA-OE2 3.28Å; S40-E120 WeakPolarHBondContact CA-OE2 3.49Å; S40-E120 WeakPolarHBondContact CB-OE2 3.42Å; S40-E120 WeakPolarHBondContact OG-CA 3.45Å; S40-E120 PolarHBondContact OG-OE2 3.5Å; E120-R122 VanDerWaalsContact C-N 3.27Å; E120-R122 PolarHBondContact O-N 2.78Å |
| 121 | D | 95.2 | Very high | 97 | Very high | 126 Ų | 126 | 60.8 Ų | 60.8 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0.2 | 179 | 63.6 | -28.6 | 0 | 0 | 0 | 114.6 | T119 I123 | T119-D121 PolarHBondContact O-N 2.82Å; D121-I123 PolarHBondContact O-N 3.29Å |
| 122 | R | 96 | Very high | 97 | Very high | 165 Ų | 165 | 60.6 Ų | 60.6 | 62% | 0.623 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 58.3 | -176.6 | -60.8 | 175.9 | -64 | -179.4 | 2.1 | 111.3 | G118 T119 E120 | G118-R122 WeakPolarHBondContact CA-O 3.44Å; T119-R122 PolarHBondContact O-N 2.77Å; E120-R122 VanDerWaalsContact C-N 3.27Å; E120-R122 PolarHBondContact O-N 2.78Å |
| 123 | I | 97.8 | Very high | 97 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123 | 172 | -60.1 | -54.2 | 0 | 0 | 0 | 109.3 | L28 I37 A39 V82 L116 D121 W136 | L28-I123 HydrophobicContact CD1-CG2 4.45Å; I37-I123 HydrophobicContact CG2-CB 4.46Å; I37-I123 HydrophobicContact CG2-CG2 4.09Å; A39-I123 HydrophobicContact CB-CD1 3.83Å; A39-I123 HydrophobicContact CB-CG1 4.43Å; V82-I123 HydrophobicContact CB-CG2 4.43Å; V82-I123 HydrophobicContact CG1-CG2 4.28Å; V82-I123 HydrophobicContact CG2-CG2 4.42Å; L116-I123 HydrophobicContact CD1-CG2 3.71Å; D121-I123 PolarHBondContact O-N 3.29Å; I123-W136 HydrophobicContact CD1-CH2 3.87Å; I123-W136 HydrophobicContact CD1-CZ2 4.35Å |
| 124 | I | 97.8 | Very high | 97.1 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 45% | 0.451 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.6 | -179.2 | 61.8 | 169.2 | 0 | 0 | 0 | 110.5 | L116 G117 F126 | L116-I124 WeakPolarHBondContact CA-O 3.39Å; G117-I124 PolarHBondContact N-O 3.04Å; G117-I124 PolarHBondContact O-N 2.93Å; G117-I124 VanDerWaalsContact O-O 3.06Å; I124-F126 HydrophobicContact CD1-CB 4.4Å |
| 125 | C | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 63.3 | 176.5 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | A76 G80 V82 R114 Y115 L116 | A76-C125 HydrophobicContact CB-CB 3.55Å; G80-C125 WeakPolarHBondContact CA-O 3.3Å; G80-C125 PolarHBondContact O-N 3.14Å; V82-C125 HydrophobicContact CG2-CB 3.71Å; R114-C125 WeakPolarHBondContact CB-O 3.31Å; R114-C125 PolarHBondContact O-SG 3.32Å; Y115-C125 WeakPolarHBondContact O-CA 3.32Å; L116-C125 HydrophobicContact CB-CB 4.4Å; L116-C125 HydrophobicContact CD1-CB 4.14Å |
| 126 | F | 98.1 | Very high | 97 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | -7.8 | -173.8 | -157 | -113.4 | 0 | 0 | 0 | 114.7 | D79 R114 I124 Q128 | D79-F126 WeakPolarHBondContact O-CD2 3.34Å; R114-F126 WeakPolarHBondContact CD-O 3.27Å; R114-F126 PolarHBondContact NH1-O 2.69Å; I124-F126 HydrophobicContact CD1-CB 4.4Å; F126-Q128 PolarHBondContact O-N 2.82Å |
| 127 | A | 97.6 | Very high | 96.8 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | R114 Y115 E134 | R114-A127 CarbonylContact C-O 3.53Å; R114-A127 VanDerWaalsContact CA-O 3.3Å; R114-A127 WeakPolarHBondContact CA-O 3.34Å; Y115-A127 WeakPolarHBondContact CD2-O 3.48Å; Y115-A127 PolarHBondContact N-O 3.02Å; A127-E134 HydrophobicContact CB-CG 3.81Å |
| 128 | Q | 96.9 | Very high | 96.5 | Very high | 141 Ų | 141 | 56 Ų | 56 | 66% | 0.659 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -85.5 | -21.2 | 176.2 | -65.6 | -177.9 | 20.1 | 0 | 0 | 112.6 | F126 | F126-Q128 PolarHBondContact O-N 2.82Š|
| 129 | T | 96.8 | Very high | 96.3 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 67% | 0.669 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -133.5 | 152.6 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | S131 | T129-S131 PolarHBondContact O-N 2.6Š|
| 130 | V | 97.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 29% | 0.285 | 28% | 0.28 | S | S | . | . | trans | -79.9 | 116.7 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | Y115 E134 K135 | Y115-V130 HydrophobicContact CD1-CG2 3.49Å; Y115-V130 VanDerWaalsContact CD1-CG2 3.49Å; Y115-V130 HydrophobicContact CD2-CG2 3.99Å; Y115-V130 HydrophobicContact CE1-CG2 3.41Å; Y115-V130 VanDerWaalsContact CE1-CG2 3.41Å; Y115-V130 HydrophobicContact CE2-CG2 3.94Å; Y115-V130 HydrophobicContact CG-CG2 3.77Å; V130-E134 HydrophobicContact CG1-CB 4.21Å; V130-K135 HydrophobicContact CG1-CD 4.38Å; V130-K135 HydrophobicContact CG1-CG 3.74Å | ||
| 131 | S | 95.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 50.1 Ų | 50.1 | 41% | 0.413 | 27% | 0.265 | S | S | . | . | trans | -101.8 | -169.9 | 165.1 | 84.8 | 0 | 0 | 0 | 0 | 110.7 | T129 A133 E134 | T129-S131 PolarHBondContact O-N 2.6Å; S131-A133 PolarHBondContact O-N 2.81Å; S131-A133 PolarHBondContact OG-N 3.01Å; S131-A133 VanDerWaalsContact OG-N 3.1Å; S131-E134 WeakPolarHBondContact CA-OE2 3.32Å; S131-E134 VanDerWaalsContact CB-OE2 3.24Å; S131-E134 WeakPolarHBondContact CB-OE2 3.35Å; S131-E134 PolarHBondContact N-OE2 2.65Å; S131-E134 PolarHBondContact O-N 3.2Å; S131-E134 PolarHBondContact OG-OE2 3Å | ||
| 132 | V | 95.1 | Very high | 94.8 | Very high | 89 Ų | 89 | 45 Ų | 45 | 54% | 0.539 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.2 | -29.1 | 172.4 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | C23 E134 K135 | C23-V132 HydrophobicContact CB-CG1 3.7Å; C23-V132 WeakPolarHBondContact CB-O 3.39Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 2.6Å; V132-K135 PolarHBondContact O-N 3.5Å |
| 133 | A | 96.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -72.5 | -22.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | G117 G118 S131 | G117-A133 WeakPolarHBondContact CA-O 3.35Å; G118-A133 PolarHBondContact N-O 2.79Å; G118-A133 VanDerWaalsContact N-O 3.1Å; S131-A133 PolarHBondContact O-N 2.81Å; S131-A133 PolarHBondContact OG-N 3.01Å; S131-A133 VanDerWaalsContact OG-N 3.1Å |
| 134 | E | 97.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -96.7 | 8.1 | 179.1 | -67.7 | 65.9 | -123.6 | 0 | 0 | 112.5 | S106 A127 V130 S131 V132 | S106-E134 WeakPolarHBondContact CA-O 3.43Å; A127-E134 HydrophobicContact CB-CG 3.81Å; V130-E134 HydrophobicContact CG1-CB 4.21Å; S131-E134 WeakPolarHBondContact CA-OE2 3.32Å; S131-E134 VanDerWaalsContact CB-OE2 3.24Å; S131-E134 WeakPolarHBondContact CB-OE2 3.35Å; S131-E134 PolarHBondContact N-OE2 2.65Å; S131-E134 PolarHBondContact O-N 3.2Å; S131-E134 PolarHBondContact OG-OE2 3Å; V132-E134 VanDerWaalsContact C-N 3.33Å; V132-E134 PolarHBondContact O-N 2.6Å |
| 135 | K | 96.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | trans | -104.4 | 127.8 | 178.9 | -74.5 | -177.5 | 169.3 | -169.5 | 0 | 111.6 | D102 R104 W105 V130 V132 | D102-K135 IonicContact OD1-NZ 3.43Å; D102-K135 WeakPolarHBondContact OD2-CD 3.42Å; D102-K135 IonicContact OD2-NZ 2.8Å; D102-K135 PolarHBondContact OD2-NZ 2.74Å; R104-K135 HydrophobicContact CB-CB 4.01Å; W105-K135 CarbonylContact O-C 3.59Å; W105-K135 VanDerWaalsContact O-CA 3.32Å; W105-K135 WeakPolarHBondContact O-CA 3.23Å; V130-K135 HydrophobicContact CG1-CD 4.38Å; V130-K135 HydrophobicContact CG1-CG 3.74Å; V132-K135 PolarHBondContact O-N 3.5Å | ||
| 136 | W | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.9 | -175 | -59 | 85.4 | 0 | 0 | 0 | 111 | L20 I21 N22 L28 A39 R104 W105 L107 L116 I123 | L20-W136 HydrophobicContact CB-CB 4.32Å; L20-W136 HydrophobicContact CB-CD2 4.36Å; L20-W136 HydrophobicContact CB-CE3 3.78Å; L20-W136 HydrophobicContact CB-CZ3 4.49Å; L20-W136 HydrophobicContact CD2-CB 3.92Å; I21-W136 CarbonylContact O-C 3.56Å; I21-W136 VanDerWaalsContact O-CA 3.28Å; I21-W136 WeakPolarHBondContact O-CA 3.41Å; N22-W136 HydrophobicContact CB-CD2 4.5Å; N22-W136 HydrophobicContact CB-CE3 3.8Å; N22-W136 HydrophobicContact CB-CH2 3.84Å; N22-W136 HydrophobicContact CB-CZ3 3.46Å; N22-W136 VanDerWaalsContact CB-CZ3 3.46Å; L28-W136 HydrophobicContact CB-CE3 4.47Å; L28-W136 HydrophobicContact CB-CH2 4.44Å; L28-W136 HydrophobicContact CB-CZ3 3.85Å; L28-W136 HydrophobicContact CD1-CH2 3.75Å; L28-W136 HydrophobicContact CD1-CZ2 4.49Å; L28-W136 HydrophobicContact CD1-CZ3 4.04Å; L28-W136 HydrophobicContact CG-CZ3 4.47Å; A39-W136 HydrophobicContact CB-CH2 4.14Å; A39-W136 HydrophobicContact CB-CZ3 4.18Å; R104-W136 CarbonylContact C-O 3.52Å; R104-W136 VanDerWaalsContact CA-O 3.28Å; R104-W136 WeakPolarHBondContact CA-O 3.46Å; R104-W136 WeakPolarHBondContact CB-O 3.38Å; W105-W136 PolarHBondContact N-O 3.43Å; W105-W136 PolarHBondContact O-N 3.08Å; L107-W136 HydrophobicContact CD1-CB 4.38Å; L107-W136 VanDerWaalsContact CD1-CD1 3.47Å; L107-W136 HydrophobicContact CD1-CG 3.98Å; L116-W136 PolarHBondContact O-NE1 3.2Å; I123-W136 HydrophobicContact CD1-CH2 3.87Å; I123-W136 HydrophobicContact CD1-CZ2 4.35Å |
| 137 | S | 94 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.4 | 172.6 | -39.3 | 0 | 0 | 0 | 0 | 109.2 | L20 I21 Q187 | L20-S137 WeakPolarHBondContact CA-O 3.17Å; I21-S137 PolarHBondContact N-O 2.61Å; I21-S137 PolarHBondContact O-N 3.1Å; S137-Q187 VanDerWaalsContact CB-OE1 3.22Å; S137-Q187 WeakPolarHBondContact OG-CB 3.26Å; S137-Q187 WeakPolarHBondContact OG-CG 3.42Å; S137-Q187 PolarHBondContact OG-OE1 3.18Å |
| 138 | V | 92.6 | Very high | 94 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.2 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | F18 L20 W105 F184 Y189 F219 | F18-V138 HydrophobicContact CB-CG1 4.02Å; F18-V138 HydrophobicContact CD2-CG1 3.97Å; F18-V138 HydrophobicContact CG-CG1 4.19Å; L20-V138 HydrophobicContact CD2-CG2 3.86Å; W105-V138 HydrophobicContact CD2-CG2 3.22Å; W105-V138 HydrophobicContact CE3-CG2 3.31Å; W105-V138 HydrophobicContact CG-CG2 3.8Å; W105-V138 HydrophobicContact CH2-CB 4.33Å; W105-V138 HydrophobicContact CH2-CG1 3.93Å; W105-V138 HydrophobicContact CH2-CG2 3.58Å; W105-V138 HydrophobicContact CZ2-CB 4.28Å; W105-V138 HydrophobicContact CZ2-CG1 4.2Å; W105-V138 HydrophobicContact CZ2-CG2 3.58Å; W105-V138 HydrophobicContact CZ3-CG1 4.36Å; W105-V138 HydrophobicContact CZ3-CG2 3.48Å; W105-V138 VanDerWaalsContact CZ3-CG2 3.48Å; V138-F184 WeakPolarHBondContact O-CE2 3.38Å; V138-Y189 WeakPolarHBondContact O-CE2 3.36Å; V138-F219 HydrophobicContact CG1-CE2 4.34Å |
| 139 | H | 91.7 | Very high | 94 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 102.7 | 178.6 | -170.8 | -141.1 | 0 | 0 | 0 | 109.7 | F18 G19 I21 Y27 A141 F184 Y189 S412 | F18-H139 CarbonylContact C-O 3.49Å; F18-H139 VanDerWaalsContact CA-O 3.23Å; F18-H139 WeakPolarHBondContact CA-O 3.34Å; F18-H139 WeakPolarHBondContact CB-O 3.31Å; G19-H139 PolarHBondContact N-O 2.83Å; G19-H139 PolarHBondContact O-N 2.87Å; I21-H139 HydrophobicContact CD1-CB 3.99Å; Y27-H139 HydrophobicContact CE1-CB 4.17Å; Y27-H139 AromaticContact CE1-ND1 3.85Å; Y27-H139 AromaticContact CZ-ND1 3.8Å; Y27-H139 PolarHBondContact OH-CE1 2.88Å; Y27-H139 PolarHBondContact OH-ND1 2.89Å; H139-A141 PolarHBondContact O-N 2.91Å; H139-F184 HydrophobicContact CB-CE1 4.47Å; H139-F184 HydrophobicContact CB-CZ 4.25Å; H139-F184 AromaticContact CD2-CD1 3.45Å; H139-F184 VanDerWaalsContact CD2-CD1 3.45Å; H139-F184 WeakPolarHBondContact CD2-CD1 3.23Å; H139-F184 AromaticContact CD2-CD2 3.99Å; H139-F184 AromaticContact CD2-CE1 3.73Å; H139-F184 AromaticContact CD2-CG 3.55Å; H139-F184 AromaticContact NE2-CD1 3.69Å; H139-F184 AromaticContact NE2-CG 3.98Å; H139-Y189 WeakPolarHBondContact CA-OH 3.5Å; H139-Y189 PolarHBondContact CD2-OH 3.02Å; H139-S412 PolarHBondContact CE1-O 2.81Å |
| 140 | I | 89.3 | Confident | 94.1 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 136.6 | 179.4 | 76.2 | -169.5 | 0 | 0 | 0 | 110.7 | M142 L182 Y189 L217 F219 | I140-M142 HydrophobicContact CB-CG 4.13Å; I140-M142 HydrophobicContact CD1-CG 3.87Å; I140-M142 HydrophobicContact CG1-CG 4.02Å; I140-L182 HydrophobicContact CD1-CB 4.41Å; I140-L182 HydrophobicContact CD1-CD1 3.83Å; I140-Y189 HydrophobicContact CD1-CE1 3.81Å; I140-Y189 HydrophobicContact CG1-CE1 4.06Å; I140-Y189 WeakPolarHBondContact CG1-OH 3.24Å; I140-Y189 HydrophobicContact CG2-CE2 4.23Å; I140-Y189 PolarHBondContact N-OH 2.84Å; I140-L217 HydrophobicContact CG2-CD1 3.63Å; I140-F219 HydrophobicContact CG2-CZ 4.4Å |
| 141 | A | 84.9 | Confident | 94 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | trans | -101.6 | 13.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q17 M44 I49 H139 R392 | Q17-A141 HydrophobicContact CB-CB 3.99Å; Q17-A141 PolarHBondContact O-N 3.39Å; M44-A141 HydrophobicContact CE-CB 3.76Å; M44-A141 HydrophobicContact SD-CB 4.1Å; I49-A141 HydrophobicContact CD1-CB 4.43Å; I49-A141 HydrophobicContact CG1-CB 4.24Å; H139-A141 PolarHBondContact O-N 2.91Å; A141-R392 PolarHBondContact O-NH1 3.36Å | ||
| 142 | M | 82.1 | Confident | 94 | Very high | 19 Ų | 19 | 17.8 Ų | 17.8 | 9% | 0.094 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -89 | 164.6 | 168.3 | 68 | -178.8 | 66.3 | 0 | 0 | 110.7 | L14 I16 I140 L259 | L14-M142 HydrophobicContact CD2-CB 4.38Å; L14-M142 HydrophobicContact CD2-CE 4.16Å; L14-M142 HydrophobicContact CD2-SD 4.36Å; I16-M142 HydrophobicContact CG1-CE 4.3Å; I16-M142 HydrophobicContact CG2-CE 4.38Å; I140-M142 HydrophobicContact CB-CG 4.13Å; I140-M142 HydrophobicContact CD1-CG 3.87Å; I140-M142 HydrophobicContact CG1-CG 4.02Å; M142-L259 HydrophobicContact SD-CD1 4.33Å |
| 143 | H | 89.8 | Confident | 94.1 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | trans | -60.8 | 132.6 | 171.5 | -162.8 | -92.8 | 0 | 0 | 0 | 110.4 | Q145 V390 E497 Y498 | H143-Q145 VanDerWaalsContact C-N 3.33Å; H143-Q145 PolarHBondContact ND1-N 2.69Å; H143-Q145 PolarHBondContact O-N 3.09Å; H143-V390 PolarHBondContact NE2-O 2.87Å; H143-E497 HydrophobicContact CB-CG 4.25Å; H143-Y498 PolarHBondContact CE1-O 2.84Å; H143-Y498 PolarHBondContact CE1-OXT 3.23Å; H143-Y498 PolarHBondContact ND1-O 3.16Å; H143-Y498 WeakPolarHBondContact NE2-CA 3.46Å | ||
| 144 | P | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -78.6 | -12.7 | -172.2 | 30.3 | -36.7 | 0 | 0 | 0 | 114.5 | L182 V390 Y414 | P144-L182 HydrophobicContact CB-CB 4.36Å; P144-L182 VanDerWaalsContact CB-O 3.23Å; P144-L182 WeakPolarHBondContact CB-O 3.34Å; P144-L182 PolarHBondContact O-N 3.41Å; P144-V390 HydrophobicContact CG-CB 4.06Å; P144-V390 HydrophobicContact CG-CG1 3.82Å; P144-V390 HydrophobicContact CG-CG2 3.98Å; P144-Y414 HydrophobicContact CB-CE1 3.9Å; P144-Y414 HydrophobicContact CB-CE2 4Å; P144-Y414 HydrophobicContact CG-CD1 3.94Å; P144-Y414 HydrophobicContact CG-CD2 4.06Å; P144-Y414 HydrophobicContact CG-CE1 3.74Å; P144-Y414 HydrophobicContact CG-CE2 3.87Å; P144-Y414 HydrophobicContact CG-CG 4.12Å |
| 145 | Q | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.7 | 179.4 | -56 | -167 | -80.2 | 0 | 0 | 110.1 | H143 M179 T181 S262 I388 V390 Y498 | H143-Q145 VanDerWaalsContact C-N 3.33Å; H143-Q145 PolarHBondContact ND1-N 2.69Å; H143-Q145 PolarHBondContact O-N 3.09Å; Q145-M179 HydrophobicContact CB-SD 4.42Å; Q145-T181 HydrophobicContact CG-CG2 4.11Å; Q145-T181 PolarHBondContact NE2-OG1 3.09Å; Q145-S262 PolarHBondContact O-N 2.99Å; Q145-I388 PolarHBondContact NE2-O 2.65Å; Q145-V390 HydrophobicContact CG-CB 4.4Å; Q145-V390 HydrophobicContact CG-CG2 4.37Å; Q145-Y498 PolarHBondContact OE1-OXT 3.28Å |
| 146 | V | 95.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 163.7 | -166 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | I148 I180 L182 L259 E260 | V146-I148 HydrophobicContact CG2-CG1 4.24Å; V146-I180 PolarHBondContact N-O 3.35Å; V146-I180 PolarHBondContact O-N 2.9Å; V146-L182 HydrophobicContact CG2-CD1 4.13Å; V146-L182 HydrophobicContact CG2-CG 3.98Å; V146-L259 HydrophobicContact CG2-CD2 4.21Å; V146-E260 CarbonylContact C-O 3.55Å; V146-E260 WeakPolarHBondContact CA-O 3.36Å; V146-E260 VanDerWaalsContact CB-O 3.26Å; V146-E260 WeakPolarHBondContact CB-O 3.4Å |
| 147 | N | 97.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 143.6 | 159.7 | -54.9 | 121.4 | 0 | 0 | 0 | 108.7 | Y156 P173 S178 E260 S262 | N147-Y156 HydrophobicContact CB-CD1 4.17Å; N147-Y156 HydrophobicContact CB-CE1 4.31Å; N147-P173 HydrophobicContact CB-CB 3.71Å; N147-P173 HydrophobicContact CB-CG 4.4Å; N147-P173 VanDerWaalsContact CG-CB 3.43Å; N147-S178 PolarHBondContact ND2-O 2.82Å; N147-E260 HydrophobicContact CB-CB 4.48Å; N147-E260 PolarHBondContact N-O 2.76Å; N147-E260 PolarHBondContact O-N 3.48Å; N147-S262 WeakPolarHBondContact OD1-CA 3.41Å |
| 148 | I | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.1 | -178.1 | -55.7 | -177.2 | 0 | 0 | 0 | 108.6 | V146 Y156 A157 I180 L191 F226 M243 F257 L259 | V146-I148 HydrophobicContact CG2-CG1 4.24Å; I148-Y156 CarbonylContact O-C 3.53Å; I148-Y156 WeakPolarHBondContact O-CA 3.48Å; I148-A157 HydrophobicContact CB-CB 3.98Å; I148-A157 HydrophobicContact CG2-CB 4.49Å; I148-A157 PolarHBondContact O-N 2.88Å; I148-I180 HydrophobicContact CD1-CB 4.13Å; I148-I180 HydrophobicContact CD1-CG1 4.18Å; I148-I180 HydrophobicContact CD1-CG2 3.85Å; I148-I180 HydrophobicContact CG1-CB 4.36Å; I148-I180 HydrophobicContact CG1-CG1 4.37Å; I148-L191 HydrophobicContact CD1-CD2 3.87Å; I148-L191 HydrophobicContact CD1-CG 4.44Å; I148-F226 HydrophobicContact CD1-CZ 4.15Å; I148-M243 HydrophobicContact CG2-CE 4.1Å; I148-F257 HydrophobicContact CG2-CB 3.75Å; I148-F257 HydrophobicContact CG2-CD1 3.68Å; I148-F257 HydrophobicContact CG2-CG 3.88Å; I148-L259 HydrophobicContact CD1-CD2 4.43Å; I148-L259 HydrophobicContact CG1-CD2 3.91Å |
| 149 | F | 98 | Very high | 94.8 | Very high | 45 Ų | 45 | 27.1 Ų | 27.1 | 20% | 0.197 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126 | 178.5 | 176.7 | -96.7 | 0 | 0 | 0 | 111 | K154 Y156 F257 V258 | F149-K154 HydrophobicContact CE2-CB 4.42Å; F149-K154 HydrophobicContact CZ-CB 3.94Å; F149-K154 HydrophobicContact CZ-CG 4.45Å; F149-Y156 HydrophobicContact CB-CD1 3.94Å; F149-Y156 HydrophobicContact CB-CE1 3.73Å; F149-Y156 HydrophobicContact CD2-CD1 4.21Å; F149-Y156 AromaticContact CD2-CD2 3.85Å; F149-Y156 HydrophobicContact CD2-CD2 3.85Å; F149-Y156 AromaticContact CD2-CE1 3.99Å; F149-Y156 HydrophobicContact CD2-CE1 3.99Å; F149-Y156 AromaticContact CD2-CE2 3.57Å; F149-Y156 HydrophobicContact CD2-CE2 3.57Å; F149-Y156 HydrophobicContact CD2-CG 4.17Å; F149-Y156 AromaticContact CD2-CZ 3.67Å; F149-Y156 HydrophobicContact CE2-CD2 4.46Å; F149-Y156 HydrophobicContact CE2-CE2 4.06Å; F149-Y156 HydrophobicContact CG-CE1 4.31Å; F149-F257 CarbonylContact O-C 3.58Å; F149-F257 WeakPolarHBondContact O-CA 3.24Å; F149-V258 HydrophobicContact CB-CB 4.2Å; F149-V258 HydrophobicContact CD1-CB 4.4Å; F149-V258 HydrophobicContact CD1-CG2 4.11Å; F149-V258 PolarHBondContact N-O 2.89Å; F149-V258 PolarHBondContact O-N 3.25Å |
| 150 | S | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126.8 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | R153 K154 R155 P236 | S150-R153 PolarHBondContact OG-N 3.27Å; S150-K154 WeakPolarHBondContact O-CA 3.41Å; S150-K154 PolarHBondContact O-N 3.29Å; S150-R155 PolarHBondContact N-O 3.01Å; S150-P236 WeakPolarHBondContact OG-CG 3.48Å |
| 151 | V | 95.8 | Very high | 94.7 | Very high | 47 Ų | 47 | 34.2 Ų | 34.2 | 29% | 0.285 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -43.7 | 178.3 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | K223 L256 V258 | V151-K223 HydrophobicContact CG2-CD 3.83Å; V151-K223 HydrophobicContact CG2-CG 4.35Å; V151-L256 HydrophobicContact CB-CB 4.3Å; V151-L256 WeakPolarHBondContact CB-O 3.39Å; V151-L256 HydrophobicContact CG2-CB 4Å; V151-L256 WeakPolarHBondContact CG2-O 3.49Å; V151-L256 PolarHBondContact N-O 3.26Å; V151-L256 VanDerWaalsContact N-O 3.11Å; V151-V258 HydrophobicContact CG2-CG2 4.36Å |
| 152 | T | 96 | Very high | 94.7 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -47.6 | -179.1 | -55.9 | 0 | 0 | 0 | 0 | 112.1 | K154 K253 D254 | T152-K154 VanDerWaalsContact C-N 3.31Å; T152-K154 PolarHBondContact O-N 2.97Å; T152-K253 PolarHBondContact OG1-O 2.88Å; T152-K253 VanDerWaalsContact OG1-O 3.07Å; T152-D254 VanDerWaalsContact CB-OD1 3.3Å; T152-D254 WeakPolarHBondContact CB-OD1 3.32Å; T152-D254 WeakPolarHBondContact CG2-OD1 3.21Å; T152-D254 VanDerWaalsContact OG1-CA 3.31Å; T152-D254 WeakPolarHBondContact OG1-CA 3.47Å; T152-D254 PolarHBondContact OG1-N 2.8Å; T152-D254 PolarHBondContact OG1-OD1 2.89Å |
| 153 | R | 96.9 | Very high | 94.9 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.2 | -176.3 | -67.6 | -69.9 | -177.4 | 122.5 | 2.5 | 112.7 | S150 R155 I168 P236 G238 P239 | S150-R153 PolarHBondContact OG-N 3.27Å; R153-R155 VanDerWaalsContact C-N 3.25Å; R153-R155 HydrophobicContact CB-CB 4.08Å; R153-R155 HydrophobicContact CB-CG 4.32Å; R153-R155 PolarHBondContact O-N 2.93Å; R153-I168 HydrophobicContact CB-CG2 4.32Å; R153-P236 HydrophobicContact CG-CB 3.73Å; R153-P236 HydrophobicContact CG-CG 3.76Å; R153-G238 PolarHBondContact NH1-O 2.95Å; R153-G238 VanDerWaalsContact NH1-O 3.12Å; R153-G238 PolarHBondContact NH2-O 2.87Å; R153-P239 PolarHBondContact NH1-O 3.12Å; R153-P239 VanDerWaalsContact NH1-O 3.15Å |
| 154 | K | 97.8 | Very high | 95.2 | Very high | 143 Ų | 143 | 50.7 Ų | 50.7 | 62% | 0.622 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 45.2 | -169.2 | -54 | -179.6 | -179.8 | -178.4 | 0 | 111.4 | F149 S150 T152 | F149-K154 HydrophobicContact CE2-CB 4.42Å; F149-K154 HydrophobicContact CZ-CB 3.94Å; F149-K154 HydrophobicContact CZ-CG 4.45Å; S150-K154 WeakPolarHBondContact O-CA 3.41Å; S150-K154 PolarHBondContact O-N 3.29Å; T152-K154 VanDerWaalsContact C-N 3.31Å; T152-K154 PolarHBondContact O-N 2.97Å |
| 155 | R | 98.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 51.4 Ų | 51.4 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 155.1 | -175.7 | -68 | -61.1 | -176.4 | -88.1 | 16.5 | 109.8 | S150 R153 I168 D169 R170 D171 | S150-R155 PolarHBondContact N-O 3.01Å; R153-R155 VanDerWaalsContact C-N 3.25Å; R153-R155 HydrophobicContact CB-CB 4.08Å; R153-R155 HydrophobicContact CB-CG 4.32Å; R153-R155 PolarHBondContact O-N 2.93Å; R155-I168 HydrophobicContact CB-CG2 4.17Å; R155-I168 WeakPolarHBondContact CB-O 3.45Å; R155-I168 WeakPolarHBondContact O-CG2 3.3Å; R155-D169 WeakPolarHBondContact CD-O 3.21Å; R155-R170 CarbonylContact C-O 3.55Å; R155-R170 WeakPolarHBondContact CA-O 3.45Å; R155-R170 VanDerWaalsContact CD-O 3.25Å; R155-R170 WeakPolarHBondContact CD-O 3.4Å; R155-D171 IonicContact CZ-OD1 3.44Å; R155-D171 IonicContact NE-OD1 3.91Å; R155-D171 PolarHBondContact NE-OD1 3.47Å; R155-D171 IonicContact NH1-OD1 2.94Å; R155-D171 IonicContact NH2-OD1 2.76Å; R155-D171 PolarHBondContact NH2-OD1 2.77Å |
| 156 | Y | 98.6 | Very high | 95.5 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 12% | 0.118 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.7 | 179 | -71.2 | -89.3 | 0 | 0 | 0 | 111.2 | N147 I148 F149 I168 R170 P173 E260 | N147-Y156 HydrophobicContact CB-CD1 4.17Å; N147-Y156 HydrophobicContact CB-CE1 4.31Å; I148-Y156 CarbonylContact O-C 3.53Å; I148-Y156 WeakPolarHBondContact O-CA 3.48Å; F149-Y156 HydrophobicContact CB-CD1 3.94Å; F149-Y156 HydrophobicContact CB-CE1 3.73Å; F149-Y156 HydrophobicContact CD2-CD1 4.21Å; F149-Y156 AromaticContact CD2-CD2 3.85Å; F149-Y156 HydrophobicContact CD2-CD2 3.85Å; F149-Y156 AromaticContact CD2-CE1 3.99Å; F149-Y156 HydrophobicContact CD2-CE1 3.99Å; F149-Y156 AromaticContact CD2-CE2 3.57Å; F149-Y156 HydrophobicContact CD2-CE2 3.57Å; F149-Y156 HydrophobicContact CD2-CG 4.17Å; F149-Y156 AromaticContact CD2-CZ 3.67Å; F149-Y156 HydrophobicContact CE2-CD2 4.46Å; F149-Y156 HydrophobicContact CE2-CE2 4.06Å; F149-Y156 HydrophobicContact CG-CE1 4.31Å; Y156-I168 WeakPolarHBondContact O-CA 3.33Å; Y156-R170 PolarHBondContact N-O 2.88Å; Y156-R170 PolarHBondContact O-N 3.21Å; Y156-P173 HydrophobicContact CD1-CB 3.67Å; Y156-P173 HydrophobicContact CD1-CG 4.02Å; Y156-P173 HydrophobicContact CD2-CG 4.5Å; Y156-P173 HydrophobicContact CE1-CB 3.92Å; Y156-P173 HydrophobicContact CE1-CG 3.74Å; Y156-P173 HydrophobicContact CE2-CG 4.29Å; Y156-P173 HydrophobicContact CG-CB 3.97Å; Y156-P173 HydrophobicContact CG-CG 4.36Å; Y156-E260 VanDerWaalsContact CE1-OE2 3.24Å; Y156-E260 WeakPolarHBondContact CE1-OE2 3.31Å; Y156-E260 PolarHBondContact OH-OE1 3.2Å; Y156-E260 PolarHBondContact OH-OE2 3.31Å |
| 157 | A | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I148 I166 A167 I168 | I148-A157 HydrophobicContact CB-CB 3.98Å; I148-A157 HydrophobicContact CG2-CB 4.49Å; I148-A157 PolarHBondContact O-N 2.88Å; A157-I166 HydrophobicContact CB-CG2 3.84Å; A157-A167 CarbonylContact C-O 3.58Å; A157-A167 VanDerWaalsContact CA-O 3.23Å; A157-A167 WeakPolarHBondContact CA-O 3.39Å; A157-I168 HydrophobicContact CB-CG1 4.04Å |
| 158 | H | 98.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.111 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157.4 | 172.7 | 79.1 | 112.5 | 0 | 0 | 0 | 111.4 | S160 I166 A167 D169 D177 | H158-S160 PolarHBondContact O-N 2.8Å; H158-I166 CarbonylContact O-C 3.56Å; H158-I166 WeakPolarHBondContact O-CA 3.31Å; H158-A167 PolarHBondContact N-O 3.33Å; H158-A167 PolarHBondContact O-N 3.26Å; H158-D169 IonicContact CD2-OD1 2.74Å; H158-D169 IonicContact NE2-OD1 2.71Å; H158-D169 PolarHBondContact NE2-OD1 3.5Å; H158-D169 VanDerWaalsContact NE2-OD1 3.09Å; H158-D177 CarbonylContact C-O 3.48Å; H158-D177 WeakPolarHBondContact CA-O 3.28Å; H158-D177 WeakPolarHBondContact CB-O 3.29Å; H158-D177 IonicContact CE1-OD2 2.9Å; H158-D177 IonicContact CG-OD2 3.91Å; H158-D177 IonicContact ND1-OD2 2.92Å; H158-D177 PolarHBondContact ND1-OD2 3.26Å |
| 159 | L | 97.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 122.8 | 170.8 | 175.3 | 64 | 0 | 0 | 0 | 109.7 | D177 T193 D195 L205 | L159-D177 HydrophobicContact CB-CB 4.05Å; L159-D177 PolarHBondContact N-O 3.37Å; L159-D177 WeakPolarHBondContact O-CB 3.35Å; L159-T193 HydrophobicContact CB-CG2 4.33Å; L159-T193 HydrophobicContact CD1-CG2 4.19Å; L159-D195 HydrophobicContact CD2-CB 3.93Å; L159-L205 HydrophobicContact CD1-CD1 3.39Å |
| 160 | S | 95.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 106 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | H158 K162 V163 D164 E165 | H158-S160 PolarHBondContact O-N 2.8Å; S160-K162 PolarHBondContact O-N 3.44Å; S160-V163 PolarHBondContact O-N 3.29Å; S160-D164 WeakPolarHBondContact O-CA 3.33Å; S160-D164 PolarHBondContact O-N 2.71Å; S160-E165 PolarHBondContact N-O 3.2Å |
| 161 | D | 83.6 | Confident | 95.5 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 73% | 0.733 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.8 | 177.4 | -63.3 | -25.4 | 0 | 0 | 0 | 113.2 | ||
| 162 | K | 85.6 | Confident | 95.6 | Very high | 201 Ų | 201 | 59 Ų | 59 | 87% | 0.874 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -34.4 | -178.1 | -68 | -179.5 | -177.6 | 172.5 | 0 | 113 | S160 | S160-K162 PolarHBondContact O-N 3.44Š|
| 163 | V | 86.1 | Confident | 95.6 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -2.2 | -171 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | S160 E165 | S160-V163 PolarHBondContact O-N 3.29Å; V163-E165 HydrophobicContact CB-CG 4.04Å; V163-E165 HydrophobicContact CG1-CG 4.22Å |
| 164 | D | 94.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 49.3 | 179.2 | -157.8 | 40.5 | 0 | 0 | 0 | 113.2 | S160 R197 | S160-D164 WeakPolarHBondContact O-CA 3.33Å; S160-D164 PolarHBondContact O-N 2.71Å; D164-R197 IonicContact OD1-CZ 2.97Å; D164-R197 IonicContact OD1-NH1 3.01Å; D164-R197 PolarHBondContact OD1-NH1 2.89Å; D164-R197 IonicContact OD1-NH2 3.49Å; D164-R197 PolarHBondContact OD1-NH2 3.04Å; D164-R197 IonicContact OD2-NH1 3.59Å; D164-R197 PolarHBondContact OD2-NH1 2.77Å |
| 165 | E | 97.3 | Very high | 95.5 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.065 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 170.2 | -174.8 | 68.6 | 180 | -166.4 | 0 | 0 | 112 | S160 V163 A167 S240 T242 | S160-E165 PolarHBondContact N-O 3.2Å; V163-E165 HydrophobicContact CB-CG 4.04Å; V163-E165 HydrophobicContact CG1-CG 4.22Å; E165-A167 HydrophobicContact CG-CB 4.4Å; E165-S240 WeakPolarHBondContact OE1-CB 3.43Å; E165-S240 PolarHBondContact OE1-OG 2.79Å; E165-T242 HydrophobicContact CB-CG2 4.3Å; E165-T242 VanDerWaalsContact CD-OG1 3.28Å; E165-T242 PolarHBondContact OE1-OG1 3.35Å; E165-T242 VanDerWaalsContact OE2-CB 3.28Å; E165-T242 WeakPolarHBondContact OE2-CB 3.35Å; E165-T242 WeakPolarHBondContact OE2-CG2 3.24Å; E165-T242 PolarHBondContact OE2-OG1 2.93Å |
| 166 | I | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 106.9 | 158.7 | -58.5 | -176.2 | 0 | 0 | 0 | 107.8 | A157 H158 I180 T193 L199 L205 M243 | A157-I166 HydrophobicContact CB-CG2 3.84Å; H158-I166 CarbonylContact O-C 3.56Å; H158-I166 WeakPolarHBondContact O-CA 3.31Å; I166-I180 HydrophobicContact CD1-CD1 4.16Å; I166-T193 HydrophobicContact CD1-CG2 3.64Å; I166-T193 HydrophobicContact CG1-CG2 3.7Å; I166-L199 HydrophobicContact CD1-CB 3.92Å; I166-L199 HydrophobicContact CD1-CD1 4.06Å; I166-L199 HydrophobicContact CD1-CD2 4.2Å; I166-L199 HydrophobicContact CD1-CG 4.27Å; I166-L199 HydrophobicContact CG1-CD1 4.24Å; I166-L205 HydrophobicContact CD1-CD2 4.31Å; I166-L205 HydrophobicContact CG1-CD2 4.03Å; I166-M243 HydrophobicContact CB-CB 4.04Å; I166-M243 HydrophobicContact CG2-CB 3.99Å; I166-M243 HydrophobicContact CG2-SD 4.1Å; I166-M243 PolarHBondContact O-N 3.4Å |
| 167 | A | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 151.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | A157 H158 E165 | A157-A167 CarbonylContact C-O 3.58Å; A157-A167 VanDerWaalsContact CA-O 3.23Å; A157-A167 WeakPolarHBondContact CA-O 3.39Å; H158-A167 PolarHBondContact N-O 3.33Å; H158-A167 PolarHBondContact O-N 3.26Å; E165-A167 HydrophobicContact CG-CB 4.4Å |
| 168 | I | 98.4 | Very high | 95 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 60.1 | 178.8 | -52.3 | 168.9 | 0 | 0 | 0 | 109.5 | R153 R155 Y156 A157 P236 S240 G241 M243 F257 | R153-I168 HydrophobicContact CB-CG2 4.32Å; R155-I168 HydrophobicContact CB-CG2 4.17Å; R155-I168 WeakPolarHBondContact CB-O 3.45Å; R155-I168 WeakPolarHBondContact O-CG2 3.3Å; Y156-I168 WeakPolarHBondContact O-CA 3.33Å; A157-I168 HydrophobicContact CB-CG1 4.04Å; I168-P236 HydrophobicContact CB-CB 4.31Å; I168-P236 HydrophobicContact CD1-CB 3.89Å; I168-P236 HydrophobicContact CD1-CG 3.7Å; I168-P236 HydrophobicContact CG2-CG 4.5Å; I168-S240 CarbonylContact C-O 3.56Å; I168-S240 PolarHBondContact N-O 3.11Å; I168-G241 WeakPolarHBondContact CB-O 3.35Å; I168-G241 WeakPolarHBondContact CG1-O 3.41Å; I168-G241 PolarHBondContact N-O 2.9Å; I168-M243 HydrophobicContact CD1-CB 3.8Å; I168-M243 HydrophobicContact CD1-CE 4.21Å; I168-M243 HydrophobicContact CD1-CG 3.91Å; I168-M243 HydrophobicContact CD1-SD 4.37Å; I168-M243 HydrophobicContact CG1-CB 4.28Å; I168-F257 HydrophobicContact CD1-CE1 3.9Å |
| 169 | D | 97.3 | Very high | 94.9 | Very high | 72 Ų | 72 | 44.2 Ų | 44.2 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 2.2 | -178.7 | 58.9 | 5 | 0 | 0 | 0 | 113.1 | R155 H158 | R155-D169 WeakPolarHBondContact CD-O 3.21Å; H158-D169 IonicContact CD2-OD1 2.74Å; H158-D169 IonicContact NE2-OD1 2.71Å; H158-D169 PolarHBondContact NE2-OD1 3.5Å; H158-D169 VanDerWaalsContact NE2-OD1 3.09Å |
| 170 | R | 96.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.9 | -178.6 | -157.2 | 170.1 | -175.6 | 176.1 | -2.8 | 113.2 | R155 Y156 V172 W174 D177 S178 D293 | R155-R170 CarbonylContact C-O 3.55Å; R155-R170 WeakPolarHBondContact CA-O 3.45Å; R155-R170 VanDerWaalsContact CD-O 3.25Å; R155-R170 WeakPolarHBondContact CD-O 3.4Å; Y156-R170 PolarHBondContact N-O 2.88Å; Y156-R170 PolarHBondContact O-N 3.21Å; R170-V172 WeakPolarHBondContact CD-O 3.16Å; R170-V172 VanDerWaalsContact CG-O 3.31Å; R170-V172 WeakPolarHBondContact CG-O 3.28Å; R170-V172 PolarHBondContact NE-O 3.48Å; R170-W174 PolarHBondContact NH1-O 3.16Å; R170-W174 VanDerWaalsContact NH2-C 3.28Å; R170-W174 PolarHBondContact NH2-O 2.92Å; R170-D177 IonicContact CZ-OD1 3.68Å; R170-D177 IonicContact CZ-OD2 3.91Å; R170-D177 IonicContact NH1-OD1 3.09Å; R170-D177 PolarHBondContact NH1-OD1 3.48Å; R170-D177 IonicContact NH1-OD2 3.63Å; R170-D177 PolarHBondContact NH1-OD2 3.45Å; R170-D177 IonicContact NH2-OD1 3.56Å; R170-S178 PolarHBondContact NH1-OG 2.83Å; R170-D293 IonicContact CZ-OD2 3.92Å; R170-D293 VanDerWaalsContact NH2-CG 3.3Å; R170-D293 IonicContact NH2-OD1 3.5Å; R170-D293 PolarHBondContact NH2-OD1 3.18Å; R170-D293 IonicContact NH2-OD2 2.71Å; R170-D293 PolarHBondContact NH2-OD2 2.75Å |
| 171 | D | 96.6 | Very high | 94.9 | Very high | 109 Ų | 109 | 43.2 Ų | 43.2 | 58% | 0.583 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -70.9 | -36.9 | -176.5 | -69 | -43.2 | 0 | 0 | 0 | 112.9 | R155 | R155-D171 IonicContact CZ-OD1 3.44Å; R155-D171 IonicContact NE-OD1 3.91Å; R155-D171 PolarHBondContact NE-OD1 3.47Å; R155-D171 IonicContact NH1-OD1 2.94Å; R155-D171 IonicContact NH2-OD1 2.76Å; R155-D171 PolarHBondContact NH2-OD1 2.77Å |
