| 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 | 36.1 | Very low | 67.5 | Low | 240 Ų | 240 | 122.3 Ų | 122.3 | 100% | 1.182 | 64% | 0.644 | S | S | * | * | 0 | 116.7 | 0 | -70.7 | 172 | -172 | 0 | 0 | 106 | D3 | M1-D3 PolarHBondContact O-N 3.32Š| |||
| 2 | A | 45.7 | Very low | 70 | Confident | 80 Ų | 80 | 116.7 Ų | 116.7 | 66% | 0.661 | 61% | 0.61 | S | S | * | * | trans | -78.7 | 115.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | F4 | A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 HydrophobicContact CB-CD2 4.1Å; A2-F4 HydrophobicContact CB-CE2 4.1Å; A2-F4 PolarHBondContact O-N 2.99Å | ||
| 3 | D | 45.7 | Very low | 72.2 | Confident | 156 Ų | 156 | 107.7 Ų | 107.7 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | trans | -63.4 | 94 | 172 | -81.9 | -36.7 | 0 | 0 | 0 | 109 | M1 N5 | M1-D3 PolarHBondContact O-N 3.32Å; D3-N5 PolarHBondContact O-N 3.12Å; D3-N5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | F | 51.1 | Low | 74.1 | Confident | 196 Ų | 196 | 100 Ų | 100 | 86% | 0.86 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 13 | -179.2 | -101.9 | -81.9 | 0 | 0 | 0 | 113.9 | A2 | A2-F4 VanDerWaalsContact C-N 3.31Å; A2-F4 HydrophobicContact CB-CD2 4.1Å; A2-F4 HydrophobicContact CB-CE2 4.1Å; A2-F4 PolarHBondContact O-N 2.99Å |
| 5 | N | 55 | Low | 75.7 | Confident | 152 Ų | 152 | 93.3 Ų | 93.3 | 81% | 0.813 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.4 | -171.3 | -96 | -5.7 | 0 | 0 | 0 | 115.6 | D3 P7 | D3-N5 PolarHBondContact O-N 3.12Å; D3-N5 VanDerWaalsContact O-N 3.12Å; N5-P7 WeakPolarHBondContact O-CD 3.33Å |
| 6 | N | 59.1 | Low | 77.1 | Confident | 154 Ų | 154 | 87.5 Ų | 87.5 | 82% | 0.824 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -91.6 | 106.7 | 172.7 | -126.5 | -10.3 | 0 | 0 | 0 | 110.1 | L8 | N6-L8 PolarHBondContact O-N 2.92Š|
| 7 | P | 76.5 | Confident | 78.4 | Confident | 111 Ų | 111 | 82.4 Ų | 82.4 | 72% | 0.721 | 43% | 0.431 | S | S | * | . | trans | -61.1 | 130.1 | -178.8 | 23.4 | -31.3 | 0 | 0 | 0 | 110 | N5 Q9 | N5-P7 WeakPolarHBondContact O-CD 3.33Å; P7-Q9 PolarHBondContact O-N 2.87Å | ||
| 8 | L | 87.9 | Confident | 79.4 | Confident | 66 Ų | 66 | 80.3 Ų | 80.3 | 35% | 0.346 | 42% | 0.419 | S | S | . | . | trans | -53.2 | 113.1 | 178.4 | -178.8 | 67.1 | 0 | 0 | 0 | 110.1 | N6 K10 T58 R60 | N6-L8 PolarHBondContact O-N 2.92Å; L8-K10 PolarHBondContact O-N 3.13Å; L8-T58 HydrophobicContact CD1-CG2 3.7Å; L8-T58 WeakPolarHBondContact CD1-O 3.22Å; L8-R60 HydrophobicContact CD2-CB 3.72Å; L8-R60 HydrophobicContact CG-CB 4.07Å | ||
| 9 | Q | 93.2 | Very high | 80.3 | Confident | 61 Ų | 61 | 81.1 Ų | 81.1 | 29% | 0.285 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 130.1 | -177 | -165.6 | 173.3 | 48.9 | 0 | 0 | 109.9 | P7 F11 R60 | P7-Q9 PolarHBondContact O-N 2.87Å; Q9-F11 HydrophobicContact CB-CE2 4.37Å; Q9-F11 HydrophobicContact CG-CD2 4.46Å; Q9-F11 HydrophobicContact CG-CE1 4.44Å; Q9-F11 HydrophobicContact CG-CE2 3.74Å; Q9-F11 HydrophobicContact CG-CZ 3.75Å; Q9-F11 VanDerWaalsContact OE1-CE2 3.28Å; Q9-R60 PolarHBondContact O-N 3.3Å |