| 172 | V | 96.7 | Very high | 95.5 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -138.8 | 149.7 | -177.2 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | R170 W174 | R170-V172 WeakPolarHBondContact CD-O 3.16Å; R170-V172 VanDerWaalsContact CG-O 3.31Å; R170-V172 WeakPolarHBondContact CG-O 3.28Å; R170-V172 PolarHBondContact NE-O 3.48Å; V172-W174 HydrophobicContact CG2-CB 4.19Å; V172-W174 PolarHBondContact O-N 2.92Å |
| 173 | P | 96.8 | Very high | 95.9 | Very high | 17 Ų | 17 | 27.3 Ų | 27.3 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | trans | -83 | 62.4 | -175.9 | 34.2 | -33.3 | 0 | 0 | 0 | 111.6 | N147 Y156 S178 Q265 | N147-P173 HydrophobicContact CB-CB 3.71Å; N147-P173 HydrophobicContact CB-CG 4.4Å; N147-P173 VanDerWaalsContact CG-CB 3.43Å; Y156-P173 HydrophobicContact CD1-CB 3.67Å; Y156-P173 HydrophobicContact CD1-CG 4.02Å; Y156-P173 HydrophobicContact CD2-CG 4.5Å; Y156-P173 HydrophobicContact CE1-CB 3.92Å; Y156-P173 HydrophobicContact CE1-CG 3.74Å; Y156-P173 HydrophobicContact CE2-CG 4.29Å; Y156-P173 HydrophobicContact CG-CB 3.97Å; Y156-P173 HydrophobicContact CG-CG 4.36Å; P173-S178 VanDerWaalsContact C-CB 3.48Å; P173-S178 VanDerWaalsContact C-OG 3.31Å; P173-S178 WeakPolarHBondContact CA-OG 3.35Å; P173-Q265 PolarHBondContact O-NE2 2.92Å | ||
| 174 | W | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 2% | 0.023 | 13% | 0.132 | C | C | . | . | trans | -96.3 | 165.8 | -176.6 | -136.6 | -109.5 | 0 | 0 | 0 | 112.5 | R170 V172 S178 D293 V296 Q298 R311 T312 A313 | R170-W174 PolarHBondContact NH1-O 3.16Å; R170-W174 VanDerWaalsContact NH2-C 3.28Å; R170-W174 PolarHBondContact NH2-O 2.92Å; V172-W174 HydrophobicContact CG2-CB 4.19Å; V172-W174 PolarHBondContact O-N 2.92Å; W174-S178 PolarHBondContact N-OG 3.44Å; W174-S178 WeakPolarHBondContact O-CB 3.31Å; W174-S178 PolarHBondContact O-OG 3.42Å; W174-D293 PolarHBondContact NE1-O 2.98Å; W174-V296 WeakPolarHBondContact CZ2-O 3.38Å; W174-V296 PolarHBondContact NE1-O 2.84Å; W174-Q298 HydrophobicContact CH2-CB 3.31Å; W174-Q298 HydrophobicContact CZ2-CB 4.04Å; W174-Q298 HydrophobicContact CZ3-CB 3.77Å; W174-R311 HydrophobicContact CH2-CB 4.21Å; W174-R311 HydrophobicContact CH2-CG 4.18Å; W174-R311 WeakPolarHBondContact CH2-O 3.41Å; W174-R311 WeakPolarHBondContact CZ2-O 3.2Å; W174-T312 WeakPolarHBondContact CH2-O 3.22Å; W174-A313 HydrophobicContact CB-CB 4.41Å; W174-A313 HydrophobicContact CD2-CB 3.9Å; W174-A313 HydrophobicContact CG-CB 3.75Å; W174-A313 VanDerWaalsContact CZ2-N 3.29Å | ||
| 175 | G | 94.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 177.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | D177 | G175-D177 VanDerWaalsContact C-N 3.34Š|
| 176 | V | 94.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 31.8 Ų | 31.8 | 33% | 0.333 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -70.5 | -30.7 | -177.2 | 61.8 | 0 | 0 | 0 | 0 | 113 | S178 M179 S194 I384 P387 | V176-S178 VanDerWaalsContact C-N 3.35Å; V176-S178 PolarHBondContact O-N 2.56Å; V176-M179 PolarHBondContact O-N 2.93Å; V176-S194 WeakPolarHBondContact O-CB 3.03Å; V176-S194 PolarHBondContact O-OG 3.43Å; V176-I384 WeakPolarHBondContact CG2-O 3.13Å; V176-P387 HydrophobicContact CG2-CG 3.65Å |
| 177 | D | 95.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 33.5 Ų | 33.5 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -76 | -18.2 | -175.7 | 59.9 | -47.2 | 0 | 0 | 0 | 113.7 | H158 L159 R170 G175 M179 | H158-D177 CarbonylContact C-O 3.48Å; H158-D177 WeakPolarHBondContact CA-O 3.28Å; H158-D177 WeakPolarHBondContact CB-O 3.29Å; H158-D177 IonicContact CE1-OD2 2.9Å; H158-D177 IonicContact CG-OD2 3.91Å; H158-D177 IonicContact ND1-OD2 2.92Å; H158-D177 PolarHBondContact ND1-OD2 3.26Å; L159-D177 HydrophobicContact CB-CB 4.05Å; L159-D177 PolarHBondContact N-O 3.37Å; L159-D177 WeakPolarHBondContact O-CB 3.35Å; R170-D177 IonicContact CZ-OD1 3.68Å; R170-D177 IonicContact CZ-OD2 3.91Å; R170-D177 IonicContact NH1-OD1 3.09Å; R170-D177 PolarHBondContact NH1-OD1 3.48Å; R170-D177 IonicContact NH1-OD2 3.63Å; R170-D177 PolarHBondContact NH1-OD2 3.45Å; R170-D177 IonicContact NH2-OD1 3.56Å; G175-D177 VanDerWaalsContact C-N 3.34Å; D177-M179 VanDerWaalsContact C-N 3.3Å |
| 178 | S | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -78.9 | -10.5 | 175 | -67.2 | 0 | 0 | 0 | 0 | 114.2 | N147 R170 P173 W174 V176 | N147-S178 PolarHBondContact ND2-O 2.82Å; R170-S178 PolarHBondContact NH1-OG 2.83Å; P173-S178 VanDerWaalsContact C-CB 3.48Å; P173-S178 VanDerWaalsContact C-OG 3.31Å; P173-S178 WeakPolarHBondContact CA-OG 3.35Å; W174-S178 PolarHBondContact N-OG 3.44Å; W174-S178 WeakPolarHBondContact O-CB 3.31Å; W174-S178 PolarHBondContact O-OG 3.42Å; V176-S178 VanDerWaalsContact C-N 3.35Å; V176-S178 PolarHBondContact O-N 2.56Å |
| 179 | M | 95.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -83.2 | 123.9 | -177.6 | -173.2 | -78.4 | -68.3 | 0 | 0 | 110.3 | Q145 V176 D177 T181 P387 I388 | Q145-M179 HydrophobicContact CB-SD 4.42Å; V176-M179 PolarHBondContact O-N 2.93Å; D177-M179 VanDerWaalsContact C-N 3.3Å; M179-T181 PolarHBondContact SD-OG1 2.79Å; M179-P387 HydrophobicContact CE-CG 4.37Å; M179-I388 HydrophobicContact CE-CD1 4.23Å; M179-I388 HydrophobicContact CE-CG1 3.67Å | ||
| 180 | I | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.5 | 171.3 | -58 | -62.5 | 0 | 0 | 0 | 108.7 | V146 I148 I166 L191 Q192 T193 | V146-I180 PolarHBondContact N-O 3.35Å; V146-I180 PolarHBondContact O-N 2.9Å; I148-I180 HydrophobicContact CD1-CB 4.13Å; I148-I180 HydrophobicContact CD1-CG1 4.18Å; I148-I180 HydrophobicContact CD1-CG2 3.85Å; I148-I180 HydrophobicContact CG1-CB 4.36Å; I148-I180 HydrophobicContact CG1-CG1 4.37Å; I166-I180 HydrophobicContact CD1-CD1 4.16Å; I180-L191 HydrophobicContact CG2-CB 4.13Å; I180-L191 HydrophobicContact CG2-CG 4.24Å; I180-Q192 WeakPolarHBondContact CA-O 3.42Å; I180-T193 HydrophobicContact CD1-CG2 4.08Å |
| 181 | T | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.8 | 171.9 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | Q145 M179 V183 Q192 V390 | Q145-T181 HydrophobicContact CG-CG2 4.11Å; Q145-T181 PolarHBondContact NE2-OG1 3.09Å; M179-T181 PolarHBondContact SD-OG1 2.79Å; T181-V183 HydrophobicContact CG2-CG2 3.94Å; T181-V183 PolarHBondContact O-N 2.95Å; T181-Q192 PolarHBondContact N-O 3.28Å; T181-Q192 WeakPolarHBondContact O-CB 3.42Å; T181-Q192 PolarHBondContact O-N 3.36Å; T181-V390 HydrophobicContact CG2-CG2 4.44Å |
| 182 | L | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 108.9 | 171.5 | -61.7 | -178.9 | 0 | 0 | 0 | 108.4 | I140 P144 V146 Y189 L191 F226 L259 Y414 | I140-L182 HydrophobicContact CD1-CB 4.41Å; I140-L182 HydrophobicContact CD1-CD1 3.83Å; P144-L182 HydrophobicContact CB-CB 4.36Å; P144-L182 VanDerWaalsContact CB-O 3.23Å; P144-L182 WeakPolarHBondContact CB-O 3.34Å; P144-L182 PolarHBondContact O-N 3.41Å; V146-L182 HydrophobicContact CG2-CD1 4.13Å; V146-L182 HydrophobicContact CG2-CG 3.98Å; L182-Y189 HydrophobicContact CB-CD1 3.88Å; L182-Y189 HydrophobicContact CB-CE1 4.32Å; L182-L191 HydrophobicContact CD2-CD1 4.23Å; L182-L191 HydrophobicContact CD2-CG 4.09Å; L182-F226 HydrophobicContact CD2-CE1 4.2Å; L182-L259 HydrophobicContact CD1-CD1 3.93Å; L182-Y414 PolarHBondContact O-OH 2.9Å |
| 183 | V | 94.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.1 | -177.7 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | T181 R185 Y189 H190 Q192 F198 Y416 | T181-V183 HydrophobicContact CG2-CG2 3.94Å; T181-V183 PolarHBondContact O-N 2.95Å; V183-R185 HydrophobicContact CG1-CG 3.96Å; V183-Y189 CarbonylContact O-C 3.5Å; V183-Y189 WeakPolarHBondContact O-CA 3.46Å; V183-H190 HydrophobicContact CB-CB 4.41Å; V183-H190 PolarHBondContact N-O 2.93Å; V183-H190 PolarHBondContact O-CD2 3.11Å; V183-H190 PolarHBondContact O-N 3.4Å; V183-Q192 HydrophobicContact CG2-CB 3.94Å; V183-Q192 VanDerWaalsContact CG2-OE1 3.3Å; V183-F198 HydrophobicContact CB-CE1 4.22Å; V183-F198 HydrophobicContact CG1-CE1 4.48Å; V183-F198 HydrophobicContact CG2-CE1 4.12Å; V183-Y416 HydrophobicContact CG1-CE1 4.41Å; V183-Y416 HydrophobicContact CG2-CD1 4.42Å; V183-Y416 HydrophobicContact CG2-CE1 4.26Å |
| 184 | F | 91.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 14% | 0.136 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 113.2 | 177.7 | -168.6 | -108.6 | 0 | 0 | 0 | 112.1 | I21 V138 H139 Q187 R188 Y189 Y414 | I21-F184 HydrophobicContact CD1-CE1 4.1Å; I21-F184 HydrophobicContact CD1-CZ 4.16Å; V138-F184 WeakPolarHBondContact O-CE2 3.38Å; H139-F184 HydrophobicContact CB-CE1 4.47Å; H139-F184 HydrophobicContact CB-CZ 4.25Å; H139-F184 AromaticContact CD2-CD1 3.45Å; H139-F184 VanDerWaalsContact CD2-CD1 3.45Å; H139-F184 WeakPolarHBondContact CD2-CD1 3.23Å; H139-F184 AromaticContact CD2-CD2 3.99Å; H139-F184 AromaticContact CD2-CE1 3.73Å; H139-F184 AromaticContact CD2-CG 3.55Å; H139-F184 AromaticContact NE2-CD1 3.69Å; H139-F184 AromaticContact NE2-CG 3.98Å; F184-Q187 HydrophobicContact CZ-CB 4.47Å; F184-R188 CarbonylContact C-O 3.34Å; F184-R188 WeakPolarHBondContact CA-O 3.42Å; F184-R188 WeakPolarHBondContact CD2-O 3.37Å; F184-Y189 HydrophobicContact CB-CD1 4.34Å; F184-Y189 HydrophobicContact CB-CE1 3.86Å; F184-Y189 HydrophobicContact CD2-CD1 4.28Å; F184-Y189 AromaticContact CD2-CD2 3.94Å; F184-Y189 HydrophobicContact CD2-CD2 3.94Å; F184-Y189 AromaticContact CD2-CE1 3.87Å; F184-Y189 HydrophobicContact CD2-CE1 3.87Å; F184-Y189 AromaticContact CD2-CE2 3.51Å; F184-Y189 HydrophobicContact CD2-CE2 3.51Å; F184-Y189 HydrophobicContact CD2-CG 4.31Å; F184-Y189 AromaticContact CD2-CZ 3.44Å; F184-Y189 VanDerWaalsContact CD2-CZ 3.44Å; F184-Y189 HydrophobicContact CE2-CD2 4.37Å; F184-Y189 AromaticContact CE2-CE2 3.85Å; F184-Y189 HydrophobicContact CE2-CE2 3.85Å; F184-Y189 HydrophobicContact CG-CE1 4.32Å; F184-Y414 PolarHBondContact N-OH 2.92Å; F184-Y414 VanDerWaalsContact N-OH 3.14Å |
| 185 | R | 89.2 | Confident | 94.1 | Very high | 82 Ų | 82 | 25.3 Ų | 25.3 | 31% | 0.309 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.5 | 177.6 | -72.3 | 176.2 | -176.8 | 172.4 | 4.3 | 110.2 | V183 Q187 R188 Y416 | V183-R185 HydrophobicContact CG1-CG 3.96Å; R185-Q187 PolarHBondContact O-N 2.78Å; R185-R188 PolarHBondContact N-O 2.9Å; R185-R188 PolarHBondContact O-N 2.9Å; R185-R188 VanDerWaalsContact O-O 3.06Å; R185-Y416 PolarHBondContact NH2-OH 3.45Å |
| 186 | E | 86.4 | Confident | 94 | Very high | 167 Ų | 167 | 27.9 Ų | 27.9 | 78% | 0.78 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.7 | 177.7 | -57.4 | -173.6 | 172.4 | 0 | 0 | 113.5 | R188 | E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 PolarHBondContact O-N 2.84Å |
| 187 | Q | 85.6 | Confident | 94.1 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 17% | 0.173 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 23.3 | -178 | -51.2 | -63.8 | 6.8 | 0 | 0 | 115.3 | N25 S137 F184 R185 | N25-Q187 PolarHBondContact OD1-NE2 3.22Å; S137-Q187 VanDerWaalsContact CB-OE1 3.22Å; S137-Q187 WeakPolarHBondContact OG-CB 3.26Å; S137-Q187 WeakPolarHBondContact OG-CG 3.42Å; S137-Q187 PolarHBondContact OG-OE1 3.18Å; F184-Q187 HydrophobicContact CZ-CB 4.47Å; R185-Q187 PolarHBondContact O-N 2.78Å |
| 188 | R | 91.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 26.1 Ų | 26.1 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 164.2 | 176.5 | -64.1 | -174.4 | -178.5 | -149.9 | 0.7 | 111.4 | D101 D102 F184 R185 E186 G214 | D101-R188 PolarHBondContact O-NH2 2.66Å; D102-R188 PolarHBondContact O-NE 2.92Å; D102-R188 PolarHBondContact O-NH2 3.11Å; D102-R188 VanDerWaalsContact O-NH2 3.09Å; F184-R188 CarbonylContact C-O 3.34Å; F184-R188 WeakPolarHBondContact CA-O 3.42Å; F184-R188 WeakPolarHBondContact CD2-O 3.37Å; R185-R188 PolarHBondContact N-O 2.9Å; R185-R188 PolarHBondContact O-N 2.9Å; R185-R188 VanDerWaalsContact O-O 3.06Å; E186-R188 VanDerWaalsContact C-N 3.28Å; E186-R188 PolarHBondContact O-N 2.84Å; R188-G214 PolarHBondContact NH1-O 3.23Å |
| 189 | Y | 95.1 | Very high | 94.3 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.5 | 172.1 | -77.7 | -80.8 | 0 | 0 | 0 | 111.5 | V138 H139 I140 L182 V183 F184 Y215 L217 | V138-Y189 WeakPolarHBondContact O-CE2 3.36Å; H139-Y189 WeakPolarHBondContact CA-OH 3.5Å; H139-Y189 PolarHBondContact CD2-OH 3.02Å; I140-Y189 HydrophobicContact CD1-CE1 3.81Å; I140-Y189 HydrophobicContact CG1-CE1 4.06Å; I140-Y189 WeakPolarHBondContact CG1-OH 3.24Å; I140-Y189 HydrophobicContact CG2-CE2 4.23Å; I140-Y189 PolarHBondContact N-OH 2.84Å; L182-Y189 HydrophobicContact CB-CD1 3.88Å; L182-Y189 HydrophobicContact CB-CE1 4.32Å; V183-Y189 CarbonylContact O-C 3.5Å; V183-Y189 WeakPolarHBondContact O-CA 3.46Å; F184-Y189 HydrophobicContact CB-CD1 4.34Å; F184-Y189 HydrophobicContact CB-CE1 3.86Å; F184-Y189 HydrophobicContact CD2-CD1 4.28Å; F184-Y189 AromaticContact CD2-CD2 3.94Å; F184-Y189 HydrophobicContact CD2-CD2 3.94Å; F184-Y189 AromaticContact CD2-CE1 3.87Å; F184-Y189 HydrophobicContact CD2-CE1 3.87Å; F184-Y189 AromaticContact CD2-CE2 3.51Å; F184-Y189 HydrophobicContact CD2-CE2 3.51Å; F184-Y189 HydrophobicContact CD2-CG 4.31Å; F184-Y189 AromaticContact CD2-CZ 3.44Å; F184-Y189 VanDerWaalsContact CD2-CZ 3.44Å; F184-Y189 HydrophobicContact CE2-CD2 4.37Å; F184-Y189 AromaticContact CE2-CE2 3.85Å; F184-Y189 HydrophobicContact CE2-CE2 3.85Å; F184-Y189 HydrophobicContact CG-CE1 4.32Å; Y189-Y215 PolarHBondContact N-O 2.86Å; Y189-Y215 WeakPolarHBondContact O-CD2 3.32Å; Y189-Y215 PolarHBondContact O-N 2.93Å; Y189-L217 HydrophobicContact CD2-CD1 3.53Å; Y189-L217 HydrophobicContact CD2-CD2 4.17Å; Y189-L217 HydrophobicContact CD2-CG 3.55Å; Y189-L217 HydrophobicContact CE2-CD1 3.61Å; Y189-L217 HydrophobicContact CE2-CG 4.07Å; Y189-L217 HydrophobicContact CG-CD1 4.09Å; Y189-L217 HydrophobicContact CG-CD2 4.3Å; Y189-L217 HydrophobicContact CG-CG 4.15Å |
| 190 | H | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.4 | 172.4 | -55.7 | -99.5 | 0 | 0 | 0 | 108.2 | V183 Q192 F198 T209 T213 | V183-H190 HydrophobicContact CB-CB 4.41Å; V183-H190 PolarHBondContact N-O 2.93Å; V183-H190 PolarHBondContact O-CD2 3.11Å; V183-H190 PolarHBondContact O-N 3.4Å; H190-Q192 PolarHBondContact O-N 2.98Å; H190-F198 HydrophobicContact CB-CD1 3.66Å; H190-F198 HydrophobicContact CB-CE1 4.12Å; H190-T209 HydrophobicContact CB-CG2 4.15Å; H190-T213 PolarHBondContact CE1-OG1 2.96Å; H190-T213 PolarHBondContact ND1-O 2.84Å; H190-T213 PolarHBondContact ND1-OG1 3.43Å |
| 191 | L | 98 | Very high | 94.5 | 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 | -89 | 107.6 | 177.3 | -78.1 | 66.4 | 0 | 0 | 0 | 107.6 | I148 I180 L182 F198 L199 Y215 F226 L234 M243 | I148-L191 HydrophobicContact CD1-CD2 3.87Å; I148-L191 HydrophobicContact CD1-CG 4.44Å; I180-L191 HydrophobicContact CG2-CB 4.13Å; I180-L191 HydrophobicContact CG2-CG 4.24Å; L182-L191 HydrophobicContact CD2-CD1 4.23Å; L182-L191 HydrophobicContact CD2-CG 4.09Å; L191-F198 WeakPolarHBondContact O-CA 3.29Å; L191-L199 HydrophobicContact CB-CB 4.06Å; L191-L199 HydrophobicContact CD2-CD2 4.11Å; L191-L199 PolarHBondContact O-N 3.4Å; L191-Y215 HydrophobicContact CD1-CD2 3.72Å; L191-Y215 HydrophobicContact CD1-CE2 4.13Å; L191-Y215 HydrophobicContact CD1-CG 4.45Å; L191-F226 HydrophobicContact CD1-CD1 3.81Å; L191-F226 HydrophobicContact CD1-CE1 3.82Å; L191-F226 HydrophobicContact CD2-CE1 4.44Å; L191-F226 HydrophobicContact CD2-CZ 4.45Å; L191-F226 HydrophobicContact CG-CE1 4.45Å; L191-L234 HydrophobicContact CD2-CD1 4.05Å; L191-M243 HydrophobicContact CD2-CE 4.24Å; L191-M243 HydrophobicContact CD2-SD 3.84Å |
| 192 | Q | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.8 | 179.3 | -163.8 | -177 | 16.7 | 0 | 0 | 110.6 | I180 T181 V183 H190 N196 R197 F198 | I180-Q192 WeakPolarHBondContact CA-O 3.42Å; T181-Q192 PolarHBondContact N-O 3.28Å; T181-Q192 WeakPolarHBondContact O-CB 3.42Å; T181-Q192 PolarHBondContact O-N 3.36Å; V183-Q192 HydrophobicContact CG2-CB 3.94Å; V183-Q192 VanDerWaalsContact CG2-OE1 3.3Å; H190-Q192 PolarHBondContact O-N 2.98Å; Q192-N196 PolarHBondContact NE2-O 2.84Å; Q192-N196 PolarHBondContact NE2-OD1 2.86Å; Q192-R197 CarbonylContact C-O 3.59Å; Q192-R197 VanDerWaalsContact CA-O 3.25Å; Q192-R197 WeakPolarHBondContact CA-O 3.37Å; Q192-R197 WeakPolarHBondContact CG-O 3.44Å; Q192-F198 HydrophobicContact CB-CD1 3.84Å; Q192-F198 HydrophobicContact CB-CE1 3.66Å; Q192-F198 HydrophobicContact CB-CZ 4.45Å; Q192-F198 HydrophobicContact CG-CD1 4Å; Q192-F198 HydrophobicContact CG-CE1 3.64Å; Q192-F198 HydrophobicContact CG-CZ 3.94Å |
| 193 | T | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -82.4 | 167.5 | 174.8 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | L159 I166 I180 D195 N196 R197 L205 | L159-T193 HydrophobicContact CB-CG2 4.33Å; L159-T193 HydrophobicContact CD1-CG2 4.19Å; I166-T193 HydrophobicContact CD1-CG2 3.64Å; I166-T193 HydrophobicContact CG1-CG2 3.7Å; I180-T193 HydrophobicContact CD1-CG2 4.08Å; T193-D195 WeakPolarHBondContact CB-OD1 3.28Å; T193-D195 PolarHBondContact O-N 2.59Å; T193-D195 VanDerWaalsContact O-N 3.14Å; T193-D195 PolarHBondContact OG1-OD1 2.72Å; T193-N196 PolarHBondContact O-N 3.35Å; T193-R197 PolarHBondContact N-O 2.9Å; T193-R197 PolarHBondContact OG1-O 2.96Å; T193-R197 VanDerWaalsContact OG1-O 3.09Å; T193-L205 HydrophobicContact CG2-CD2 3.93Å | ||
| 194 | S | 93.4 | Very high | 94.8 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.4 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | V176 P387 | V176-S194 WeakPolarHBondContact O-CB 3.03Å; V176-S194 PolarHBondContact O-OG 3.43Å; S194-P387 WeakPolarHBondContact O-CG 3.42Å |
| 195 | D | 93.4 | Very high | 95.1 | Very high | 58 Ų | 58 | 35.9 Ų | 35.9 | 31% | 0.31 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 15.7 | 175.4 | 70.6 | -8.6 | 0 | 0 | 0 | 113.7 | L159 T193 R197 | L159-D195 HydrophobicContact CD2-CB 3.93Å; T193-D195 WeakPolarHBondContact CB-OD1 3.28Å; T193-D195 PolarHBondContact O-N 2.59Å; T193-D195 VanDerWaalsContact O-N 3.14Å; T193-D195 PolarHBondContact OG1-OD1 2.72Å; D195-R197 VanDerWaalsContact C-N 3.31Å; D195-R197 PolarHBondContact O-N 3.22Å; D195-R197 PolarHBondContact OD1-N 2.81Å; D195-R197 IonicContact OD1-NE 2.56Å; D195-R197 IonicContact OD2-CZ 3.7Å; D195-R197 IonicContact OD2-NE 2.84Å; D195-R197 PolarHBondContact OD2-NE 3.36Å; D195-R197 IonicContact OD2-NH2 3.63Å; D195-R197 PolarHBondContact OD2-NH2 3.49Å |
| 196 | N | 92.8 | Very high | 95.5 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 32% | 0.316 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 70.8 | 7 | 178.8 | -67.7 | -69.6 | 0 | 0 | 0 | 117.3 | Q192 T193 I388 | Q192-N196 PolarHBondContact NE2-O 2.84Å; Q192-N196 PolarHBondContact NE2-OD1 2.86Å; T193-N196 PolarHBondContact O-N 3.35Å; N196-I388 VanDerWaalsContact OD1-CG2 3.26Å; N196-I388 WeakPolarHBondContact OD1-CG2 3.4Å |
| 197 | R | 96.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 19% | 0.185 | 16% | 0.162 | C | C | . | . | trans | -86 | 161.2 | 174.2 | -64.1 | -176.4 | -66.4 | 166.4 | -3.7 | 112.1 | D164 Q192 T193 D195 L205 V206 | D164-R197 IonicContact OD1-CZ 2.97Å; D164-R197 IonicContact OD1-NH1 3.01Å; D164-R197 PolarHBondContact OD1-NH1 2.89Å; D164-R197 IonicContact OD1-NH2 3.49Å; D164-R197 PolarHBondContact OD1-NH2 3.04Å; D164-R197 IonicContact OD2-NH1 3.59Å; D164-R197 PolarHBondContact OD2-NH1 2.77Å; Q192-R197 CarbonylContact C-O 3.59Å; Q192-R197 VanDerWaalsContact CA-O 3.25Å; Q192-R197 WeakPolarHBondContact CA-O 3.37Å; Q192-R197 WeakPolarHBondContact CG-O 3.44Å; T193-R197 PolarHBondContact N-O 2.9Å; T193-R197 PolarHBondContact OG1-O 2.96Å; T193-R197 VanDerWaalsContact OG1-O 3.09Å; D195-R197 VanDerWaalsContact C-N 3.31Å; D195-R197 PolarHBondContact O-N 3.22Å; D195-R197 PolarHBondContact OD1-N 2.81Å; D195-R197 IonicContact OD1-NE 2.56Å; D195-R197 IonicContact OD2-CZ 3.7Å; D195-R197 IonicContact OD2-NE 2.84Å; D195-R197 PolarHBondContact OD2-NE 3.36Å; D195-R197 IonicContact OD2-NH2 3.63Å; D195-R197 PolarHBondContact OD2-NH2 3.49Å; R197-L205 HydrophobicContact CB-CB 4.02Å; R197-V206 CarbonylContact C-O 3.57Å; R197-V206 WeakPolarHBondContact CA-O 3.38Å | ||
| 198 | F | 98.2 | Very high | 96.4 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.5 | -178.6 | -60.9 | -83.4 | 0 | 0 | 0 | 110.7 | V183 H190 L191 Q192 R200 L205 V206 T209 T213 | V183-F198 HydrophobicContact CB-CE1 4.22Å; V183-F198 HydrophobicContact CG1-CE1 4.48Å; V183-F198 HydrophobicContact CG2-CE1 4.12Å; H190-F198 HydrophobicContact CB-CD1 3.66Å; H190-F198 HydrophobicContact CB-CE1 4.12Å; L191-F198 WeakPolarHBondContact O-CA 3.29Å; Q192-F198 HydrophobicContact CB-CD1 3.84Å; Q192-F198 HydrophobicContact CB-CE1 3.66Å; Q192-F198 HydrophobicContact CB-CZ 4.45Å; Q192-F198 HydrophobicContact CG-CD1 4Å; Q192-F198 HydrophobicContact CG-CE1 3.64Å; Q192-F198 HydrophobicContact CG-CZ 3.94Å; F198-R200 PolarHBondContact O-N 3.32Å; F198-L205 WeakPolarHBondContact O-CA 3.36Å; F198-V206 PolarHBondContact N-O 2.77Å; F198-V206 PolarHBondContact O-N 2.85Å; F198-T209 HydrophobicContact CD1-CG2 3.7Å; F198-T209 HydrophobicContact CD2-CG2 3.74Å; F198-T209 HydrophobicContact CE1-CG2 3.7Å; F198-T209 HydrophobicContact CE2-CG2 3.78Å; F198-T209 HydrophobicContact CG-CG2 3.7Å; F198-T209 HydrophobicContact CZ-CG2 3.76Å; F198-T213 HydrophobicContact CB-CG2 4.26Å |
| 199 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125 | 172.7 | -175.4 | 66.8 | 0 | 0 | 0 | 110.7 | I166 L191 T213 Y215 L234 M243 | I166-L199 HydrophobicContact CD1-CB 3.92Å; I166-L199 HydrophobicContact CD1-CD1 4.06Å; I166-L199 HydrophobicContact CD1-CD2 4.2Å; I166-L199 HydrophobicContact CD1-CG 4.27Å; I166-L199 HydrophobicContact CG1-CD1 4.24Å; L191-L199 HydrophobicContact CB-CB 4.06Å; L191-L199 HydrophobicContact CD2-CD2 4.11Å; L191-L199 PolarHBondContact O-N 3.4Å; L199-T213 VanDerWaalsContact O-CA 3.3Å; L199-T213 WeakPolarHBondContact O-CA 3.44Å; L199-T213 WeakPolarHBondContact O-CB 3.29Å; L199-Y215 PolarHBondContact O-OH 3.38Å; L199-L234 HydrophobicContact CD2-CD1 3.7Å; L199-L234 HydrophobicContact CD2-CD2 4.1Å; L199-M243 WeakPolarHBondContact CD1-O 3.49Å; L199-M243 HydrophobicContact CD2-CB 4.27Å; L199-M243 HydrophobicContact CD2-CG 3.87Å; L199-M243 HydrophobicContact CD2-SD 3.87Å |
| 200 | R | 98.3 | Very high | 96.6 | Very high | 78 Ų | 78 | 36.2 Ų | 36.2 | 29% | 0.294 | 21% | 0.208 | S | C | . | . | trans | -92.9 | 151.7 | 167.1 | -170.3 | 168.1 | 68.7 | -171 | 2.4 | 110.4 | F198 D202 G203 A204 T212 T213 Y215 | F198-R200 PolarHBondContact O-N 3.32Å; R200-D202 WeakPolarHBondContact CB-OD1 3.49Å; R200-D202 WeakPolarHBondContact CG-OD1 3.22Å; R200-D202 IonicContact CZ-OD1 2.74Å; R200-D202 IonicContact CZ-OD2 3.92Å; R200-D202 VanDerWaalsContact CZ-OD2 3.27Å; R200-D202 VanDerWaalsContact NE-CG 3.29Å; R200-D202 IonicContact NE-OD1 3.77Å; R200-D202 PolarHBondContact NE-OD1 3.2Å; R200-D202 IonicContact NE-OD2 2.79Å; R200-D202 PolarHBondContact NE-OD2 2.78Å; R200-D202 VanDerWaalsContact NE-OD2 3.11Å; R200-D202 IonicContact NH2-OD1 2.66Å; R200-D202 IonicContact NH2-OD2 3.51Å; R200-D202 PolarHBondContact NH2-OD2 3.12Å; R200-D202 PolarHBondContact O-N 3.14Å; R200-G203 PolarHBondContact O-N 3.36Å; R200-A204 WeakPolarHBondContact CB-O 3.43Å; R200-A204 PolarHBondContact N-O 3.44Å; R200-T212 WeakPolarHBondContact CD-OG1 3.4Å; R200-T212 VanDerWaalsContact CG-OG1 3.26Å; R200-T212 WeakPolarHBondContact CG-OG1 3.3Å; R200-T213 HydrophobicContact CB-CG2 4.15Å; R200-T213 HydrophobicContact CG-CG2 4.45Å; R200-Y215 PolarHBondContact O-OH 2.82Å | ||
| 201 | N | 97.5 | Very high | 96.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.4 | -176.4 | 70.6 | -17.1 | 0 | 0 | 0 | 115.7 | T212 Y215 D228 S245 | N201-T212 WeakPolarHBondContact CB-O 3.42Å; N201-T212 PolarHBondContact N-O 3.11Å; N201-Y215 WeakPolarHBondContact CA-OH 3.45Å; N201-Y215 HydrophobicContact CB-CE1 4.38Å; N201-Y215 PolarHBondContact N-OH 2.84Å; N201-Y215 VanDerWaalsContact N-OH 3.15Å; N201-D228 HydrophobicContact CB-CB 3.93Å; N201-D228 PolarHBondContact ND2-OD2 3.01Å; N201-S245 VanDerWaalsContact O-CB 3.27Å; N201-S245 WeakPolarHBondContact O-CB 3.13Å; N201-S245 PolarHBondContact O-N 3.06Å; N201-S245 PolarHBondContact O-OG 2.92Å |
| 202 | D | 97.4 | Very high | 96.3 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.6 | 173.1 | 65 | -11.5 | 0 | 0 | 0 | 114 | R200 A204 K244 | R200-D202 WeakPolarHBondContact CB-OD1 3.49Å; R200-D202 WeakPolarHBondContact CG-OD1 3.22Å; R200-D202 IonicContact CZ-OD1 2.74Å; R200-D202 IonicContact CZ-OD2 3.92Å; R200-D202 VanDerWaalsContact CZ-OD2 3.27Å; R200-D202 VanDerWaalsContact NE-CG 3.29Å; R200-D202 IonicContact NE-OD1 3.77Å; R200-D202 PolarHBondContact NE-OD1 3.2Å; R200-D202 IonicContact NE-OD2 2.79Å; R200-D202 PolarHBondContact NE-OD2 2.78Å; R200-D202 VanDerWaalsContact NE-OD2 3.11Å; R200-D202 IonicContact NH2-OD1 2.66Å; R200-D202 IonicContact NH2-OD2 3.51Å; R200-D202 PolarHBondContact NH2-OD2 3.12Å; R200-D202 PolarHBondContact O-N 3.14Å; D202-A204 WeakPolarHBondContact OD1-CB 3.33Å; D202-A204 PolarHBondContact OD1-N 2.84Å; D202-A204 VanDerWaalsContact OD1-N 3.14Å; D202-K244 WeakPolarHBondContact O-CD 3.26Å |
| 203 | G | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 101.4 | -5.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R200 | R200-G203 PolarHBondContact O-N 3.36Š|
| 204 | A | 97.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 26% | 0.256 | 25% | 0.251 | S | S | . | . | trans | -76.5 | 153.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R200 D202 | R200-A204 WeakPolarHBondContact CB-O 3.43Å; R200-A204 PolarHBondContact N-O 3.44Å; D202-A204 WeakPolarHBondContact OD1-CB 3.33Å; D202-A204 PolarHBondContact OD1-N 2.84Å; D202-A204 VanDerWaalsContact OD1-N 3.14Å | ||
| 205 | L | 98.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 44.7 Ų | 44.7 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.1 | 172.7 | -70 | 173.3 | 0 | 0 | 0 | 110.7 | L159 I166 T193 R197 F198 | L159-L205 HydrophobicContact CD1-CD1 3.39Å; I166-L205 HydrophobicContact CD1-CD2 4.31Å; I166-L205 HydrophobicContact CG1-CD2 4.03Å; T193-L205 HydrophobicContact CG2-CD2 3.93Å; R197-L205 HydrophobicContact CB-CB 4.02Å; F198-L205 WeakPolarHBondContact O-CA 3.36Å |
| 206 | V | 97.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 19% | 0.194 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.4 | -176 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | R197 F198 T208 T213 | R197-V206 CarbonylContact C-O 3.57Å; R197-V206 WeakPolarHBondContact CA-O 3.38Å; F198-V206 PolarHBondContact N-O 2.77Å; F198-V206 PolarHBondContact O-N 2.85Å; V206-T208 WeakPolarHBondContact CG2-O 3.27Å; V206-T213 HydrophobicContact CG2-CG2 3.48Å; V206-T213 VanDerWaalsContact CG2-CG2 3.48Å |
| 207 | A | 95.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -75.3 | -24.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 208 | T | 95.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 63% | 0.632 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -119.8 | 146.5 | -174.5 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | V206 | V206-T208 WeakPolarHBondContact CG2-O 3.27Š|
| 209 | T | 95.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 37.6 Ų | 37.6 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | trans | -82.7 | 137.6 | 175.9 | 52.5 | 0 | 0 | 0 | 0 | 111.7 | H190 F198 T213 | H190-T209 HydrophobicContact CB-CG2 4.15Å; F198-T209 HydrophobicContact CD1-CG2 3.7Å; F198-T209 HydrophobicContact CD2-CG2 3.74Å; F198-T209 HydrophobicContact CE1-CG2 3.7Å; F198-T209 HydrophobicContact CE2-CG2 3.78Å; F198-T209 HydrophobicContact CG-CG2 3.7Å; F198-T209 HydrophobicContact CZ-CG2 3.76Å; T209-T213 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 210 | D | 95 | Very high | 94.8 | Very high | 72 Ų | 72 | 41.3 Ų | 41.3 | 39% | 0.385 | 23% | 0.226 | S | C | . | . | trans | -143.5 | -172.1 | 167 | 68.2 | 25.1 | 0 | 0 | 0 | 110.7 | T212 T213 G214 | D210-T212 PolarHBondContact O-N 3.48Å; D210-T212 WeakPolarHBondContact OD1-CA 3.29Å; D210-T212 WeakPolarHBondContact OD1-CB 3.42Å; D210-T212 PolarHBondContact OD1-N 3.2Å; D210-T212 PolarHBondContact OD1-OG1 2.67Å; D210-T212 PolarHBondContact OD2-OG1 3.04Å; D210-T213 PolarHBondContact N-OG1 2.88Å; D210-T213 PolarHBondContact O-N 3.36Å; D210-T213 VanDerWaalsContact O-N 3.14Å; D210-T213 PolarHBondContact O-OG1 2.78Å; D210-T213 PolarHBondContact OD1-N 2.81Å; D210-G214 PolarHBondContact O-N 3.14Å | ||
| 211 | K | 93.9 | Very high | 93.9 | Very high | 155 Ų | 155 | 40 Ų | 40 | 67% | 0.674 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -56.5 | -32.6 | 178.3 | -66.6 | -176.9 | -179.1 | 178.6 | 0 | 113.8 | T213 G214 C229 | K211-T213 VanDerWaalsContact C-N 3.34Å; K211-G214 PolarHBondContact O-N 2.67Å; K211-C229 WeakPolarHBondContact O-CB 3.36Å |
| 212 | T | 96.4 | Very high | 92.9 | Very high | 41 Ų | 41 | 40.2 Ų | 40.2 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -80.1 | -16 | -177.3 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | R200 N201 D210 | R200-T212 WeakPolarHBondContact CD-OG1 3.4Å; R200-T212 VanDerWaalsContact CG-OG1 3.26Å; R200-T212 WeakPolarHBondContact CG-OG1 3.3Å; N201-T212 WeakPolarHBondContact CB-O 3.42Å; N201-T212 PolarHBondContact N-O 3.11Å; D210-T212 PolarHBondContact O-N 3.48Å; D210-T212 WeakPolarHBondContact OD1-CA 3.29Å; D210-T212 WeakPolarHBondContact OD1-CB 3.42Å; D210-T212 PolarHBondContact OD1-N 3.2Å; D210-T212 PolarHBondContact OD1-OG1 2.67Å; D210-T212 PolarHBondContact OD2-OG1 3.04Å |
| 213 | T | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -95.7 | -5.1 | 170.7 | 65 | 0 | 0 | 0 | 0 | 113.6 | H190 F198 L199 R200 V206 T209 D210 K211 Y215 | H190-T213 PolarHBondContact CE1-OG1 2.96Å; H190-T213 PolarHBondContact ND1-O 2.84Å; H190-T213 PolarHBondContact ND1-OG1 3.43Å; F198-T213 HydrophobicContact CB-CG2 4.26Å; L199-T213 VanDerWaalsContact O-CA 3.3Å; L199-T213 WeakPolarHBondContact O-CA 3.44Å; L199-T213 WeakPolarHBondContact O-CB 3.29Å; R200-T213 HydrophobicContact CB-CG2 4.15Å; R200-T213 HydrophobicContact CG-CG2 4.45Å; V206-T213 HydrophobicContact CG2-CG2 3.48Å; V206-T213 VanDerWaalsContact CG2-CG2 3.48Å; T209-T213 WeakPolarHBondContact CA-OG1 3.45Å; D210-T213 PolarHBondContact N-OG1 2.88Å; D210-T213 PolarHBondContact O-N 3.36Å; D210-T213 VanDerWaalsContact O-N 3.14Å; D210-T213 PolarHBondContact O-OG1 2.78Å; D210-T213 PolarHBondContact OD1-N 2.81Å; K211-T213 VanDerWaalsContact C-N 3.34Å; T213-Y215 VanDerWaalsContact O-CD2 3.28Å; T213-Y215 WeakPolarHBondContact O-CD2 3.18Å; T213-Y215 WeakPolarHBondContact O-CE2 3.3Å |
| 214 | G | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -100.2 | 122.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R188 D210 K211 | R188-G214 PolarHBondContact NH1-O 3.23Å; D210-G214 PolarHBondContact O-N 3.14Å; K211-G214 PolarHBondContact O-N 2.67Å | ||
| 215 | Y | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -115.7 | 143.9 | -176.3 | -54.1 | -86 | 0 | 0 | 0 | 112.4 | Y189 L191 L199 R200 N201 T213 F226 R227 D228 L234 | Y189-Y215 PolarHBondContact N-O 2.86Å; Y189-Y215 WeakPolarHBondContact O-CD2 3.32Å; Y189-Y215 PolarHBondContact O-N 2.93Å; L191-Y215 HydrophobicContact CD1-CD2 3.72Å; L191-Y215 HydrophobicContact CD1-CE2 4.13Å; L191-Y215 HydrophobicContact CD1-CG 4.45Å; L199-Y215 PolarHBondContact O-OH 3.38Å; R200-Y215 PolarHBondContact O-OH 2.82Å; N201-Y215 WeakPolarHBondContact CA-OH 3.45Å; N201-Y215 HydrophobicContact CB-CE1 4.38Å; N201-Y215 PolarHBondContact N-OH 2.84Å; N201-Y215 VanDerWaalsContact N-OH 3.15Å; T213-Y215 VanDerWaalsContact O-CD2 3.28Å; T213-Y215 WeakPolarHBondContact O-CD2 3.18Å; T213-Y215 WeakPolarHBondContact O-CE2 3.3Å; Y215-F226 HydrophobicContact CD1-CB 4.11Å; Y215-F226 HydrophobicContact CG-CB 4.2Å; Y215-R227 CarbonylContact C-O 3.53Å; Y215-R227 VanDerWaalsContact CA-O 3.24Å; Y215-R227 WeakPolarHBondContact CA-O 3.45Å; Y215-D228 HydrophobicContact CD1-CB 4.12Å; Y215-D228 HydrophobicContact CE1-CB 4.05Å; Y215-L234 HydrophobicContact CD1-CD1 4.09Å; Y215-L234 HydrophobicContact CD1-CD2 4.4Å; Y215-L234 HydrophobicContact CD1-CG 4.01Å; Y215-L234 HydrophobicContact CE1-CD1 3.78Å; Y215-L234 HydrophobicContact CE1-CD2 3.52Å; Y215-L234 HydrophobicContact CE1-CG 3.61Å; Y215-L234 HydrophobicContact CE2-CD1 4.39Å |
| 216 | T | 94.3 | Very high | 92 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.5 | 167.3 | -45.5 | 0 | 0 | 0 | 0 | 108.3 | A99 H100 G103 R227 | A99-T216 HydrophobicContact CB-CG2 4.16Å; H100-T216 PolarHBondContact O-OG1 3.49Å; G103-T216 WeakPolarHBondContact CA-OG1 3.39Å; T216-R227 PolarHBondContact N-O 2.71Å; T216-R227 PolarHBondContact O-N 2.9Å |
| 217 | L | 92.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.6 | 173 | -53.4 | -176.5 | 0 | 0 | 0 | 109.2 | W105 I140 Y189 F219 V224 F226 | W105-L217 VanDerWaalsContact CE2-O 3.27Å; W105-L217 VanDerWaalsContact CZ2-O 3.24Å; W105-L217 WeakPolarHBondContact CZ2-O 3.35Å; W105-L217 PolarHBondContact NE1-O 3.28Å; I140-L217 HydrophobicContact CG2-CD1 3.63Å; Y189-L217 HydrophobicContact CD2-CD1 3.53Å; Y189-L217 HydrophobicContact CD2-CD2 4.17Å; Y189-L217 HydrophobicContact CD2-CG 3.55Å; Y189-L217 HydrophobicContact CE2-CD1 3.61Å; Y189-L217 HydrophobicContact CE2-CG 4.07Å; Y189-L217 HydrophobicContact CG-CD1 4.09Å; Y189-L217 HydrophobicContact CG-CD2 4.3Å; Y189-L217 HydrophobicContact CG-CG 4.15Å; L217-F219 HydrophobicContact CB-CE1 4.42Å; L217-F219 HydrophobicContact CB-CZ 4.08Å; L217-F219 HydrophobicContact CD1-CZ 4.03Å; L217-V224 HydrophobicContact CB-CG2 4.02Å; L217-V224 HydrophobicContact CD2-CG2 3.97Å; L217-V224 HydrophobicContact CG-CG2 4.43Å; L217-F226 HydrophobicContact CD2-CD1 3.49Å; L217-F226 VanDerWaalsContact CD2-CD1 3.49Å; L217-F226 HydrophobicContact CD2-CE1 3.47Å; L217-F226 VanDerWaalsContact CD2-CE1 3.47Å |
| 218 | E | 90.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.6 | 169 | -177.1 | 173.6 | 135.1 | 0 | 0 | 108.5 | R220 V224 A225 Y233 | E218-R220 IonicContact OE1-CZ 2.82Å; E218-R220 VanDerWaalsContact OE1-CZ 3.23Å; E218-R220 IonicContact OE1-NE 2.6Å; E218-R220 PolarHBondContact OE1-NE 2.78Å; E218-R220 IonicContact OE1-NH2 3.02Å; E218-R220 PolarHBondContact OE1-NH2 3.47Å; E218-V224 CarbonylContact O-C 3.59Å; E218-V224 WeakPolarHBondContact O-CA 3.28Å; E218-A225 HydrophobicContact CB-CB 4.5Å; E218-A225 PolarHBondContact N-O 2.6Å; E218-A225 PolarHBondContact O-N 2.81Å; E218-Y233 HydrophobicContact CB-CE1 4.48Å; E218-Y233 PolarHBondContact OE2-OH 2.82Å |
| 219 | F | 85.6 | Confident | 91.8 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.5 | -178.3 | -57.6 | -64.9 | 0 | 0 | 0 | 111.6 | I16 L52 F64 W105 V138 I140 L217 K223 V224 | I16-F219 HydrophobicContact CD1-CB 4.03Å; I16-F219 HydrophobicContact CD1-CD1 3.36Å; I16-F219 HydrophobicContact CD1-CD2 4.27Å; I16-F219 HydrophobicContact CD1-CE1 3.82Å; I16-F219 HydrophobicContact CD1-CG 3.63Å; I16-F219 HydrophobicContact CD1-CZ 4.46Å; I16-F219 HydrophobicContact CG1-CD1 4.31Å; I16-F219 HydrophobicContact CG1-CE1 4.29Å; I16-F219 HydrophobicContact CG2-CD1 4.45Å; I16-F219 HydrophobicContact CG2-CD2 4.12Å; I16-F219 HydrophobicContact CG2-CE1 4Å; I16-F219 HydrophobicContact CG2-CE2 3.65Å; I16-F219 HydrophobicContact CG2-CZ 3.58Å; L52-F219 HydrophobicContact CD2-CB 3.89Å; L52-F219 HydrophobicContact CD2-CD2 3.94Å; L52-F219 HydrophobicContact CD2-CG 4.33Å; F64-F219 VanDerWaalsContact CZ-O 3.26Å; F64-F219 WeakPolarHBondContact CZ-O 3.49Å; W105-F219 AromaticContact CH2-CD2 3.39Å; W105-F219 HydrophobicContact CH2-CD2 3.39Å; W105-F219 AromaticContact CH2-CE2 3.53Å; W105-F219 HydrophobicContact CH2-CE2 3.53Å; W105-F219 AromaticContact CZ2-CD2 3.69Å; W105-F219 HydrophobicContact CZ2-CD2 3.69Å; W105-F219 AromaticContact CZ2-CE2 3.8Å; W105-F219 HydrophobicContact CZ2-CE2 3.8Å; V138-F219 HydrophobicContact CG1-CE2 4.34Å; I140-F219 HydrophobicContact CG2-CZ 4.4Å; L217-F219 HydrophobicContact CB-CE1 4.42Å; L217-F219 HydrophobicContact CB-CZ 4.08Å; L217-F219 HydrophobicContact CD1-CZ 4.03Å; F219-K223 CarbonylContact C-O 3.54Å; F219-K223 VanDerWaalsContact CA-O 3.25Å; F219-K223 WeakPolarHBondContact CA-O 3.16Å; F219-V224 HydrophobicContact CD1-CB 3.96Å; F219-V224 HydrophobicContact CD1-CG2 3.94Å; F219-V224 HydrophobicContact CE1-CB 4.05Å; F219-V224 HydrophobicContact CE1-CG2 3.76Å |
| 220 | R | 81.9 | Confident | 91.7 | Very high | 78 Ų | 78 | 30.7 Ų | 30.7 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 118.8 | 174.6 | -62.4 | -167.4 | 180 | -155.6 | -2.4 | 109.7 | E218 G222 K223 V251 L256 | E218-R220 IonicContact OE1-CZ 2.82Å; E218-R220 VanDerWaalsContact OE1-CZ 3.23Å; E218-R220 IonicContact OE1-NE 2.6Å; E218-R220 PolarHBondContact OE1-NE 2.78Å; E218-R220 IonicContact OE1-NH2 3.02Å; E218-R220 PolarHBondContact OE1-NH2 3.47Å; R220-G222 VanDerWaalsContact C-N 3.31Å; R220-G222 PolarHBondContact O-N 2.89Å; R220-K223 PolarHBondContact N-O 2.82Å; R220-K223 WeakPolarHBondContact O-CA 3.44Å; R220-K223 WeakPolarHBondContact O-CB 3.24Å; R220-K223 PolarHBondContact O-N 2.84Å; R220-V251 PolarHBondContact NH1-O 2.79Å; R220-L256 HydrophobicContact CB-CD2 4.1Å |
| 221 | S | 78.1 | Confident | 91.6 | Very high | 50 Ų | 50 | 27.5 Ų | 27.5 | 35% | 0.35 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 47 | 174.4 | -50.7 | 0 | 0 | 0 | 0 | 114.4 | M13 Q54 K223 | M13-S221 VanDerWaalsContact CE-O 3.27Å; M13-S221 WeakPolarHBondContact CE-O 3.11Å; Q54-S221 PolarHBondContact OE1-OG 2.94Å; S221-K223 PolarHBondContact O-N 2.97Å; S221-K223 PolarHBondContact O-NZ 3.32Å; S221-K223 VanDerWaalsContact O-NZ 3.1Å |
| 222 | G | 77.9 | Confident | 91.6 | Very high | 37 Ų | 37 | 24.3 Ų | 24.3 | 38% | 0.381 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 29 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R220 | R220-G222 VanDerWaalsContact C-N 3.31Å; R220-G222 PolarHBondContact O-N 2.89Å |
| 223 | K | 88.4 | Confident | 91.7 | Very high | 41 Ų | 41 | 22.7 Ų | 22.7 | 18% | 0.178 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 162.8 | 170.3 | -51.8 | -64 | 159.6 | -72.5 | 0 | 108.7 | V151 F219 R220 S221 L256 F257 V258 | V151-K223 HydrophobicContact CG2-CD 3.83Å; V151-K223 HydrophobicContact CG2-CG 4.35Å; F219-K223 CarbonylContact C-O 3.54Å; F219-K223 VanDerWaalsContact CA-O 3.25Å; F219-K223 WeakPolarHBondContact CA-O 3.16Å; R220-K223 PolarHBondContact N-O 2.82Å; R220-K223 WeakPolarHBondContact O-CA 3.44Å; R220-K223 WeakPolarHBondContact O-CB 3.24Å; R220-K223 PolarHBondContact O-N 2.84Å; S221-K223 PolarHBondContact O-N 2.97Å; S221-K223 PolarHBondContact O-NZ 3.32Å; S221-K223 VanDerWaalsContact O-NZ 3.1Å; K223-L256 HydrophobicContact CB-CB 4.2Å; K223-L256 HydrophobicContact CB-CD2 3.98Å; K223-L256 HydrophobicContact CB-CG 4.49Å; K223-F257 CarbonylContact C-O 3.48Å; K223-F257 VanDerWaalsContact CA-O 3.26Å; K223-F257 WeakPolarHBondContact CA-O 3.45Å; K223-F257 WeakPolarHBondContact CB-O 3.42Å; K223-V258 HydrophobicContact CD-CB 4.41Å; K223-V258 HydrophobicContact CD-CG2 3.37Å |
| 224 | V | 91.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.2 | 176.7 | 68.3 | 0 | 0 | 0 | 0 | 110.2 | L217 E218 F219 F226 F257 L259 | L217-V224 HydrophobicContact CB-CG2 4.02Å; L217-V224 HydrophobicContact CD2-CG2 3.97Å; L217-V224 HydrophobicContact CG-CG2 4.43Å; E218-V224 CarbonylContact O-C 3.59Å; E218-V224 WeakPolarHBondContact O-CA 3.28Å; F219-V224 HydrophobicContact CD1-CB 3.96Å; F219-V224 HydrophobicContact CD1-CG2 3.94Å; F219-V224 HydrophobicContact CE1-CB 4.05Å; F219-V224 HydrophobicContact CE1-CG2 3.76Å; V224-F226 HydrophobicContact CG1-CE2 3.86Å; V224-F226 HydrophobicContact CG1-CZ 3.87Å; V224-F257 HydrophobicContact CG1-CB 4.06Å; V224-F257 PolarHBondContact N-O 3.15Å; V224-F257 PolarHBondContact O-N 3.29Å; V224-L259 HydrophobicContact CG1-CD1 3.99Å; V224-L259 HydrophobicContact CG1-CD2 3.84Å; V224-L259 HydrophobicContact CG1-CG 3.63Å |
| 225 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | E218 Y233 V251 E255 L256 | E218-A225 HydrophobicContact CB-CB 4.5Å; E218-A225 PolarHBondContact N-O 2.6Å; E218-A225 PolarHBondContact O-N 2.81Å; A225-Y233 HydrophobicContact CB-CD1 3.81Å; A225-Y233 HydrophobicContact CB-CE1 4.23Å; A225-V251 HydrophobicContact CB-CB 4.49Å; A225-V251 HydrophobicContact CB-CG1 3.81Å; A225-V251 HydrophobicContact CB-CG2 3.81Å; A225-E255 WeakPolarHBondContact CA-O 3.49Å; A225-E255 VanDerWaalsContact CB-O 3.31Å; A225-E255 WeakPolarHBondContact CB-O 3.14Å; A225-L256 HydrophobicContact CB-CD2 4.49Å |
| 226 | F | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 104.7 | -177.7 | -60.7 | -88.8 | 0 | 0 | 0 | 109.6 | I148 L182 L191 Y215 L217 V224 Y233 L234 M243 F257 L259 | I148-F226 HydrophobicContact CD1-CZ 4.15Å; L182-F226 HydrophobicContact CD2-CE1 4.2Å; L191-F226 HydrophobicContact CD1-CD1 3.81Å; L191-F226 HydrophobicContact CD1-CE1 3.82Å; L191-F226 HydrophobicContact CD2-CE1 4.44Å; L191-F226 HydrophobicContact CD2-CZ 4.45Å; L191-F226 HydrophobicContact CG-CE1 4.45Å; Y215-F226 HydrophobicContact CD1-CB 4.11Å; Y215-F226 HydrophobicContact CG-CB 4.2Å; L217-F226 HydrophobicContact CD2-CD1 3.49Å; L217-F226 VanDerWaalsContact CD2-CD1 3.49Å; L217-F226 HydrophobicContact CD2-CE1 3.47Å; L217-F226 VanDerWaalsContact CD2-CE1 3.47Å; V224-F226 HydrophobicContact CG1-CE2 3.86Å; V224-F226 HydrophobicContact CG1-CZ 3.87Å; F226-Y233 CarbonylContact O-C 3.43Å; F226-Y233 VanDerWaalsContact O-CA 3.27Å; F226-Y233 WeakPolarHBondContact O-CA 3.36Å; F226-L234 HydrophobicContact CB-CB 4.05Å; F226-L234 HydrophobicContact CB-CD1 3.6Å; F226-L234 HydrophobicContact CB-CG 3.78Å; F226-L234 HydrophobicContact CD2-CD1 4.17Å; F226-L234 HydrophobicContact CG-CD1 3.95Å; F226-L234 PolarHBondContact O-N 3.18Å; F226-M243 HydrophobicContact CD2-CE 4.49Å; F226-M243 HydrophobicContact CE2-CE 4.38Å; F226-F257 AromaticContact CD2-CD2 3.69Å; F226-F257 HydrophobicContact CD2-CD2 3.69Å; F226-F257 AromaticContact CD2-CE2 3.99Å; F226-F257 HydrophobicContact CD2-CE2 3.99Å; F226-F257 HydrophobicContact CE2-CB 4.25Å; F226-F257 AromaticContact CE2-CD2 3.71Å; F226-F257 HydrophobicContact CE2-CD2 3.71Å; F226-F257 HydrophobicContact CE2-CE2 4.37Å; F226-F257 HydrophobicContact CE2-CG 4.1Å; F226-L259 HydrophobicContact CZ-CD2 4.18Å |
| 227 | R | 95.9 | Very high | 91.9 | Very high | 42 Ų | 42 | 26.1 Ų | 26.1 | 16% | 0.158 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.3 | 179.9 | -170.6 | -179.6 | 176.5 | 157.5 | -6.3 | 110.9 | A99 D101 Y215 T216 K232 Y233 | A99-R227 PolarHBondContact O-NH1 3.1Å; D101-R227 IonicContact OD1-CZ 2.74Å; D101-R227 VanDerWaalsContact OD1-CZ 3.23Å; D101-R227 IonicContact OD1-NE 2.69Å; D101-R227 PolarHBondContact OD1-NE 2.93Å; D101-R227 IonicContact OD1-NH2 3.67Å; D101-R227 PolarHBondContact OD1-NH2 2.83Å; Y215-R227 CarbonylContact C-O 3.53Å; Y215-R227 VanDerWaalsContact CA-O 3.24Å; Y215-R227 WeakPolarHBondContact CA-O 3.45Å; T216-R227 PolarHBondContact N-O 2.71Å; T216-R227 PolarHBondContact O-N 2.9Å; R227-K232 CarbonylContact C-O 3.52Å; R227-K232 VanDerWaalsContact CA-O 3.3Å; R227-K232 WeakPolarHBondContact CA-O 3.38Å; R227-Y233 HydrophobicContact CB-CD1 3.88Å; R227-Y233 HydrophobicContact CB-CE1 3.53Å; R227-Y233 HydrophobicContact CG-CD1 4.39Å; R227-Y233 HydrophobicContact CG-CE1 3.9Å; R227-Y233 HydrophobicContact CG-CE2 4.44Å |
| 228 | D | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | trans | -80.3 | 178.3 | 178.4 | 79.5 | 6.7 | 0 | 0 | 0 | 113.4 | N201 Y215 S230 G231 K232 S245 | N201-D228 HydrophobicContact CB-CB 3.93Å; N201-D228 PolarHBondContact ND2-OD2 3.01Å; Y215-D228 HydrophobicContact CD1-CB 4.12Å; Y215-D228 HydrophobicContact CE1-CB 4.05Å; D228-S230 PolarHBondContact O-N 3.29Å; D228-S230 VanDerWaalsContact O-N 3.12Å; D228-S230 VanDerWaalsContact OD1-CA 3.29Å; D228-S230 WeakPolarHBondContact OD1-CA 3.23Å; D228-S230 WeakPolarHBondContact OD1-CB 3.38Å; D228-S230 PolarHBondContact OD1-N 2.81Å; D228-S230 PolarHBondContact OD1-OG 2.99Å; D228-S230 PolarHBondContact OD2-OG 2.77Å; D228-G231 PolarHBondContact O-N 2.8Å; D228-G231 PolarHBondContact OD1-N 2.79Å; D228-G231 VanDerWaalsContact OD1-N 3.11Å; D228-K232 PolarHBondContact N-O 2.62Å; D228-K232 PolarHBondContact OD1-N 3.26Å; D228-S245 WeakPolarHBondContact CB-OG 3.38Å; D228-S245 VanDerWaalsContact CG-OG 3.28Å; D228-S245 VanDerWaalsContact OD2-CB 3.23Å; D228-S245 WeakPolarHBondContact OD2-CB 3.28Å; D228-S245 PolarHBondContact OD2-OG 3.18Å | ||
| 229 | C | 93.2 | Very high | 92.3 | Very high | 41 Ų | 41 | 34 Ų | 34 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.9 | 179.6 | 67.2 | 0 | 0 | 0 | 0 | 115.4 | K211 | K211-C229 WeakPolarHBondContact O-CB 3.36Š|
| 230 | S | 93 | Very high | 92.8 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 5.7 | 178.1 | 74 | 0 | 0 | 0 | 0 | 113.2 | D228 K232 | D228-S230 PolarHBondContact O-N 3.29Å; D228-S230 VanDerWaalsContact O-N 3.12Å; D228-S230 VanDerWaalsContact OD1-CA 3.29Å; D228-S230 WeakPolarHBondContact OD1-CA 3.23Å; D228-S230 WeakPolarHBondContact OD1-CB 3.38Å; D228-S230 PolarHBondContact OD1-N 2.81Å; D228-S230 PolarHBondContact OD1-OG 2.99Å; D228-S230 PolarHBondContact OD2-OG 2.77Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 WeakPolarHBondContact OG-CD 3.4Å |
| 231 | G | 93 | Very high | 93.5 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 79.1 | 12.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D101 D228 | D101-G231 WeakPolarHBondContact OD1-CA 3.16Å; D101-G231 PolarHBondContact OD1-N 2.95Å; D228-G231 PolarHBondContact O-N 2.8Å; D228-G231 PolarHBondContact OD1-N 2.79Å; D228-G231 VanDerWaalsContact OD1-N 3.11Å |
| 232 | K | 95.5 | Very high | 94.5 | Very high | 89 Ų | 89 | 29.7 Ų | 29.7 | 39% | 0.387 | 19% | 0.193 | S | C | . | . | trans | -97.3 | 166.9 | 175.3 | -60.6 | 172.6 | -172.6 | 172.1 | 0 | 110 | R227 D228 S230 G246 | R227-K232 CarbonylContact C-O 3.52Å; R227-K232 VanDerWaalsContact CA-O 3.3Å; R227-K232 WeakPolarHBondContact CA-O 3.38Å; D228-K232 PolarHBondContact N-O 2.62Å; D228-K232 PolarHBondContact OD1-N 3.26Å; S230-K232 VanDerWaalsContact C-N 3.32Å; S230-K232 WeakPolarHBondContact OG-CD 3.4Å; K232-G246 WeakPolarHBondContact CD-O 3.41Å | ||
| 233 | Y | 97.1 | Very high | 95.5 | Very high | 6 Ų | 6 | 28 Ų | 28 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -118.6 | 146.3 | -175.7 | -64.3 | -91.6 | 0 | 0 | 0 | 112.1 | E218 A225 F226 R227 S245 G246 A249 V251 E255 | E218-Y233 HydrophobicContact CB-CE1 4.48Å; E218-Y233 PolarHBondContact OE2-OH 2.82Å; A225-Y233 HydrophobicContact CB-CD1 3.81Å; A225-Y233 HydrophobicContact CB-CE1 4.23Å; F226-Y233 CarbonylContact O-C 3.43Å; F226-Y233 VanDerWaalsContact O-CA 3.27Å; F226-Y233 WeakPolarHBondContact O-CA 3.36Å; R227-Y233 HydrophobicContact CB-CD1 3.88Å; R227-Y233 HydrophobicContact CB-CE1 3.53Å; R227-Y233 HydrophobicContact CG-CD1 4.39Å; R227-Y233 HydrophobicContact CG-CE1 3.9Å; R227-Y233 HydrophobicContact CG-CE2 4.44Å; Y233-S245 CarbonylContact O-C 3.5Å; Y233-S245 WeakPolarHBondContact O-CA 3.29Å; Y233-G246 PolarHBondContact O-N 3.36Å; Y233-A249 WeakPolarHBondContact CE2-O 3.48Å; Y233-V251 HydrophobicContact CD1-CG2 3.65Å; Y233-V251 HydrophobicContact CD2-CG2 4.17Å; Y233-V251 HydrophobicContact CE1-CG2 3.31Å; Y233-V251 HydrophobicContact CE2-CG2 3.93Å; Y233-V251 HydrophobicContact CG-CG2 4.06Å; Y233-V251 VanDerWaalsContact CZ-CG2 3.5Å; Y233-E255 VanDerWaalsContact CB-CG 3.41Å; Y233-E255 HydrophobicContact CG-CG 4.23Å |
| 234 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 134.6 | 168.6 | -66.2 | -176.2 | 0 | 0 | 0 | 110.4 | L191 L199 Y215 F226 M243 K244 E255 F257 | L191-L234 HydrophobicContact CD2-CD1 4.05Å; L199-L234 HydrophobicContact CD2-CD1 3.7Å; L199-L234 HydrophobicContact CD2-CD2 4.1Å; Y215-L234 HydrophobicContact CD1-CD1 4.09Å; Y215-L234 HydrophobicContact CD1-CD2 4.4Å; Y215-L234 HydrophobicContact CD1-CG 4.01Å; Y215-L234 HydrophobicContact CE1-CD1 3.78Å; Y215-L234 HydrophobicContact CE1-CD2 3.52Å; Y215-L234 HydrophobicContact CE1-CG 3.61Å; Y215-L234 HydrophobicContact CE2-CD1 4.39Å; F226-L234 HydrophobicContact CB-CB 4.05Å; F226-L234 HydrophobicContact CB-CD1 3.6Å; F226-L234 HydrophobicContact CB-CG 3.78Å; F226-L234 HydrophobicContact CD2-CD1 4.17Å; F226-L234 HydrophobicContact CG-CD1 3.95Å; F226-L234 PolarHBondContact O-N 3.18Å; L234-M243 HydrophobicContact CB-CG 4.39Å; L234-M243 HydrophobicContact CD1-CE 4.23Å; L234-M243 HydrophobicContact CD1-CG 4.19Å; L234-M243 HydrophobicContact CD1-SD 4.19Å; L234-K244 WeakPolarHBondContact CA-O 3.29Å; L234-K244 VanDerWaalsContact CD2-C 3.49Å; L234-E255 WeakPolarHBondContact O-CA 3.4Å; L234-F257 HydrophobicContact CB-CE2 4.33Å; L234-F257 WeakPolarHBondContact O-CE2 3.42Å |
| 235 | A | 97.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 151.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | S237 K244 D254 E255 | A235-S237 PolarHBondContact O-N 3.12Å; A235-K244 PolarHBondContact N-O 2.89Å; A235-K244 PolarHBondContact O-N 3.24Å; A235-K244 VanDerWaalsContact O-O 3.07Å; A235-D254 HydrophobicContact CB-CB 4.37Å; A235-E255 HydrophobicContact CB-CG 4.33Å |
| 236 | P | 97.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 31.4 Ų | 31.4 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.7 | 175 | -12 | 24 | 0 | 0 | 0 | 112 | S150 R153 I168 D254 F257 | S150-P236 WeakPolarHBondContact OG-CG 3.48Å; R153-P236 HydrophobicContact CG-CB 3.73Å; R153-P236 HydrophobicContact CG-CG 3.76Å; I168-P236 HydrophobicContact CB-CB 4.31Å; I168-P236 HydrophobicContact CD1-CB 3.89Å; I168-P236 HydrophobicContact CD1-CG 3.7Å; I168-P236 HydrophobicContact CG2-CG 4.5Å; P236-D254 WeakPolarHBondContact CD-O 3.39Å; P236-F257 HydrophobicContact CG-CE1 4.42Å |
| 237 | S | 96.6 | Very high | 95.7 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 34% | 0.336 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.1 | -177.3 | -164 | 0 | 0 | 0 | 0 | 112.9 | A235 G241 T242 K244 | A235-S237 PolarHBondContact O-N 3.12Å; S237-G241 CarbonylContact O-C 3.59Å; S237-G241 VanDerWaalsContact O-CA 3.25Å; S237-G241 WeakPolarHBondContact O-CA 3.49Å; S237-G241 PolarHBondContact O-N 2.66Å; S237-T242 PolarHBondContact N-O 3.23Å; S237-T242 PolarHBondContact O-N 2.77Å; S237-K244 WeakPolarHBondContact OG-CE 3.26Å |
| 238 | G | 95.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 42% | 0.423 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | -173.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R153 G241 | R153-G238 PolarHBondContact NH1-O 2.95Å; R153-G238 VanDerWaalsContact NH1-O 3.12Å; R153-G238 PolarHBondContact NH2-O 2.87Å; G238-G241 PolarHBondContact O-N 3.22Å |
| 239 | P | 95.2 | Very high | 94.7 | Very high | 133 Ų | 133 | 44.9 Ų | 44.9 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -51.1 | -173.3 | -26 | 36.1 | 0 | 0 | 0 | 114.2 | R153 G241 | R153-P239 PolarHBondContact NH1-O 3.12Å; R153-P239 VanDerWaalsContact NH1-O 3.15Å; P239-G241 PolarHBondContact O-N 3.09Å |
| 240 | S | 95.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.1 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | E165 I168 | E165-S240 WeakPolarHBondContact OE1-CB 3.43Å; E165-S240 PolarHBondContact OE1-OG 2.79Å; I168-S240 CarbonylContact C-O 3.56Å; I168-S240 PolarHBondContact N-O 3.11Å |
| 241 | G | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 39 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I168 S237 G238 P239 M243 | I168-G241 WeakPolarHBondContact CB-O 3.35Å; I168-G241 WeakPolarHBondContact CG1-O 3.41Å; I168-G241 PolarHBondContact N-O 2.9Å; S237-G241 CarbonylContact O-C 3.59Å; S237-G241 VanDerWaalsContact O-CA 3.25Å; S237-G241 WeakPolarHBondContact O-CA 3.49Å; S237-G241 PolarHBondContact O-N 2.66Å; G238-G241 PolarHBondContact O-N 3.22Å; P239-G241 PolarHBondContact O-N 3.09Å; G241-M243 PolarHBondContact O-N 3.15Å; G241-M243 VanDerWaalsContact O-N 3.13Å |
| 242 | T | 98.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -37.7 | 118.6 | 172 | -48.3 | 0 | 0 | 0 | 0 | 111 | E165 S237 K244 | E165-T242 HydrophobicContact CB-CG2 4.3Å; E165-T242 VanDerWaalsContact CD-OG1 3.28Å; E165-T242 PolarHBondContact OE1-OG1 3.35Å; E165-T242 VanDerWaalsContact OE2-CB 3.28Å; E165-T242 WeakPolarHBondContact OE2-CB 3.35Å; E165-T242 WeakPolarHBondContact OE2-CG2 3.24Å; E165-T242 PolarHBondContact OE2-OG1 2.93Å; S237-T242 PolarHBondContact N-O 3.23Å; S237-T242 PolarHBondContact O-N 2.77Å; T242-K244 HydrophobicContact CG2-CD 4.33Å; T242-K244 PolarHBondContact O-N 3.4Å |
| 243 | M | 98.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 108.6 | 178.8 | -166.5 | 176.8 | -139.3 | 0 | 0 | 109.6 | I148 I166 I168 L191 L199 F226 L234 G241 F257 | I148-M243 HydrophobicContact CG2-CE 4.1Å; I166-M243 HydrophobicContact CB-CB 4.04Å; I166-M243 HydrophobicContact CG2-CB 3.99Å; I166-M243 HydrophobicContact CG2-SD 4.1Å; I166-M243 PolarHBondContact O-N 3.4Å; I168-M243 HydrophobicContact CD1-CB 3.8Å; I168-M243 HydrophobicContact CD1-CE 4.21Å; I168-M243 HydrophobicContact CD1-CG 3.91Å; I168-M243 HydrophobicContact CD1-SD 4.37Å; I168-M243 HydrophobicContact CG1-CB 4.28Å; L191-M243 HydrophobicContact CD2-CE 4.24Å; L191-M243 HydrophobicContact CD2-SD 3.84Å; L199-M243 WeakPolarHBondContact CD1-O 3.49Å; L199-M243 HydrophobicContact CD2-CB 4.27Å; L199-M243 HydrophobicContact CD2-CG 3.87Å; L199-M243 HydrophobicContact CD2-SD 3.87Å; F226-M243 HydrophobicContact CD2-CE 4.49Å; F226-M243 HydrophobicContact CE2-CE 4.38Å; L234-M243 HydrophobicContact CB-CG 4.39Å; L234-M243 HydrophobicContact CD1-CE 4.23Å; L234-M243 HydrophobicContact CD1-CG 4.19Å; L234-M243 HydrophobicContact CD1-SD 4.19Å; G241-M243 PolarHBondContact O-N 3.15Å; G241-M243 VanDerWaalsContact O-N 3.13Å; M243-F257 HydrophobicContact CE-CD1 3.98Å; M243-F257 HydrophobicContact CE-CD2 4.43Å; M243-F257 HydrophobicContact CE-CE1 3.55Å; M243-F257 HydrophobicContact CE-CE2 4.03Å; M243-F257 HydrophobicContact CE-CG 4.41Å; M243-F257 HydrophobicContact CE-CZ 3.57Å |
| 244 | K | 98.2 | Very high | 94.1 | Very high | 71 Ų | 71 | 59 Ų | 59 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 167.7 | 177 | 65.6 | -175.9 | 177.2 | -166.2 | 0 | 111.6 | D202 L234 A235 S237 T242 G246 | D202-K244 WeakPolarHBondContact O-CD 3.26Å; L234-K244 WeakPolarHBondContact CA-O 3.29Å; L234-K244 VanDerWaalsContact CD2-C 3.49Å; A235-K244 PolarHBondContact N-O 2.89Å; A235-K244 PolarHBondContact O-N 3.24Å; A235-K244 VanDerWaalsContact O-O 3.07Å; S237-K244 WeakPolarHBondContact OG-CE 3.26Å; T242-K244 HydrophobicContact CG2-CD 4.33Å; T242-K244 PolarHBondContact O-N 3.4Å; K244-G246 PolarHBondContact O-N 3.25Å |
| 245 | S | 97.4 | Very high | 94 | Very high | 21 Ų | 21 | 59.9 Ų | 59.9 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 124.1 | 175.6 | -72.5 | 0 | 0 | 0 | 0 | 110.9 | N201 D228 Y233 | N201-S245 VanDerWaalsContact O-CB 3.27Å; N201-S245 WeakPolarHBondContact O-CB 3.13Å; N201-S245 PolarHBondContact O-N 3.06Å; N201-S245 PolarHBondContact O-OG 2.92Å; D228-S245 WeakPolarHBondContact CB-OG 3.38Å; D228-S245 VanDerWaalsContact CG-OG 3.28Å; D228-S245 VanDerWaalsContact OD2-CB 3.23Å; D228-S245 WeakPolarHBondContact OD2-CB 3.28Å; D228-S245 PolarHBondContact OD2-OG 3.18Å; Y233-S245 CarbonylContact O-C 3.5Å; Y233-S245 WeakPolarHBondContact O-CA 3.29Å |
| 246 | G | 92.7 | Very high | 93.8 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 25% | 0.247 | 34% | 0.342 | C | S | . | . | trans | -72.1 | -167.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K232 Y233 K244 | K232-G246 WeakPolarHBondContact CD-O 3.41Å; Y233-G246 PolarHBondContact O-N 3.36Å; K244-G246 PolarHBondContact O-N 3.25Å | ||
| 247 | K | 87.2 | Confident | 93.8 | Very high | 209 Ų | 209 | 59.8 Ų | 59.8 | 91% | 0.909 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -92.2 | -15.7 | 174.6 | -63.9 | -177.7 | -178.2 | 178.7 | 0 | 113 | ||
| 248 | S | 84.1 | Confident | 93.7 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | trans | -80.5 | 136.6 | -175 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | R250 | S248-R250 VanDerWaalsContact C-N 3.34Å; S248-R250 PolarHBondContact OG-N 2.62Å; S248-R250 PolarHBondContact OG-O 3.18Å | ||
| 249 | A | 87 | Confident | 93.6 | Very high | 71 Ų | 71 | 57.6 Ų | 57.6 | 59% | 0.587 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -94.7 | 8.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y233 | Y233-A249 WeakPolarHBondContact CE2-O 3.48Š|
| 250 | R | 88.8 | Confident | 93.4 | Very high | 206 Ų | 206 | 54.1 Ų | 54.1 | 78% | 0.777 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -124.2 | 138.9 | 176.6 | -62.6 | -175.7 | -175.6 | -172.6 | 1.2 | 109.5 | S248 G252 | S248-R250 VanDerWaalsContact C-N 3.34Å; S248-R250 PolarHBondContact OG-N 2.62Å; S248-R250 PolarHBondContact OG-O 3.18Å; R250-G252 PolarHBondContact O-N 2.72Å |
| 251 | V | 90.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -73 | 112.4 | 174.1 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | R220 A225 Y233 E255 L256 | R220-V251 PolarHBondContact NH1-O 2.79Å; A225-V251 HydrophobicContact CB-CB 4.49Å; A225-V251 HydrophobicContact CB-CG1 3.81Å; A225-V251 HydrophobicContact CB-CG2 3.81Å; Y233-V251 HydrophobicContact CD1-CG2 3.65Å; Y233-V251 HydrophobicContact CD2-CG2 4.17Å; Y233-V251 HydrophobicContact CE1-CG2 3.31Å; Y233-V251 HydrophobicContact CE2-CG2 3.93Å; Y233-V251 HydrophobicContact CG-CG2 4.06Å; Y233-V251 VanDerWaalsContact CZ-CG2 3.5Å; V251-E255 HydrophobicContact CG1-CB 4.01Å; V251-L256 HydrophobicContact CG1-CD2 3.5Å; V251-L256 VanDerWaalsContact CG1-CD2 3.5Å; V251-L256 HydrophobicContact CG1-CG 3.97Å | ||
| 252 | G | 91.1 | Very high | 93 | Very high | 35 Ų | 35 | 54.8 Ų | 54.8 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | trans | -101.4 | -162.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R250 D254 E255 L256 | R250-G252 PolarHBondContact O-N 2.72Å; G252-D254 VanDerWaalsContact C-N 3.3Å; G252-D254 PolarHBondContact O-N 2.72Å; G252-E255 VanDerWaalsContact CA-OE2 3.27Å; G252-E255 WeakPolarHBondContact CA-OE2 3.43Å; G252-E255 PolarHBondContact N-OE2 2.84Å; G252-L256 WeakPolarHBondContact O-CG 3.42Å | ||
| 253 | K | 92 | Very high | 92.8 | Very high | 162 Ų | 162 | 55.6 Ų | 55.6 | 70% | 0.704 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -67.4 | -32.3 | 177.6 | -70.4 | -174.7 | 178.9 | 179.9 | 0 | 112.6 | T152 E255 L256 | T152-K253 PolarHBondContact OG1-O 2.88Å; T152-K253 VanDerWaalsContact OG1-O 3.07Å; K253-E255 VanDerWaalsContact C-N 3.27Å; K253-E255 PolarHBondContact O-N 2.89Å; K253-L256 PolarHBondContact O-N 2.87Å |
| 254 | D | 95.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 55.5 Ų | 55.5 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27 | -175 | -63.8 | -11.8 | 0 | 0 | 0 | 112.6 | T152 A235 P236 G252 | T152-D254 VanDerWaalsContact CB-OD1 3.3Å; T152-D254 WeakPolarHBondContact CB-OD1 3.32Å; T152-D254 WeakPolarHBondContact CG2-OD1 3.21Å; T152-D254 VanDerWaalsContact OG1-CA 3.31Å; T152-D254 WeakPolarHBondContact OG1-CA 3.47Å; T152-D254 PolarHBondContact OG1-N 2.8Å; T152-D254 PolarHBondContact OG1-OD1 2.89Å; A235-D254 HydrophobicContact CB-CB 4.37Å; P236-D254 WeakPolarHBondContact CD-O 3.39Å; G252-D254 VanDerWaalsContact C-N 3.3Å; G252-D254 PolarHBondContact O-N 2.72Å |
| 255 | E | 96.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -1.6 | 178.5 | -66.2 | 69.3 | -146.9 | 0 | 0 | 113.6 | A225 Y233 L234 A235 V251 G252 K253 F257 | A225-E255 WeakPolarHBondContact CA-O 3.49Å; A225-E255 VanDerWaalsContact CB-O 3.31Å; A225-E255 WeakPolarHBondContact CB-O 3.14Å; Y233-E255 VanDerWaalsContact CB-CG 3.41Å; Y233-E255 HydrophobicContact CG-CG 4.23Å; L234-E255 WeakPolarHBondContact O-CA 3.4Å; A235-E255 HydrophobicContact CB-CG 4.33Å; V251-E255 HydrophobicContact CG1-CB 4.01Å; G252-E255 VanDerWaalsContact CA-OE2 3.27Å; G252-E255 WeakPolarHBondContact CA-OE2 3.43Å; G252-E255 PolarHBondContact N-OE2 2.84Å; K253-E255 VanDerWaalsContact C-N 3.27Å; K253-E255 PolarHBondContact O-N 2.89Å; E255-F257 WeakPolarHBondContact O-CD2 3.26Å; E255-F257 WeakPolarHBondContact O-CE2 3.25Å |
| 256 | L | 95.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | trans | -96.3 | 131 | -176.9 | -67.2 | 176.6 | 0 | 0 | 0 | 112.6 | V151 R220 K223 A225 V251 G252 K253 | V151-L256 HydrophobicContact CB-CB 4.3Å; V151-L256 WeakPolarHBondContact CB-O 3.39Å; V151-L256 HydrophobicContact CG2-CB 4Å; V151-L256 WeakPolarHBondContact CG2-O 3.49Å; V151-L256 PolarHBondContact N-O 3.26Å; V151-L256 VanDerWaalsContact N-O 3.11Å; R220-L256 HydrophobicContact CB-CD2 4.1Å; K223-L256 HydrophobicContact CB-CB 4.2Å; K223-L256 HydrophobicContact CB-CD2 3.98Å; K223-L256 HydrophobicContact CB-CG 4.49Å; A225-L256 HydrophobicContact CB-CD2 4.49Å; V251-L256 HydrophobicContact CG1-CD2 3.5Å; V251-L256 VanDerWaalsContact CG1-CD2 3.5Å; V251-L256 HydrophobicContact CG1-CG 3.97Å; G252-L256 WeakPolarHBondContact O-CG 3.42Å; K253-L256 PolarHBondContact O-N 2.87Å | ||
| 257 | F | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.7 | 177.6 | -54.6 | -85.4 | 0 | 0 | 0 | 111.7 | I148 F149 I168 K223 V224 F226 L234 P236 M243 E255 | I148-F257 HydrophobicContact CG2-CB 3.75Å; I148-F257 HydrophobicContact CG2-CD1 3.68Å; I148-F257 HydrophobicContact CG2-CG 3.88Å; F149-F257 CarbonylContact O-C 3.58Å; F149-F257 WeakPolarHBondContact O-CA 3.24Å; I168-F257 HydrophobicContact CD1-CE1 3.9Å; K223-F257 CarbonylContact C-O 3.48Å; K223-F257 VanDerWaalsContact CA-O 3.26Å; K223-F257 WeakPolarHBondContact CA-O 3.45Å; K223-F257 WeakPolarHBondContact CB-O 3.42Å; V224-F257 HydrophobicContact CG1-CB 4.06Å; V224-F257 PolarHBondContact N-O 3.15Å; V224-F257 PolarHBondContact O-N 3.29Å; F226-F257 AromaticContact CD2-CD2 3.69Å; F226-F257 HydrophobicContact CD2-CD2 3.69Å; F226-F257 AromaticContact CD2-CE2 3.99Å; F226-F257 HydrophobicContact CD2-CE2 3.99Å; F226-F257 HydrophobicContact CE2-CB 4.25Å; F226-F257 AromaticContact CE2-CD2 3.71Å; F226-F257 HydrophobicContact CE2-CD2 3.71Å; F226-F257 HydrophobicContact CE2-CE2 4.37Å; F226-F257 HydrophobicContact CE2-CG 4.1Å; L234-F257 HydrophobicContact CB-CE2 4.33Å; L234-F257 WeakPolarHBondContact O-CE2 3.42Å; P236-F257 HydrophobicContact CG-CE1 4.42Å; M243-F257 HydrophobicContact CE-CD1 3.98Å; M243-F257 HydrophobicContact CE-CD2 4.43Å; M243-F257 HydrophobicContact CE-CE1 3.55Å; M243-F257 HydrophobicContact CE-CE2 4.03Å; M243-F257 HydrophobicContact CE-CG 4.41Å; M243-F257 HydrophobicContact CE-CZ 3.57Å; E255-F257 WeakPolarHBondContact O-CD2 3.26Å; E255-F257 WeakPolarHBondContact O-CE2 3.25Å |
| 258 | V | 94.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 40 Ų | 40 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.9 | 165.3 | -175.5 | 0 | 0 | 0 | 0 | 107.7 | F149 V151 K223 E260 | F149-V258 HydrophobicContact CB-CB 4.2Å; F149-V258 HydrophobicContact CD1-CB 4.4Å; F149-V258 HydrophobicContact CD1-CG2 4.11Å; F149-V258 PolarHBondContact N-O 2.89Å; F149-V258 PolarHBondContact O-N 3.25Å; V151-V258 HydrophobicContact CG2-CG2 4.36Å; K223-V258 HydrophobicContact CD-CB 4.41Å; K223-V258 HydrophobicContact CD-CG2 3.37Å; V258-E260 HydrophobicContact CG1-CG 3.94Å |
| 259 | L | 92.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.2 | 167.2 | -58.6 | -178.1 | 0 | 0 | 0 | 108.3 | M142 V146 I148 L182 V224 F226 | M142-L259 HydrophobicContact SD-CD1 4.33Å; V146-L259 HydrophobicContact CG2-CD2 4.21Å; I148-L259 HydrophobicContact CD1-CD2 4.43Å; I148-L259 HydrophobicContact CG1-CD2 3.91Å; L182-L259 HydrophobicContact CD1-CD1 3.93Å; V224-L259 HydrophobicContact CG1-CD1 3.99Å; V224-L259 HydrophobicContact CG1-CD2 3.84Å; V224-L259 HydrophobicContact CG1-CG 3.63Å; F226-L259 HydrophobicContact CZ-CD2 4.18Å |
| 260 | E | 92.2 | Very high | 94.7 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 28% | 0.276 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.6 | 175.4 | -62.9 | -179.9 | 176.5 | 0 | 0 | 108.5 | V146 N147 Y156 V258 S262 | V146-E260 CarbonylContact C-O 3.55Å; V146-E260 WeakPolarHBondContact CA-O 3.36Å; V146-E260 VanDerWaalsContact CB-O 3.26Å; V146-E260 WeakPolarHBondContact CB-O 3.4Å; N147-E260 HydrophobicContact CB-CB 4.48Å; N147-E260 PolarHBondContact N-O 2.76Å; N147-E260 PolarHBondContact O-N 3.48Å; Y156-E260 VanDerWaalsContact CE1-OE2 3.24Å; Y156-E260 WeakPolarHBondContact CE1-OE2 3.31Å; Y156-E260 PolarHBondContact OH-OE1 3.2Å; Y156-E260 PolarHBondContact OH-OE2 3.31Å; V258-E260 HydrophobicContact CG1-CG 3.94Å; E260-S262 PolarHBondContact O-N 2.88Å |
| 261 | Q | 90.3 | Very high | 95 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 132.2 | 175.6 | -175.6 | 165.1 | 14.2 | 0 | 0 | 109.7 | H263 N462 E497 | Q261-H263 PolarHBondContact O-N 2.97Å; Q261-N462 PolarHBondContact NE2-ND2 3.2Å; Q261-N462 PolarHBondContact OE1-ND2 3.44Å; Q261-E497 PolarHBondContact NE2-OE1 3.28Å |
| 262 | S | 94.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | trans | -75.9 | 111.5 | 176 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | Q145 N147 E260 N385 R386 | Q145-S262 PolarHBondContact O-N 2.99Å; N147-S262 WeakPolarHBondContact OD1-CA 3.41Å; E260-S262 PolarHBondContact O-N 2.88Å; S262-N385 PolarHBondContact OG-ND2 2.99Å; S262-R386 PolarHBondContact O-NH2 2.59Å; S262-R386 PolarHBondContact OG-NH1 3.43Å | ||
| 263 | H | 93.9 | Very high | 95.5 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 17% | 0.171 | 19% | 0.192 | C | C | . | . | trans | -72.5 | 156.1 | 174.2 | -71.5 | -67.8 | 0 | 0 | 0 | 111.9 | Q261 Q265 Q298 N385 Y461 N462 | Q261-H263 PolarHBondContact O-N 2.97Å; H263-Q265 PolarHBondContact O-N 3.43Å; H263-Q298 HydrophobicContact CB-CG 3.57Å; H263-N385 PolarHBondContact O-ND2 3.39Å; H263-Y461 AromaticContact CE1-CE2 3.94Å; H263-Y461 AromaticContact CE1-CZ 3.89Å; H263-N462 PolarHBondContact CE1-OD1 2.76Å; H263-N462 PolarHBondContact ND1-OD1 2.74Å | ||
| 264 | P | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -64.1 | 134.2 | 175.6 | 30.8 | -38.1 | 0 | 0 | 0 | 110.4 | Q298 V299 L383 F458 Y498 | P264-Q298 CarbonylContact O-C 3.55Å; P264-Q298 WeakPolarHBondContact O-CA 3.23Å; P264-V299 HydrophobicContact CG-CB 3.87Å; P264-V299 VanDerWaalsContact CG-O 3.29Å; P264-V299 WeakPolarHBondContact CG-O 3.5Å; P264-V299 PolarHBondContact O-N 2.69Å; P264-L383 HydrophobicContact CB-CD1 3.83Å; P264-F458 HydrophobicContact CB-CD1 4.27Å; P264-F458 HydrophobicContact CB-CE1 3.63Å; P264-F458 HydrophobicContact CB-CZ 4.03Å; P264-F458 HydrophobicContact CG-CD1 4.35Å; P264-F458 HydrophobicContact CG-CE1 4.2Å; P264-Y498 HydrophobicContact CB-CE2 3.65Å; P264-Y498 VanDerWaalsContact CD-OH 3.24Å; P264-Y498 WeakPolarHBondContact CD-OH 3.27Å; P264-Y498 HydrophobicContact CG-CE2 3.95Å; P264-Y498 WeakPolarHBondContact CG-OH 3.24Å | ||
| 265 | Q | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.6 | 172.7 | -66.8 | 178.6 | 15.7 | 0 | 0 | 109.5 | P173 H263 V296 F297 Q298 I384 N385 | P173-Q265 PolarHBondContact O-NE2 2.92Å; H263-Q265 PolarHBondContact O-N 3.43Å; Q265-V296 HydrophobicContact CB-CG1 3.71Å; Q265-V296 HydrophobicContact CG-CG1 4.37Å; Q265-F297 CarbonylContact C-O 3.54Å; Q265-F297 WeakPolarHBondContact CA-O 3.44Å; Q265-Q298 HydrophobicContact CG-CB 4.04Å; Q265-Q298 HydrophobicContact CG-CG 4.47Å; Q265-I384 HydrophobicContact CB-CG1 4.32Å; Q265-I384 VanDerWaalsContact O-CG1 3.27Å; Q265-I384 WeakPolarHBondContact O-CG1 3.47Å; Q265-I384 PolarHBondContact O-N 2.88Å; Q265-N385 HydrophobicContact CB-CB 4.14Å; Q265-N385 PolarHBondContact N-OD1 3.2Å |
| 266 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 153.2 | -169.5 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | L268 F297 V299 F310 M381 K382 L383 F458 | V266-L268 HydrophobicContact CG2-CG 4.38Å; V266-F297 PolarHBondContact N-O 3.31Å; V266-F297 PolarHBondContact O-N 2.9Å; V266-V299 HydrophobicContact CB-CG2 4.21Å; V266-V299 HydrophobicContact CG1-CG2 3.7Å; V266-V299 HydrophobicContact CG2-CG2 3.45Å; V266-V299 VanDerWaalsContact CG2-CG2 3.45Å; V266-F310 HydrophobicContact CG2-CE1 4.34Å; V266-M381 HydrophobicContact CB-CG 3.68Å; V266-M381 HydrophobicContact CB-SD 4.17Å; V266-M381 HydrophobicContact CG1-CG 3.77Å; V266-M381 HydrophobicContact CG1-SD 3.98Å; V266-M381 HydrophobicContact CG2-CG 3.89Å; V266-M381 HydrophobicContact CG2-SD 3.88Å; V266-K382 CarbonylContact C-O 3.51Å; V266-K382 WeakPolarHBondContact CA-O 3.47Å; V266-K382 WeakPolarHBondContact CB-O 3.39Å; V266-L383 HydrophobicContact CG1-CD1 4.4Å; V266-F458 HydrophobicContact CG1-CE2 4.25Å; V266-F458 HydrophobicContact CG1-CZ 4.49Å |
| 267 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136 | 160.5 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | N275 E291 V296 K382 I384 | V267-N275 HydrophobicContact CG1-CB 4.02Å; V267-E291 HydrophobicContact CG1-CG 4.39Å; V267-E291 HydrophobicContact CG2-CB 4.15Å; V267-E291 HydrophobicContact CG2-CG 3.98Å; V267-V296 HydrophobicContact CG2-CG2 4.12Å; V267-K382 PolarHBondContact N-O 3.01Å; V267-K382 PolarHBondContact O-N 2.89Å; V267-I384 HydrophobicContact CB-CG2 4.33Å; V267-I384 HydrophobicContact CG2-CG2 3.74Å |
| 268 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.6 | 175.2 | -72.9 | 165.4 | 0 | 0 | 0 | 109 | V266 N275 V276 F310 W318 L350 F379 I380 M381 | V266-L268 HydrophobicContact CG2-CG 4.38Å; L268-N275 WeakPolarHBondContact O-CA 3.24Å; L268-V276 HydrophobicContact CB-CB 4.35Å; L268-V276 HydrophobicContact CB-CG2 4.01Å; L268-V276 WeakPolarHBondContact O-CG2 3.47Å; L268-V276 PolarHBondContact O-N 3.25Å; L268-F310 HydrophobicContact CD1-CD1 4.22Å; L268-F310 HydrophobicContact CD1-CE1 3.79Å; L268-F310 HydrophobicContact CD1-CZ 4Å; L268-W318 HydrophobicContact CD1-CH2 3.48Å; L268-W318 VanDerWaalsContact CD1-CH2 3.48Å; L268-W318 HydrophobicContact CD1-CZ2 4.11Å; L268-W318 HydrophobicContact CD1-CZ3 4.1Å; L268-L350 HydrophobicContact CD1-CD1 4.4Å; L268-F379 HydrophobicContact CB-CD1 4.41Å; L268-F379 HydrophobicContact CD2-CB 4.29Å; L268-I380 WeakPolarHBondContact CA-O 3.08Å; L268-M381 HydrophobicContact CD2-CB 3.75Å; L268-M381 HydrophobicContact CD2-CG 3.78Å; L268-M381 HydrophobicContact CD2-SD 3.99Å |
| 269 | T | 98.6 | Very high | 96.3 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 122.6 | 172.8 | -47.8 | 0 | 0 | 0 | 0 | 108.2 | R274 N275 F379 I380 | T269-R274 WeakPolarHBondContact CA-O 3.27Å; T269-N275 PolarHBondContact OG1-OD1 2.99Å; T269-F379 CarbonylContact O-C 3.47Å; T269-F379 WeakPolarHBondContact O-CA 3.41Å; T269-I380 PolarHBondContact N-O 2.9Å; T269-I380 PolarHBondContact O-N 2.86Å |
| 270 | A | 98.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 172.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N272 E273 R274 A286 A360 F379 | A270-N272 PolarHBondContact O-N 2.8Å; A270-E273 WeakPolarHBondContact O-CA 3.25Å; A270-E273 PolarHBondContact O-N 2.83Å; A270-R274 PolarHBondContact N-O 3.04Å; A270-A286 HydrophobicContact CB-CB 3.61Å; A270-A360 HydrophobicContact CB-CB 3.86Å; A270-F379 HydrophobicContact CB-CD1 3.94Å; A270-F379 HydrophobicContact CB-CE1 3.59Å; A270-F379 HydrophobicContact CB-CZ 4.36Å |
| 271 | G | 94.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 36.8 Ų | 36.8 | 47% | 0.474 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E273 E378 | G271-E273 VanDerWaalsContact C-N 3.3Å; G271-E378 PolarHBondContact N-O 2.84Å; G271-E378 VanDerWaalsContact N-O 3.12Å |
| 272 | N | 96 | Very high | 96.2 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 34% | 0.342 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 10.6 | 169.6 | 72.4 | -11.8 | 0 | 0 | 0 | 113.5 | A270 R274 A286 | A270-N272 PolarHBondContact O-N 2.8Å; N272-R274 PolarHBondContact O-N 2.91Å; N272-R274 PolarHBondContact OD1-N 2.88Å; N272-R274 VanDerWaalsContact OD1-N 3.16Å; N272-A286 PolarHBondContact ND2-O 3.36Å |
| 273 | E | 96.5 | Very high | 96.3 | Very high | 167 Ų | 167 | 43.1 Ų | 43.1 | 78% | 0.78 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 62.5 | 20.8 | 179.7 | -55 | -178.7 | 167.8 | 0 | 0 | 114.6 | A270 G271 | A270-E273 WeakPolarHBondContact O-CA 3.25Å; A270-E273 PolarHBondContact O-N 2.83Å; G271-E273 VanDerWaalsContact C-N 3.3Å |
| 274 | R | 98.1 | Very high | 96.4 | Very high | 103 Ų | 103 | 41.4 Ų | 41.4 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | trans | -112.6 | 147.9 | 176.3 | -59.9 | -62.3 | -177.1 | 152.6 | -6.8 | 111.8 | T269 A270 N272 A286 D289 | T269-R274 WeakPolarHBondContact CA-O 3.27Å; A270-R274 PolarHBondContact N-O 3.04Å; N272-R274 PolarHBondContact O-N 2.91Å; N272-R274 PolarHBondContact OD1-N 2.88Å; N272-R274 VanDerWaalsContact OD1-N 3.16Å; R274-A286 VanDerWaalsContact CB-C 3.46Å; R274-A286 HydrophobicContact CB-CB 4.3Å; R274-A286 WeakPolarHBondContact CB-O 3.21Å; R274-D289 WeakPolarHBondContact CD-OD1 3.5Å; R274-D289 IonicContact CZ-OD1 3.61Å; R274-D289 IonicContact CZ-OD2 3.36Å; R274-D289 IonicContact NE-OD1 3.57Å; R274-D289 IonicContact NH1-OD1 3.38Å; R274-D289 PolarHBondContact NH1-OD1 2.7Å; R274-D289 IonicContact NH1-OD2 2.66Å; R274-D289 PolarHBondContact NH1-OD2 2.6Å | ||
| 275 | N | 98.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 135.3 | 175.6 | -65.6 | -18.3 | 0 | 0 | 0 | 110.7 | V267 L268 T269 A286 N287 Q288 D289 E290 E295 | V267-N275 HydrophobicContact CG1-CB 4.02Å; L268-N275 WeakPolarHBondContact O-CA 3.24Å; T269-N275 PolarHBondContact OG1-OD1 2.99Å; N275-A286 WeakPolarHBondContact O-CA 3.43Å; N275-N287 PolarHBondContact O-N 2.84Å; N275-Q288 WeakPolarHBondContact CB-O 3.21Å; N275-Q288 PolarHBondContact N-O 2.9Å; N275-Q288 PolarHBondContact O-N 3.36Å; N275-D289 PolarHBondContact ND2-O 3.28Å; N275-E290 PolarHBondContact ND2-O 2.93Å; N275-E295 HydrophobicContact CB-CG 4.32Å |
| 276 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 132.4 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | L268 L284 A286 E295 F297 W318 L366 F379 | L268-V276 HydrophobicContact CB-CB 4.35Å; L268-V276 HydrophobicContact CB-CG2 4.01Å; L268-V276 WeakPolarHBondContact O-CG2 3.47Å; L268-V276 PolarHBondContact O-N 3.25Å; V276-L284 HydrophobicContact CG1-CB 4.31Å; V276-L284 HydrophobicContact CG1-CD2 4.17Å; V276-A286 HydrophobicContact CG2-CB 4.2Å; V276-E295 WeakPolarHBondContact O-CA 3.22Å; V276-F297 HydrophobicContact CB-CE2 4.11Å; V276-F297 HydrophobicContact CG1-CE2 4.05Å; V276-F297 HydrophobicContact CG1-CZ 4.11Å; V276-F297 WeakPolarHBondContact O-CE2 3.43Å; V276-W318 HydrophobicContact CB-CH2 4.32Å; V276-W318 HydrophobicContact CB-CZ2 4.39Å; V276-W318 HydrophobicContact CG1-CH2 3.66Å; V276-W318 HydrophobicContact CG1-CZ2 3.56Å; V276-W318 HydrophobicContact CG2-CH2 4.43Å; V276-L366 HydrophobicContact CB-CD1 4.42Å; V276-L366 HydrophobicContact CG1-CD1 3.63Å; V276-L366 HydrophobicContact CG1-CG 4.41Å; V276-L366 HydrophobicContact CG2-CD1 3.83Å; V276-L366 HydrophobicContact CG2-CD2 4.37Å; V276-F379 HydrophobicContact CG2-CE1 4.18Å |
| 277 | S | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154.9 | -173.4 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | R279 S285 Q294 E295 | S277-R279 WeakPolarHBondContact OG-CB 3.3Å; S277-R279 VanDerWaalsContact OG-CG 3.31Å; S277-R279 WeakPolarHBondContact OG-CG 3.39Å; S277-R279 PolarHBondContact OG-N 2.79Å; S277-S285 PolarHBondContact N-O 3.42Å; S277-S285 PolarHBondContact O-N 3.44Å; S277-Q294 WeakPolarHBondContact CA-O 3.34Å; S277-E295 VanDerWaalsContact CB-OE1 3.25Å; S277-E295 WeakPolarHBondContact CB-OE1 3.25Å; S277-E295 PolarHBondContact OG-OE1 2.7Å |
| 278 | T | 97.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -98.2 | 3.3 | 170.3 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | Q280 G281 L284 Q294 F297 T312 C328 | T278-Q280 VanDerWaalsContact C-N 3.28Å; T278-Q280 PolarHBondContact O-N 2.89Å; T278-G281 PolarHBondContact O-N 3.39Å; T278-L284 HydrophobicContact CG2-CD2 3.74Å; T278-Q294 PolarHBondContact N-O 3.38Å; T278-Q294 WeakPolarHBondContact OG1-CA 3.31Å; T278-Q294 WeakPolarHBondContact OG1-CB 3.37Å; T278-Q294 PolarHBondContact OG1-O 3.36Å; T278-F297 HydrophobicContact CG2-CE1 3.77Å; T278-F297 HydrophobicContact CG2-CZ 4.18Å; T278-T312 HydrophobicContact CG2-CG2 4.01Å; T278-C328 HydrophobicContact CG2-CB 4.14Å |
| 279 | R | 94.9 | Very high | 96.2 | Very high | 81 Ų | 81 | 50 Ų | 50 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -33.7 | -176.7 | -81.7 | 172.3 | -164.3 | -149.6 | -9.6 | 114.5 | S277 G281 Q288 E290 S292 Q294 E295 | S277-R279 WeakPolarHBondContact OG-CB 3.3Å; S277-R279 VanDerWaalsContact OG-CG 3.31Å; S277-R279 WeakPolarHBondContact OG-CG 3.39Å; S277-R279 PolarHBondContact OG-N 2.79Å; R279-G281 PolarHBondContact O-N 2.71Å; R279-Q288 VanDerWaalsContact CD-CD 3.45Å; R279-E290 IonicContact CZ-OE2 3.18Å; R279-E290 IonicContact NH1-OE1 3.95Å; R279-E290 IonicContact NH1-OE2 2.79Å; R279-E290 PolarHBondContact NH1-OE2 3.47Å; R279-E290 IonicContact NH2-OE2 2.68Å; R279-E290 PolarHBondContact NH2-OE2 3.07Å; R279-S292 PolarHBondContact NH2-OG 3.02Å; R279-Q294 HydrophobicContact CG-CB 4.18Å; R279-E295 WeakPolarHBondContact CD-OE1 3.46Å; R279-E295 IonicContact CZ-OE1 3.73Å; R279-E295 IonicContact CZ-OE2 3.21Å; R279-E295 IonicContact NE-OE1 2.91Å; R279-E295 PolarHBondContact NE-OE1 2.94Å; R279-E295 IonicContact NE-OE2 3.68Å; R279-E295 IonicContact NH2-OE1 3.97Å; R279-E295 IonicContact NH2-OE2 2.76Å; R279-E295 PolarHBondContact NH2-OE2 2.74Å |
| 280 | Q | 90.2 | Very high | 96 | Very high | 123 Ų | 123 | 54 Ų | 54 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 12.8 | -175.2 | -64.7 | -156.2 | -14 | 0 | 0 | 114 | T278 N287 | T278-Q280 VanDerWaalsContact C-N 3.28Å; T278-Q280 PolarHBondContact O-N 2.89Å; Q280-N287 PolarHBondContact NE2-ND2 3.18Å |
| 281 | G | 90.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 100.5 | -125.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T278 R279 | T278-G281 PolarHBondContact O-N 3.39Å; R279-G281 PolarHBondContact O-N 2.71Å |
| 282 | M | 92.6 | Very high | 95.9 | Very high | 121 Ų | 121 | 57.5 Ų | 57.5 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -76.1 | -37.1 | -172.3 | -65.6 | -172.9 | -65.4 | 0 | 0 | 113.3 | Q327 C328 T329 | M282-Q327 CarbonylContact O-C 3.5Å; M282-Q327 WeakPolarHBondContact O-CA 3.35Å; M282-Q327 VanDerWaalsContact O-CB 3.27Å; M282-Q327 WeakPolarHBondContact O-CB 3.41Å; M282-C328 PolarHBondContact O-N 3.26Å; M282-T329 HydrophobicContact CB-CG2 3.98Å; M282-T329 HydrophobicContact CG-CG2 3.91Å; M282-T329 HydrophobicContact SD-CG2 4.09Å |
| 283 | D | 96.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -81.6 | 133.7 | -177.4 | -62.4 | -38.1 | 0 | 0 | 0 | 110.5 | Q327 Q365 | D283-Q327 VanDerWaalsContact OD1-CG 3.24Å; D283-Q327 WeakPolarHBondContact OD1-CG 3.27Å; D283-Q327 PolarHBondContact OD1-NE2 2.67Å; D283-Q365 PolarHBondContact OD2-NE2 2.93Å; D283-Q365 VanDerWaalsContact OD2-NE2 3.16Å |
| 284 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -75.1 | 135.1 | 173.1 | -71.9 | 159 | 0 | 0 | 0 | 109.7 | V276 T278 F297 W318 L326 C328 Q365 L366 | V276-L284 HydrophobicContact CG1-CB 4.31Å; V276-L284 HydrophobicContact CG1-CD2 4.17Å; T278-L284 HydrophobicContact CG2-CD2 3.74Å; L284-F297 HydrophobicContact CD2-CE1 4.14Å; L284-F297 HydrophobicContact CD2-CZ 4.13Å; L284-W318 HydrophobicContact CD1-CB 4.15Å; L284-W318 HydrophobicContact CD1-CD2 3.31Å; L284-W318 VanDerWaalsContact CD1-CE2 3.48Å; L284-W318 HydrophobicContact CD1-CE3 3.84Å; L284-W318 HydrophobicContact CD1-CG 3.45Å; L284-W318 VanDerWaalsContact CD1-CG 3.45Å; L284-W318 HydrophobicContact CD1-CZ2 4.13Å; L284-W318 HydrophobicContact CD1-CZ3 4.43Å; L284-W318 HydrophobicContact CD2-CD2 4.48Å; L284-W318 HydrophobicContact CD2-CZ2 4.07Å; L284-L326 HydrophobicContact CD1-CB 4.03Å; L284-L326 PolarHBondContact N-O 2.85Å; L284-C328 HydrophobicContact CD2-CB 4.24Å; L284-C328 HydrophobicContact CG-CB 4.37Å; L284-Q365 WeakPolarHBondContact O-CA 3.48Å; L284-L366 HydrophobicContact CB-CB 4.37Å; L284-L366 HydrophobicContact CB-CD1 4.13Å; L284-L366 HydrophobicContact CB-CG 4.26Å; L284-L366 PolarHBondContact O-N 2.8Å | ||
| 285 | S | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 133 | -176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | S277 N287 G364 Q365 | S277-S285 PolarHBondContact N-O 3.42Å; S277-S285 PolarHBondContact O-N 3.44Å; S285-N287 WeakPolarHBondContact CB-ND2 3.49Å; S285-N287 PolarHBondContact O-N 3.12Å; S285-N287 PolarHBondContact OG-ND2 2.95Å; S285-G364 CarbonylContact C-O 3.5Å; S285-G364 WeakPolarHBondContact CA-O 3.11Å; S285-G364 PolarHBondContact OG-O 3.43Å; S285-Q365 PolarHBondContact OG-N 3.09Å |
| 286 | A | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 92.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | A270 N272 R274 N275 V276 A360 G364 L366 | A270-A286 HydrophobicContact CB-CB 3.61Å; N272-A286 PolarHBondContact ND2-O 3.36Å; R274-A286 VanDerWaalsContact CB-C 3.46Å; R274-A286 HydrophobicContact CB-CB 4.3Å; R274-A286 WeakPolarHBondContact CB-O 3.21Å; N275-A286 WeakPolarHBondContact O-CA 3.43Å; V276-A286 HydrophobicContact CG2-CB 4.2Å; A286-A360 HydrophobicContact CB-CB 4.06Å; A286-G364 PolarHBondContact N-O 2.91Å; A286-G364 WeakPolarHBondContact O-CA 3.42Å; A286-L366 HydrophobicContact CB-CD2 4.33Å |
| 287 | N | 96.7 | Very high | 95.8 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 7.5 | -173.6 | 62.5 | 22.6 | 0 | 0 | 0 | 115 | N275 Q280 S285 | N275-N287 PolarHBondContact O-N 2.84Å; Q280-N287 PolarHBondContact NE2-ND2 3.18Å; S285-N287 WeakPolarHBondContact CB-ND2 3.49Å; S285-N287 PolarHBondContact O-N 3.12Å; S285-N287 PolarHBondContact OG-ND2 2.95Å |
| 288 | Q | 96.3 | Very high | 95.8 | Very high | 39 Ų | 39 | 48.7 Ų | 48.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 159.5 | 178 | -57.8 | -56.7 | -60.1 | 0 | 0 | 110.8 | N275 R279 E295 | N275-Q288 WeakPolarHBondContact CB-O 3.21Å; N275-Q288 PolarHBondContact N-O 2.9Å; N275-Q288 PolarHBondContact O-N 3.36Å; R279-Q288 VanDerWaalsContact CD-CD 3.45Å; Q288-E295 HydrophobicContact CB-CG 4.08Å; Q288-E295 HydrophobicContact CG-CG 4.32Å |
| 289 | D | 95.1 | Very high | 95.8 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | trans | -109.4 | -12.5 | 167.3 | -58.5 | -29.7 | 0 | 0 | 0 | 111.9 | R274 N275 | R274-D289 WeakPolarHBondContact CD-OD1 3.5Å; R274-D289 IonicContact CZ-OD1 3.61Å; R274-D289 IonicContact CZ-OD2 3.36Å; R274-D289 IonicContact NE-OD1 3.57Å; R274-D289 IonicContact NH1-OD1 3.38Å; R274-D289 PolarHBondContact NH1-OD1 2.7Å; R274-D289 IonicContact NH1-OD2 2.66Å; R274-D289 PolarHBondContact NH1-OD2 2.6Å; N275-D289 PolarHBondContact ND2-O 3.28Å | ||
| 290 | E | 94.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 51% | 0.514 | 24% | 0.235 | S | C | . | . | trans | -79.4 | 161.2 | -177.6 | -65.1 | 171.2 | -164.6 | 0 | 0 | 111.3 | N275 R279 E295 | N275-E290 PolarHBondContact ND2-O 2.93Å; R279-E290 IonicContact CZ-OE2 3.18Å; R279-E290 IonicContact NH1-OE1 3.95Å; R279-E290 IonicContact NH1-OE2 2.79Å; R279-E290 PolarHBondContact NH1-OE2 3.47Å; R279-E290 IonicContact NH2-OE2 2.68Å; R279-E290 PolarHBondContact NH2-OE2 3.07Å; E290-E295 WeakPolarHBondContact O-CG 3.3Å | ||
| 291 | E | 95.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | trans | -122.7 | 55.5 | 177 | -61 | -175.5 | -175.1 | 0 | 0 | 109.7 | V267 K382 | V267-E291 HydrophobicContact CG1-CG 4.39Å; V267-E291 HydrophobicContact CG2-CB 4.15Å; V267-E291 HydrophobicContact CG2-CG 3.98Å; E291-K382 IonicContact OE1-NZ 3Å; E291-K382 PolarHBondContact OE1-NZ 3.05Å; E291-K382 IonicContact OE2-NZ 3.04Å; E291-K382 PolarHBondContact OE2-NZ 2.88Å | ||
| 292 | S | 94.7 | Very high | 96.1 | Very high | 38 Ų | 38 | 38.2 Ų | 38.2 | 27% | 0.266 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -82.6 | 176.9 | 175.3 | 79.5 | 0 | 0 | 0 | 0 | 111.3 | R279 Q294 E295 V296 | R279-S292 PolarHBondContact NH2-OG 3.02Å; S292-Q294 PolarHBondContact O-N 2.94Å; S292-Q294 PolarHBondContact OG-N 3.38Å; S292-E295 WeakPolarHBondContact CB-OE2 3.42Å; S292-E295 PolarHBondContact N-OE2 2.69Å; S292-E295 VanDerWaalsContact N-OE2 3.09Å; S292-E295 PolarHBondContact O-N 2.72Å; S292-E295 PolarHBondContact OG-OE2 2.84Å; S292-V296 WeakPolarHBondContact O-CG2 3.42Å; S292-V296 PolarHBondContact O-N 2.99Å |
| 293 | D | 95.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -20.8 | 175.6 | -76.5 | -1.2 | 0 | 0 | 0 | 113.9 | R170 W174 A313 | R170-D293 IonicContact CZ-OD2 3.92Å; R170-D293 VanDerWaalsContact NH2-CG 3.3Å; R170-D293 IonicContact NH2-OD1 3.5Å; R170-D293 PolarHBondContact NH2-OD1 3.18Å; R170-D293 IonicContact NH2-OD2 2.71Å; R170-D293 PolarHBondContact NH2-OD2 2.75Å; W174-D293 PolarHBondContact NE1-O 2.98Å; D293-A313 HydrophobicContact CB-CB 4.17Å |
| 294 | Q | 96.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 41% | 0.411 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -14.2 | 178.4 | -69.3 | -179.6 | -35.8 | 0 | 0 | 114.7 | S277 T278 R279 S292 | S277-Q294 WeakPolarHBondContact CA-O 3.34Å; T278-Q294 PolarHBondContact N-O 3.38Å; T278-Q294 WeakPolarHBondContact OG1-CA 3.31Å; T278-Q294 WeakPolarHBondContact OG1-CB 3.37Å; T278-Q294 PolarHBondContact OG1-O 3.36Å; R279-Q294 HydrophobicContact CG-CB 4.18Å; S292-Q294 PolarHBondContact O-N 2.94Å; S292-Q294 PolarHBondContact OG-N 3.38Å |
| 295 | E | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -7.2 | 176 | -68.4 | 73.2 | -124.1 | 0 | 0 | 112.2 | N275 V276 S277 R279 Q288 E290 S292 F297 | N275-E295 HydrophobicContact CB-CG 4.32Å; V276-E295 WeakPolarHBondContact O-CA 3.22Å; S277-E295 VanDerWaalsContact CB-OE1 3.25Å; S277-E295 WeakPolarHBondContact CB-OE1 3.25Å; S277-E295 PolarHBondContact OG-OE1 2.7Å; R279-E295 WeakPolarHBondContact CD-OE1 3.46Å; R279-E295 IonicContact CZ-OE1 3.73Å; R279-E295 IonicContact CZ-OE2 3.21Å; R279-E295 IonicContact NE-OE1 2.91Å; R279-E295 PolarHBondContact NE-OE1 2.94Å; R279-E295 IonicContact NE-OE2 3.68Å; R279-E295 IonicContact NH2-OE1 3.97Å; R279-E295 IonicContact NH2-OE2 2.76Å; R279-E295 PolarHBondContact NH2-OE2 2.74Å; Q288-E295 HydrophobicContact CB-CG 4.08Å; Q288-E295 HydrophobicContact CG-CG 4.32Å; E290-E295 WeakPolarHBondContact O-CG 3.3Å; S292-E295 WeakPolarHBondContact CB-OE2 3.42Å; S292-E295 PolarHBondContact N-OE2 2.69Å; S292-E295 VanDerWaalsContact N-OE2 3.09Å; S292-E295 PolarHBondContact O-N 2.72Å; S292-E295 PolarHBondContact OG-OE2 2.84Å; E295-F297 WeakPolarHBondContact O-CD2 3.22Å; E295-F297 VanDerWaalsContact O-CE2 3.24Å; E295-F297 WeakPolarHBondContact O-CE2 3.48Å |
| 296 | V | 98 | Very high | 94.6 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | trans | -94.4 | 129.7 | 178.7 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | W174 Q265 V267 S292 I384 | W174-V296 WeakPolarHBondContact CZ2-O 3.38Å; W174-V296 PolarHBondContact NE1-O 2.84Å; Q265-V296 HydrophobicContact CB-CG1 3.71Å; Q265-V296 HydrophobicContact CG-CG1 4.37Å; V267-V296 HydrophobicContact CG2-CG2 4.12Å; S292-V296 WeakPolarHBondContact O-CG2 3.42Å; S292-V296 PolarHBondContact O-N 2.99Å; V296-I384 HydrophobicContact CB-CD1 4.27Å; V296-I384 HydrophobicContact CG1-CD1 3.69Å; V296-I384 HydrophobicContact CG1-CG1 4.17Å; V296-I384 HydrophobicContact CG2-CD1 3.47Å; V296-I384 VanDerWaalsContact CG2-CD1 3.47Å; V296-I384 HydrophobicContact CG2-CG1 4.18Å | ||
| 297 | F | 98.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131.2 | 179.1 | -54.2 | -73 | 0 | 0 | 0 | 111.2 | Q265 V266 V276 T278 L284 E295 F310 R311 T312 W318 | Q265-F297 CarbonylContact C-O 3.54Å; Q265-F297 WeakPolarHBondContact CA-O 3.44Å; V266-F297 PolarHBondContact N-O 3.31Å; V266-F297 PolarHBondContact O-N 2.9Å; V276-F297 HydrophobicContact CB-CE2 4.11Å; V276-F297 HydrophobicContact CG1-CE2 4.05Å; V276-F297 HydrophobicContact CG1-CZ 4.11Å; V276-F297 WeakPolarHBondContact O-CE2 3.43Å; T278-F297 HydrophobicContact CG2-CE1 3.77Å; T278-F297 HydrophobicContact CG2-CZ 4.18Å; L284-F297 HydrophobicContact CD2-CE1 4.14Å; L284-F297 HydrophobicContact CD2-CZ 4.13Å; E295-F297 WeakPolarHBondContact O-CD2 3.22Å; E295-F297 VanDerWaalsContact O-CE2 3.24Å; E295-F297 WeakPolarHBondContact O-CE2 3.48Å; F297-F310 HydrophobicContact CB-CB 4.24Å; F297-F310 HydrophobicContact CB-CD1 4.16Å; F297-R311 CarbonylContact C-O 3.55Å; F297-R311 VanDerWaalsContact CA-O 3.31Å; F297-R311 WeakPolarHBondContact CA-O 3.5Å; F297-T312 HydrophobicContact CD1-CG2 4.06Å; F297-T312 HydrophobicContact CE1-CG2 4.04Å; F297-W318 AromaticContact CD1-CE2 3.89Å; F297-W318 HydrophobicContact CD1-CZ2 4.1Å; F297-W318 AromaticContact CD1-NE1 3.14Å; F297-W318 AromaticContact CD2-CZ2 3.79Å; F297-W318 HydrophobicContact CD2-CZ2 3.79Å; F297-W318 AromaticContact CE1-CE2 3.9Å; F297-W318 AromaticContact CE1-CZ2 3.99Å; F297-W318 HydrophobicContact CE1-CZ2 3.99Å; F297-W318 AromaticContact CE1-NE1 3.18Å; F297-W318 AromaticContact CE2-CZ2 3.68Å; F297-W318 HydrophobicContact CE2-CZ2 3.68Å; F297-W318 AromaticContact CG-CZ2 3.99Å; F297-W318 HydrophobicContact CG-CZ2 3.99Å; F297-W318 AromaticContact CG-NE1 3.79Å; F297-W318 AromaticContact CZ-CZ2 3.78Å; F297-W318 HydrophobicContact CZ-CZ2 3.78Å; F297-W318 AromaticContact CZ-NE1 3.87Å |
| 298 | Q | 98.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 127.9 | 172 | 177.4 | 173.5 | -70.3 | 0 | 0 | 110 | W174 H263 P264 Q265 E300 F310 R311 | W174-Q298 HydrophobicContact CH2-CB 3.31Å; W174-Q298 HydrophobicContact CZ2-CB 4.04Å; W174-Q298 HydrophobicContact CZ3-CB 3.77Å; H263-Q298 HydrophobicContact CB-CG 3.57Å; P264-Q298 CarbonylContact O-C 3.55Å; P264-Q298 WeakPolarHBondContact O-CA 3.23Å; Q265-Q298 HydrophobicContact CG-CB 4.04Å; Q265-Q298 HydrophobicContact CG-CG 4.47Å; Q298-E300 HydrophobicContact CG-CG 4.25Å; Q298-E300 PolarHBondContact NE2-OE1 3.14Å; Q298-F310 WeakPolarHBondContact O-CA 3.41Å; Q298-R311 HydrophobicContact CB-CB 4.21Å; Q298-R311 PolarHBondContact N-O 2.9Å; Q298-R311 PolarHBondContact O-N 2.86Å |
| 299 | V | 97 | Very high | 94.6 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.7 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | P264 V266 I301 C308 F310 M381 | P264-V299 HydrophobicContact CG-CB 3.87Å; P264-V299 VanDerWaalsContact CG-O 3.29Å; P264-V299 WeakPolarHBondContact CG-O 3.5Å; P264-V299 PolarHBondContact O-N 2.69Å; V266-V299 HydrophobicContact CB-CG2 4.21Å; V266-V299 HydrophobicContact CG1-CG2 3.7Å; V266-V299 HydrophobicContact CG2-CG2 3.45Å; V266-V299 VanDerWaalsContact CG2-CG2 3.45Å; V299-I301 HydrophobicContact CG1-CD1 3.92Å; V299-C308 HydrophobicContact CG1-CB 4.15Å; V299-F310 HydrophobicContact CG2-CD1 4.08Å; V299-F310 HydrophobicContact CG2-CE1 3.84Å; V299-M381 HydrophobicContact CG2-SD 4.42Å |
| 300 | E | 95.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 105.1 | 177.4 | -65.3 | -176.9 | -167.2 | 0 | 0 | 110 | Q298 A309 R311 Y317 K333 | Q298-E300 HydrophobicContact CG-CG 4.25Å; Q298-E300 PolarHBondContact NE2-OE1 3.14Å; E300-A309 PolarHBondContact N-O 3.05Å; E300-A309 PolarHBondContact O-N 3.14Å; E300-R311 WeakPolarHBondContact OE1-CD 3.34Å; E300-R311 IonicContact OE1-NH1 2.95Å; E300-Y317 PolarHBondContact OE2-OH 2.57Å; E300-K333 IonicContact OE2-NZ 3.54Å; E300-K333 PolarHBondContact OE2-NZ 2.95Å |
| 301 | I | 94.7 | Very high | 94.9 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.051 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.2 | 175.3 | -53.6 | -56.5 | 0 | 0 | 0 | 109.7 | V299 C308 F458 | V299-I301 HydrophobicContact CG1-CD1 3.92Å; I301-C308 HydrophobicContact CD1-CB 3.55Å; I301-F458 HydrophobicContact CD1-CB 4.23Å; I301-F458 HydrophobicContact CG1-CB 4.28Å |
| 302 | C | 91.7 | Very high | 95 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 12% | 0.115 | 20% | 0.203 | C | C | . | . | trans | -70.3 | 132 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | E304 N305 R306 K307 Y338 | C302-E304 VanDerWaalsContact C-N 3.29Å; C302-E304 PolarHBondContact O-N 2.89Å; C302-N305 WeakPolarHBondContact CB-OD1 3.41Å; C302-N305 PolarHBondContact SG-OD1 3.04Å; C302-N305 VanDerWaalsContact SG-OD1 3.39Å; C302-R306 VanDerWaalsContact O-CA 3.26Å; C302-R306 WeakPolarHBondContact O-CA 3.42Å; C302-R306 PolarHBondContact O-N 2.82Å; C302-K307 PolarHBondContact N-O 3.15Å; C302-Y338 HydrophobicContact CB-CD1 4.42Å; C302-Y338 HydrophobicContact CB-CE1 3.76Å | ||
| 303 | R | 87.8 | Confident | 95 | Very high | 158 Ų | 158 | 44 Ų | 44 | 60% | 0.596 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.9 | 179 | -67.8 | -176.6 | -179.3 | -155.7 | 5.2 | 113 | R306 Y461 | R303-R306 PolarHBondContact O-NH1 3.5Å; R303-Y461 HydrophobicContact CG-CD2 4.48Å; R303-Y461 HydrophobicContact CG-CG 4.11Å |
| 304 | E | 87.9 | Confident | 95 | Very high | 186 Ų | 186 | 44.9 Ų | 44.9 | 87% | 0.869 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -44 | -172.5 | -62.5 | 177.4 | 179.2 | 0 | 0 | 113 | C302 | C302-E304 VanDerWaalsContact C-N 3.29Å; C302-E304 PolarHBondContact O-N 2.89Å |
| 305 | N | 86.9 | Confident | 95 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 3 | -171 | 67.3 | 17.4 | 0 | 0 | 0 | 114.2 | C302 K307 | C302-N305 WeakPolarHBondContact CB-OD1 3.41Å; C302-N305 PolarHBondContact SG-OD1 3.04Å; C302-N305 VanDerWaalsContact SG-OD1 3.39Å; N305-K307 HydrophobicContact CB-CG 4.38Å; N305-K307 PolarHBondContact O-N 3.37Å; N305-K307 WeakPolarHBondContact OD1-CB 3.47Å; N305-K307 WeakPolarHBondContact OD1-CG 3.27Å; N305-K307 PolarHBondContact OD1-N 2.96Å |
| 306 | R | 91.1 | Very high | 94.9 | Very high | 118 Ų | 118 | 45.4 Ų | 45.4 | 45% | 0.445 | 22% | 0.224 | S | C | . | . | trans | 58.8 | 10.8 | 179.8 | -51.1 | -53.2 | -166.5 | -177.7 | 15.2 | 115.8 | C302 R303 D460 | C302-R306 VanDerWaalsContact O-CA 3.26Å; C302-R306 WeakPolarHBondContact O-CA 3.42Å; C302-R306 PolarHBondContact O-N 2.82Å; R303-R306 PolarHBondContact O-NH1 3.5Å; R306-D460 IonicContact CZ-OD1 2.99Å; R306-D460 IonicContact CZ-OD2 2.73Å; R306-D460 VanDerWaalsContact CZ-OD2 3.29Å; R306-D460 IonicContact NH1-OD1 3.83Å; R306-D460 PolarHBondContact NH1-OD1 2.93Å; R306-D460 IonicContact NH1-OD2 2.87Å; R306-D460 PolarHBondContact NH1-OD2 2.81Å; R306-D460 VanDerWaalsContact NH2-CG 3.27Å; R306-D460 IonicContact NH2-OD1 3.79Å; R306-D460 IonicContact NH2-OD2 2.69Å; R306-D460 PolarHBondContact NH2-OD2 3.4Å | ||
| 307 | K | 94.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 46.4 Ų | 46.4 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -77.1 | 149.8 | 175.6 | -57.6 | -166.8 | -178.8 | -132.4 | 0 | 111.1 | C302 N305 Y338 D340 | C302-K307 PolarHBondContact N-O 3.15Å; N305-K307 HydrophobicContact CB-CG 4.38Å; N305-K307 PolarHBondContact O-N 3.37Å; N305-K307 WeakPolarHBondContact OD1-CB 3.47Å; N305-K307 WeakPolarHBondContact OD1-CG 3.27Å; N305-K307 PolarHBondContact OD1-N 2.96Å; K307-Y338 HydrophobicContact CB-CD1 3.92Å; K307-Y338 HydrophobicContact CB-CG 4.15Å; K307-D340 WeakPolarHBondContact CD-OD1 3.18Å; K307-D340 WeakPolarHBondContact CE-OD1 3.34Å; K307-D340 WeakPolarHBondContact CG-OD1 3.26Å; K307-D340 VanDerWaalsContact NZ-CG 3.27Å; K307-D340 IonicContact NZ-OD1 2.76Å; K307-D340 PolarHBondContact NZ-OD1 2.81Å; K307-D340 IonicContact NZ-OD2 2.66Å; K307-D340 PolarHBondContact NZ-OD2 2.84Å | ||
| 308 | C | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.1 | 179 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | V299 I301 F310 Y338 F339 I341 | V299-C308 HydrophobicContact CG1-CB 4.15Å; I301-C308 HydrophobicContact CD1-CB 3.55Å; C308-F310 WeakPolarHBondContact SG-CE2 3.4Å; C308-Y338 WeakPolarHBondContact O-CA 3.24Å; C308-F339 PolarHBondContact N-O 3.39Å; C308-F339 PolarHBondContact O-N 3.09Å; C308-F339 PolarHBondContact SG-O 3.21Å; C308-F339 VanDerWaalsContact SG-O 3.37Å; C308-I341 HydrophobicContact CB-CD1 3.71Å; C308-I341 HydrophobicContact CB-CG1 4.04Å; C308-I341 VanDerWaalsContact SG-CD1 3.59Å; C308-I341 WeakPolarHBondContact SG-CG1 3.26Å |
| 309 | A | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E300 Y317 K333 C337 Y338 | E300-A309 PolarHBondContact N-O 3.05Å; E300-A309 PolarHBondContact O-N 3.14Å; A309-Y317 HydrophobicContact CB-CD1 4.13Å; A309-Y317 HydrophobicContact CB-CE1 4.49Å; A309-K333 HydrophobicContact CB-CD 3.79Å; A309-K333 HydrophobicContact CB-CG 4.32Å; A309-C337 WeakPolarHBondContact CA-O 3.23Å; A309-Y338 HydrophobicContact CB-CD1 4.21Å; A309-Y338 HydrophobicContact CB-CE1 4.12Å |
| 310 | F | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 117.2 | 176.1 | -62.7 | -81.1 | 0 | 0 | 0 | 109.2 | V266 L268 F297 Q298 V299 C308 Y317 W318 F339 L350 | V266-F310 HydrophobicContact CG2-CE1 4.34Å; L268-F310 HydrophobicContact CD1-CD1 4.22Å; L268-F310 HydrophobicContact CD1-CE1 3.79Å; L268-F310 HydrophobicContact CD1-CZ 4Å; F297-F310 HydrophobicContact CB-CB 4.24Å; F297-F310 HydrophobicContact CB-CD1 4.16Å; Q298-F310 WeakPolarHBondContact O-CA 3.41Å; V299-F310 HydrophobicContact CG2-CD1 4.08Å; V299-F310 HydrophobicContact CG2-CE1 3.84Å; C308-F310 WeakPolarHBondContact SG-CE2 3.4Å; F310-Y317 VanDerWaalsContact O-CA 3.3Å; F310-Y317 WeakPolarHBondContact O-CA 3.44Å; F310-W318 HydrophobicContact CB-CB 4.11Å; F310-W318 HydrophobicContact CB-CD2 3.69Å; F310-W318 HydrophobicContact CB-CE3 4.33Å; F310-W318 HydrophobicContact CB-CG 3.57Å; F310-W318 AromaticContact CD2-CD2 3.99Å; F310-W318 HydrophobicContact CD2-CD2 3.99Å; F310-W318 AromaticContact CD2-CE3 3.74Å; F310-W318 HydrophobicContact CD2-CE3 3.74Å; F310-W318 HydrophobicContact CD2-CG 4.41Å; F310-W318 HydrophobicContact CD2-CZ3 4.2Å; F310-W318 HydrophobicContact CE2-CE3 4.39Å; F310-W318 HydrophobicContact CE2-CZ3 4.49Å; F310-W318 HydrophobicContact CG-CD2 4.06Å; F310-W318 HydrophobicContact CG-CE3 4.22Å; F310-W318 HydrophobicContact CG-CG 4.38Å; F310-W318 PolarHBondContact O-N 3.01Å; F310-F339 HydrophobicContact CD2-CD2 4.05Å; F310-F339 HydrophobicContact CD2-CE2 4.34Å; F310-F339 HydrophobicContact CE2-CD2 4.18Å; F310-L350 HydrophobicContact CE2-CD1 4.02Å; F310-L350 HydrophobicContact CE2-CD2 4.12Å; F310-L350 HydrophobicContact CZ-CD1 4.2Å; F310-L350 HydrophobicContact CZ-CD2 4.05Å |
| 311 | R | 98.1 | Very high | 95.1 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 147.2 | 176 | -174.1 | 179.7 | 178.4 | 175 | -3.1 | 109.8 | W174 F297 Q298 E300 K316 Y317 | W174-R311 HydrophobicContact CH2-CB 4.21Å; W174-R311 HydrophobicContact CH2-CG 4.18Å; W174-R311 WeakPolarHBondContact CH2-O 3.41Å; W174-R311 WeakPolarHBondContact CZ2-O 3.2Å; F297-R311 CarbonylContact C-O 3.55Å; F297-R311 VanDerWaalsContact CA-O 3.31Å; F297-R311 WeakPolarHBondContact CA-O 3.5Å; Q298-R311 HydrophobicContact CB-CB 4.21Å; Q298-R311 PolarHBondContact N-O 2.9Å; Q298-R311 PolarHBondContact O-N 2.86Å; E300-R311 WeakPolarHBondContact OE1-CD 3.34Å; E300-R311 IonicContact OE1-NH1 2.95Å; R311-K316 CarbonylContact C-O 3.54Å; R311-K316 WeakPolarHBondContact CA-O 3.49Å; R311-Y317 HydrophobicContact CB-CD1 3.89Å; R311-Y317 HydrophobicContact CB-CE1 3.62Å; R311-Y317 HydrophobicContact CG-CD1 4.38Å; R311-Y317 HydrophobicContact CG-CE1 3.97Å; R311-Y317 HydrophobicContact CG-CE2 4.47Å |
| 312 | T | 97.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | trans | -102.3 | 163.8 | 176.4 | 72.1 | 0 | 0 | 0 | 0 | 111.5 | W174 T278 F297 A314 G315 K316 C328 | W174-T312 WeakPolarHBondContact CH2-O 3.22Å; T278-T312 HydrophobicContact CG2-CG2 4.01Å; F297-T312 HydrophobicContact CD1-CG2 4.06Å; F297-T312 HydrophobicContact CE1-CG2 4.04Å; T312-A314 PolarHBondContact O-N 3.11Å; T312-A314 VanDerWaalsContact O-N 3.16Å; T312-A314 PolarHBondContact OG1-N 3.25Å; T312-G315 WeakPolarHBondContact O-CA 3.39Å; T312-G315 PolarHBondContact O-N 3.25Å; T312-K316 PolarHBondContact N-O 2.88Å; T312-K316 PolarHBondContact OG1-N 3.36Å; T312-K316 PolarHBondContact OG1-O 2.96Å; T312-C328 HydrophobicContact CG2-CB 3.97Å | ||
| 313 | A | 95.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 20% | 0.198 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W174 D293 G315 | W174-A313 HydrophobicContact CB-CB 4.41Å; W174-A313 HydrophobicContact CD2-CB 3.9Å; W174-A313 HydrophobicContact CG-CB 3.75Å; W174-A313 VanDerWaalsContact CZ2-N 3.29Å; D293-A313 HydrophobicContact CB-CB 4.17Å; A313-G315 PolarHBondContact O-N 2.86Å |
| 314 | A | 95.1 | Very high | 95.8 | Very high | 81 Ų | 81 | 51 Ų | 51 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 4.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T312 K316 | T312-A314 PolarHBondContact O-N 3.11Å; T312-A314 VanDerWaalsContact O-N 3.16Å; T312-A314 PolarHBondContact OG1-N 3.25Å; A314-K316 VanDerWaalsContact C-N 3.28Å; A314-K316 PolarHBondContact O-N 3.4Å |
| 315 | G | 95.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 25% | 0.247 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 72.2 | 18.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T312 A313 | T312-G315 WeakPolarHBondContact O-CA 3.39Å; T312-G315 PolarHBondContact O-N 3.25Å; A313-G315 PolarHBondContact O-N 2.86Å |
| 316 | K | 97.4 | Very high | 96.8 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 33% | 0.326 | 23% | 0.228 | S | C | . | . | trans | -98.1 | 159.8 | 175 | -55.7 | -60.4 | 178.3 | 177 | 0 | 110.6 | R311 T312 A314 C328 A330 S331 | R311-K316 CarbonylContact C-O 3.54Å; R311-K316 WeakPolarHBondContact CA-O 3.49Å; T312-K316 PolarHBondContact N-O 2.88Å; T312-K316 PolarHBondContact OG1-N 3.36Å; T312-K316 PolarHBondContact OG1-O 2.96Å; A314-K316 VanDerWaalsContact C-N 3.28Å; A314-K316 PolarHBondContact O-N 3.4Å; K316-C328 WeakPolarHBondContact CB-O 3.38Å; K316-A330 CarbonylContact C-O 3.48Å; K316-A330 VanDerWaalsContact CA-O 3.24Å; K316-A330 WeakPolarHBondContact CA-O 3.41Å; K316-S331 PolarHBondContact NZ-OG 3.08Å | ||
| 317 | Y | 98.4 | Very high | 97.1 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 148.9 | 175.3 | -65.6 | -92 | 0 | 0 | 0 | 110.8 | E300 A309 F310 R311 A330 K333 | E300-Y317 PolarHBondContact OE2-OH 2.57Å; A309-Y317 HydrophobicContact CB-CD1 4.13Å; A309-Y317 HydrophobicContact CB-CE1 4.49Å; F310-Y317 VanDerWaalsContact O-CA 3.3Å; F310-Y317 WeakPolarHBondContact O-CA 3.44Å; R311-Y317 HydrophobicContact CB-CD1 3.89Å; R311-Y317 HydrophobicContact CB-CE1 3.62Å; R311-Y317 HydrophobicContact CG-CD1 4.38Å; R311-Y317 HydrophobicContact CG-CE1 3.97Å; R311-Y317 HydrophobicContact CG-CE2 4.47Å; Y317-A330 PolarHBondContact N-O 2.79Å; Y317-A330 PolarHBondContact O-N 2.74Å; Y317-K333 HydrophobicContact CD1-CD 4.15Å; Y317-K333 HydrophobicContact CD1-CG 3.75Å; Y317-K333 HydrophobicContact CD2-CG 4.21Å; Y317-K333 HydrophobicContact CE1-CD 3.71Å; Y317-K333 HydrophobicContact CE1-CG 3.64Å; Y317-K333 HydrophobicContact CE2-CG 4.14Å; Y317-K333 HydrophobicContact CG-CG 4.02Å |
| 318 | W | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 138.4 | 162.6 | -72.4 | 30.3 | 0 | 0 | 0 | 109.1 | L268 V276 L284 F297 F310 L326 Q327 C337 F339 L350 L366 | L268-W318 HydrophobicContact CD1-CH2 3.48Å; L268-W318 VanDerWaalsContact CD1-CH2 3.48Å; L268-W318 HydrophobicContact CD1-CZ2 4.11Å; L268-W318 HydrophobicContact CD1-CZ3 4.1Å; V276-W318 HydrophobicContact CB-CH2 4.32Å; V276-W318 HydrophobicContact CB-CZ2 4.39Å; V276-W318 HydrophobicContact CG1-CH2 3.66Å; V276-W318 HydrophobicContact CG1-CZ2 3.56Å; V276-W318 HydrophobicContact CG2-CH2 4.43Å; L284-W318 HydrophobicContact CD1-CB 4.15Å; L284-W318 HydrophobicContact CD1-CD2 3.31Å; L284-W318 VanDerWaalsContact CD1-CE2 3.48Å; L284-W318 HydrophobicContact CD1-CE3 3.84Å; L284-W318 HydrophobicContact CD1-CG 3.45Å; L284-W318 VanDerWaalsContact CD1-CG 3.45Å; L284-W318 HydrophobicContact CD1-CZ2 4.13Å; L284-W318 HydrophobicContact CD1-CZ3 4.43Å; L284-W318 HydrophobicContact CD2-CD2 4.48Å; L284-W318 HydrophobicContact CD2-CZ2 4.07Å; F297-W318 AromaticContact CD1-CE2 3.89Å; F297-W318 HydrophobicContact CD1-CZ2 4.1Å; F297-W318 AromaticContact CD1-NE1 3.14Å; F297-W318 AromaticContact CD2-CZ2 3.79Å; F297-W318 HydrophobicContact CD2-CZ2 3.79Å; F297-W318 AromaticContact CE1-CE2 3.9Å; F297-W318 AromaticContact CE1-CZ2 3.99Å; F297-W318 HydrophobicContact CE1-CZ2 3.99Å; F297-W318 AromaticContact CE1-NE1 3.18Å; F297-W318 AromaticContact CE2-CZ2 3.68Å; F297-W318 HydrophobicContact CE2-CZ2 3.68Å; F297-W318 AromaticContact CG-CZ2 3.99Å; F297-W318 HydrophobicContact CG-CZ2 3.99Å; F297-W318 AromaticContact CG-NE1 3.79Å; F297-W318 AromaticContact CZ-CZ2 3.78Å; F297-W318 HydrophobicContact CZ-CZ2 3.78Å; F297-W318 AromaticContact CZ-NE1 3.87Å; F310-W318 HydrophobicContact CB-CB 4.11Å; F310-W318 HydrophobicContact CB-CD2 3.69Å; F310-W318 HydrophobicContact CB-CE3 4.33Å; F310-W318 HydrophobicContact CB-CG 3.57Å; F310-W318 AromaticContact CD2-CD2 3.99Å; F310-W318 HydrophobicContact CD2-CD2 3.99Å; F310-W318 AromaticContact CD2-CE3 3.74Å; F310-W318 HydrophobicContact CD2-CE3 3.74Å; F310-W318 HydrophobicContact CD2-CG 4.41Å; F310-W318 HydrophobicContact CD2-CZ3 4.2Å; F310-W318 HydrophobicContact CE2-CE3 4.39Å; F310-W318 HydrophobicContact CE2-CZ3 4.49Å; F310-W318 HydrophobicContact CG-CD2 4.06Å; F310-W318 HydrophobicContact CG-CE3 4.22Å; F310-W318 HydrophobicContact CG-CG 4.38Å; F310-W318 PolarHBondContact O-N 3.01Å; W318-L326 HydrophobicContact CE3-CD1 4.25Å; W318-L326 HydrophobicContact CZ3-CD1 4.44Å; W318-Q327 CarbonylContact C-O 3.47Å; W318-Q327 VanDerWaalsContact CA-O 3.3Å; W318-Q327 WeakPolarHBondContact CA-O 3.47Å; W318-C337 VanDerWaalsContact O-CA 3.24Å; W318-C337 WeakPolarHBondContact O-CA 3.27Å; W318-C337 WeakPolarHBondContact O-CB 3.43Å; W318-C337 PolarHBondContact O-SG 3.49Å; W318-C337 VanDerWaalsContact O-SG 3.39Å; W318-F339 HydrophobicContact CB-CE2 3.87Å; W318-F339 HydrophobicContact CB-CZ 4.14Å; W318-F339 HydrophobicContact CE3-CE2 4.5Å; W318-F339 HydrophobicContact CE3-CZ 4.39Å; W318-L350 HydrophobicContact CZ3-CD1 4.29Å; W318-L366 HydrophobicContact CH2-CD1 3.91Å; W318-L366 HydrophobicContact CZ3-CD1 3.98Å |
| 319 | T | 98.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.4 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 111 | Q327 A330 N336 | T319-Q327 HydrophobicContact CG2-CB 4.32Å; T319-Q327 PolarHBondContact N-O 3.39Å; T319-Q327 PolarHBondContact O-N 3.3Å; T319-A330 HydrophobicContact CG2-CB 4.09Å; T319-N336 WeakPolarHBondContact CA-O 3.45Å |
| 320 | L | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.3 | 167.9 | -177.8 | 67 | 0 | 0 | 0 | 110.4 | L326 N336 A352 A353 N354 A368 | L320-L326 HydrophobicContact CB-CD2 4.14Å; L320-L326 HydrophobicContact CD1-CD2 3.8Å; L320-N336 HydrophobicContact CB-CB 4.15Å; L320-N336 PolarHBondContact N-O 2.84Å; L320-A352 HydrophobicContact CD1-CB 4.31Å; L320-A352 HydrophobicContact CD2-CB 4.1Å; L320-A353 HydrophobicContact CD2-CB 4.32Å; L320-N354 HydrophobicContact CD2-CB 3.71Å; L320-A368 HydrophobicContact CD1-CB 3.84Å |
| 321 | T | 97.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | trans | -102.6 | 164.6 | 174.2 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | N323 G324 G325 Q327 | T321-N323 PolarHBondContact O-N 2.88Å; T321-N323 VanDerWaalsContact O-N 3.16Å; T321-N323 PolarHBondContact OG1-OD1 2.82Å; T321-G324 PolarHBondContact O-N 2.97Å; T321-G325 WeakPolarHBondContact CB-O 3.38Å; T321-G325 PolarHBondContact N-O 2.78Å; T321-G325 PolarHBondContact OG1-N 3.28Å; T321-G325 PolarHBondContact OG1-O 2.74Å; T321-Q327 HydrophobicContact CG2-CB 4.13Å; T321-Q327 HydrophobicContact CG2-CG 3.71Å | ||
| 322 | A | 95.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 98% | 0.983 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G324 | A322-G324 VanDerWaalsContact C-N 3.31Š|
| 323 | N | 94.4 | Very high | 96.7 | Very high | 131 Ų | 131 | 44.5 Ų | 44.5 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.9 | 177.5 | 71.5 | 10.3 | 0 | 0 | 0 | 113.3 | T321 G325 | T321-N323 PolarHBondContact O-N 2.88Å; T321-N323 VanDerWaalsContact O-N 3.16Å; T321-N323 PolarHBondContact OG1-OD1 2.82Å; N323-G325 PolarHBondContact OD1-N 2.73Å |
| 324 | G | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 86.3 | -6.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T321 A322 A367 A368 | T321-G324 PolarHBondContact O-N 2.97Å; A322-G324 VanDerWaalsContact C-N 3.31Å; G324-A367 CarbonylContact O-C 3.46Å; G324-A367 VanDerWaalsContact O-CA 3.26Å; G324-A367 WeakPolarHBondContact O-CA 3.19Å; G324-A367 WeakPolarHBondContact O-CB 3.31Å; G324-A368 PolarHBondContact O-N 3.43Å |
| 325 | G | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 152.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T321 N323 | T321-G325 WeakPolarHBondContact CB-O 3.38Å; T321-G325 PolarHBondContact N-O 2.78Å; T321-G325 PolarHBondContact OG1-N 3.28Å; T321-G325 PolarHBondContact OG1-O 2.74Å; N323-G325 PolarHBondContact OD1-N 2.73Å |
| 326 | L | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.7 | 173.2 | -60.4 | -170.4 | 0 | 0 | 0 | 111.9 | L284 W318 L320 F339 V358 L366 | L284-L326 HydrophobicContact CD1-CB 4.03Å; L284-L326 PolarHBondContact N-O 2.85Å; W318-L326 HydrophobicContact CE3-CD1 4.25Å; W318-L326 HydrophobicContact CZ3-CD1 4.44Å; L320-L326 HydrophobicContact CB-CD2 4.14Å; L320-L326 HydrophobicContact CD1-CD2 3.8Å; L326-F339 HydrophobicContact CD1-CE1 3.84Å; L326-F339 HydrophobicContact CD1-CZ 4.15Å; L326-F339 HydrophobicContact CD2-CE1 3.83Å; L326-F339 HydrophobicContact CD2-CZ 4.01Å; L326-V358 HydrophobicContact CD1-CB 4.37Å; L326-V358 HydrophobicContact CD1-CG1 3.52Å; L326-V358 HydrophobicContact CD1-CG2 3.84Å; L326-V358 HydrophobicContact CG-CG1 4.47Å; L326-L366 HydrophobicContact CB-CB 4.13Å; L326-L366 HydrophobicContact CD1-CB 4.13Å; L326-L366 HydrophobicContact CD1-CD1 4.45Å; L326-L366 HydrophobicContact CG-CB 4.33Å; L326-L366 PolarHBondContact N-O 2.89Å |
| 327 | Q | 97.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 46 Ų | 46 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 163.2 | 179.3 | -70.1 | -173.8 | -16.5 | 0 | 0 | 111.9 | M282 D283 W318 T319 T321 T329 | M282-Q327 CarbonylContact O-C 3.5Å; M282-Q327 WeakPolarHBondContact O-CA 3.35Å; M282-Q327 VanDerWaalsContact O-CB 3.27Å; M282-Q327 WeakPolarHBondContact O-CB 3.41Å; D283-Q327 VanDerWaalsContact OD1-CG 3.24Å; D283-Q327 WeakPolarHBondContact OD1-CG 3.27Å; D283-Q327 PolarHBondContact OD1-NE2 2.67Å; W318-Q327 CarbonylContact C-O 3.47Å; W318-Q327 VanDerWaalsContact CA-O 3.3Å; W318-Q327 WeakPolarHBondContact CA-O 3.47Å; T319-Q327 HydrophobicContact CG2-CB 4.32Å; T319-Q327 PolarHBondContact N-O 3.39Å; T319-Q327 PolarHBondContact O-N 3.3Å; T321-Q327 HydrophobicContact CG2-CB 4.13Å; T321-Q327 HydrophobicContact CG2-CG 3.71Å; Q327-T329 HydrophobicContact CB-CG2 4.26Å |
| 328 | C | 94.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.108 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 54.3 | 175.6 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | T278 M282 L284 T312 K316 | T278-C328 HydrophobicContact CG2-CB 4.14Å; M282-C328 PolarHBondContact O-N 3.26Å; L284-C328 HydrophobicContact CD2-CB 4.24Å; L284-C328 HydrophobicContact CG-CB 4.37Å; T312-C328 HydrophobicContact CG2-CB 3.97Å; K316-C328 WeakPolarHBondContact CB-O 3.38Å |
| 329 | T | 96.4 | Very high | 96.8 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 34% | 0.344 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -17 | -171.7 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | M282 Q327 S331 | M282-T329 HydrophobicContact CB-CG2 3.98Å; M282-T329 HydrophobicContact CG-CG2 3.91Å; M282-T329 HydrophobicContact SD-CG2 4.09Å; Q327-T329 HydrophobicContact CB-CG2 4.26Å; T329-S331 PolarHBondContact O-N 2.8Å |
| 330 | A | 96.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 128.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K316 Y317 T319 C337 | K316-A330 CarbonylContact C-O 3.48Å; K316-A330 VanDerWaalsContact CA-O 3.24Å; K316-A330 WeakPolarHBondContact CA-O 3.41Å; Y317-A330 PolarHBondContact N-O 2.79Å; Y317-A330 PolarHBondContact O-N 2.74Å; T319-A330 HydrophobicContact CG2-CB 4.09Å; A330-C337 VanDerWaalsContact CB-SG 3.6Å |
| 331 | S | 95.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 57% | 0.573 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -93.2 | -15.3 | 179.2 | -53.3 | 0 | 0 | 0 | 0 | 113 | K316 T329 | K316-S331 PolarHBondContact NZ-OG 3.08Å; T329-S331 PolarHBondContact O-N 2.8Å |
| 332 | S | 94.8 | Very high | 96.6 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -138.2 | 152.1 | 173.5 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 333 | K | 95.6 | Very high | 96.6 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | trans | -68.9 | 133.8 | 178 | -69.5 | -179.8 | -72 | -162.3 | 0 | 110 | E300 A309 Y317 Y338 | E300-K333 IonicContact OE2-NZ 3.54Å; E300-K333 PolarHBondContact OE2-NZ 2.95Å; A309-K333 HydrophobicContact CB-CD 3.79Å; A309-K333 HydrophobicContact CB-CG 4.32Å; Y317-K333 HydrophobicContact CD1-CD 4.15Å; Y317-K333 HydrophobicContact CD1-CG 3.75Å; Y317-K333 HydrophobicContact CD2-CG 4.21Å; Y317-K333 HydrophobicContact CE1-CD 3.71Å; Y317-K333 HydrophobicContact CE1-CG 3.64Å; Y317-K333 HydrophobicContact CE2-CG 4.14Å; Y317-K333 HydrophobicContact CG-CG 4.02Å; K333-Y338 HydrophobicContact CB-CE2 4.45Å; K333-Y338 HydrophobicContact CD-CE1 4.38Å | ||
| 334 | S | 95.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | trans | -129.5 | 176.9 | 170.1 | 72.4 | 0 | 0 | 0 | 0 | 109.2 | N336 C337 Y338 | S334-N336 PolarHBondContact O-N 2.93Å; S334-N336 VanDerWaalsContact O-N 3.13Å; S334-N336 PolarHBondContact OG-N 2.83Å; S334-C337 WeakPolarHBondContact O-CB 3.09Å; S334-C337 PolarHBondContact O-N 2.84Å; S334-Y338 VanDerWaalsContact O-CD2 3.3Å; S334-Y338 WeakPolarHBondContact O-CD2 3.09Å | ||
| 335 | T | 96.1 | Very high | 96.5 | Very high | 111 Ų | 111 | 47.4 Ų | 47.4 | 68% | 0.681 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -52.1 | -35.9 | 174.7 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | C337 Y338 A353 | T335-C337 PolarHBondContact O-N 3.26Å; T335-Y338 PolarHBondContact O-N 3.45Å; T335-A353 HydrophobicContact CG2-CB 4.29Å; T335-A353 WeakPolarHBondContact O-CB 3.28Å |
| 336 | N | 97.9 | Very high | 96.5 | Very high | 72 Ų | 72 | 50.4 Ų | 50.4 | 39% | 0.385 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -73.7 | -10.3 | 179.9 | -68.9 | -16.8 | 0 | 0 | 0 | 114 | T319 L320 S334 | T319-N336 WeakPolarHBondContact CA-O 3.45Å; L320-N336 HydrophobicContact CB-CB 4.15Å; L320-N336 PolarHBondContact N-O 2.84Å; S334-N336 PolarHBondContact O-N 2.93Å; S334-N336 VanDerWaalsContact O-N 3.13Å; S334-N336 PolarHBondContact OG-N 2.83Å |
| 337 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -90.4 | -6.1 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | A309 W318 A330 S334 T335 F339 | A309-C337 WeakPolarHBondContact CA-O 3.23Å; W318-C337 VanDerWaalsContact O-CA 3.24Å; W318-C337 WeakPolarHBondContact O-CA 3.27Å; W318-C337 WeakPolarHBondContact O-CB 3.43Å; W318-C337 PolarHBondContact O-SG 3.49Å; W318-C337 VanDerWaalsContact O-SG 3.39Å; A330-C337 VanDerWaalsContact CB-SG 3.6Å; S334-C337 WeakPolarHBondContact O-CB 3.09Å; S334-C337 PolarHBondContact O-N 2.84Å; T335-C337 PolarHBondContact O-N 3.26Å; C337-F339 WeakPolarHBondContact O-CD2 3.4Å; C337-F339 WeakPolarHBondContact O-CE2 3.42Å |
| 338 | Y | 98.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 51.5 Ų | 51.5 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | trans | -101.3 | 136.5 | -176.7 | -72.8 | -64.1 | 0 | 0 | 0 | 111.5 | C302 K307 C308 A309 K333 S334 T335 | C302-Y338 HydrophobicContact CB-CD1 4.42Å; C302-Y338 HydrophobicContact CB-CE1 3.76Å; K307-Y338 HydrophobicContact CB-CD1 3.92Å; K307-Y338 HydrophobicContact CB-CG 4.15Å; C308-Y338 WeakPolarHBondContact O-CA 3.24Å; A309-Y338 HydrophobicContact CB-CD1 4.21Å; A309-Y338 HydrophobicContact CB-CE1 4.12Å; K333-Y338 HydrophobicContact CB-CE2 4.45Å; K333-Y338 HydrophobicContact CD-CE1 4.38Å; S334-Y338 VanDerWaalsContact O-CD2 3.3Å; S334-Y338 WeakPolarHBondContact O-CD2 3.09Å; T335-Y338 PolarHBondContact O-N 3.45Å | ||
| 339 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 141.1 | 178.1 | -54.4 | -97.5 | 0 | 0 | 0 | 109.4 | C308 F310 W318 L326 C337 L350 R351 A352 V358 | C308-F339 PolarHBondContact N-O 3.39Å; C308-F339 PolarHBondContact O-N 3.09Å; C308-F339 PolarHBondContact SG-O 3.21Å; C308-F339 VanDerWaalsContact SG-O 3.37Å; F310-F339 HydrophobicContact CD2-CD2 4.05Å; F310-F339 HydrophobicContact CD2-CE2 4.34Å; F310-F339 HydrophobicContact CE2-CD2 4.18Å; W318-F339 HydrophobicContact CB-CE2 3.87Å; W318-F339 HydrophobicContact CB-CZ 4.14Å; W318-F339 HydrophobicContact CE3-CE2 4.5Å; W318-F339 HydrophobicContact CE3-CZ 4.39Å; L326-F339 HydrophobicContact CD1-CE1 3.84Å; L326-F339 HydrophobicContact CD1-CZ 4.15Å; L326-F339 HydrophobicContact CD2-CE1 3.83Å; L326-F339 HydrophobicContact CD2-CZ 4.01Å; C337-F339 WeakPolarHBondContact O-CD2 3.4Å; C337-F339 WeakPolarHBondContact O-CE2 3.42Å; F339-L350 HydrophobicContact CB-CD2 4.48Å; F339-R351 CarbonylContact C-O 3.55Å; F339-R351 VanDerWaalsContact CA-O 3.26Å; F339-R351 WeakPolarHBondContact CA-O 3.38Å; F339-A352 HydrophobicContact CD1-CB 3.93Å; F339-A352 HydrophobicContact CE1-CB 3.89Å; F339-V358 HydrophobicContact CD1-CG2 4.21Å; F339-V358 HydrophobicContact CE1-CG2 4.21Å |
| 340 | D | 97.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.6 | 167.3 | -56.6 | -74.5 | 0 | 0 | 0 | 108.1 | K307 R351 | K307-D340 WeakPolarHBondContact CD-OD1 3.18Å; K307-D340 WeakPolarHBondContact CE-OD1 3.34Å; K307-D340 WeakPolarHBondContact CG-OD1 3.26Å; K307-D340 VanDerWaalsContact NZ-CG 3.27Å; K307-D340 IonicContact NZ-OD1 2.76Å; K307-D340 PolarHBondContact NZ-OD1 2.81Å; K307-D340 IonicContact NZ-OD2 2.66Å; K307-D340 PolarHBondContact NZ-OD2 2.84Å; D340-R351 HydrophobicContact CB-CB 4.24Å; D340-R351 PolarHBondContact N-O 2.89Å; D340-R351 PolarHBondContact O-N 3.46Å |
| 341 | I | 97.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 52 Ų | 52 | 16% | 0.159 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.3 | 173.2 | -54.7 | -179.8 | 0 | 0 | 0 | 107.9 | C308 W343 L348 L350 | C308-I341 HydrophobicContact CB-CD1 3.71Å; C308-I341 HydrophobicContact CB-CG1 4.04Å; C308-I341 VanDerWaalsContact SG-CD1 3.59Å; C308-I341 WeakPolarHBondContact SG-CG1 3.26Å; I341-W343 HydrophobicContact CD1-CZ2 4.31Å; I341-W343 HydrophobicContact CG2-CD2 3.97Å; I341-W343 HydrophobicContact CG2-CE3 4.45Å; I341-W343 HydrophobicContact CG2-CG 4.47Å; I341-W343 HydrophobicContact CG2-CH2 4.33Å; I341-W343 HydrophobicContact CG2-CZ2 3.73Å; I341-L348 HydrophobicContact CG2-CB 3.99Å; I341-L348 HydrophobicContact CG2-CD1 4.33Å; I341-L348 HydrophobicContact CG2-CD2 4.08Å; I341-L348 HydrophobicContact CG2-CG 4.39Å; I341-L350 HydrophobicContact CG1-CD2 3.9Å |
| 342 | E | 96.5 | Very high | 96.9 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 28% | 0.276 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.7 | 170.2 | -67 | 174.4 | -161.7 | 0 | 0 | 109 | R344 L348 T349 Y357 | E342-R344 IonicContact OE2-NH2 2.6Å; E342-L348 CarbonylContact O-C 3.48Å; E342-L348 VanDerWaalsContact O-CA 3.24Å; E342-L348 WeakPolarHBondContact O-CA 3.42Å; E342-T349 WeakPolarHBondContact CB-OG1 3.26Å; E342-T349 PolarHBondContact N-O 3.4Å; E342-T349 PolarHBondContact O-N 3.01Å; E342-Y357 VanDerWaalsContact CD-OH 3.26Å; E342-Y357 PolarHBondContact OE1-OH 3.1Å; E342-Y357 WeakPolarHBondContact OE2-CE1 3.2Å; E342-Y357 PolarHBondContact OE2-OH 3.28Å |
| 343 | W | 95.6 | Very high | 97 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 125.1 | -178.8 | -58.3 | 100.8 | 0 | 0 | 0 | 111.3 | I341 L348 M381 F456 E457 F458 | I341-W343 HydrophobicContact CD1-CZ2 4.31Å; I341-W343 HydrophobicContact CG2-CD2 3.97Å; I341-W343 HydrophobicContact CG2-CE3 4.45Å; I341-W343 HydrophobicContact CG2-CG 4.47Å; I341-W343 HydrophobicContact CG2-CH2 4.33Å; I341-W343 HydrophobicContact CG2-CZ2 3.73Å; W343-L348 HydrophobicContact CE3-CB 4.22Å; W343-L348 HydrophobicContact CE3-CD2 4.41Å; W343-L348 HydrophobicContact CH2-CD2 4.34Å; W343-L348 HydrophobicContact CZ3-CD2 3.96Å; W343-M381 HydrophobicContact CH2-CE 3.17Å; W343-M381 HydrophobicContact CZ2-CE 4.14Å; W343-M381 HydrophobicContact CZ3-CE 3.68Å; W343-F456 VanDerWaalsContact CH2-O 3.23Å; W343-F456 WeakPolarHBondContact CH2-O 3.5Å; W343-F456 WeakPolarHBondContact CZ3-O 3.31Å; W343-E457 HydrophobicContact CB-CG 4.28Å; W343-E457 HydrophobicContact CD2-CB 3.98Å; W343-E457 HydrophobicContact CD2-CG 3.66Å; W343-E457 HydrophobicContact CE3-CG 4.07Å; W343-E457 HydrophobicContact CG-CB 4.21Å; W343-E457 HydrophobicContact CG-CG 3.72Å; W343-E457 VanDerWaalsContact CZ2-CA 3.43Å; W343-E457 HydrophobicContact CZ2-CB 4.09Å; W343-F458 AromaticContact CH2-CD2 3.9Å; W343-F458 HydrophobicContact CH2-CD2 3.9Å; W343-F458 HydrophobicContact CZ2-CB 4.26Å; W343-F458 HydrophobicContact CZ2-CD2 4.37Å |
| 344 | R | 94.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 45.2 Ų | 45.2 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 68.4 | -177.7 | -63.9 | -169 | 177.7 | -159 | -4 | 110.2 | E342 K346 R347 A373 | E342-R344 IonicContact OE2-NH2 2.6Å; R344-K346 PolarHBondContact O-N 2.8Å; R344-K346 VanDerWaalsContact O-N 3.11Å; R344-R347 CarbonylContact C-O 3.54Å; R344-R347 WeakPolarHBondContact CA-O 3.39Å; R344-R347 HydrophobicContact CB-CB 4.43Å; R344-R347 PolarHBondContact N-O 2.86Å; R344-R347 PolarHBondContact O-N 2.62Å; R344-A373 PolarHBondContact NH1-O 3.22Å |
| 345 | G | 94.2 | Very high | 97.3 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | -114.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | R347 | G345-R347 PolarHBondContact O-N 2.89Š|
| 346 | K | 96.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.8 | 178.5 | -67.8 | -176.2 | 172.2 | -159.7 | 0 | 114.2 | R344 D423 G424 A425 D453 L455 | R344-K346 PolarHBondContact O-N 2.8Å; R344-K346 VanDerWaalsContact O-N 3.11Å; K346-D423 WeakPolarHBondContact CB-O 3.17Å; K346-D423 WeakPolarHBondContact CD-O 3.21Å; K346-G424 WeakPolarHBondContact O-CA 3.46Å; K346-A425 HydrophobicContact CG-CB 4.4Å; K346-D453 VanDerWaalsContact CE-OD2 3.27Å; K346-D453 WeakPolarHBondContact CE-OD2 3.43Å; K346-D453 IonicContact NZ-OD2 2.7Å; K346-D453 PolarHBondContact NZ-OD2 3.19Å; K346-L455 HydrophobicContact CG-CD2 3.97Å |
| 347 | R | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 24% | 0.238 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 169.6 | -178.6 | -58.9 | -64 | -178.1 | -93.8 | 1.1 | 109.8 | R344 G345 E378 F379 I380 D423 | R344-R347 CarbonylContact C-O 3.54Å; R344-R347 WeakPolarHBondContact CA-O 3.39Å; R344-R347 HydrophobicContact CB-CB 4.43Å; R344-R347 PolarHBondContact N-O 2.86Å; R344-R347 PolarHBondContact O-N 2.62Å; G345-R347 PolarHBondContact O-N 2.89Å; R347-E378 HydrophobicContact CB-CB 4.14Å; R347-E378 HydrophobicContact CB-CG 4.33Å; R347-E378 HydrophobicContact CG-CB 4.37Å; R347-F379 CarbonylContact C-O 3.59Å; R347-F379 WeakPolarHBondContact CA-O 3.4Å; R347-I380 VanDerWaalsContact CD-CG1 3.43Å; R347-I380 VanDerWaalsContact CZ-CD1 3.48Å; R347-I380 VanDerWaalsContact CZ-CG1 3.5Å; R347-D423 IonicContact CZ-OD1 2.66Å; R347-D423 PolarHBondContact NH1-O 3.22Å; R347-D423 VanDerWaalsContact NH1-O 3.15Å; R347-D423 IonicContact NH1-OD1 2.67Å; R347-D423 PolarHBondContact NH1-OD1 3.27Å; R347-D423 IonicContact NH1-OD2 3.8Å; R347-D423 IonicContact NH2-OD1 3.23Å; R347-D423 PolarHBondContact NH2-OD1 3.09Å; R347-D423 IonicContact NH2-OD2 2.7Å |
| 348 | L | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 160.5 | 167.7 | 67.4 | 85.8 | 0 | 0 | 0 | 110.6 | I341 E342 W343 L350 E378 F379 M381 | I341-L348 HydrophobicContact CG2-CB 3.99Å; I341-L348 HydrophobicContact CG2-CD1 4.33Å; I341-L348 HydrophobicContact CG2-CD2 4.08Å; I341-L348 HydrophobicContact CG2-CG 4.39Å; E342-L348 CarbonylContact O-C 3.48Å; E342-L348 VanDerWaalsContact O-CA 3.24Å; E342-L348 WeakPolarHBondContact O-CA 3.42Å; W343-L348 HydrophobicContact CE3-CB 4.22Å; W343-L348 HydrophobicContact CE3-CD2 4.41Å; W343-L348 HydrophobicContact CH2-CD2 4.34Å; W343-L348 HydrophobicContact CZ3-CD2 3.96Å; L348-L350 HydrophobicContact CD1-CD1 4.47Å; L348-L350 HydrophobicContact CD1-CD2 3.62Å; L348-L350 HydrophobicContact CD1-CG 3.66Å; L348-E378 CarbonylContact O-C 3.5Å; L348-E378 WeakPolarHBondContact O-CA 3.44Å; L348-F379 HydrophobicContact CD1-CB 3.98Å; L348-F379 HydrophobicContact CG-CB 4.26Å; L348-F379 PolarHBondContact N-O 2.87Å; L348-F379 PolarHBondContact O-N 2.99Å; L348-M381 HydrophobicContact CD2-CB 3.58Å; L348-M381 HydrophobicContact CD2-CE 3.41Å; L348-M381 VanDerWaalsContact CD2-CE 3.41Å; L348-M381 HydrophobicContact CD2-CG 4.34Å; L348-M381 HydrophobicContact CD2-SD 3.9Å |
| 349 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.4 | 168.1 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | E342 A373 E377 E378 | E342-T349 WeakPolarHBondContact CB-OG1 3.26Å; E342-T349 PolarHBondContact N-O 3.4Å; E342-T349 PolarHBondContact O-N 3.01Å; T349-A373 HydrophobicContact CG2-CB 3.68Å; T349-E377 HydrophobicContact CG2-CB 4.42Å; T349-E378 HydrophobicContact CG2-CG 3.99Å |
| 350 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.8 | 178.1 | -62.9 | 174.7 | 0 | 0 | 0 | 109.6 | L268 F310 W318 F339 I341 L348 Y357 V358 | L268-L350 HydrophobicContact CD1-CD1 4.4Å; F310-L350 HydrophobicContact CE2-CD1 4.02Å; F310-L350 HydrophobicContact CE2-CD2 4.12Å; F310-L350 HydrophobicContact CZ-CD1 4.2Å; F310-L350 HydrophobicContact CZ-CD2 4.05Å; W318-L350 HydrophobicContact CZ3-CD1 4.29Å; F339-L350 HydrophobicContact CB-CD2 4.48Å; I341-L350 HydrophobicContact CG1-CD2 3.9Å; L348-L350 HydrophobicContact CD1-CD1 4.47Å; L348-L350 HydrophobicContact CD1-CD2 3.62Å; L348-L350 HydrophobicContact CD1-CG 3.66Å; L350-Y357 WeakPolarHBondContact O-CA 3.27Å; L350-V358 HydrophobicContact CB-CB 4.12Å; L350-V358 HydrophobicContact CB-CG2 3.94Å; L350-V358 WeakPolarHBondContact O-CG2 3.34Å; L350-V358 PolarHBondContact O-N 2.67Å |
| 351 | R | 98.3 | Very high | 97.3 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.5 | 174.2 | -170.9 | 178.9 | -178.4 | -167.9 | -4.3 | 109.9 | F339 D340 G355 K356 Y357 | F339-R351 CarbonylContact C-O 3.55Å; F339-R351 VanDerWaalsContact CA-O 3.26Å; F339-R351 WeakPolarHBondContact CA-O 3.38Å; D340-R351 HydrophobicContact CB-CB 4.24Å; D340-R351 PolarHBondContact N-O 2.89Å; D340-R351 PolarHBondContact O-N 3.46Å; R351-G355 VanDerWaalsContact NE-C 3.34Å; R351-G355 PolarHBondContact NE-O 2.7Å; R351-G355 PolarHBondContact NH2-O 3.33Å; R351-K356 WeakPolarHBondContact CA-O 3.42Å; R351-Y357 HydrophobicContact CB-CD1 4.18Å; R351-Y357 HydrophobicContact CB-CE1 4.14Å |
| 352 | A | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | trans | -85.4 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L320 F339 N354 G355 K356 V358 A368 | L320-A352 HydrophobicContact CD1-CB 4.31Å; L320-A352 HydrophobicContact CD2-CB 4.1Å; F339-A352 HydrophobicContact CD1-CB 3.93Å; F339-A352 HydrophobicContact CE1-CB 3.89Å; A352-N354 PolarHBondContact O-N 2.87Å; A352-N354 VanDerWaalsContact O-N 3.1Å; A352-G355 WeakPolarHBondContact O-CA 3.1Å; A352-G355 PolarHBondContact O-N 2.73Å; A352-K356 PolarHBondContact N-O 3.49Å; A352-V358 HydrophobicContact CB-CG2 4.42Å; A352-A368 HydrophobicContact CB-CB 3.53Å | ||
| 353 | A | 97.4 | Very high | 97.1 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L320 T335 G355 | L320-A353 HydrophobicContact CD2-CB 4.32Å; T335-A353 HydrophobicContact CG2-CB 4.29Å; T335-A353 WeakPolarHBondContact O-CB 3.28Å; A353-G355 PolarHBondContact O-N 2.69Å |
| 354 | N | 97.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 3.6 | 172.7 | 64.9 | -5.1 | 0 | 0 | 0 | 113.4 | L320 A352 K356 A368 | L320-N354 HydrophobicContact CD2-CB 3.71Å; A352-N354 PolarHBondContact O-N 2.87Å; A352-N354 VanDerWaalsContact O-N 3.1Å; N354-K356 VanDerWaalsContact C-N 3.27Å; N354-K356 PolarHBondContact O-N 3.34Å; N354-K356 WeakPolarHBondContact OD1-CB 3.42Å; N354-K356 PolarHBondContact OD1-N 3.46Å; N354-A368 PolarHBondContact ND2-O 2.74Å |
| 355 | G | 97.7 | Very high | 97.3 | Very high | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 76.2 | 10.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R351 A352 A353 | R351-G355 VanDerWaalsContact NE-C 3.34Å; R351-G355 PolarHBondContact NE-O 2.7Å; R351-G355 PolarHBondContact NH2-O 3.33Å; A352-G355 WeakPolarHBondContact O-CA 3.1Å; A352-G355 PolarHBondContact O-N 2.73Å; A353-G355 PolarHBondContact O-N 2.69Å |
| 356 | K | 98.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | trans | -106.2 | 153.8 | -179.1 | -59.8 | -171.6 | 171.9 | -116.6 | 0 | 112 | R351 A352 N354 A368 T369 M370 D371 | R351-K356 WeakPolarHBondContact CA-O 3.42Å; A352-K356 PolarHBondContact N-O 3.49Å; N354-K356 VanDerWaalsContact C-N 3.27Å; N354-K356 PolarHBondContact O-N 3.34Å; N354-K356 WeakPolarHBondContact OD1-CB 3.42Å; N354-K356 PolarHBondContact OD1-N 3.46Å; K356-A368 HydrophobicContact CB-CB 4.35Å; K356-A368 WeakPolarHBondContact CB-O 3.41Å; K356-T369 PolarHBondContact NZ-O 2.83Å; K356-M370 CarbonylContact C-O 3.53Å; K356-M370 VanDerWaalsContact CA-O 3.29Å; K356-M370 WeakPolarHBondContact CA-O 3.24Å; K356-M370 WeakPolarHBondContact CB-O 3.35Å; K356-D371 WeakPolarHBondContact CE-OD1 3.29Å; K356-D371 IonicContact NZ-OD1 3.69Å; K356-D371 PolarHBondContact NZ-OD1 2.94Å; K356-D371 IonicContact NZ-OD2 2.74Å; K356-D371 PolarHBondContact NZ-OD2 2.9Å | ||
| 357 | Y | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.5 | 177.8 | -67.4 | -83.1 | 0 | 0 | 0 | 112 | E342 L350 R351 A368 T369 M370 A373 | E342-Y357 VanDerWaalsContact CD-OH 3.26Å; E342-Y357 PolarHBondContact OE1-OH 3.1Å; E342-Y357 WeakPolarHBondContact OE2-CE1 3.2Å; E342-Y357 PolarHBondContact OE2-OH 3.28Å; L350-Y357 WeakPolarHBondContact O-CA 3.27Å; R351-Y357 HydrophobicContact CB-CD1 4.18Å; R351-Y357 HydrophobicContact CB-CE1 4.14Å; Y357-A368 VanDerWaalsContact O-CA 3.31Å; Y357-A368 WeakPolarHBondContact O-CA 3.19Å; Y357-T369 PolarHBondContact O-N 2.87Å; Y357-M370 PolarHBondContact N-O 3.41Å; Y357-M370 PolarHBondContact O-N 3.23Å; Y357-A373 HydrophobicContact CD1-CB 3.54Å; Y357-A373 HydrophobicContact CD2-CB 3.91Å; Y357-A373 HydrophobicContact CE1-CB 3.74Å; Y357-A373 HydrophobicContact CE2-CB 4.1Å; Y357-A373 HydrophobicContact CG-CB 3.61Å |
| 358 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | L326 F339 L350 A352 L366 A367 A368 F379 | L326-V358 HydrophobicContact CD1-CB 4.37Å; L326-V358 HydrophobicContact CD1-CG1 3.52Å; L326-V358 HydrophobicContact CD1-CG2 3.84Å; L326-V358 HydrophobicContact CG-CG1 4.47Å; F339-V358 HydrophobicContact CD1-CG2 4.21Å; F339-V358 HydrophobicContact CE1-CG2 4.21Å; L350-V358 HydrophobicContact CB-CB 4.12Å; L350-V358 HydrophobicContact CB-CG2 3.94Å; L350-V358 WeakPolarHBondContact O-CG2 3.34Å; L350-V358 PolarHBondContact O-N 2.67Å; A352-V358 HydrophobicContact CB-CG2 4.42Å; V358-L366 HydrophobicContact CG1-CB 4.19Å; V358-L366 HydrophobicContact CG1-CD1 4.41Å; V358-A367 WeakPolarHBondContact CA-O 3.42Å; V358-A368 HydrophobicContact CG2-CB 4.13Å; V358-F379 HydrophobicContact CB-CE2 4.34Å; V358-F379 HydrophobicContact CB-CZ 4.43Å; V358-F379 HydrophobicContact CG1-CE2 4.36Å; V358-F379 HydrophobicContact CG1-CZ 3.96Å; V358-F379 WeakPolarHBondContact O-CE2 3.36Å |
| 359 | A | 98 | Very high | 97.6 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 159.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L366 A367 E377 | A359-L366 WeakPolarHBondContact O-CA 3.44Å; A359-A367 PolarHBondContact N-O 2.96Å; A359-A367 PolarHBondContact O-N 2.9Å; A359-E377 HydrophobicContact CB-CG 4.03Å; A359-E377 WeakPolarHBondContact CB-OE1 3.34Å |
| 360 | A | 97.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | A270 A286 L366 | A270-A360 HydrophobicContact CB-CB 3.86Å; A286-A360 HydrophobicContact CB-CB 4.06Å; A360-L366 HydrophobicContact CB-CD2 3.89Å |
| 361 | K | 96.3 | Very high | 97.3 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 39% | 0.391 | 27% | 0.265 | S | S | . | . | trans | -68.1 | 171.1 | 169.9 | -68.6 | 176.7 | -176.7 | 169.2 | 0 | 110.4 | N363 G364 Q365 A367 | K361-N363 VanDerWaalsContact CB-OD1 3.29Å; K361-N363 WeakPolarHBondContact CB-OD1 3.41Å; K361-N363 PolarHBondContact O-N 2.86Å; K361-G364 WeakPolarHBondContact O-CA 3.34Å; K361-G364 PolarHBondContact O-N 3.13Å; K361-Q365 WeakPolarHBondContact CB-O 3.21Å; K361-Q365 HydrophobicContact CD-CB 4.48Å; K361-Q365 WeakPolarHBondContact CG-O 3.36Å; K361-Q365 PolarHBondContact N-O 3.46Å; K361-A367 HydrophobicContact CD-CB 4.49Å; K361-A367 VanDerWaalsContact CE-CB 3.41Å | ||
| 362 | K | 94.7 | Very high | 97.2 | Very high | 230 Ų | 230 | 51 Ų | 51 | 100% | 1 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.8 | 175.4 | -66.5 | -173.5 | 178.3 | -177.2 | 0 | 114.3 | ||
| 363 | N | 94.3 | Very high | 97 | Very high | 93 Ų | 93 | 51.7 Ų | 51.7 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.2 | 176.8 | 68.1 | -12.4 | 0 | 0 | 0 | 113.5 | K361 Q365 | K361-N363 VanDerWaalsContact CB-OD1 3.29Å; K361-N363 WeakPolarHBondContact CB-OD1 3.41Å; K361-N363 PolarHBondContact O-N 2.86Å; N363-Q365 VanDerWaalsContact C-N 3.29Å; N363-Q365 PolarHBondContact ND2-OE1 2.89Å; N363-Q365 VanDerWaalsContact ND2-OE1 3.07Å; N363-Q365 PolarHBondContact O-N 2.89Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.27Å; N363-Q365 PolarHBondContact OD1-N 2.94Å |
| 364 | G | 96.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 85.9 | -21.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S285 A286 K361 L366 | S285-G364 CarbonylContact C-O 3.5Å; S285-G364 WeakPolarHBondContact CA-O 3.11Å; S285-G364 PolarHBondContact OG-O 3.43Å; A286-G364 PolarHBondContact N-O 2.91Å; A286-G364 WeakPolarHBondContact O-CA 3.42Å; K361-G364 WeakPolarHBondContact O-CA 3.34Å; K361-G364 PolarHBondContact O-N 3.13Å; G364-L366 PolarHBondContact O-N 3.05Å |
| 365 | Q | 98 | Very high | 96.6 | Very high | 49 Ų | 49 | 56 Ų | 56 | 23% | 0.229 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 134.9 | -175.5 | -71.5 | -177.2 | -34.9 | 0 | 0 | 111.9 | D283 L284 S285 K361 N363 | D283-Q365 PolarHBondContact OD2-NE2 2.93Å; D283-Q365 VanDerWaalsContact OD2-NE2 3.16Å; L284-Q365 WeakPolarHBondContact O-CA 3.48Å; S285-Q365 PolarHBondContact OG-N 3.09Å; K361-Q365 WeakPolarHBondContact CB-O 3.21Å; K361-Q365 HydrophobicContact CD-CB 4.48Å; K361-Q365 WeakPolarHBondContact CG-O 3.36Å; K361-Q365 PolarHBondContact N-O 3.46Å; N363-Q365 VanDerWaalsContact C-N 3.29Å; N363-Q365 PolarHBondContact ND2-OE1 2.89Å; N363-Q365 VanDerWaalsContact ND2-OE1 3.07Å; N363-Q365 PolarHBondContact O-N 2.89Å; N363-Q365 WeakPolarHBondContact OD1-CB 3.27Å; N363-Q365 PolarHBondContact OD1-N 2.94Å |
| 366 | L | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.7 | 178.6 | -59.7 | -167.5 | 0 | 0 | 0 | 111.7 | V276 L284 A286 W318 L326 V358 A359 A360 G364 F379 | V276-L366 HydrophobicContact CB-CD1 4.42Å; V276-L366 HydrophobicContact CG1-CD1 3.63Å; V276-L366 HydrophobicContact CG1-CG 4.41Å; V276-L366 HydrophobicContact CG2-CD1 3.83Å; V276-L366 HydrophobicContact CG2-CD2 4.37Å; L284-L366 HydrophobicContact CB-CB 4.37Å; L284-L366 HydrophobicContact CB-CD1 4.13Å; L284-L366 HydrophobicContact CB-CG 4.26Å; L284-L366 PolarHBondContact O-N 2.8Å; A286-L366 HydrophobicContact CB-CD2 4.33Å; W318-L366 HydrophobicContact CH2-CD1 3.91Å; W318-L366 HydrophobicContact CZ3-CD1 3.98Å; L326-L366 HydrophobicContact CB-CB 4.13Å; L326-L366 HydrophobicContact CD1-CB 4.13Å; L326-L366 HydrophobicContact CD1-CD1 4.45Å; L326-L366 HydrophobicContact CG-CB 4.33Å; L326-L366 PolarHBondContact N-O 2.89Å; V358-L366 HydrophobicContact CG1-CB 4.19Å; V358-L366 HydrophobicContact CG1-CD1 4.41Å; A359-L366 WeakPolarHBondContact O-CA 3.44Å; A360-L366 HydrophobicContact CB-CD2 3.89Å; G364-L366 PolarHBondContact O-N 3.05Å; L366-F379 HydrophobicContact CD2-CE1 4.29Å; L366-F379 HydrophobicContact CD2-CZ 4.37Å |
| 367 | A | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 145.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | G324 V358 A359 K361 T369 | G324-A367 CarbonylContact O-C 3.46Å; G324-A367 VanDerWaalsContact O-CA 3.26Å; G324-A367 WeakPolarHBondContact O-CA 3.19Å; G324-A367 WeakPolarHBondContact O-CB 3.31Å; V358-A367 WeakPolarHBondContact CA-O 3.42Å; A359-A367 PolarHBondContact N-O 2.96Å; A359-A367 PolarHBondContact O-N 2.9Å; K361-A367 HydrophobicContact CD-CB 4.49Å; K361-A367 VanDerWaalsContact CE-CB 3.41Å; A367-T369 HydrophobicContact CB-CG2 4.01Å; A367-T369 PolarHBondContact O-N 2.81Å |
| 368 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 80.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L320 G324 A352 N354 K356 Y357 V358 | L320-A368 HydrophobicContact CD1-CB 3.84Å; G324-A368 PolarHBondContact O-N 3.43Å; A352-A368 HydrophobicContact CB-CB 3.53Å; N354-A368 PolarHBondContact ND2-O 2.74Å; K356-A368 HydrophobicContact CB-CB 4.35Å; K356-A368 WeakPolarHBondContact CB-O 3.41Å; Y357-A368 VanDerWaalsContact O-CA 3.31Å; Y357-A368 WeakPolarHBondContact O-CA 3.19Å; V358-A368 HydrophobicContact CG2-CB 4.13Å |
| 369 | T | 96.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -13 | -173.9 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | K356 Y357 A367 | K356-T369 PolarHBondContact NZ-O 2.83Å; Y357-T369 PolarHBondContact O-N 2.87Å; A367-T369 HydrophobicContact CB-CG2 4.01Å; A367-T369 PolarHBondContact O-N 2.81Å |
| 370 | M | 95.6 | Very high | 96.4 | Very high | 77 Ų | 77 | 58.4 Ų | 58.4 | 38% | 0.379 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.1 | -171.4 | -61.1 | -57 | -68.5 | 0 | 0 | 111.7 | K356 Y357 E377 | K356-M370 CarbonylContact C-O 3.53Å; K356-M370 VanDerWaalsContact CA-O 3.29Å; K356-M370 WeakPolarHBondContact CA-O 3.24Å; K356-M370 WeakPolarHBondContact CB-O 3.35Å; Y357-M370 PolarHBondContact N-O 3.41Å; Y357-M370 PolarHBondContact O-N 3.23Å; M370-E377 HydrophobicContact CB-CG 4.1Å; M370-E377 HydrophobicContact CG-CG 4.2Å; M370-E377 WeakPolarHBondContact CG-OE1 3.45Å |
| 371 | D | 95.8 | Very high | 96.5 | Very high | 122 Ų | 122 | 58 Ų | 58 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -82.5 | -19.1 | -179.5 | -60.7 | -46.8 | 0 | 0 | 0 | 112.4 | K356 | K356-D371 WeakPolarHBondContact CE-OD1 3.29Å; K356-D371 IonicContact NZ-OD1 3.69Å; K356-D371 PolarHBondContact NZ-OD1 2.94Å; K356-D371 IonicContact NZ-OD2 2.74Å; K356-D371 PolarHBondContact NZ-OD2 2.9Å |
| 372 | S | 95.2 | Very high | 96.6 | Very high | 84 Ų | 84 | 56.3 Ų | 56.3 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -135.2 | 139.6 | 176.2 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 373 | A | 95 | Very high | 96.7 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | trans | -88.8 | 121.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R344 T349 Y357 E377 | R344-A373 PolarHBondContact NH1-O 3.22Å; T349-A373 HydrophobicContact CG2-CB 3.68Å; Y357-A373 HydrophobicContact CD1-CB 3.54Å; Y357-A373 HydrophobicContact CD2-CB 3.91Å; Y357-A373 HydrophobicContact CE1-CB 3.74Å; Y357-A373 HydrophobicContact CE2-CB 4.1Å; Y357-A373 HydrophobicContact CG-CB 3.61Å; A373-E377 HydrophobicContact CB-CB 3.78Å; A373-E377 HydrophobicContact CB-CG 4.25Å | ||
| 374 | G | 93.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | trans | -109.6 | -161.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S376 E377 | G374-S376 VanDerWaalsContact C-N 3.25Å; G374-S376 PolarHBondContact O-N 3.11Å; G374-E377 PolarHBondContact N-OE2 3.44Å; G374-E377 PolarHBondContact O-N 3.07Å; G374-E377 VanDerWaalsContact O-N 3.11Å | ||
| 375 | E | 93.8 | Very high | 96.8 | Very high | 166 Ų | 166 | 42.3 Ų | 42.3 | 78% | 0.776 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -60.1 | -31 | -174.7 | -63.6 | 178.5 | 175.2 | 0 | 0 | 113.6 | E377 E378 | E375-E377 VanDerWaalsContact C-N 3.28Å; E375-E377 PolarHBondContact O-N 3.31Å; E375-E378 PolarHBondContact O-N 2.98Å |
| 376 | S | 94.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 40 Ų | 40 | 54% | 0.538 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -72.8 | -18.9 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 114 | G374 | G374-S376 VanDerWaalsContact C-N 3.25Å; G374-S376 PolarHBondContact O-N 3.11Å |
| 377 | E | 97.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -93.3 | -3.2 | 177.3 | -69 | 65.4 | -119.8 | 0 | 0 | 112.1 | T349 A359 M370 A373 G374 E375 F379 | T349-E377 HydrophobicContact CG2-CB 4.42Å; A359-E377 HydrophobicContact CB-CG 4.03Å; A359-E377 WeakPolarHBondContact CB-OE1 3.34Å; M370-E377 HydrophobicContact CB-CG 4.1Å; M370-E377 HydrophobicContact CG-CG 4.2Å; M370-E377 WeakPolarHBondContact CG-OE1 3.45Å; A373-E377 HydrophobicContact CB-CB 3.78Å; A373-E377 HydrophobicContact CB-CG 4.25Å; G374-E377 PolarHBondContact N-OE2 3.44Å; G374-E377 PolarHBondContact O-N 3.07Å; G374-E377 VanDerWaalsContact O-N 3.11Å; E375-E377 VanDerWaalsContact C-N 3.28Å; E375-E377 PolarHBondContact O-N 3.31Å; E377-F379 VanDerWaalsContact O-CD2 3.24Å; E377-F379 WeakPolarHBondContact O-CD2 3.32Å; E377-F379 WeakPolarHBondContact O-CE2 3.24Å |
| 378 | E | 97.8 | Very high | 96.4 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 23% | 0.229 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.5 | 179.3 | -67.3 | -170.3 | 160.4 | 0 | 0 | 111.7 | G271 R347 L348 T349 E375 | G271-E378 PolarHBondContact N-O 2.84Å; G271-E378 VanDerWaalsContact N-O 3.12Å; R347-E378 HydrophobicContact CB-CB 4.14Å; R347-E378 HydrophobicContact CB-CG 4.33Å; R347-E378 HydrophobicContact CG-CB 4.37Å; L348-E378 CarbonylContact O-C 3.5Å; L348-E378 WeakPolarHBondContact O-CA 3.44Å; T349-E378 HydrophobicContact CG2-CG 3.99Å; E375-E378 PolarHBondContact O-N 2.98Å |
| 379 | F | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 147.9 | 174.6 | -64.7 | -99.1 | 0 | 0 | 0 | 110 | L268 T269 A270 V276 R347 L348 V358 L366 E377 | L268-F379 HydrophobicContact CB-CD1 4.41Å; L268-F379 HydrophobicContact CD2-CB 4.29Å; T269-F379 CarbonylContact O-C 3.47Å; T269-F379 WeakPolarHBondContact O-CA 3.41Å; A270-F379 HydrophobicContact CB-CD1 3.94Å; A270-F379 HydrophobicContact CB-CE1 3.59Å; A270-F379 HydrophobicContact CB-CZ 4.36Å; V276-F379 HydrophobicContact CG2-CE1 4.18Å; R347-F379 CarbonylContact C-O 3.59Å; R347-F379 WeakPolarHBondContact CA-O 3.4Å; L348-F379 HydrophobicContact CD1-CB 3.98Å; L348-F379 HydrophobicContact CG-CB 4.26Å; L348-F379 PolarHBondContact N-O 2.87Å; L348-F379 PolarHBondContact O-N 2.99Å; V358-F379 HydrophobicContact CB-CE2 4.34Å; V358-F379 HydrophobicContact CB-CZ 4.43Å; V358-F379 HydrophobicContact CG1-CE2 4.36Å; V358-F379 HydrophobicContact CG1-CZ 3.96Å; V358-F379 WeakPolarHBondContact O-CE2 3.36Å; L366-F379 HydrophobicContact CD2-CE1 4.29Å; L366-F379 HydrophobicContact CD2-CZ 4.37Å; E377-F379 VanDerWaalsContact O-CD2 3.24Å; E377-F379 WeakPolarHBondContact O-CD2 3.32Å; E377-F379 WeakPolarHBondContact O-CE2 3.24Å |
| 380 | I | 98.3 | Very high | 96.2 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134 | 161.5 | -63 | 173.9 | 0 | 0 | 0 | 107.4 | L268 T269 R347 F421 | L268-I380 WeakPolarHBondContact CA-O 3.08Å; T269-I380 PolarHBondContact N-O 2.9Å; T269-I380 PolarHBondContact O-N 2.86Å; R347-I380 VanDerWaalsContact CD-CG1 3.43Å; R347-I380 VanDerWaalsContact CZ-CD1 3.48Å; R347-I380 VanDerWaalsContact CZ-CG1 3.5Å; I380-F421 HydrophobicContact CG2-CE1 4.36Å; I380-F421 HydrophobicContact CG2-CE2 4.36Å; I380-F421 HydrophobicContact CG2-CZ 3.5Å; I380-F421 VanDerWaalsContact CG2-CZ 3.5Å |
| 381 | M | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.7 | 175.8 | -172.1 | 165.9 | 58.6 | 0 | 0 | 110.9 | V266 L268 V299 W343 L348 Y426 F458 | V266-M381 HydrophobicContact CB-CG 3.68Å; V266-M381 HydrophobicContact CB-SD 4.17Å; V266-M381 HydrophobicContact CG1-CG 3.77Å; V266-M381 HydrophobicContact CG1-SD 3.98Å; V266-M381 HydrophobicContact CG2-CG 3.89Å; V266-M381 HydrophobicContact CG2-SD 3.88Å; L268-M381 HydrophobicContact CD2-CB 3.75Å; L268-M381 HydrophobicContact CD2-CG 3.78Å; L268-M381 HydrophobicContact CD2-SD 3.99Å; V299-M381 HydrophobicContact CG2-SD 4.42Å; W343-M381 HydrophobicContact CH2-CE 3.17Å; W343-M381 HydrophobicContact CZ2-CE 4.14Å; W343-M381 HydrophobicContact CZ3-CE 3.68Å; L348-M381 HydrophobicContact CD2-CB 3.58Å; L348-M381 HydrophobicContact CD2-CE 3.41Å; L348-M381 VanDerWaalsContact CD2-CE 3.41Å; L348-M381 HydrophobicContact CD2-CG 4.34Å; L348-M381 HydrophobicContact CD2-SD 3.9Å; M381-Y426 PolarHBondContact O-OH 2.72Å; M381-Y426 VanDerWaalsContact O-OH 3.08Å; M381-F458 HydrophobicContact CE-CD2 3.45Å; M381-F458 VanDerWaalsContact CE-CD2 3.45Å; M381-F458 HydrophobicContact CE-CE2 3.66Å; M381-F458 HydrophobicContact SD-CD2 4.43Å; M381-F458 HydrophobicContact SD-CE2 4.41Å |
| 382 | K | 98.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 32 Ų | 32 | 24% | 0.235 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.2 | 179.4 | 179.2 | -173.4 | -179.7 | -162.6 | 0 | 109.9 | V266 V267 E291 I384 F421 Y426 | V266-K382 CarbonylContact C-O 3.51Å; V266-K382 WeakPolarHBondContact CA-O 3.47Å; V266-K382 WeakPolarHBondContact CB-O 3.39Å; V267-K382 PolarHBondContact N-O 3.01Å; V267-K382 PolarHBondContact O-N 2.89Å; E291-K382 IonicContact OE1-NZ 3Å; E291-K382 PolarHBondContact OE1-NZ 3.05Å; E291-K382 IonicContact OE2-NZ 3.04Å; E291-K382 PolarHBondContact OE2-NZ 2.88Å; K382-I384 HydrophobicContact CD-CG2 4.06Å; K382-I384 HydrophobicContact CG-CG2 4.05Å; K382-I384 PolarHBondContact O-N 2.92Å; K382-F421 HydrophobicContact CB-CD1 4.23Å; K382-F421 HydrophobicContact CB-CD2 4.26Å; K382-F421 HydrophobicContact CB-CE1 3.93Å; K382-F421 HydrophobicContact CB-CE2 3.94Å; K382-F421 HydrophobicContact CB-CG 4.36Å; K382-F421 HydrophobicContact CB-CZ 3.77Å; K382-F421 HydrophobicContact CD-CD1 3.81Å; K382-F421 HydrophobicContact CD-CE1 4.05Å; K382-F421 HydrophobicContact CD-CG 4.28Å; K382-F421 HydrophobicContact CG-CB 4.31Å; K382-F421 HydrophobicContact CG-CD1 3.72Å; K382-F421 HydrophobicContact CG-CD2 4.03Å; K382-F421 HydrophobicContact CG-CE1 3.94Å; K382-F421 HydrophobicContact CG-CE2 4.22Å; K382-F421 HydrophobicContact CG-CG 3.74Å; K382-F421 HydrophobicContact CG-CZ 4.17Å; K382-Y426 WeakPolarHBondContact CA-OH 3.37Å |
| 383 | L | 97.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 112.4 | 171.3 | 178.6 | 62.1 | 0 | 0 | 0 | 108.9 | P264 V266 N385 R386 L419 Y426 F456 F458 | P264-L383 HydrophobicContact CB-CD1 3.83Å; V266-L383 HydrophobicContact CG1-CD1 4.4Å; L383-N385 WeakPolarHBondContact CD1-OD1 3.45Å; L383-R386 HydrophobicContact CD1-CG 4.26Å; L383-R386 HydrophobicContact CD2-CB 3.7Å; L383-R386 HydrophobicContact CD2-CG 3.69Å; L383-R386 HydrophobicContact CG-CB 3.93Å; L383-R386 HydrophobicContact CG-CG 4.02Å; L383-L419 HydrophobicContact CD2-CD2 4.21Å; L383-Y426 HydrophobicContact CB-CE1 4.15Å; L383-Y426 WeakPolarHBondContact CB-OH 3.49Å; L383-Y426 PolarHBondContact N-OH 3.37Å; L383-F456 HydrophobicContact CD2-CD2 4.32Å; L383-F456 HydrophobicContact CD2-CE2 4.48Å; L383-F458 HydrophobicContact CB-CZ 4.44Å; L383-F458 HydrophobicContact CD1-CZ 4.06Å; L383-F458 HydrophobicContact CD2-CZ 4.17Å; L383-F458 HydrophobicContact CG-CZ 4.46Å |
| 384 | I | 96.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | trans | -98.1 | -29.6 | -171.3 | 61.7 | 122 | 0 | 0 | 0 | 113.4 | V176 Q265 V267 V296 K382 R386 | V176-I384 WeakPolarHBondContact CG2-O 3.13Å; Q265-I384 HydrophobicContact CB-CG1 4.32Å; Q265-I384 VanDerWaalsContact O-CG1 3.27Å; Q265-I384 WeakPolarHBondContact O-CG1 3.47Å; Q265-I384 PolarHBondContact O-N 2.88Å; V267-I384 HydrophobicContact CB-CG2 4.33Å; V267-I384 HydrophobicContact CG2-CG2 3.74Å; V296-I384 HydrophobicContact CB-CD1 4.27Å; V296-I384 HydrophobicContact CG1-CD1 3.69Å; V296-I384 HydrophobicContact CG1-CG1 4.17Å; V296-I384 HydrophobicContact CG2-CD1 3.47Å; V296-I384 VanDerWaalsContact CG2-CD1 3.47Å; V296-I384 HydrophobicContact CG2-CG1 4.18Å; K382-I384 HydrophobicContact CD-CG2 4.06Å; K382-I384 HydrophobicContact CG-CG2 4.05Å; K382-I384 PolarHBondContact O-N 2.92Å; I384-R386 VanDerWaalsContact C-N 3.27Å; I384-R386 PolarHBondContact O-N 2.73Å | ||
| 385 | N | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -93.8 | 26.2 | -175.9 | 74.6 | -26.8 | 0 | 0 | 0 | 113.5 | S262 H263 Q265 L383 | S262-N385 PolarHBondContact OG-ND2 2.99Å; H263-N385 PolarHBondContact O-ND2 3.39Å; Q265-N385 HydrophobicContact CB-CB 4.14Å; Q265-N385 PolarHBondContact N-OD1 3.2Å; L383-N385 WeakPolarHBondContact CD1-OD1 3.45Å |
| 386 | R | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | trans | -135.2 | 57.4 | 170.5 | -66.3 | -62.5 | -172.9 | -78.6 | -2.6 | 111.7 | S262 L383 I384 I388 I389 L419 Y498 | S262-R386 PolarHBondContact O-NH2 2.59Å; S262-R386 PolarHBondContact OG-NH1 3.43Å; L383-R386 HydrophobicContact CD1-CG 4.26Å; L383-R386 HydrophobicContact CD2-CB 3.7Å; L383-R386 HydrophobicContact CD2-CG 3.69Å; L383-R386 HydrophobicContact CG-CB 3.93Å; L383-R386 HydrophobicContact CG-CG 4.02Å; I384-R386 VanDerWaalsContact C-N 3.27Å; I384-R386 PolarHBondContact O-N 2.73Å; R386-I388 CarbonylContact C-O 3.6Å; R386-I388 WeakPolarHBondContact CA-O 3.38Å; R386-I388 PolarHBondContact O-N 3.34Å; R386-I389 HydrophobicContact CB-CB 4.4Å; R386-I389 HydrophobicContact CG-CD1 4.5Å; R386-I389 HydrophobicContact CG-CG1 4.49Å; R386-L419 HydrophobicContact CB-CD2 4.25Å; R386-L419 WeakPolarHBondContact O-CB 3.31Å; R386-L419 WeakPolarHBondContact O-CD2 3.11Å; R386-Y498 VanDerWaalsContact CZ-OXT 3.24Å; R386-Y498 PolarHBondContact NE-OXT 2.93Å; R386-Y498 PolarHBondContact NH2-O 2.88Å; R386-Y498 PolarHBondContact NH2-OXT 2.82Å | ||
| 387 | P | 94.6 | Very high | 95 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 25% | 0.247 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -61.7 | -27.9 | 169.7 | 28.5 | -35.3 | 0 | 0 | 0 | 111.2 | V176 M179 S194 T418 L419 | V176-P387 HydrophobicContact CG2-CG 3.65Å; M179-P387 HydrophobicContact CE-CG 4.37Å; S194-P387 WeakPolarHBondContact O-CG 3.42Å; P387-T418 WeakPolarHBondContact O-CA 3.24Å; P387-L419 PolarHBondContact O-N 2.88Å |
| 388 | I | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.4 | 160.2 | 56.3 | 175.4 | 0 | 0 | 0 | 109.4 | Q145 M179 N196 R386 Y416 F417 | Q145-I388 PolarHBondContact NE2-O 2.65Å; M179-I388 HydrophobicContact CE-CD1 4.23Å; M179-I388 HydrophobicContact CE-CG1 3.67Å; N196-I388 VanDerWaalsContact OD1-CG2 3.26Å; N196-I388 WeakPolarHBondContact OD1-CG2 3.4Å; R386-I388 CarbonylContact C-O 3.6Å; R386-I388 WeakPolarHBondContact CA-O 3.38Å; R386-I388 PolarHBondContact O-N 3.34Å; I388-Y416 HydrophobicContact CG2-CD2 4.38Å; I388-F417 CarbonylContact C-O 3.48Å; I388-F417 VanDerWaalsContact CA-O 3.24Å; I388-F417 WeakPolarHBondContact CA-O 3.33Å |
| 389 | I | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139 | -179.2 | -163.3 | 165.7 | 0 | 0 | 0 | 110.8 | R386 L391 Y416 F417 L419 L428 F456 | R386-I389 HydrophobicContact CB-CB 4.4Å; R386-I389 HydrophobicContact CG-CD1 4.5Å; R386-I389 HydrophobicContact CG-CG1 4.49Å; I389-L391 HydrophobicContact CD1-CD2 3.82Å; I389-L391 HydrophobicContact CD1-CG 4.46Å; I389-L391 HydrophobicContact CG1-CD2 4.02Å; I389-L391 HydrophobicContact CG1-CG 4.31Å; I389-Y416 WeakPolarHBondContact O-CA 3.43Å; I389-F417 HydrophobicContact CG2-CB 4.22Å; I389-F417 PolarHBondContact N-O 3.37Å; I389-F417 PolarHBondContact O-N 2.79Å; I389-L419 HydrophobicContact CG2-CD1 4.42Å; I389-L428 HydrophobicContact CG2-CD2 4.13Å; I389-F456 HydrophobicContact CD1-CE2 3.75Å; I389-F456 HydrophobicContact CD1-CZ 4.22Å |
| 390 | V | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -108 | 140.2 | 164.9 | 172.5 | 0 | 0 | 0 | 0 | 107 | H143 P144 Q145 T181 F397 Y414 Y498 | H143-V390 PolarHBondContact NE2-O 2.87Å; P144-V390 HydrophobicContact CG-CB 4.06Å; P144-V390 HydrophobicContact CG-CG1 3.82Å; P144-V390 HydrophobicContact CG-CG2 3.98Å; Q145-V390 HydrophobicContact CG-CB 4.4Å; Q145-V390 HydrophobicContact CG-CG2 4.37Å; T181-V390 HydrophobicContact CG2-CG2 4.44Å; V390-F397 HydrophobicContact CG1-CD1 3.67Å; V390-F397 HydrophobicContact CG1-CE1 3.89Å; V390-Y414 VanDerWaalsContact CG1-CB 3.45Å; V390-Y414 HydrophobicContact CG1-CD1 4.38Å; V390-Y414 HydrophobicContact CG1-CD2 4.19Å; V390-Y414 HydrophobicContact CG1-CG 3.75Å; V390-Y414 HydrophobicContact CG2-CD2 3.91Å; V390-Y414 HydrophobicContact CG2-CG 4.33Å; V390-Y498 WeakPolarHBondContact O-CA 3.25Å | ||
| 391 | L | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -122.5 | 128.9 | 179.9 | -67.6 | 173.4 | 0 | 0 | 0 | 110.5 | I389 F397 I398 L428 W436 W496 E497 | I389-L391 HydrophobicContact CD1-CD2 3.82Å; I389-L391 HydrophobicContact CD1-CG 4.46Å; I389-L391 HydrophobicContact CG1-CD2 4.02Å; I389-L391 HydrophobicContact CG1-CG 4.31Å; L391-F397 CarbonylContact O-C 3.51Å; L391-F397 WeakPolarHBondContact O-CA 3.23Å; L391-I398 HydrophobicContact CB-CB 4.34Å; L391-I398 HydrophobicContact CB-CD1 3.71Å; L391-I398 HydrophobicContact CB-CG1 4.06Å; L391-I398 HydrophobicContact CD1-CD1 3.92Å; L391-I398 HydrophobicContact CG-CD1 4.49Å; L391-I398 PolarHBondContact O-N 2.76Å; L391-L428 HydrophobicContact CD1-CD2 4.16Å; L391-W436 HydrophobicContact CD1-CH2 3.87Å; L391-W436 HydrophobicContact CD1-CZ3 4.45Å; L391-W496 HydrophobicContact CB-CB 4.47Å; L391-W496 HydrophobicContact CD2-CB 3.96Å; L391-E497 CarbonylContact C-O 3.5Å; L391-E497 WeakPolarHBondContact CA-O 3.41Å | ||
| 392 | R | 94.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.5 | 176.6 | -176.1 | 170.7 | 72.6 | 161.8 | -2.4 | 111.6 | A141 F397 W496 E497 | A141-R392 PolarHBondContact O-NH1 3.36Å; R392-F397 HydrophobicContact CB-CD1 3.64Å; R392-F397 HydrophobicContact CB-CE1 3.74Å; R392-F397 HydrophobicContact CB-CG 4.43Å; R392-F397 HydrophobicContact CG-CD1 4.05Å; R392-F397 HydrophobicContact CG-CE1 4.07Å; R392-F397 HydrophobicContact CG-CG 4.46Å; R392-F397 HydrophobicContact CG-CZ 4.45Å; R392-W496 CarbonylContact O-C 3.58Å; R392-W496 WeakPolarHBondContact O-CA 3.26Å; R392-E497 HydrophobicContact CB-CB 4.28Å; R392-E497 IonicContact CZ-OE2 3.63Å; R392-E497 PolarHBondContact N-O 3.24Å; R392-E497 IonicContact NE-OE2 2.67Å; R392-E497 PolarHBondContact NE-OE2 3.07Å; R392-E497 IonicContact NH2-OE1 3.31Å; R392-E497 IonicContact NH2-OE2 2.69Å; R392-E497 PolarHBondContact NH2-OE2 3.21Å; R392-E497 PolarHBondContact O-N 3.24Å |
| 393 | G | 92.2 | Very high | 92.9 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -170.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | H395 G396 | G393-H395 PolarHBondContact O-N 2.88Å; G393-G396 PolarHBondContact N-O 2.7Å; G393-G396 PolarHBondContact O-N 2.66Å |
| 394 | E | 86.6 | Confident | 92.5 | Very high | 116 Ų | 116 | 45.1 Ų | 45.1 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.7 | -179.8 | -174 | 179 | 169.7 | 0 | 0 | 113.6 | ||
| 395 | H | 85.6 | Confident | 92.4 | Very high | 107 Ų | 107 | 44.4 Ų | 44.4 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -1.9 | -171.2 | -58.8 | -36.3 | 0 | 0 | 0 | 114.3 | G393 N410 | G393-H395 PolarHBondContact O-N 2.88Å; H395-N410 HydrophobicContact CB-CB 4.16Å; H395-N410 WeakPolarHBondContact O-CA 3.25Å |
| 396 | G | 89.1 | Confident | 92.3 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.6 | -167.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G393 R411 | G393-G396 PolarHBondContact N-O 2.7Å; G393-G396 PolarHBondContact O-N 2.66Å; G396-R411 WeakPolarHBondContact CA-O 3.12Å |
| 397 | F | 93.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 156.7 | 177.2 | -64 | -82.9 | 0 | 0 | 0 | 111.9 | V390 L391 R392 S409 N410 R411 S412 Y414 | V390-F397 HydrophobicContact CG1-CD1 3.67Å; V390-F397 HydrophobicContact CG1-CE1 3.89Å; L391-F397 CarbonylContact O-C 3.51Å; L391-F397 WeakPolarHBondContact O-CA 3.23Å; R392-F397 HydrophobicContact CB-CD1 3.64Å; R392-F397 HydrophobicContact CB-CE1 3.74Å; R392-F397 HydrophobicContact CB-CG 4.43Å; R392-F397 HydrophobicContact CG-CD1 4.05Å; R392-F397 HydrophobicContact CG-CE1 4.07Å; R392-F397 HydrophobicContact CG-CG 4.46Å; R392-F397 HydrophobicContact CG-CZ 4.45Å; F397-S409 CarbonylContact O-C 3.51Å; F397-S409 WeakPolarHBondContact O-CA 3.33Å; F397-N410 PolarHBondContact O-N 2.68Å; F397-R411 PolarHBondContact N-O 2.91Å; F397-R411 WeakPolarHBondContact O-CB 3.44Å; F397-R411 PolarHBondContact O-N 3.21Å; F397-R411 VanDerWaalsContact O-N 3.1Å; F397-S412 WeakPolarHBondContact CD2-O 3.47Å; F397-Y414 AromaticContact CD1-CD1 3.89Å; F397-Y414 HydrophobicContact CD1-CD1 3.89Å; F397-Y414 HydrophobicContact CD1-CG 4.17Å; F397-Y414 HydrophobicContact CD2-CD1 4.01Å; F397-Y414 AromaticContact CE1-CD1 3.71Å; F397-Y414 HydrophobicContact CE1-CD1 3.71Å; F397-Y414 HydrophobicContact CE1-CG 4.32Å; F397-Y414 AromaticContact CE2-CD1 3.85Å; F397-Y414 HydrophobicContact CE2-CD1 3.85Å; F397-Y414 HydrophobicContact CG-CD1 4.02Å; F397-Y414 HydrophobicContact CG-CG 4.36Å; F397-Y414 AromaticContact CZ-CD1 3.69Å; F397-Y414 HydrophobicContact CZ-CD1 3.69Å; F397-Y414 HydrophobicContact CZ-CE1 4.27Å |
| 398 | I | 96.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132.1 | 164.2 | -58.7 | -178.2 | 0 | 0 | 0 | 109.1 | L391 L407 D408 D415 F417 W436 L483 W496 | L391-I398 HydrophobicContact CB-CB 4.34Å; L391-I398 HydrophobicContact CB-CD1 3.71Å; L391-I398 HydrophobicContact CB-CG1 4.06Å; L391-I398 HydrophobicContact CD1-CD1 3.92Å; L391-I398 HydrophobicContact CG-CD1 4.49Å; L391-I398 PolarHBondContact O-N 2.76Å; I398-L407 HydrophobicContact CG2-CB 4.28Å; I398-L407 HydrophobicContact CG2-CD2 4.34Å; I398-D408 CarbonylContact C-O 3.5Å; I398-D408 VanDerWaalsContact CA-O 3.23Å; I398-D408 WeakPolarHBondContact CA-O 3.31Å; I398-D415 PolarHBondContact O-N 2.92Å; I398-F417 HydrophobicContact CB-CE2 4.41Å; I398-F417 HydrophobicContact CG2-CE2 4.03Å; I398-F417 HydrophobicContact CG2-CZ 4.06Å; I398-W436 HydrophobicContact CD1-CH2 3.76Å; I398-W436 HydrophobicContact CG2-CH2 3.89Å; I398-W436 HydrophobicContact CG2-CZ2 3.84Å; I398-L483 HydrophobicContact CD1-CD1 4.17Å; I398-L483 HydrophobicContact CD1-CD2 3.9Å; I398-L483 HydrophobicContact CG2-CD2 4.3Å; I398-W496 HydrophobicContact CD1-CD2 4.1Å; I398-W496 HydrophobicContact CD1-CE3 3.61Å; I398-W496 HydrophobicContact CD1-CH2 3.96Å; I398-W496 HydrophobicContact CD1-CZ2 4.39Å; I398-W496 HydrophobicContact CD1-CZ3 3.55Å; I398-W496 HydrophobicContact CG1-CE3 3.89Å; I398-W496 HydrophobicContact CG1-CH2 4.18Å; I398-W496 HydrophobicContact CG1-CZ3 3.52Å |
| 399 | G | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 152.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L407 D408 D415 | G399-L407 WeakPolarHBondContact O-CA 3.42Å; G399-D408 PolarHBondContact N-O 2.89Å; G399-D408 PolarHBondContact O-N 2.88Å; G399-D415 VanDerWaalsContact CA-OD2 3.31Å; G399-D415 WeakPolarHBondContact CA-OD2 3.3Å |
| 400 | C | 94.6 | Very high | 92.2 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 10% | 0.101 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.9 | -175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | K402 L407 D415 | C400-K402 PolarHBondContact O-N 3.09Å; C400-L407 HydrophobicContact CB-CD2 3.79Å; C400-D415 PolarHBondContact N-OD2 2.67Å |
| 401 | R | 91.9 | Very high | 91.9 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | trans | -78.9 | 108.5 | 166.9 | -63.1 | -171.5 | -169.1 | 177.9 | 7.3 | 109.1 | V403 T404 G405 T406 D408 | R401-V403 PolarHBondContact O-N 3.38Å; R401-T404 WeakPolarHBondContact CB-OG1 3.37Å; R401-T404 PolarHBondContact O-N 3.32Å; R401-T404 VanDerWaalsContact O-N 3.12Å; R401-G405 PolarHBondContact O-N 2.73Å; R401-T406 PolarHBondContact N-O 3.15Å; R401-D408 WeakPolarHBondContact CG-OD2 3.49Å; R401-D408 IonicContact CZ-OD1 3.69Å; R401-D408 IonicContact CZ-OD2 3.11Å; R401-D408 IonicContact NE-OD1 2.87Å; R401-D408 PolarHBondContact NE-OD1 2.85Å; R401-D408 IonicContact NE-OD2 3.19Å; R401-D408 PolarHBondContact NE-OD2 3.43Å; R401-D408 IonicContact NH2-OD1 3.27Å; R401-D408 PolarHBondContact NH2-OD1 2.88Å; R401-D408 IonicContact NH2-OD2 2.72Å; R401-D408 PolarHBondContact NH2-OD2 2.96Å | ||
| 402 | K | 80.9 | Confident | 91.1 | Very high | 208 Ų | 208 | 52.7 Ų | 52.7 | 90% | 0.904 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.7 | -31.3 | -174.7 | -65 | -172 | 176.9 | -174.4 | 0 | 116.3 | C400 | C400-K402 PolarHBondContact O-N 3.09Š|
| 403 | V | 86.1 | Confident | 90.7 | Very high | 145 Ų | 145 | 52.3 Ų | 52.3 | 88% | 0.879 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -40.8 | -176.6 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | R401 | R401-V403 PolarHBondContact O-N 3.38Š|
| 404 | T | 89.4 | Confident | 90.6 | Very high | 81 Ų | 81 | 52.5 Ų | 52.5 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -12.5 | -170.9 | 61.1 | 0 | 0 | 0 | 0 | 113.4 | R401 T406 | R401-T404 WeakPolarHBondContact CB-OG1 3.37Å; R401-T404 PolarHBondContact O-N 3.32Å; R401-T404 VanDerWaalsContact O-N 3.12Å; T404-T406 WeakPolarHBondContact CB-OG1 3.22Å; T404-T406 PolarHBondContact O-N 3.2Å; T404-T406 WeakPolarHBondContact OG1-CB 3.43Å; T404-T406 PolarHBondContact OG1-N 2.93Å; T404-T406 PolarHBondContact OG1-OG1 3.12Å |
| 405 | G | 93.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | trans | 69.9 | 1.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R401 L407 V445 S446 | R401-G405 PolarHBondContact O-N 2.73Å; G405-L407 PolarHBondContact O-N 3.4Å; G405-V445 CarbonylContact O-C 3.57Å; G405-V445 WeakPolarHBondContact O-CA 3.35Å; G405-S446 WeakPolarHBondContact CA-O 3.4Å; G405-S446 PolarHBondContact O-N 3.12Å | ||
| 406 | T | 95.9 | Very high | 91.2 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 130.8 | -178.1 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | R401 T404 V482 | R401-T406 PolarHBondContact N-O 3.15Å; T404-T406 WeakPolarHBondContact CB-OG1 3.22Å; T404-T406 PolarHBondContact O-N 3.2Å; T404-T406 WeakPolarHBondContact OG1-CB 3.43Å; T404-T406 PolarHBondContact OG1-N 2.93Å; T404-T406 PolarHBondContact OG1-OG1 3.12Å; T406-V482 HydrophobicContact CG2-CG1 4.11Å |
| 407 | L | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.4 | 175.6 | -61.1 | 173.6 | 0 | 0 | 0 | 109.9 | I398 G399 C400 G405 F417 W436 V444 L483 | I398-L407 HydrophobicContact CG2-CB 4.28Å; I398-L407 HydrophobicContact CG2-CD2 4.34Å; G399-L407 WeakPolarHBondContact O-CA 3.42Å; C400-L407 HydrophobicContact CB-CD2 3.79Å; G405-L407 PolarHBondContact O-N 3.4Å; L407-F417 HydrophobicContact CD2-CE1 4.09Å; L407-F417 HydrophobicContact CD2-CZ 4.08Å; L407-W436 HydrophobicContact CD1-CD2 3.45Å; L407-W436 VanDerWaalsContact CD1-CD2 3.45Å; L407-W436 HydrophobicContact CD1-CE3 3.92Å; L407-W436 HydrophobicContact CD1-CG 3.85Å; L407-W436 HydrophobicContact CD1-CH2 4.13Å; L407-W436 HydrophobicContact CD1-CZ2 3.69Å; L407-W436 HydrophobicContact CD1-CZ3 4.24Å; L407-W436 HydrophobicContact CD2-CZ2 4.4Å; L407-V444 HydrophobicContact CD1-CB 4.26Å; L407-V444 HydrophobicContact CD1-CG1 3.76Å; L407-V444 PolarHBondContact N-O 3.31Å; L407-L483 HydrophobicContact CB-CB 3.94Å; L407-L483 HydrophobicContact CB-CD2 3.99Å; L407-L483 HydrophobicContact CD1-CD2 3.89Å; L407-L483 WeakPolarHBondContact O-CB 3.43Å; L407-L483 PolarHBondContact O-N 3.02Å |
| 408 | D | 95.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.3 | 171.7 | -63.9 | -53.9 | 0 | 0 | 0 | 109.2 | I398 G399 R401 R411 G481 | I398-D408 CarbonylContact C-O 3.5Å; I398-D408 VanDerWaalsContact CA-O 3.23Å; I398-D408 WeakPolarHBondContact CA-O 3.31Å; G399-D408 PolarHBondContact N-O 2.89Å; G399-D408 PolarHBondContact O-N 2.88Å; R401-D408 WeakPolarHBondContact CG-OD2 3.49Å; R401-D408 IonicContact CZ-OD1 3.69Å; R401-D408 IonicContact CZ-OD2 3.11Å; R401-D408 IonicContact NE-OD1 2.87Å; R401-D408 PolarHBondContact NE-OD1 2.85Å; R401-D408 IonicContact NE-OD2 3.19Å; R401-D408 PolarHBondContact NE-OD2 3.43Å; R401-D408 IonicContact NH2-OD1 3.27Å; R401-D408 PolarHBondContact NH2-OD1 2.88Å; R401-D408 IonicContact NH2-OD2 2.72Å; R401-D408 PolarHBondContact NH2-OD2 2.96Å; D408-R411 HydrophobicContact CB-CG 3.85Å; D408-G481 CarbonylContact C-O 3.54Å; D408-G481 VanDerWaalsContact CA-O 3.23Å; D408-G481 WeakPolarHBondContact CA-O 3.36Å |
| 409 | S | 94.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 22 | -180 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | F397 G477 G481 W496 | F397-S409 CarbonylContact O-C 3.51Å; F397-S409 WeakPolarHBondContact O-CA 3.33Å; S409-G477 WeakPolarHBondContact OG-CA 3.31Å; S409-G481 PolarHBondContact N-O 2.99Å; S409-G481 PolarHBondContact OG-O 3.17Å; S409-W496 VanDerWaalsContact CB-CH2 3.49Å |
| 410 | N | 90.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 22.1 | -178.6 | 66.4 | 2.8 | 0 | 0 | 0 | 112.4 | H395 F397 A480 | H395-N410 HydrophobicContact CB-CB 4.16Å; H395-N410 WeakPolarHBondContact O-CA 3.25Å; F397-N410 PolarHBondContact O-N 2.68Å; N410-A480 PolarHBondContact ND2-O 2.92Å; N410-A480 VanDerWaalsContact ND2-O 3.14Å |
| 411 | R | 88.9 | Confident | 91.9 | Very high | 105 Ų | 105 | 54 Ų | 54 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 142.2 | -173 | -56 | -80.2 | -84.9 | 168.9 | -5.9 | 109.7 | G396 F397 D408 S413 | G396-R411 WeakPolarHBondContact CA-O 3.12Å; F397-R411 PolarHBondContact N-O 2.91Å; F397-R411 WeakPolarHBondContact O-CB 3.44Å; F397-R411 PolarHBondContact O-N 3.21Å; F397-R411 VanDerWaalsContact O-N 3.1Å; D408-R411 HydrophobicContact CB-CG 3.85Å; R411-S413 WeakPolarHBondContact CB-O 3.32Å |
| 412 | S | 81.2 | Confident | 92.1 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -76.7 | -33.5 | 172.2 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | M44 H139 F397 | M44-S412 VanDerWaalsContact N-CB 3.32Å; H139-S412 PolarHBondContact CE1-O 2.81Å; F397-S412 WeakPolarHBondContact CD2-O 3.47Å |
| 413 | S | 85.1 | Confident | 92.8 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -102.2 | 138.8 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | R411 | R411-S413 WeakPolarHBondContact CB-O 3.32Š|
| 414 | Y | 89.1 | Confident | 93.3 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 7% | 0.071 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -86.1 | 147.3 | 176.3 | 40.6 | -86.9 | 0 | 0 | 0 | 111.2 | P144 L182 F184 V390 F397 | P144-Y414 HydrophobicContact CB-CE1 3.9Å; P144-Y414 HydrophobicContact CB-CE2 4Å; P144-Y414 HydrophobicContact CG-CD1 3.94Å; P144-Y414 HydrophobicContact CG-CD2 4.06Å; P144-Y414 HydrophobicContact CG-CE1 3.74Å; P144-Y414 HydrophobicContact CG-CE2 3.87Å; P144-Y414 HydrophobicContact CG-CG 4.12Å; L182-Y414 PolarHBondContact O-OH 2.9Å; F184-Y414 PolarHBondContact N-OH 2.92Å; F184-Y414 VanDerWaalsContact N-OH 3.14Å; V390-Y414 VanDerWaalsContact CG1-CB 3.45Å; V390-Y414 HydrophobicContact CG1-CD1 4.38Å; V390-Y414 HydrophobicContact CG1-CD2 4.19Å; V390-Y414 HydrophobicContact CG1-CG 3.75Å; V390-Y414 HydrophobicContact CG2-CD2 3.91Å; V390-Y414 HydrophobicContact CG2-CG 4.33Å; F397-Y414 AromaticContact CD1-CD1 3.89Å; F397-Y414 HydrophobicContact CD1-CD1 3.89Å; F397-Y414 HydrophobicContact CD1-CG 4.17Å; F397-Y414 HydrophobicContact CD2-CD1 4.01Å; F397-Y414 AromaticContact CE1-CD1 3.71Å; F397-Y414 HydrophobicContact CE1-CD1 3.71Å; F397-Y414 HydrophobicContact CE1-CG 4.32Å; F397-Y414 AromaticContact CE2-CD1 3.85Å; F397-Y414 HydrophobicContact CE2-CD1 3.85Å; F397-Y414 HydrophobicContact CG-CD1 4.02Å; F397-Y414 HydrophobicContact CG-CG 4.36Å; F397-Y414 AromaticContact CZ-CD1 3.69Å; F397-Y414 HydrophobicContact CZ-CD1 3.69Å; F397-Y414 HydrophobicContact CZ-CE1 4.27Å |
| 415 | D | 92.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 34% | 0.337 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -94.1 | 159.1 | 148.7 | -66.3 | -44.7 | 0 | 0 | 0 | 108.5 | I398 G399 C400 F417 | I398-D415 PolarHBondContact O-N 2.92Å; G399-D415 VanDerWaalsContact CA-OD2 3.31Å; G399-D415 WeakPolarHBondContact CA-OD2 3.3Å; C400-D415 PolarHBondContact N-OD2 2.67Å; D415-F417 HydrophobicContact CB-CE2 4.35Å; D415-F417 HydrophobicContact CB-CZ 3.99Å |
| 416 | Y | 92.3 | Very high | 93.9 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | trans | -111.4 | 150.2 | 170.6 | 55.2 | -94.4 | 0 | 0 | 0 | 109.3 | V183 R185 I388 I389 | V183-Y416 HydrophobicContact CG1-CE1 4.41Å; V183-Y416 HydrophobicContact CG2-CD1 4.42Å; V183-Y416 HydrophobicContact CG2-CE1 4.26Å; R185-Y416 PolarHBondContact NH2-OH 3.45Å; I388-Y416 HydrophobicContact CG2-CD2 4.38Å; I389-Y416 WeakPolarHBondContact O-CA 3.43Å | ||
| 417 | F | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.5 | -175.9 | -55.3 | -82 | 0 | 0 | 0 | 109.5 | I388 I389 I398 L407 D415 L428 Q429 D430 W436 | I388-F417 CarbonylContact C-O 3.48Å; I388-F417 VanDerWaalsContact CA-O 3.24Å; I388-F417 WeakPolarHBondContact CA-O 3.33Å; I389-F417 HydrophobicContact CG2-CB 4.22Å; I389-F417 PolarHBondContact N-O 3.37Å; I389-F417 PolarHBondContact O-N 2.79Å; I398-F417 HydrophobicContact CB-CE2 4.41Å; I398-F417 HydrophobicContact CG2-CE2 4.03Å; I398-F417 HydrophobicContact CG2-CZ 4.06Å; L407-F417 HydrophobicContact CD2-CE1 4.09Å; L407-F417 HydrophobicContact CD2-CZ 4.08Å; D415-F417 HydrophobicContact CB-CE2 4.35Å; D415-F417 HydrophobicContact CB-CZ 3.99Å; F417-L428 HydrophobicContact CB-CB 4.33Å; F417-L428 HydrophobicContact CB-CD2 4.39Å; F417-Q429 CarbonylContact C-O 3.48Å; F417-Q429 VanDerWaalsContact CA-O 3.29Å; F417-Q429 WeakPolarHBondContact CA-O 3.41Å; F417-D430 HydrophobicContact CD1-CB 4.15Å; F417-D430 HydrophobicContact CE1-CB 4.23Å; F417-W436 AromaticContact CD1-CE2 3.89Å; F417-W436 HydrophobicContact CD1-CZ2 4.04Å; F417-W436 AromaticContact CD1-NE1 3.19Å; F417-W436 AromaticContact CD2-CZ2 3.77Å; F417-W436 HydrophobicContact CD2-CZ2 3.77Å; F417-W436 AromaticContact CE1-CE2 3.9Å; F417-W436 AromaticContact CE1-CZ2 3.9Å; F417-W436 HydrophobicContact CE1-CZ2 3.9Å; F417-W436 AromaticContact CE1-NE1 3.26Å; F417-W436 VanDerWaalsContact CE1-NE1 3.26Å; F417-W436 AromaticContact CE2-CZ2 3.64Å; F417-W436 HydrophobicContact CE2-CZ2 3.64Å; F417-W436 AromaticContact CG-CZ2 3.98Å; F417-W436 HydrophobicContact CG-CZ2 3.98Å; F417-W436 AromaticContact CG-NE1 3.85Å; F417-W436 AromaticContact CZ-CZ2 3.7Å; F417-W436 HydrophobicContact CZ-CZ2 3.7Å; F417-W436 AromaticContact CZ-NE1 3.98Å |
| 418 | T | 96 | Very high | 94.1 | Very high | 43 Ų | 43 | 36.2 Ų | 36.2 | 26% | 0.264 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 130.6 | 170.1 | -66 | 0 | 0 | 0 | 0 | 108.6 | P387 L428 Q429 | P387-T418 WeakPolarHBondContact O-CA 3.24Å; T418-L428 WeakPolarHBondContact O-CA 3.32Å; T418-Q429 PolarHBondContact N-O 3.37Å; T418-Q429 PolarHBondContact O-N 2.88Å |
| 419 | L | 97 | Very high | 94.1 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.4 | -177.9 | -165.6 | 69 | 0 | 0 | 0 | 109.4 | L383 R386 P387 I389 Y426 L428 F456 | L383-L419 HydrophobicContact CD2-CD2 4.21Å; R386-L419 HydrophobicContact CB-CD2 4.25Å; R386-L419 WeakPolarHBondContact O-CB 3.31Å; R386-L419 WeakPolarHBondContact O-CD2 3.11Å; P387-L419 PolarHBondContact O-N 2.88Å; I389-L419 HydrophobicContact CG2-CD1 4.42Å; L419-Y426 HydrophobicContact CD1-CD1 3.94Å; L419-Y426 HydrophobicContact CD1-CG 4.1Å; L419-Y426 HydrophobicContact CD2-CD1 3.61Å; L419-Y426 HydrophobicContact CD2-CE1 3.88Å; L419-Y426 HydrophobicContact CD2-CG 4.38Å; L419-Y426 HydrophobicContact CG-CD1 3.61Å; L419-Y426 HydrophobicContact CG-CE1 4.34Å; L419-Y426 HydrophobicContact CG-CG 4.28Å; L419-L428 HydrophobicContact CD1-CD1 4.34Å; L419-L428 HydrophobicContact CD1-CD2 4.39Å; L419-L428 HydrophobicContact CD1-CG 3.85Å; L419-F456 HydrophobicContact CD1-CE2 3.9Å; L419-F456 HydrophobicContact CD1-CZ 3.71Å; L419-F456 HydrophobicContact CD2-CE2 3.86Å |
| 420 | E | 97.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 28% | 0.28 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.4 | 175.5 | -71.2 | -178.4 | -161.5 | 0 | 0 | 110 | Y426 S427 Y435 | E420-Y426 CarbonylContact O-C 3.35Å; E420-Y426 VanDerWaalsContact O-CA 3.25Å; E420-Y426 WeakPolarHBondContact O-CA 3.45Å; E420-S427 PolarHBondContact N-O 2.93Å; E420-S427 PolarHBondContact O-N 3.49Å; E420-Y435 VanDerWaalsContact CD-OH 3.23Å; E420-Y435 PolarHBondContact OE1-OH 2.66Å; E420-Y435 PolarHBondContact OE2-OH 3.37Å; E420-Y435 VanDerWaalsContact OE2-OH 3.12Å |
| 421 | F | 97.9 | Very high | 94.1 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 132.8 | 177.4 | 176.7 | -102.2 | 0 | 0 | 0 | 111.4 | I380 K382 A425 Y426 | I380-F421 HydrophobicContact CG2-CE1 4.36Å; I380-F421 HydrophobicContact CG2-CE2 4.36Å; I380-F421 HydrophobicContact CG2-CZ 3.5Å; I380-F421 VanDerWaalsContact CG2-CZ 3.5Å; K382-F421 HydrophobicContact CB-CD1 4.23Å; K382-F421 HydrophobicContact CB-CD2 4.26Å; K382-F421 HydrophobicContact CB-CE1 3.93Å; K382-F421 HydrophobicContact CB-CE2 3.94Å; K382-F421 HydrophobicContact CB-CG 4.36Å; K382-F421 HydrophobicContact CB-CZ 3.77Å; K382-F421 HydrophobicContact CD-CD1 3.81Å; K382-F421 HydrophobicContact CD-CE1 4.05Å; K382-F421 HydrophobicContact CD-CG 4.28Å; K382-F421 HydrophobicContact CG-CB 4.31Å; K382-F421 HydrophobicContact CG-CD1 3.72Å; K382-F421 HydrophobicContact CG-CD2 4.03Å; K382-F421 HydrophobicContact CG-CE1 3.94Å; K382-F421 HydrophobicContact CG-CE2 4.22Å; K382-F421 HydrophobicContact CG-CG 3.74Å; K382-F421 HydrophobicContact CG-CZ 4.17Å; F421-A425 WeakPolarHBondContact CD2-O 3.36Å; F421-Y426 HydrophobicContact CB-CD1 4.21Å; F421-Y426 HydrophobicContact CB-CE1 4.08Å; F421-Y426 HydrophobicContact CD2-CD1 4.01Å; F421-Y426 AromaticContact CD2-CE1 3.5Å; F421-Y426 HydrophobicContact CD2-CE1 3.5Å; F421-Y426 HydrophobicContact CD2-CE2 4.29Å; F421-Y426 AromaticContact CD2-CZ 3.63Å; F421-Y426 HydrophobicContact CE2-CE1 4.4Å; F421-Y426 HydrophobicContact CG-CE1 4.25Å |
| 422 | R | 96.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 41 Ų | 41 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 111.4 | 173.3 | -174.9 | -176.3 | -62.2 | 146.9 | 5.1 | 110.8 | G424 A425 | R422-G424 VanDerWaalsContact C-N 3.31Å; R422-G424 PolarHBondContact O-N 2.71Å; R422-A425 PolarHBondContact N-O 2.79Å; R422-A425 PolarHBondContact O-N 3.11Å |
| 423 | D | 95.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 47.3 | 169.7 | -176.9 | 34.7 | 0 | 0 | 0 | 113.4 | K346 R347 A425 | K346-D423 WeakPolarHBondContact CB-O 3.17Å; K346-D423 WeakPolarHBondContact CD-O 3.21Å; R347-D423 IonicContact CZ-OD1 2.66Å; R347-D423 PolarHBondContact NH1-O 3.22Å; R347-D423 VanDerWaalsContact NH1-O 3.15Å; R347-D423 IonicContact NH1-OD1 2.67Å; R347-D423 PolarHBondContact NH1-OD1 3.27Å; R347-D423 IonicContact NH1-OD2 3.8Å; R347-D423 IonicContact NH2-OD1 3.23Å; R347-D423 PolarHBondContact NH2-OD1 3.09Å; R347-D423 IonicContact NH2-OD2 2.7Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 2.8Å |
| 424 | G | 96.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -0.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | K346 R422 | K346-G424 WeakPolarHBondContact O-CA 3.46Å; R422-G424 VanDerWaalsContact C-N 3.31Å; R422-G424 PolarHBondContact O-N 2.71Å |
| 425 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 167.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K346 F421 R422 D423 D453 L455 | K346-A425 HydrophobicContact CG-CB 4.4Å; F421-A425 WeakPolarHBondContact CD2-O 3.36Å; R422-A425 PolarHBondContact N-O 2.79Å; R422-A425 PolarHBondContact O-N 3.11Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 2.8Å; A425-D453 HydrophobicContact CB-CB 3.79Å; A425-L455 HydrophobicContact CB-CD2 3.98Å |
| 426 | Y | 98.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 39 Ų | 39 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.2 | 178.4 | -60 | -88.3 | 0 | 0 | 0 | 111.3 | M381 K382 L383 L419 E420 F421 F454 F456 | M381-Y426 PolarHBondContact O-OH 2.72Å; M381-Y426 VanDerWaalsContact O-OH 3.08Å; K382-Y426 WeakPolarHBondContact CA-OH 3.37Å; L383-Y426 HydrophobicContact CB-CE1 4.15Å; L383-Y426 WeakPolarHBondContact CB-OH 3.49Å; L383-Y426 PolarHBondContact N-OH 3.37Å; L419-Y426 HydrophobicContact CD1-CD1 3.94Å; L419-Y426 HydrophobicContact CD1-CG 4.1Å; L419-Y426 HydrophobicContact CD2-CD1 3.61Å; L419-Y426 HydrophobicContact CD2-CE1 3.88Å; L419-Y426 HydrophobicContact CD2-CG 4.38Å; L419-Y426 HydrophobicContact CG-CD1 3.61Å; L419-Y426 HydrophobicContact CG-CE1 4.34Å; L419-Y426 HydrophobicContact CG-CG 4.28Å; E420-Y426 CarbonylContact O-C 3.35Å; E420-Y426 VanDerWaalsContact O-CA 3.25Å; E420-Y426 WeakPolarHBondContact O-CA 3.45Å; F421-Y426 HydrophobicContact CB-CD1 4.21Å; F421-Y426 HydrophobicContact CB-CE1 4.08Å; F421-Y426 HydrophobicContact CD2-CD1 4.01Å; F421-Y426 AromaticContact CD2-CE1 3.5Å; F421-Y426 HydrophobicContact CD2-CE1 3.5Å; F421-Y426 HydrophobicContact CD2-CE2 4.29Å; F421-Y426 AromaticContact CD2-CZ 3.63Å; F421-Y426 HydrophobicContact CE2-CE1 4.4Å; F421-Y426 HydrophobicContact CG-CE1 4.25Å; Y426-F454 PolarHBondContact N-O 2.91Å; Y426-F454 PolarHBondContact O-N 2.88Å; Y426-F456 HydrophobicContact CD2-CB 4.04Å; Y426-F456 HydrophobicContact CD2-CD1 4.1Å; Y426-F456 AromaticContact CD2-CD2 3.94Å; Y426-F456 HydrophobicContact CD2-CD2 3.94Å; Y426-F456 HydrophobicContact CD2-CE2 4.46Å; Y426-F456 AromaticContact CD2-CG 3.75Å; Y426-F456 HydrophobicContact CD2-CG 3.75Å; Y426-F456 HydrophobicContact CE2-CB 3.92Å; Y426-F456 HydrophobicContact CE2-CD2 4.08Å; Y426-F456 HydrophobicContact CE2-CG 4.03Å; Y426-F456 HydrophobicContact CG-CD2 4.32Å; Y426-F456 HydrophobicContact CG-CE2 4.41Å; Y426-F456 HydrophobicContact CG-CG 4.45Å |
| 427 | S | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.1 | 164.4 | -61 | 0 | 0 | 0 | 0 | 109.3 | E420 P451 V452 | E420-S427 PolarHBondContact N-O 2.93Å; E420-S427 PolarHBondContact O-N 3.49Å; S427-P451 VanDerWaalsContact OG-CB 3.24Å; S427-P451 WeakPolarHBondContact OG-CB 3.36Å; S427-V452 WeakPolarHBondContact CA-O 3.44Å; S427-V452 WeakPolarHBondContact CB-O 3.38Å; S427-V452 PolarHBondContact OG-N 3.45Å; S427-V452 PolarHBondContact OG-O 3.47Å |
| 428 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.7 | -179.3 | -64.2 | 90.1 | 0 | 0 | 0 | 108.9 | I389 L391 F417 T418 L419 Y435 W436 F454 F456 | I389-L428 HydrophobicContact CG2-CD2 4.13Å; L391-L428 HydrophobicContact CD1-CD2 4.16Å; F417-L428 HydrophobicContact CB-CB 4.33Å; F417-L428 HydrophobicContact CB-CD2 4.39Å; T418-L428 WeakPolarHBondContact O-CA 3.32Å; L419-L428 HydrophobicContact CD1-CD1 4.34Å; L419-L428 HydrophobicContact CD1-CD2 4.39Å; L419-L428 HydrophobicContact CD1-CG 3.85Å; L428-Y435 CarbonylContact O-C 3.39Å; L428-Y435 VanDerWaalsContact O-CA 3.27Å; L428-Y435 WeakPolarHBondContact O-CA 3.49Å; L428-W436 HydrophobicContact CB-CB 4.25Å; L428-W436 HydrophobicContact CB-CD2 3.74Å; L428-W436 HydrophobicContact CB-CE3 4.29Å; L428-W436 HydrophobicContact CB-CG 3.72Å; L428-W436 HydrophobicContact CD1-CD2 4.46Å; L428-W436 HydrophobicContact CD1-CE3 4.16Å; L428-W436 HydrophobicContact CD2-CD2 4.13Å; L428-W436 HydrophobicContact CD2-CE3 4.05Å; L428-W436 HydrophobicContact CD2-CH2 3.89Å; L428-W436 HydrophobicContact CD2-CZ2 3.97Å; L428-W436 HydrophobicContact CD2-CZ3 3.93Å; L428-W436 HydrophobicContact CG-CD2 4.33Å; L428-W436 HydrophobicContact CG-CE3 4.4Å; L428-W436 PolarHBondContact O-N 3.24Å; L428-F454 HydrophobicContact CD1-CB 4.28Å; L428-F454 HydrophobicContact CD1-CD2 3.84Å; L428-F454 HydrophobicContact CD1-CG 4.21Å; L428-F456 HydrophobicContact CD1-CE1 4.31Å; L428-F456 HydrophobicContact CD1-CZ 4.38Å; L428-F456 HydrophobicContact CD2-CZ 4.45Å |
| 429 | Q | 96.9 | Very high | 96.3 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.8 | -179.7 | -165.3 | -176.8 | 53.6 | 0 | 0 | 110.3 | F417 T418 G433 K434 Y435 | F417-Q429 CarbonylContact C-O 3.48Å; F417-Q429 VanDerWaalsContact CA-O 3.29Å; F417-Q429 WeakPolarHBondContact CA-O 3.41Å; T418-Q429 PolarHBondContact N-O 3.37Å; T418-Q429 PolarHBondContact O-N 2.88Å; Q429-G433 WeakPolarHBondContact CG-O 3.5Å; Q429-G433 PolarHBondContact NE2-O 3.43Å; Q429-K434 CarbonylContact C-O 3.43Å; Q429-K434 VanDerWaalsContact CA-O 3.31Å; Q429-K434 WeakPolarHBondContact CA-O 3.39Å; Q429-Y435 HydrophobicContact CB-CD1 3.82Å; Q429-Y435 HydrophobicContact CB-CE1 3.76Å; Q429-Y435 HydrophobicContact CG-CD1 4.17Å; Q429-Y435 HydrophobicContact CG-CE1 4.06Å; Q429-Y435 HydrophobicContact CG-CG 4.48Å; Q429-Y435 VanDerWaalsContact NE2-CZ 3.34Å; Q429-Y435 PolarHBondContact NE2-OH 2.9Å |
| 430 | D | 94.8 | Very high | 95.9 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | trans | -79.8 | 173.8 | 172.9 | 71.9 | 25.2 | 0 | 0 | 0 | 112.7 | F417 T432 G433 K434 S446 | F417-D430 HydrophobicContact CD1-CB 4.15Å; F417-D430 HydrophobicContact CE1-CB 4.23Å; D430-T432 PolarHBondContact O-N 2.8Å; D430-T432 VanDerWaalsContact OD1-CA 3.31Å; D430-T432 WeakPolarHBondContact OD1-CA 3.26Å; D430-T432 WeakPolarHBondContact OD1-CB 3.44Å; D430-T432 PolarHBondContact OD1-N 2.88Å; D430-T432 PolarHBondContact OD1-OG1 2.94Å; D430-T432 PolarHBondContact OD2-OG1 2.89Å; D430-G433 PolarHBondContact O-N 3.31Å; D430-G433 PolarHBondContact OD1-N 2.71Å; D430-K434 PolarHBondContact N-O 2.74Å; D430-K434 PolarHBondContact OD1-N 3.34Å; D430-S446 WeakPolarHBondContact CB-OG 3.33Å; D430-S446 VanDerWaalsContact OD2-CB 3.3Å; D430-S446 WeakPolarHBondContact OD2-CB 3.37Å; D430-S446 PolarHBondContact OD2-OG 2.91Å | ||
| 431 | S | 90.3 | Very high | 95.6 | Very high | 108 Ų | 108 | 51.5 Ų | 51.5 | 76% | 0.755 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -11.7 | 178.7 | 63.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 432 | T | 92.1 | Very high | 95.5 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -3.9 | 176.6 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | D430 | D430-T432 PolarHBondContact O-N 2.8Å; D430-T432 VanDerWaalsContact OD1-CA 3.31Å; D430-T432 WeakPolarHBondContact OD1-CA 3.26Å; D430-T432 WeakPolarHBondContact OD1-CB 3.44Å; D430-T432 PolarHBondContact OD1-N 2.88Å; D430-T432 PolarHBondContact OD1-OG1 2.94Å; D430-T432 PolarHBondContact OD2-OG1 2.89Å |
| 433 | G | 93.4 | Very high | 95.5 | Very high | 29 Ų | 29 | 47 Ų | 47 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 89.1 | 5.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q429 D430 | Q429-G433 WeakPolarHBondContact CG-O 3.5Å; Q429-G433 PolarHBondContact NE2-O 3.43Å; D430-G433 PolarHBondContact O-N 3.31Å; D430-G433 PolarHBondContact OD1-N 2.71Å |
| 434 | K | 97 | Very high | 95.7 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 27% | 0.265 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -87.2 | 136.1 | 178.4 | -64.7 | -59.8 | -172 | 173.2 | 0 | 110.9 | Q429 D430 S446 S448 D449 | Q429-K434 CarbonylContact C-O 3.43Å; Q429-K434 VanDerWaalsContact CA-O 3.31Å; Q429-K434 WeakPolarHBondContact CA-O 3.39Å; D430-K434 PolarHBondContact N-O 2.74Å; D430-K434 PolarHBondContact OD1-N 3.34Å; K434-S446 PolarHBondContact O-OG 2.91Å; K434-S446 VanDerWaalsContact O-OG 3.1Å; K434-S448 WeakPolarHBondContact CA-O 3.5Å; K434-D449 IonicContact NZ-OD1 3.28Å; K434-D449 PolarHBondContact NZ-OD1 2.76Å; K434-D449 IonicContact NZ-OD2 2.89Å; K434-D449 PolarHBondContact NZ-OD2 2.76Å |
| 435 | Y | 98.3 | Very high | 95.7 | Very high | 23 Ų | 23 | 44 Ų | 44 | 9% | 0.09 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 147.7 | 175.9 | -65.6 | -82.7 | 0 | 0 | 0 | 111.3 | E420 L428 Q429 S447 S448 P451 | E420-Y435 VanDerWaalsContact CD-OH 3.23Å; E420-Y435 PolarHBondContact OE1-OH 2.66Å; E420-Y435 PolarHBondContact OE2-OH 3.37Å; E420-Y435 VanDerWaalsContact OE2-OH 3.12Å; L428-Y435 CarbonylContact O-C 3.39Å; L428-Y435 VanDerWaalsContact O-CA 3.27Å; L428-Y435 WeakPolarHBondContact O-CA 3.49Å; Q429-Y435 HydrophobicContact CB-CD1 3.82Å; Q429-Y435 HydrophobicContact CB-CE1 3.76Å; Q429-Y435 HydrophobicContact CG-CD1 4.17Å; Q429-Y435 HydrophobicContact CG-CE1 4.06Å; Q429-Y435 HydrophobicContact CG-CG 4.48Å; Q429-Y435 VanDerWaalsContact NE2-CZ 3.34Å; Q429-Y435 PolarHBondContact NE2-OH 2.9Å; Y435-S447 PolarHBondContact O-N 2.95Å; Y435-S447 VanDerWaalsContact O-N 3.08Å; Y435-S448 PolarHBondContact N-O 2.98Å; Y435-S448 WeakPolarHBondContact O-CB 3.4Å; Y435-S448 PolarHBondContact O-N 3.18Å; Y435-P451 HydrophobicContact CD1-CB 4.31Å; Y435-P451 HydrophobicContact CD1-CG 4.45Å; Y435-P451 HydrophobicContact CD2-CG 4.32Å; Y435-P451 HydrophobicContact CE1-CB 4.23Å; Y435-P451 HydrophobicContact CE1-CG 4.02Å; Y435-P451 HydrophobicContact CE2-CG 3.88Å |
| 436 | W | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 141.6 | 165.3 | -73.4 | 26.7 | 0 | 0 | 0 | 110.1 | L391 I398 L407 F417 L428 V444 V445 V452 F454 L475 L483 | L391-W436 HydrophobicContact CD1-CH2 3.87Å; L391-W436 HydrophobicContact CD1-CZ3 4.45Å; I398-W436 HydrophobicContact CD1-CH2 3.76Å; I398-W436 HydrophobicContact CG2-CH2 3.89Å; I398-W436 HydrophobicContact CG2-CZ2 3.84Å; L407-W436 HydrophobicContact CD1-CD2 3.45Å; L407-W436 VanDerWaalsContact CD1-CD2 3.45Å; L407-W436 HydrophobicContact CD1-CE3 3.92Å; L407-W436 HydrophobicContact CD1-CG 3.85Å; L407-W436 HydrophobicContact CD1-CH2 4.13Å; L407-W436 HydrophobicContact CD1-CZ2 3.69Å; L407-W436 HydrophobicContact CD1-CZ3 4.24Å; L407-W436 HydrophobicContact CD2-CZ2 4.4Å; F417-W436 AromaticContact CD1-CE2 3.89Å; F417-W436 HydrophobicContact CD1-CZ2 4.04Å; F417-W436 AromaticContact CD1-NE1 3.19Å; F417-W436 AromaticContact CD2-CZ2 3.77Å; F417-W436 HydrophobicContact CD2-CZ2 3.77Å; F417-W436 AromaticContact CE1-CE2 3.9Å; F417-W436 AromaticContact CE1-CZ2 3.9Å; F417-W436 HydrophobicContact CE1-CZ2 3.9Å; F417-W436 AromaticContact CE1-NE1 3.26Å; F417-W436 VanDerWaalsContact CE1-NE1 3.26Å; F417-W436 AromaticContact CE2-CZ2 3.64Å; F417-W436 HydrophobicContact CE2-CZ2 3.64Å; F417-W436 AromaticContact CG-CZ2 3.98Å; F417-W436 HydrophobicContact CG-CZ2 3.98Å; F417-W436 AromaticContact CG-NE1 3.85Å; F417-W436 AromaticContact CZ-CZ2 3.7Å; F417-W436 HydrophobicContact CZ-CZ2 3.7Å; F417-W436 AromaticContact CZ-NE1 3.98Å; L428-W436 HydrophobicContact CB-CB 4.25Å; L428-W436 HydrophobicContact CB-CD2 3.74Å; L428-W436 HydrophobicContact CB-CE3 4.29Å; L428-W436 HydrophobicContact CB-CG 3.72Å; L428-W436 HydrophobicContact CD1-CD2 4.46Å; L428-W436 HydrophobicContact CD1-CE3 4.16Å; L428-W436 HydrophobicContact CD2-CD2 4.13Å; L428-W436 HydrophobicContact CD2-CE3 4.05Å; L428-W436 HydrophobicContact CD2-CH2 3.89Å; L428-W436 HydrophobicContact CD2-CZ2 3.97Å; L428-W436 HydrophobicContact CD2-CZ3 3.93Å; L428-W436 HydrophobicContact CG-CD2 4.33Å; L428-W436 HydrophobicContact CG-CE3 4.4Å; L428-W436 PolarHBondContact O-N 3.24Å; W436-V444 HydrophobicContact CB-CG1 4.35Å; W436-V444 HydrophobicContact CD2-CG1 4.3Å; W436-V444 HydrophobicContact CE3-CG1 3.88Å; W436-V445 CarbonylContact C-O 3.59Å; W436-V445 WeakPolarHBondContact CA-O 3.38Å; W436-V452 VanDerWaalsContact O-CB 3.3Å; W436-V452 WeakPolarHBondContact O-CB 3.41Å; W436-V452 WeakPolarHBondContact O-CG2 3.36Å; W436-F454 HydrophobicContact CB-CE2 3.74Å; W436-F454 HydrophobicContact CB-CZ 4.07Å; W436-L475 HydrophobicContact CE3-CD1 4.39Å; W436-L475 HydrophobicContact CZ3-CD1 3.91Å; W436-L483 HydrophobicContact CE3-CD2 4.43Å; W436-L483 HydrophobicContact CH2-CD2 3.92Å; W436-L483 HydrophobicContact CZ3-CD2 3.75Å |
| 437 | M | 97.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 28% | 0.281 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157.3 | 172.8 | 61.5 | 172.8 | -68.1 | 0 | 0 | 110.2 | V444 V445 S447 V452 | M437-V444 WeakPolarHBondContact O-CA 3.42Å; M437-V445 HydrophobicContact CG-CG2 3.68Å; M437-V445 WeakPolarHBondContact CG-O 3.3Å; M437-V445 PolarHBondContact N-O 3.23Å; M437-V445 PolarHBondContact O-N 3.33Å; M437-V445 HydrophobicContact SD-CG2 4.32Å; M437-S447 PolarHBondContact SD-OG 2.86Å; M437-V452 HydrophobicContact CB-CG2 3.85Å |
| 438 | V | 97.5 | Very high | 95.5 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 114.9 | 170.5 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F454 H468 A485 | V438-F454 HydrophobicContact CG2-CE1 4.3Å; V438-F454 HydrophobicContact CG2-CZ 4.41Å; V438-H468 HydrophobicContact CG2-CB 4.13Å; V438-A485 HydrophobicContact CG1-CB 4.13Å; V438-A485 HydrophobicContact CG2-CB 3.8Å |
| 439 | G | 91.7 | Very high | 95.5 | Very high | 26 Ų | 26 | 53 Ų | 53 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | trans | -98.7 | -155.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q442 A443 | G439-Q442 PolarHBondContact O-N 2.85Å; G439-A443 PolarHBondContact N-O 3.16Å | ||
| 440 | N | 89.1 | Confident | 95.5 | Very high | 152 Ų | 152 | 55.5 Ų | 55.5 | 81% | 0.813 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -59.2 | 148.8 | 178.1 | -66.6 | -18.6 | 0 | 0 | 0 | 111.7 | Q442 A443 | N440-Q442 PolarHBondContact O-N 2.76Å; N440-Q442 VanDerWaalsContact O-N 3.1Å; N440-A443 WeakPolarHBondContact O-CB 3.17Å; N440-A443 PolarHBondContact O-N 3.05Å; N440-A443 VanDerWaalsContact O-N 3.09Å |
| 441 | E | 91 | Very high | 95.6 | Very high | 160 Ų | 160 | 56.8 Ų | 56.8 | 75% | 0.748 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | 53.7 | 29 | -179.8 | -54.4 | -175.4 | 174.9 | 0 | 0 | 114.4 | A443 K484 | E441-A443 PolarHBondContact O-N 3.05Å; E441-K484 PolarHBondContact O-NZ 3.21Å; E441-K484 IonicContact OE2-NZ 2.82Å |
| 442 | Q | 95.7 | Very high | 96 | Very high | 72 Ų | 72 | 53 Ų | 53 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | 62.5 | 17.3 | -178.4 | -58.7 | -63.7 | -13.9 | 0 | 0 | 114.4 | G439 N440 D471 K484 A485 N486 | G439-Q442 PolarHBondContact O-N 2.85Å; N440-Q442 PolarHBondContact O-N 2.76Å; N440-Q442 VanDerWaalsContact O-N 3.1Å; Q442-D471 PolarHBondContact OE1-OD2 2.66Å; Q442-K484 CarbonylContact O-C 3.59Å; Q442-K484 WeakPolarHBondContact O-CA 3.39Å; Q442-K484 WeakPolarHBondContact O-CB 3.44Å; Q442-A485 WeakPolarHBondContact CB-O 3.5Å; Q442-A485 PolarHBondContact O-N 2.55Å; Q442-A485 PolarHBondContact OE1-O 3.09Å; Q442-N486 HydrophobicContact CB-CB 4.07Å; Q442-N486 HydrophobicContact CG-CB 4.35Å |
| 443 | A | 96.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 132.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G439 N440 E441 V482 | G439-A443 PolarHBondContact N-O 3.16Å; N440-A443 WeakPolarHBondContact O-CB 3.17Å; N440-A443 PolarHBondContact O-N 3.05Å; N440-A443 VanDerWaalsContact O-N 3.09Å; E441-A443 PolarHBondContact O-N 3.05Å; A443-V482 HydrophobicContact CB-CG1 4.45Å |
| 444 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.2 | 173.3 | -166.3 | 0 | 0 | 0 | 0 | 109 | L407 W436 M437 F454 L475 L483 A485 | L407-V444 HydrophobicContact CD1-CB 4.26Å; L407-V444 HydrophobicContact CD1-CG1 3.76Å; L407-V444 PolarHBondContact N-O 3.31Å; W436-V444 HydrophobicContact CB-CG1 4.35Å; W436-V444 HydrophobicContact CD2-CG1 4.3Å; W436-V444 HydrophobicContact CE3-CG1 3.88Å; M437-V444 WeakPolarHBondContact O-CA 3.42Å; V444-F454 HydrophobicContact CG1-CZ 4.27Å; V444-L475 HydrophobicContact CG2-CD1 4.42Å; V444-L475 HydrophobicContact CG2-CD2 3.71Å; V444-L483 HydrophobicContact CB-CB 4.3Å; V444-L483 HydrophobicContact CB-CD2 3.92Å; V444-L483 HydrophobicContact CB-CG 3.97Å; V444-L483 HydrophobicContact CG1-CD2 4.18Å; V444-L483 HydrophobicContact CG2-CD2 4.28Å; V444-L483 HydrophobicContact CG2-CG 3.99Å; V444-L483 PolarHBondContact N-O 3.04Å; V444-A485 HydrophobicContact CG2-CB 4.29Å |
| 445 | V | 97.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.3 | -178.1 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | G405 W436 M437 S447 | G405-V445 CarbonylContact O-C 3.57Å; G405-V445 WeakPolarHBondContact O-CA 3.35Å; W436-V445 CarbonylContact C-O 3.59Å; W436-V445 WeakPolarHBondContact CA-O 3.38Å; M437-V445 HydrophobicContact CG-CG2 3.68Å; M437-V445 WeakPolarHBondContact CG-O 3.3Å; M437-V445 PolarHBondContact N-O 3.23Å; M437-V445 PolarHBondContact O-N 3.33Å; M437-V445 HydrophobicContact SD-CG2 4.32Å; V445-S447 WeakPolarHBondContact CG2-OG 3.24Å; V445-S447 PolarHBondContact O-N 2.99Å |
| 446 | S | 97.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 45 Ų | 45 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 88 | 172.6 | -166.9 | 0 | 0 | 0 | 0 | 109.5 | G405 D430 K434 | G405-S446 WeakPolarHBondContact CA-O 3.4Å; G405-S446 PolarHBondContact O-N 3.12Å; D430-S446 WeakPolarHBondContact CB-OG 3.33Å; D430-S446 VanDerWaalsContact OD2-CB 3.3Å; D430-S446 WeakPolarHBondContact OD2-CB 3.37Å; D430-S446 PolarHBondContact OD2-OG 2.91Å; K434-S446 PolarHBondContact O-OG 2.91Å; K434-S446 VanDerWaalsContact O-OG 3.1Å |
| 447 | S | 96.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | -6.3 | -175.3 | 64.1 | 0 | 0 | 0 | 0 | 114.8 | Y435 M437 V445 | Y435-S447 PolarHBondContact O-N 2.95Å; Y435-S447 VanDerWaalsContact O-N 3.08Å; M437-S447 PolarHBondContact SD-OG 2.86Å; V445-S447 WeakPolarHBondContact CG2-OG 3.24Å; V445-S447 PolarHBondContact O-N 2.99Å |
| 448 | S | 97.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.9 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | K434 Y435 T450 | K434-S448 WeakPolarHBondContact CA-O 3.5Å; Y435-S448 PolarHBondContact N-O 2.98Å; Y435-S448 WeakPolarHBondContact O-CB 3.4Å; Y435-S448 PolarHBondContact O-N 3.18Å; S448-T450 VanDerWaalsContact C-N 3.34Å; S448-T450 WeakPolarHBondContact CB-O 3.4Å; S448-T450 PolarHBondContact OG-N 3.32Å; S448-T450 VanDerWaalsContact OG-N 3.11Å; S448-T450 PolarHBondContact OG-O 2.98Å; S448-T450 PolarHBondContact OG-OG1 3.27Å |
| 449 | D | 97.4 | Very high | 95.9 | Very high | 124 Ų | 124 | 42.6 Ų | 42.6 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -84.4 | -13.2 | 169.8 | -74.6 | -62.6 | 0 | 0 | 0 | 112.7 | K434 | K434-D449 IonicContact NZ-OD1 3.28Å; K434-D449 PolarHBondContact NZ-OD1 2.76Å; K434-D449 IonicContact NZ-OD2 2.89Å; K434-D449 PolarHBondContact NZ-OD2 2.76Å |
| 450 | T | 97.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 42.4 Ų | 42.4 | 56% | 0.564 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -117 | 145.5 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | S448 V452 | S448-T450 VanDerWaalsContact C-N 3.34Å; S448-T450 WeakPolarHBondContact CB-O 3.4Å; S448-T450 PolarHBondContact OG-N 3.32Å; S448-T450 VanDerWaalsContact OG-N 3.11Å; S448-T450 PolarHBondContact OG-O 2.98Å; S448-T450 PolarHBondContact OG-OG1 3.27Å; T450-V452 PolarHBondContact O-N 2.78Å |
| 451 | P | 97.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 25% | 0.253 | 21% | 0.211 | S | C | . | . | trans | -60.1 | 135.8 | 177.5 | -23.8 | 34.8 | 0 | 0 | 0 | 112.2 | S427 Y435 | S427-P451 VanDerWaalsContact OG-CB 3.24Å; S427-P451 WeakPolarHBondContact OG-CB 3.36Å; Y435-P451 HydrophobicContact CD1-CB 4.31Å; Y435-P451 HydrophobicContact CD1-CG 4.45Å; Y435-P451 HydrophobicContact CD2-CG 4.32Å; Y435-P451 HydrophobicContact CE1-CB 4.23Å; Y435-P451 HydrophobicContact CE1-CG 4.02Å; Y435-P451 HydrophobicContact CE2-CG 3.88Å | ||
| 452 | V | 98.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | trans | -114.7 | 136 | 172.7 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | S427 W436 M437 T450 F454 | S427-V452 WeakPolarHBondContact CA-O 3.44Å; S427-V452 WeakPolarHBondContact CB-O 3.38Å; S427-V452 PolarHBondContact OG-N 3.45Å; S427-V452 PolarHBondContact OG-O 3.47Å; W436-V452 VanDerWaalsContact O-CB 3.3Å; W436-V452 WeakPolarHBondContact O-CB 3.41Å; W436-V452 WeakPolarHBondContact O-CG2 3.36Å; M437-V452 HydrophobicContact CB-CG2 3.85Å; T450-V452 PolarHBondContact O-N 2.78Å; V452-F454 HydrophobicContact CB-CE2 4.19Å; V452-F454 HydrophobicContact CG1-CE2 4.11Å; V452-F454 HydrophobicContact CG1-CZ 4.43Å; V452-F454 WeakPolarHBondContact O-CD2 3.37Å | ||
| 453 | D | 98.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | trans | -82 | 125 | -174.5 | -75.2 | -0.4 | 0 | 0 | 0 | 111.5 | K346 A425 A469 | K346-D453 VanDerWaalsContact CE-OD2 3.27Å; K346-D453 WeakPolarHBondContact CE-OD2 3.43Å; K346-D453 IonicContact NZ-OD2 2.7Å; K346-D453 PolarHBondContact NZ-OD2 3.19Å; A425-D453 HydrophobicContact CB-CB 3.79Å; D453-A469 HydrophobicContact CB-CB 3.68Å; D453-A469 WeakPolarHBondContact O-CB 3.39Å; D453-A469 PolarHBondContact O-N 3.16Å | ||
| 454 | F | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.5 | 166.7 | -63.9 | -90.2 | 0 | 0 | 0 | 109.7 | Y426 L428 W436 V438 V444 V452 V466 R467 H468 L475 | Y426-F454 PolarHBondContact N-O 2.91Å; Y426-F454 PolarHBondContact O-N 2.88Å; L428-F454 HydrophobicContact CD1-CB 4.28Å; L428-F454 HydrophobicContact CD1-CD2 3.84Å; L428-F454 HydrophobicContact CD1-CG 4.21Å; W436-F454 HydrophobicContact CB-CE2 3.74Å; W436-F454 HydrophobicContact CB-CZ 4.07Å; V438-F454 HydrophobicContact CG2-CE1 4.3Å; V438-F454 HydrophobicContact CG2-CZ 4.41Å; V444-F454 HydrophobicContact CG1-CZ 4.27Å; V452-F454 HydrophobicContact CB-CE2 4.19Å; V452-F454 HydrophobicContact CG1-CE2 4.11Å; V452-F454 HydrophobicContact CG1-CZ 4.43Å; V452-F454 WeakPolarHBondContact O-CD2 3.37Å; F454-V466 HydrophobicContact CB-CG1 3.87Å; F454-V466 HydrophobicContact CD1-CG1 3.87Å; F454-V466 HydrophobicContact CG-CG1 4.17Å; F454-R467 CarbonylContact C-O 3.55Å; F454-R467 WeakPolarHBondContact CA-O 3.17Å; F454-H468 HydrophobicContact CD1-CB 4.33Å; F454-H468 HydrophobicContact CE1-CB 4.23Å; F454-L475 HydrophobicContact CD1-CD1 4.32Å; F454-L475 HydrophobicContact CE1-CD1 4.23Å; F454-L475 HydrophobicContact CE1-CD2 4.22Å |
| 455 | L | 98.4 | Very high | 95.2 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.9 | 179.1 | -51.9 | 176.2 | 0 | 0 | 0 | 108.8 | K346 A425 V466 R467 A469 | K346-L455 HydrophobicContact CG-CD2 3.97Å; A425-L455 HydrophobicContact CB-CD2 3.98Å; L455-V466 WeakPolarHBondContact O-CA 3.24Å; L455-R467 HydrophobicContact CB-CB 4.36Å; L455-R467 PolarHBondContact N-O 2.9Å; L455-R467 PolarHBondContact O-N 3.1Å; L455-A469 HydrophobicContact CD1-CB 4.47Å; L455-A469 HydrophobicContact CD2-CB 4.31Å; L455-A469 HydrophobicContact CG-CB 4.13Å |
| 456 | F | 97.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.8 | 178.6 | -78.2 | 10.8 | 0 | 0 | 0 | 109.9 | W343 L383 I389 L419 Y426 L428 L464 V466 | W343-F456 VanDerWaalsContact CH2-O 3.23Å; W343-F456 WeakPolarHBondContact CH2-O 3.5Å; W343-F456 WeakPolarHBondContact CZ3-O 3.31Å; L383-F456 HydrophobicContact CD2-CD2 4.32Å; L383-F456 HydrophobicContact CD2-CE2 4.48Å; I389-F456 HydrophobicContact CD1-CE2 3.75Å; I389-F456 HydrophobicContact CD1-CZ 4.22Å; L419-F456 HydrophobicContact CD1-CE2 3.9Å; L419-F456 HydrophobicContact CD1-CZ 3.71Å; L419-F456 HydrophobicContact CD2-CE2 3.86Å; Y426-F456 HydrophobicContact CD2-CB 4.04Å; Y426-F456 HydrophobicContact CD2-CD1 4.1Å; Y426-F456 AromaticContact CD2-CD2 3.94Å; Y426-F456 HydrophobicContact CD2-CD2 3.94Å; Y426-F456 HydrophobicContact CD2-CE2 4.46Å; Y426-F456 AromaticContact CD2-CG 3.75Å; Y426-F456 HydrophobicContact CD2-CG 3.75Å; Y426-F456 HydrophobicContact CE2-CB 3.92Å; Y426-F456 HydrophobicContact CE2-CD2 4.08Å; Y426-F456 HydrophobicContact CE2-CG 4.03Å; Y426-F456 HydrophobicContact CG-CD2 4.32Å; Y426-F456 HydrophobicContact CG-CE2 4.41Å; Y426-F456 HydrophobicContact CG-CG 4.45Å; L428-F456 HydrophobicContact CD1-CE1 4.31Å; L428-F456 HydrophobicContact CD1-CZ 4.38Å; L428-F456 HydrophobicContact CD2-CZ 4.45Å; F456-L464 HydrophobicContact CB-CD2 4.43Å; F456-L464 HydrophobicContact CD1-CD1 4.24Å; F456-L464 HydrophobicContact CD2-CD1 4.43Å; F456-L464 HydrophobicContact CD2-CD2 3.63Å; F456-L464 HydrophobicContact CE2-CD2 3.99Å; F456-L464 HydrophobicContact CG-CD1 4.19Å; F456-L464 HydrophobicContact CG-CD2 4.07Å; F456-V466 HydrophobicContact CD1-CG1 4.17Å; F456-V466 HydrophobicContact CD1-CG2 4.08Å; F456-V466 HydrophobicContact CE1-CB 4.42Å; F456-V466 HydrophobicContact CE1-CG1 3.89Å; F456-V466 HydrophobicContact CE1-CG2 3.8Å |
| 457 | E | 96.6 | Very high | 95.2 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 104.3 | -179 | -60.5 | -177 | -175.8 | 0 | 0 | 109.7 | W343 C459 L464 A465 R467 Y474 | W343-E457 HydrophobicContact CB-CG 4.28Å; W343-E457 HydrophobicContact CD2-CB 3.98Å; W343-E457 HydrophobicContact CD2-CG 3.66Å; W343-E457 HydrophobicContact CE3-CG 4.07Å; W343-E457 HydrophobicContact CG-CB 4.21Å; W343-E457 HydrophobicContact CG-CG 3.72Å; W343-E457 VanDerWaalsContact CZ2-CA 3.43Å; W343-E457 HydrophobicContact CZ2-CB 4.09Å; E457-C459 PolarHBondContact O-N 3.45Å; E457-C459 VanDerWaalsContact O-N 3.09Å; E457-C459 PolarHBondContact O-SG 3.31Å; E457-L464 CarbonylContact O-C 3.47Å; E457-L464 WeakPolarHBondContact O-CA 3.37Å; E457-A465 HydrophobicContact CB-CB 4.39Å; E457-A465 PolarHBondContact N-O 2.86Å; E457-A465 PolarHBondContact O-N 2.88Å; E457-R467 IonicContact OE1-CZ 4Å; E457-R467 IonicContact OE1-NE 2.69Å; E457-R467 PolarHBondContact OE1-NE 3.39Å; E457-R467 IonicContact OE1-NH2 3.15Å; E457-R467 PolarHBondContact OE1-NH2 2.91Å; E457-Y474 WeakPolarHBondContact OE2-CE1 3.24Å; E457-Y474 PolarHBondContact OE2-OH 2.53Å |
| 458 | F | 94.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 100.6 | 174 | -58.9 | -75.8 | 0 | 0 | 0 | 110.4 | P264 V266 I301 W343 M381 L383 L464 Y498 | P264-F458 HydrophobicContact CB-CD1 4.27Å; P264-F458 HydrophobicContact CB-CE1 3.63Å; P264-F458 HydrophobicContact CB-CZ 4.03Å; P264-F458 HydrophobicContact CG-CD1 4.35Å; P264-F458 HydrophobicContact CG-CE1 4.2Å; V266-F458 HydrophobicContact CG1-CE2 4.25Å; V266-F458 HydrophobicContact CG1-CZ 4.49Å; I301-F458 HydrophobicContact CD1-CB 4.23Å; I301-F458 HydrophobicContact CG1-CB 4.28Å; W343-F458 AromaticContact CH2-CD2 3.9Å; W343-F458 HydrophobicContact CH2-CD2 3.9Å; W343-F458 HydrophobicContact CZ2-CB 4.26Å; W343-F458 HydrophobicContact CZ2-CD2 4.37Å; M381-F458 HydrophobicContact CE-CD2 3.45Å; M381-F458 VanDerWaalsContact CE-CD2 3.45Å; M381-F458 HydrophobicContact CE-CE2 3.66Å; M381-F458 HydrophobicContact SD-CD2 4.43Å; M381-F458 HydrophobicContact SD-CE2 4.41Å; L383-F458 HydrophobicContact CB-CZ 4.44Å; L383-F458 HydrophobicContact CD1-CZ 4.06Å; L383-F458 HydrophobicContact CD2-CZ 4.17Å; L383-F458 HydrophobicContact CG-CZ 4.46Å; F458-L464 HydrophobicContact CD1-CB 4.13Å; F458-L464 HydrophobicContact CE1-CB 4.47Å; F458-L464 HydrophobicContact CE1-CD2 4.15Å; F458-Y498 AromaticContact CD1-CE1 3.98Å; F458-Y498 HydrophobicContact CD1-CE1 3.98Å; F458-Y498 AromaticContact CD1-CZ 3.81Å; F458-Y498 WeakPolarHBondContact CD1-OH 3.3Å; F458-Y498 HydrophobicContact CE1-CE1 4.03Å; F458-Y498 HydrophobicContact CE1-CE2 4.18Å; F458-Y498 AromaticContact CE1-CZ 3.7Å |
| 459 | C | 89.3 | Confident | 95.2 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | -5.1 | -170.9 | 56.4 | 0 | 0 | 0 | 0 | 114.3 | E457 L490 L495 | E457-C459 PolarHBondContact O-N 3.45Å; E457-C459 VanDerWaalsContact O-N 3.09Å; E457-C459 PolarHBondContact O-SG 3.31Å; C459-L490 HydrophobicContact CB-CD1 4.23Å; C459-L495 WeakPolarHBondContact SG-CD2 3.3Å |
| 460 | D | 90.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166.3 | 175.2 | -158.1 | -28.1 | 0 | 0 | 0 | 110.5 | R306 N462 K463 L495 | R306-D460 IonicContact CZ-OD1 2.99Å; R306-D460 IonicContact CZ-OD2 2.73Å; R306-D460 VanDerWaalsContact CZ-OD2 3.29Å; R306-D460 IonicContact NH1-OD1 3.83Å; R306-D460 PolarHBondContact NH1-OD1 2.93Å; R306-D460 IonicContact NH1-OD2 2.87Å; R306-D460 PolarHBondContact NH1-OD2 2.81Å; R306-D460 VanDerWaalsContact NH2-CG 3.27Å; R306-D460 IonicContact NH2-OD1 3.79Å; R306-D460 IonicContact NH2-OD2 2.69Å; R306-D460 PolarHBondContact NH2-OD2 3.4Å; D460-N462 PolarHBondContact O-N 2.98Å; D460-N462 VanDerWaalsContact O-N 3.09Å; D460-K463 HydrophobicContact CB-CB 4.06Å; D460-K463 HydrophobicContact CB-CG 4.49Å; D460-K463 PolarHBondContact N-O 3.22Å; D460-K463 PolarHBondContact O-N 3.43Å; D460-K463 VanDerWaalsContact O-O 3.07Å; D460-L495 HydrophobicContact CB-CD1 4.23Å |
| 461 | Y | 85.1 | Confident | 94.8 | Very high | 77 Ų | 77 | 27.4 Ų | 27.4 | 30% | 0.302 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 113 | 172.9 | 179.6 | -95.1 | 0 | 0 | 0 | 110.5 | H263 R303 K463 | H263-Y461 AromaticContact CE1-CE2 3.94Å; H263-Y461 AromaticContact CE1-CZ 3.89Å; R303-Y461 HydrophobicContact CG-CD2 4.48Å; R303-Y461 HydrophobicContact CG-CG 4.11Å; Y461-K463 PolarHBondContact O-N 3.06Å; Y461-K463 VanDerWaalsContact O-N 3.12Å |
| 462 | N | 84.1 | Confident | 94.7 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 25.4 | -177.2 | -61.2 | -17.7 | 0 | 0 | 0 | 114.1 | Q261 H263 D460 E497 | Q261-N462 PolarHBondContact NE2-ND2 3.2Å; Q261-N462 PolarHBondContact OE1-ND2 3.44Å; H263-N462 PolarHBondContact CE1-OD1 2.76Å; H263-N462 PolarHBondContact ND1-OD1 2.74Å; D460-N462 PolarHBondContact O-N 2.98Å; D460-N462 VanDerWaalsContact O-N 3.09Å; N462-E497 VanDerWaalsContact O-CA 3.3Å; N462-E497 WeakPolarHBondContact O-CA 3.46Å; N462-E497 WeakPolarHBondContact O-CG 3.29Å |
| 463 | K | 93.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 27.9 Ų | 27.9 | 29% | 0.291 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 147.5 | 169.5 | -46.3 | 180 | 177.4 | 179.5 | 0 | 111.5 | D460 Y461 L495 W496 E497 Y498 | D460-K463 HydrophobicContact CB-CB 4.06Å; D460-K463 HydrophobicContact CB-CG 4.49Å; D460-K463 PolarHBondContact N-O 3.22Å; D460-K463 PolarHBondContact O-N 3.43Å; D460-K463 VanDerWaalsContact O-O 3.07Å; Y461-K463 PolarHBondContact O-N 3.06Å; Y461-K463 VanDerWaalsContact O-N 3.12Å; K463-L495 HydrophobicContact CB-CB 4.21Å; K463-L495 HydrophobicContact CD-CB 3.86Å; K463-L495 HydrophobicContact CD-CD1 4.33Å; K463-W496 CarbonylContact C-O 3.55Å; K463-W496 WeakPolarHBondContact CA-O 3.11Å; K463-W496 WeakPolarHBondContact CB-O 3.2Å; K463-E497 HydrophobicContact CG-CB 4.25Å; K463-Y498 VanDerWaalsContact C-CE1 3.46Å |
| 464 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 156.2 | 173.5 | 63.6 | 82.5 | 0 | 0 | 0 | 109.3 | F456 E457 F458 V466 W496 Y498 | F456-L464 HydrophobicContact CB-CD2 4.43Å; F456-L464 HydrophobicContact CD1-CD1 4.24Å; F456-L464 HydrophobicContact CD2-CD1 4.43Å; F456-L464 HydrophobicContact CD2-CD2 3.63Å; F456-L464 HydrophobicContact CE2-CD2 3.99Å; F456-L464 HydrophobicContact CG-CD1 4.19Å; F456-L464 HydrophobicContact CG-CD2 4.07Å; E457-L464 CarbonylContact O-C 3.47Å; E457-L464 WeakPolarHBondContact O-CA 3.37Å; F458-L464 HydrophobicContact CD1-CB 4.13Å; F458-L464 HydrophobicContact CE1-CB 4.47Å; F458-L464 HydrophobicContact CE1-CD2 4.15Å; L464-V466 HydrophobicContact CD1-CB 4.46Å; L464-V466 HydrophobicContact CD1-CG2 3.29Å; L464-W496 PolarHBondContact N-O 2.93Å; L464-W496 PolarHBondContact O-N 3.04Å; L464-Y498 HydrophobicContact CB-CD1 4.05Å; L464-Y498 HydrophobicContact CB-CE1 3.93Å; L464-Y498 HydrophobicContact CD2-CD1 3.42Å; L464-Y498 VanDerWaalsContact CD2-CD1 3.42Å; L464-Y498 HydrophobicContact CD2-CE1 3.88Å; L464-Y498 HydrophobicContact CD2-CG 3.88Å; L464-Y498 HydrophobicContact CG-CD1 3.58Å; L464-Y498 HydrophobicContact CG-CE1 3.99Å; L464-Y498 HydrophobicContact CG-CG 4.44Å |
| 465 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.7 | 161 | 0 | 0 | 0 | 0 | 0 | 109.1 | E457 Y474 L490 L495 | E457-A465 HydrophobicContact CB-CB 4.39Å; E457-A465 PolarHBondContact N-O 2.86Å; E457-A465 PolarHBondContact O-N 2.88Å; A465-Y474 HydrophobicContact CB-CD1 3.74Å; A465-Y474 HydrophobicContact CB-CE1 3.8Å; A465-L490 HydrophobicContact CB-CD2 3.29Å; A465-L495 HydrophobicContact CB-CD2 4.39Å |
| 466 | V | 98.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.9 | 172.3 | -174.6 | 0 | 0 | 0 | 0 | 107.4 | F454 L455 F456 L464 Y474 L475 | F454-V466 HydrophobicContact CB-CG1 3.87Å; F454-V466 HydrophobicContact CD1-CG1 3.87Å; F454-V466 HydrophobicContact CG-CG1 4.17Å; L455-V466 WeakPolarHBondContact O-CA 3.24Å; F456-V466 HydrophobicContact CD1-CG1 4.17Å; F456-V466 HydrophobicContact CD1-CG2 4.08Å; F456-V466 HydrophobicContact CE1-CB 4.42Å; F456-V466 HydrophobicContact CE1-CG1 3.89Å; F456-V466 HydrophobicContact CE1-CG2 3.8Å; L464-V466 HydrophobicContact CD1-CB 4.46Å; L464-V466 HydrophobicContact CD1-CG2 3.29Å; V466-Y474 CarbonylContact O-C 3.49Å; V466-Y474 WeakPolarHBondContact O-CA 3.37Å; V466-L475 HydrophobicContact CB-CB 4.24Å; V466-L475 HydrophobicContact CB-CD1 3.77Å; V466-L475 HydrophobicContact CB-CG 3.83Å; V466-L475 HydrophobicContact CG1-CD1 3.49Å; V466-L475 VanDerWaalsContact CG1-CD1 3.49Å; V466-L475 HydrophobicContact CG1-CG 3.82Å; V466-L475 WeakPolarHBondContact O-CG 3.43Å; V466-L475 PolarHBondContact O-N 2.81Å |
| 467 | R | 97.7 | Very high | 94.5 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.9 | 179.5 | -174.2 | 162 | 62.2 | 125.3 | -5.9 | 110.1 | F454 L455 E457 A469 G472 K473 Y474 | F454-R467 CarbonylContact C-O 3.55Å; F454-R467 WeakPolarHBondContact CA-O 3.17Å; L455-R467 HydrophobicContact CB-CB 4.36Å; L455-R467 PolarHBondContact N-O 2.9Å; L455-R467 PolarHBondContact O-N 3.1Å; E457-R467 IonicContact OE1-CZ 4Å; E457-R467 IonicContact OE1-NE 2.69Å; E457-R467 PolarHBondContact OE1-NE 3.39Å; E457-R467 IonicContact OE1-NH2 3.15Å; E457-R467 PolarHBondContact OE1-NH2 2.91Å; R467-A469 PolarHBondContact O-N 3.26Å; R467-G472 WeakPolarHBondContact CD-O 3.48Å; R467-G472 WeakPolarHBondContact CG-O 3.41Å; R467-K473 WeakPolarHBondContact CA-O 3.36Å; R467-Y474 HydrophobicContact CB-CD1 3.8Å; R467-Y474 HydrophobicContact CB-CE1 3.86Å; R467-Y474 HydrophobicContact CG-CD1 4.25Å; R467-Y474 HydrophobicContact CG-CE1 4.25Å |
| 468 | H | 97.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 12% | 0.12 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.5 | 174.3 | 175.8 | -134.4 | 0 | 0 | 0 | 109.5 | V438 F454 G470 D471 G472 K473 A485 | V438-H468 HydrophobicContact CG2-CB 4.13Å; F454-H468 HydrophobicContact CD1-CB 4.33Å; F454-H468 HydrophobicContact CE1-CB 4.23Å; H468-G470 VanDerWaalsContact C-N 3.26Å; H468-G470 PolarHBondContact O-N 3.33Å; H468-D471 WeakPolarHBondContact CB-OD1 3.29Å; H468-D471 IonicContact CE1-OD2 3.29Å; H468-D471 IonicContact CG-OD1 3.43Å; H468-D471 IonicContact ND1-OD1 2.6Å; H468-D471 PolarHBondContact ND1-OD1 3.4Å; H468-D471 IonicContact ND1-OD2 2.7Å; H468-D471 PolarHBondContact ND1-OD2 2.68Å; H468-G472 VanDerWaalsContact O-CA 3.28Å; H468-G472 WeakPolarHBondContact O-CA 3.35Å; H468-G472 PolarHBondContact O-N 2.8Å; H468-K473 PolarHBondContact N-O 3.29Å; H468-A485 HydrophobicContact CB-CB 4.14Å |
| 469 | A | 96.3 | Very high | 94 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D453 L455 R467 | D453-A469 HydrophobicContact CB-CB 3.68Å; D453-A469 WeakPolarHBondContact O-CB 3.39Å; D453-A469 PolarHBondContact O-N 3.16Å; L455-A469 HydrophobicContact CD1-CB 4.47Å; L455-A469 HydrophobicContact CD2-CB 4.31Å; L455-A469 HydrophobicContact CG-CB 4.13Å; R467-A469 PolarHBondContact O-N 3.26Å |
| 470 | G | 93.6 | Very high | 94.1 | Very high | 67 Ų | 67 | 43 Ų | 43 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -40.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | H468 | H468-G470 VanDerWaalsContact C-N 3.26Å; H468-G470 PolarHBondContact O-N 3.33Å |
| 471 | D | 92.6 | Very high | 94.2 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -4.5 | -177.1 | 57 | 26.2 | 0 | 0 | 0 | 113.9 | Q442 H468 K473 | Q442-D471 PolarHBondContact OE1-OD2 2.66Å; H468-D471 WeakPolarHBondContact CB-OD1 3.29Å; H468-D471 IonicContact CE1-OD2 3.29Å; H468-D471 IonicContact CG-OD1 3.43Å; H468-D471 IonicContact ND1-OD1 2.6Å; H468-D471 PolarHBondContact ND1-OD1 3.4Å; H468-D471 IonicContact ND1-OD2 2.7Å; H468-D471 PolarHBondContact ND1-OD2 2.68Å; D471-K473 VanDerWaalsContact C-N 3.26Å; D471-K473 HydrophobicContact CB-CG 4.34Å; D471-K473 PolarHBondContact O-N 2.79Å; D471-K473 WeakPolarHBondContact OD1-CB 3.46Å; D471-K473 PolarHBondContact OD1-N 3.13Å |
| 472 | G | 95.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | trans | 71.7 | 14.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R467 H468 | R467-G472 WeakPolarHBondContact CD-O 3.48Å; R467-G472 WeakPolarHBondContact CG-O 3.41Å; H468-G472 VanDerWaalsContact O-CA 3.28Å; H468-G472 WeakPolarHBondContact O-CA 3.35Å; H468-G472 PolarHBondContact O-N 2.8Å | ||
| 473 | K | 97.7 | Very high | 95.4 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 24% | 0.235 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -85.6 | 139.1 | 179.8 | -61.1 | -64.3 | -174.1 | 174.5 | 0 | 112.1 | R467 H468 D471 A485 A487 D488 | R467-K473 WeakPolarHBondContact CA-O 3.36Å; H468-K473 PolarHBondContact N-O 3.29Å; D471-K473 VanDerWaalsContact C-N 3.26Å; D471-K473 HydrophobicContact CB-CG 4.34Å; D471-K473 PolarHBondContact O-N 2.79Å; D471-K473 WeakPolarHBondContact OD1-CB 3.46Å; D471-K473 PolarHBondContact OD1-N 3.13Å; K473-A485 VanDerWaalsContact CB-C 3.47Å; K473-A485 HydrophobicContact CB-CB 4.35Å; K473-A485 VanDerWaalsContact CB-O 3.28Å; K473-A485 WeakPolarHBondContact CB-O 3.42Å; K473-A487 CarbonylContact C-O 3.56Å; K473-A487 WeakPolarHBondContact CA-O 3.42Å; K473-D488 IonicContact NZ-OD1 3.11Å; K473-D488 PolarHBondContact NZ-OD1 2.79Å; K473-D488 IonicContact NZ-OD2 3.58Å; K473-D488 PolarHBondContact NZ-OD2 3.46Å |
| 474 | Y | 98.4 | Very high | 95.5 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 11% | 0.106 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.5 | 172.6 | -66.6 | -75.6 | 0 | 0 | 0 | 111.4 | E457 A465 V466 R467 N486 A487 L490 | E457-Y474 WeakPolarHBondContact OE2-CE1 3.24Å; E457-Y474 PolarHBondContact OE2-OH 2.53Å; A465-Y474 HydrophobicContact CB-CD1 3.74Å; A465-Y474 HydrophobicContact CB-CE1 3.8Å; V466-Y474 CarbonylContact O-C 3.49Å; V466-Y474 WeakPolarHBondContact O-CA 3.37Å; R467-Y474 HydrophobicContact CB-CD1 3.8Å; R467-Y474 HydrophobicContact CB-CE1 3.86Å; R467-Y474 HydrophobicContact CG-CD1 4.25Å; R467-Y474 HydrophobicContact CG-CE1 4.25Å; Y474-N486 PolarHBondContact O-N 2.95Å; Y474-A487 PolarHBondContact N-O 3.39Å; Y474-A487 PolarHBondContact O-N 2.91Å; Y474-L490 HydrophobicContact CD1-CD2 3.86Å; Y474-L490 HydrophobicContact CD2-CD2 4.43Å; Y474-L490 HydrophobicContact CE1-CD2 3.5Å; Y474-L490 VanDerWaalsContact CE1-CD2 3.5Å; Y474-L490 HydrophobicContact CE1-CG 4.3Å; Y474-L490 HydrophobicContact CE2-CD2 4.13Å; Y474-L490 HydrophobicContact CE2-CG 4.21Å; Y474-L490 HydrophobicContact CG-CD2 4.3Å |
| 475 | L | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 131.4 | 175.2 | -57.6 | -163.4 | 0 | 0 | 0 | 110.7 | W436 V444 F454 V466 L483 K484 A485 T494 W496 | W436-L475 HydrophobicContact CE3-CD1 4.39Å; W436-L475 HydrophobicContact CZ3-CD1 3.91Å; V444-L475 HydrophobicContact CG2-CD1 4.42Å; V444-L475 HydrophobicContact CG2-CD2 3.71Å; F454-L475 HydrophobicContact CD1-CD1 4.32Å; F454-L475 HydrophobicContact CE1-CD1 4.23Å; F454-L475 HydrophobicContact CE1-CD2 4.22Å; V466-L475 HydrophobicContact CB-CB 4.24Å; V466-L475 HydrophobicContact CB-CD1 3.77Å; V466-L475 HydrophobicContact CB-CG 3.83Å; V466-L475 HydrophobicContact CG1-CD1 3.49Å; V466-L475 VanDerWaalsContact CG1-CD1 3.49Å; V466-L475 HydrophobicContact CG1-CG 3.82Å; V466-L475 WeakPolarHBondContact O-CG 3.43Å; V466-L475 PolarHBondContact O-N 2.81Å; L475-L483 HydrophobicContact CB-CD1 4.14Å; L475-L483 HydrophobicContact CD1-CD2 4.23Å; L475-K484 CarbonylContact C-O 3.54Å; L475-K484 VanDerWaalsContact CA-O 3.29Å; L475-K484 WeakPolarHBondContact CA-O 3.41Å; L475-A485 HydrophobicContact CD2-CB 3.47Å; L475-A485 VanDerWaalsContact CD2-CB 3.47Å; L475-T494 VanDerWaalsContact O-CA 3.31Å; L475-T494 WeakPolarHBondContact O-CA 3.49Å; L475-W496 HydrophobicContact CB-CZ2 4.32Å; L475-W496 PolarHBondContact O-NE1 3.03Å; L475-W496 VanDerWaalsContact O-NE1 3.16Å |
| 476 | R | 97 | Very high | 95.6 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.8 | 169.2 | 61.6 | 172.1 | 176.2 | -169.6 | 1.2 | 111.5 | K484 N486 A487 E491 A493 T494 | R476-K484 PolarHBondContact N-O 3.01Å; R476-K484 PolarHBondContact O-N 3.44Å; R476-N486 WeakPolarHBondContact CG-OD1 3.41Å; R476-N486 PolarHBondContact NE-OD1 3Å; R476-N486 PolarHBondContact NH2-OD1 3.49Å; R476-A487 HydrophobicContact CG-CB 4.18Å; R476-E491 WeakPolarHBondContact CD-OE1 3.25Å; R476-E491 IonicContact CZ-OE1 2.74Å; R476-E491 IonicContact NE-OE1 3.46Å; R476-E491 IonicContact NH1-OE1 3.39Å; R476-E491 PolarHBondContact NH1-OE1 3.41Å; R476-A493 HydrophobicContact CB-CB 4.47Å; R476-A493 WeakPolarHBondContact CB-O 3.48Å; R476-T494 HydrophobicContact CB-CG2 3.97Å |
| 477 | G | 94.9 | Very high | 95.5 | Very high | 16 Ų | 16 | 40 Ų | 40 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 139.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S409 V482 | S409-G477 WeakPolarHBondContact OG-CA 3.31Å; G477-V482 CarbonylContact C-O 3.46Å; G477-V482 WeakPolarHBondContact CA-O 3.33Å |
| 478 | D | 92.5 | Very high | 95.5 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 19% | 0.193 | 25% | 0.249 | C | C | . | . | trans | -80.9 | -176.7 | 168.9 | 77.6 | 6.6 | 0 | 0 | 0 | 112.5 | A480 G481 V482 K484 | D478-A480 PolarHBondContact O-N 3.4Å; D478-A480 WeakPolarHBondContact OD1-CA 3.44Å; D478-A480 WeakPolarHBondContact OD1-CB 3.33Å; D478-A480 PolarHBondContact OD1-N 2.81Å; D478-G481 WeakPolarHBondContact O-CA 3.48Å; D478-G481 PolarHBondContact O-N 3.39Å; D478-G481 PolarHBondContact OD1-N 2.81Å; D478-V482 PolarHBondContact N-O 2.85Å; D478-V482 PolarHBondContact OD1-N 2.87Å; D478-K484 HydrophobicContact CB-CD 4.25Å; D478-K484 HydrophobicContact CB-CG 4.48Å; D478-K484 VanDerWaalsContact OD2-CE 3.31Å; D478-K484 WeakPolarHBondContact OD2-CE 3.45Å; D478-K484 IonicContact OD2-NZ 3.96Å | ||
| 479 | H | 87.9 | Confident | 95.4 | Very high | 192 Ų | 192 | 47.3 Ų | 47.3 | 89% | 0.889 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.2 | -179.6 | 66.5 | 60 | 0 | 0 | 0 | 113.8 | ||
| 480 | A | 90.5 | Very high | 95.2 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N410 D478 V482 | N410-A480 PolarHBondContact ND2-O 2.92Å; N410-A480 VanDerWaalsContact ND2-O 3.14Å; D478-A480 PolarHBondContact O-N 3.4Å; D478-A480 WeakPolarHBondContact OD1-CA 3.44Å; D478-A480 WeakPolarHBondContact OD1-CB 3.33Å; D478-A480 PolarHBondContact OD1-N 2.81Å; A480-V482 HydrophobicContact CB-CG2 4.47Å |
| 481 | G | 92.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | 81.8 | 14.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D408 S409 D478 | D408-G481 CarbonylContact C-O 3.54Å; D408-G481 VanDerWaalsContact CA-O 3.23Å; D408-G481 WeakPolarHBondContact CA-O 3.36Å; S409-G481 PolarHBondContact N-O 2.99Å; S409-G481 PolarHBondContact OG-O 3.17Å; D478-G481 WeakPolarHBondContact O-CA 3.48Å; D478-G481 PolarHBondContact O-N 3.39Å; D478-G481 PolarHBondContact OD1-N 2.81Å | ||
| 482 | V | 96.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 133.6 | 171.3 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | T406 A443 G477 D478 A480 K484 | T406-V482 HydrophobicContact CG2-CG1 4.11Å; A443-V482 HydrophobicContact CB-CG1 4.45Å; G477-V482 CarbonylContact C-O 3.46Å; G477-V482 WeakPolarHBondContact CA-O 3.33Å; D478-V482 PolarHBondContact N-O 2.85Å; D478-V482 PolarHBondContact OD1-N 2.87Å; A480-V482 HydrophobicContact CB-CG2 4.47Å; V482-K484 PolarHBondContact O-N 2.78Å |
| 483 | L | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127 | 176.9 | -172.1 | 65.1 | 0 | 0 | 0 | 110.2 | I398 L407 W436 V444 L475 W496 | I398-L483 HydrophobicContact CD1-CD1 4.17Å; I398-L483 HydrophobicContact CD1-CD2 3.9Å; I398-L483 HydrophobicContact CG2-CD2 4.3Å; L407-L483 HydrophobicContact CB-CB 3.94Å; L407-L483 HydrophobicContact CB-CD2 3.99Å; L407-L483 HydrophobicContact CD1-CD2 3.89Å; L407-L483 WeakPolarHBondContact O-CB 3.43Å; L407-L483 PolarHBondContact O-N 3.02Å; W436-L483 HydrophobicContact CE3-CD2 4.43Å; W436-L483 HydrophobicContact CH2-CD2 3.92Å; W436-L483 HydrophobicContact CZ3-CD2 3.75Å; V444-L483 HydrophobicContact CB-CB 4.3Å; V444-L483 HydrophobicContact CB-CD2 3.92Å; V444-L483 HydrophobicContact CB-CG 3.97Å; V444-L483 HydrophobicContact CG1-CD2 4.18Å; V444-L483 HydrophobicContact CG2-CD2 4.28Å; V444-L483 HydrophobicContact CG2-CG 3.99Å; V444-L483 PolarHBondContact N-O 3.04Å; L475-L483 HydrophobicContact CB-CD1 4.14Å; L475-L483 HydrophobicContact CD1-CD2 4.23Å; L483-W496 HydrophobicContact CD1-CH2 3.45Å; L483-W496 VanDerWaalsContact CD1-CH2 3.45Å; L483-W496 HydrophobicContact CD1-CZ2 3.41Å; L483-W496 VanDerWaalsContact CD1-CZ2 3.41Å; L483-W496 HydrophobicContact CD1-CZ3 4.48Å |
| 484 | K | 97.9 | Very high | 95.1 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.1 | 179.3 | -62.6 | -160.4 | 170.8 | -164.9 | 0 | 112.5 | E441 Q442 L475 R476 D478 V482 N486 | E441-K484 PolarHBondContact O-NZ 3.21Å; E441-K484 IonicContact OE2-NZ 2.82Å; Q442-K484 CarbonylContact O-C 3.59Å; Q442-K484 WeakPolarHBondContact O-CA 3.39Å; Q442-K484 WeakPolarHBondContact O-CB 3.44Å; L475-K484 CarbonylContact C-O 3.54Å; L475-K484 VanDerWaalsContact CA-O 3.29Å; L475-K484 WeakPolarHBondContact CA-O 3.41Å; R476-K484 PolarHBondContact N-O 3.01Å; R476-K484 PolarHBondContact O-N 3.44Å; D478-K484 HydrophobicContact CB-CD 4.25Å; D478-K484 HydrophobicContact CB-CG 4.48Å; D478-K484 VanDerWaalsContact OD2-CE 3.31Å; D478-K484 WeakPolarHBondContact OD2-CE 3.45Å; D478-K484 IonicContact OD2-NZ 3.96Å; V482-K484 PolarHBondContact O-N 2.78Å; K484-N486 HydrophobicContact CB-CB 4.49Å; K484-N486 PolarHBondContact O-N 2.8Å |
| 485 | A | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 75.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | V438 Q442 V444 H468 K473 L475 | V438-A485 HydrophobicContact CG1-CB 4.13Å; V438-A485 HydrophobicContact CG2-CB 3.8Å; Q442-A485 WeakPolarHBondContact CB-O 3.5Å; Q442-A485 PolarHBondContact O-N 2.55Å; Q442-A485 PolarHBondContact OE1-O 3.09Å; V444-A485 HydrophobicContact CG2-CB 4.29Å; H468-A485 HydrophobicContact CB-CB 4.14Å; K473-A485 VanDerWaalsContact CB-C 3.47Å; K473-A485 HydrophobicContact CB-CB 4.35Å; K473-A485 VanDerWaalsContact CB-O 3.28Å; K473-A485 WeakPolarHBondContact CB-O 3.42Å; L475-A485 HydrophobicContact CD2-CB 3.47Å; L475-A485 VanDerWaalsContact CD2-CB 3.47Å |
| 486 | N | 96.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 10.2 | -171.5 | 71.3 | 0.7 | 0 | 0 | 0 | 115.3 | Q442 Y474 R476 K484 | Q442-N486 HydrophobicContact CB-CB 4.07Å; Q442-N486 HydrophobicContact CG-CB 4.35Å; Y474-N486 PolarHBondContact O-N 2.95Å; R476-N486 WeakPolarHBondContact CG-OD1 3.41Å; R476-N486 PolarHBondContact NE-OD1 3Å; R476-N486 PolarHBondContact NH2-OD1 3.49Å; K484-N486 HydrophobicContact CB-CB 4.49Å; K484-N486 PolarHBondContact O-N 2.8Å |
| 487 | A | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K473 Y474 R476 T494 | K473-A487 CarbonylContact C-O 3.56Å; K473-A487 WeakPolarHBondContact CA-O 3.42Å; Y474-A487 PolarHBondContact N-O 3.39Å; Y474-A487 PolarHBondContact O-N 2.91Å; R476-A487 HydrophobicContact CG-CB 4.18Å; A487-T494 HydrophobicContact CB-CG2 3.49Å; A487-T494 VanDerWaalsContact CB-CG2 3.49Å |
| 488 | D | 96.3 | Very high | 94.7 | Very high | 105 Ų | 105 | 45.1 Ų | 45.1 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -86.7 | -33.1 | 177.1 | -79.6 | -76 | 0 | 0 | 0 | 112.6 | K473 | K473-D488 IonicContact NZ-OD1 3.11Å; K473-D488 PolarHBondContact NZ-OD1 2.79Å; K473-D488 IonicContact NZ-OD2 3.58Å; K473-D488 PolarHBondContact NZ-OD2 3.46Å |
| 489 | D | 95.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 67% | 0.674 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -121.7 | 161.1 | -172.5 | -63.1 | -66.8 | 0 | 0 | 0 | 111.6 | E491 | D489-E491 PolarHBondContact O-N 2.95Š|
| 490 | L | 93.8 | Very high | 95.1 | Very high | 83 Ų | 83 | 37.9 Ų | 37.9 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | trans | -73.1 | 121.8 | 170.1 | -68.2 | 175.9 | 0 | 0 | 0 | 110.4 | C459 A465 Y474 | C459-L490 HydrophobicContact CB-CD1 4.23Å; A465-L490 HydrophobicContact CB-CD2 3.29Å; Y474-L490 HydrophobicContact CD1-CD2 3.86Å; Y474-L490 HydrophobicContact CD2-CD2 4.43Å; Y474-L490 HydrophobicContact CE1-CD2 3.5Å; Y474-L490 VanDerWaalsContact CE1-CD2 3.5Å; Y474-L490 HydrophobicContact CE1-CG 4.3Å; Y474-L490 HydrophobicContact CE2-CD2 4.13Å; Y474-L490 HydrophobicContact CE2-CG 4.21Å; Y474-L490 HydrophobicContact CG-CD2 4.3Å | ||
| 491 | E | 93.4 | Very high | 95.4 | Very high | 80 Ų | 80 | 37.1 Ų | 37.1 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | trans | -138 | 167.7 | 174.6 | 58.3 | -178.8 | 176.9 | 0 | 0 | 110.2 | R476 D489 A493 T494 L495 | R476-E491 WeakPolarHBondContact CD-OE1 3.25Å; R476-E491 IonicContact CZ-OE1 2.74Å; R476-E491 IonicContact NE-OE1 3.46Å; R476-E491 IonicContact NH1-OE1 3.39Å; R476-E491 PolarHBondContact NH1-OE1 3.41Å; D489-E491 PolarHBondContact O-N 2.95Å; E491-A493 HydrophobicContact CG-CB 4.25Å; E491-A493 PolarHBondContact O-N 2.9Å; E491-A493 VanDerWaalsContact O-N 3.09Å; E491-T494 HydrophobicContact CG-CG2 3.68Å; E491-T494 PolarHBondContact N-OG1 3.16Å; E491-T494 PolarHBondContact O-N 2.75Å; E491-T494 PolarHBondContact O-OG1 3.43Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å | ||
| 492 | T | 91.3 | Very high | 95.6 | Very high | 89 Ų | 89 | 39.1 Ų | 39.1 | 55% | 0.546 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -53.1 | -36.4 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | T494 L495 | T492-T494 VanDerWaalsContact C-N 3.26Å; T492-T494 PolarHBondContact O-N 2.99Å; T492-L495 PolarHBondContact O-N 3.37Å |
| 493 | A | 94.3 | Very high | 95.5 | Very high | 26 Ų | 26 | 40 Ų | 40 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -72.3 | -13.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R476 E491 | R476-A493 HydrophobicContact CB-CB 4.47Å; R476-A493 WeakPolarHBondContact CB-O 3.48Å; E491-A493 HydrophobicContact CG-CB 4.25Å; E491-A493 PolarHBondContact O-N 2.9Å; E491-A493 VanDerWaalsContact O-N 3.09Å |
| 494 | T | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -99.2 | 2.2 | 176.3 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | L475 R476 A487 E491 T492 W496 | L475-T494 VanDerWaalsContact O-CA 3.31Å; L475-T494 WeakPolarHBondContact O-CA 3.49Å; R476-T494 HydrophobicContact CB-CG2 3.97Å; A487-T494 HydrophobicContact CB-CG2 3.49Å; A487-T494 VanDerWaalsContact CB-CG2 3.49Å; E491-T494 HydrophobicContact CG-CG2 3.68Å; E491-T494 PolarHBondContact N-OG1 3.16Å; E491-T494 PolarHBondContact O-N 2.75Å; E491-T494 PolarHBondContact O-OG1 3.43Å; T492-T494 VanDerWaalsContact C-N 3.26Å; T492-T494 PolarHBondContact O-N 2.99Å; T494-W496 VanDerWaalsContact O-CD1 3.26Å; T494-W496 PolarHBondContact O-NE1 3.34Å |
| 495 | L | 96.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.5 | -179.8 | -59.1 | -176.6 | 0 | 0 | 0 | 111.4 | C459 D460 K463 A465 E491 T492 | C459-L495 WeakPolarHBondContact SG-CD2 3.3Å; D460-L495 HydrophobicContact CB-CD1 4.23Å; K463-L495 HydrophobicContact CB-CB 4.21Å; K463-L495 HydrophobicContact CD-CB 3.86Å; K463-L495 HydrophobicContact CD-CD1 4.33Å; A465-L495 HydrophobicContact CB-CD2 4.39Å; E491-L495 WeakPolarHBondContact O-CG 3.44Å; T492-L495 PolarHBondContact O-N 3.37Å |
| 496 | W | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.3 | -177.1 | -52.5 | 92.2 | 0 | 0 | 0 | 109.3 | L391 R392 I398 S409 K463 L464 L475 L483 T494 | L391-W496 HydrophobicContact CB-CB 4.47Å; L391-W496 HydrophobicContact CD2-CB 3.96Å; R392-W496 CarbonylContact O-C 3.58Å; R392-W496 WeakPolarHBondContact O-CA 3.26Å; I398-W496 HydrophobicContact CD1-CD2 4.1Å; I398-W496 HydrophobicContact CD1-CE3 3.61Å; I398-W496 HydrophobicContact CD1-CH2 3.96Å; I398-W496 HydrophobicContact CD1-CZ2 4.39Å; I398-W496 HydrophobicContact CD1-CZ3 3.55Å; I398-W496 HydrophobicContact CG1-CE3 3.89Å; I398-W496 HydrophobicContact CG1-CH2 4.18Å; I398-W496 HydrophobicContact CG1-CZ3 3.52Å; S409-W496 VanDerWaalsContact CB-CH2 3.49Å; K463-W496 CarbonylContact C-O 3.55Å; K463-W496 WeakPolarHBondContact CA-O 3.11Å; K463-W496 WeakPolarHBondContact CB-O 3.2Å; L464-W496 PolarHBondContact N-O 2.93Å; L464-W496 PolarHBondContact O-N 3.04Å; L475-W496 HydrophobicContact CB-CZ2 4.32Å; L475-W496 PolarHBondContact O-NE1 3.03Å; L475-W496 VanDerWaalsContact O-NE1 3.16Å; L483-W496 HydrophobicContact CD1-CH2 3.45Å; L483-W496 VanDerWaalsContact CD1-CH2 3.45Å; L483-W496 HydrophobicContact CD1-CZ2 3.41Å; L483-W496 VanDerWaalsContact CD1-CZ2 3.41Å; L483-W496 HydrophobicContact CD1-CZ3 4.48Å; T494-W496 VanDerWaalsContact O-CD1 3.26Å; T494-W496 PolarHBondContact O-NE1 3.34Å |
| 497 | E | 95.1 | Very high | 94.8 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 146.4 | 165.6 | -178.2 | -179.2 | -160 | 0 | 0 | 110.3 | H143 Q261 L391 R392 N462 K463 | H143-E497 HydrophobicContact CB-CG 4.25Å; Q261-E497 PolarHBondContact NE2-OE1 3.28Å; L391-E497 CarbonylContact C-O 3.5Å; L391-E497 WeakPolarHBondContact CA-O 3.41Å; R392-E497 HydrophobicContact CB-CB 4.28Å; R392-E497 IonicContact CZ-OE2 3.63Å; R392-E497 PolarHBondContact N-O 3.24Å; R392-E497 IonicContact NE-OE2 2.67Å; R392-E497 PolarHBondContact NE-OE2 3.07Å; R392-E497 IonicContact NH2-OE1 3.31Å; R392-E497 IonicContact NH2-OE2 2.69Å; R392-E497 PolarHBondContact NH2-OE2 3.21Å; R392-E497 PolarHBondContact O-N 3.24Å; N462-E497 VanDerWaalsContact O-CA 3.3Å; N462-E497 WeakPolarHBondContact O-CA 3.46Å; N462-E497 WeakPolarHBondContact O-CG 3.29Å; K463-E497 HydrophobicContact CG-CB 4.25Å |
| 498 | Y | 91.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | trans | -142.4 | 0 | -172.5 | 59.9 | -94.3 | 0 | 0 | 0 | 113.2 | H143 Q145 P264 R386 V390 F458 K463 L464 | H143-Y498 PolarHBondContact CE1-O 2.84Å; H143-Y498 PolarHBondContact CE1-OXT 3.23Å; H143-Y498 PolarHBondContact ND1-O 3.16Å; H143-Y498 WeakPolarHBondContact NE2-CA 3.46Å; Q145-Y498 PolarHBondContact OE1-OXT 3.28Å; P264-Y498 HydrophobicContact CB-CE2 3.65Å; P264-Y498 VanDerWaalsContact CD-OH 3.24Å; P264-Y498 WeakPolarHBondContact CD-OH 3.27Å; P264-Y498 HydrophobicContact CG-CE2 3.95Å; P264-Y498 WeakPolarHBondContact CG-OH 3.24Å; R386-Y498 VanDerWaalsContact CZ-OXT 3.24Å; R386-Y498 PolarHBondContact NE-OXT 2.93Å; R386-Y498 PolarHBondContact NH2-O 2.88Å; R386-Y498 PolarHBondContact NH2-OXT 2.82Å; V390-Y498 WeakPolarHBondContact O-CA 3.25Å; F458-Y498 AromaticContact CD1-CE1 3.98Å; F458-Y498 HydrophobicContact CD1-CE1 3.98Å; F458-Y498 AromaticContact CD1-CZ 3.81Å; F458-Y498 WeakPolarHBondContact CD1-OH 3.3Å; F458-Y498 HydrophobicContact CE1-CE1 4.03Å; F458-Y498 HydrophobicContact CE1-CE2 4.18Å; F458-Y498 AromaticContact CE1-CZ 3.7Å; K463-Y498 VanDerWaalsContact C-CE1 3.46Å; L464-Y498 HydrophobicContact CB-CD1 4.05Å; L464-Y498 HydrophobicContact CB-CE1 3.93Å; L464-Y498 HydrophobicContact CD2-CD1 3.42Å; L464-Y498 VanDerWaalsContact CD2-CD1 3.42Å; L464-Y498 HydrophobicContact CD2-CE1 3.88Å; L464-Y498 HydrophobicContact CD2-CG 3.88Å; L464-Y498 HydrophobicContact CG-CD1 3.58Å; L464-Y498 HydrophobicContact CG-CE1 3.99Å; L464-Y498 HydrophobicContact CG-CG 4.44Å |
Retrieved 498 of 498 residues in 94.4 ms
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