| 10 | K | 95.4 | Very high | 81.1 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.2 | -177.8 | -58.9 | 175.5 | -170.9 | 169 | 0 | 109.9 | L8 R60 | L8-K10 PolarHBondContact O-N 3.13Å; K10-R60 CarbonylContact C-O 3.6Å; K10-R60 VanDerWaalsContact CA-O 3.3Å; K10-R60 WeakPolarHBondContact CA-O 3.28Å; K10-R60 HydrophobicContact CG-CB 4.3Å |
| 11 | F | 96.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130 | 174.7 | -64.2 | -75.4 | 0 | 0 | 0 | 110.7 | Q9 L13 I59 R60 L61 Q62 L171 V172 K175 | Q9-F11 HydrophobicContact CB-CE2 4.37Å; Q9-F11 HydrophobicContact CG-CD2 4.46Å; Q9-F11 HydrophobicContact CG-CE1 4.44Å; Q9-F11 HydrophobicContact CG-CE2 3.74Å; Q9-F11 HydrophobicContact CG-CZ 3.75Å; Q9-F11 VanDerWaalsContact OE1-CE2 3.28Å; F11-L13 HydrophobicContact CB-CD1 4.25Å; F11-I59 HydrophobicContact CD2-CB 4.33Å; F11-I59 HydrophobicContact CD2-CD1 4.07Å; F11-I59 HydrophobicContact CE2-CB 4.37Å; F11-I59 HydrophobicContact CE2-CD1 4.34Å; F11-I59 HydrophobicContact CE2-CG2 4.11Å; F11-R60 PolarHBondContact N-O 3.11Å; F11-L61 HydrophobicContact CB-CD2 3.97Å; F11-L61 CarbonylContact O-C 3.47Å; F11-L61 WeakPolarHBondContact O-CA 3.42Å; F11-Q62 PolarHBondContact O-N 2.9Å; F11-L171 HydrophobicContact CB-CD1 3.76Å; F11-L171 HydrophobicContact CD1-CB 3.93Å; F11-L171 HydrophobicContact CD1-CD1 4.04Å; F11-L171 HydrophobicContact CD1-CD2 3.72Å; F11-L171 HydrophobicContact CD1-CG 4.14Å; F11-L171 HydrophobicContact CD2-CB 4.4Å; F11-L171 HydrophobicContact CD2-CD1 4.4Å; F11-L171 HydrophobicContact CE1-CB 3.75Å; F11-L171 HydrophobicContact CE1-CD2 4.06Å; F11-L171 HydrophobicContact CE1-CG 4.4Å; F11-L171 HydrophobicContact CE2-CB 4.26Å; F11-L171 HydrophobicContact CG-CB 4.22Å; F11-L171 HydrophobicContact CG-CD1 3.84Å; F11-L171 HydrophobicContact CG-CD2 4.36Å; F11-L171 HydrophobicContact CG-CG 4.4Å; F11-L171 HydrophobicContact CZ-CB 3.92Å; F11-L171 WeakPolarHBondContact CZ-O 3.44Å; F11-V172 HydrophobicContact CE2-CG2 3.77Å; F11-V172 HydrophobicContact CZ-CG2 4.07Å; F11-K175 HydrophobicContact CE1-CD 3.7Å; F11-K175 HydrophobicContact CE1-CG 4.44Å; F11-K175 HydrophobicContact CZ-CD 4.1Å |
| 12 | K | 97.7 | Very high | 84.8 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 24% | 0.239 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.3 | 177.2 | -73 | 173.1 | 172.7 | -178.9 | 0 | 109.3 | Q62 D82 S84 A85 | K12-Q62 CarbonylContact C-O 3.6Å; K12-Q62 WeakPolarHBondContact CA-O 3.47Å; K12-Q62 HydrophobicContact CG-CB 4Å; K12-D82 HydrophobicContact CD-CB 4.06Å; K12-D82 WeakPolarHBondContact CD-O 3.17Å; K12-D82 IonicContact NZ-OD2 3.49Å; K12-D82 PolarHBondContact NZ-OD2 3.43Å; K12-S84 PolarHBondContact O-N 3.11Å; K12-A85 PolarHBondContact O-N 2.9Å |
| 13 | L | 98.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.5 | 175.1 | -83.3 | 60.5 | 0 | 0 | 0 | 108 | F11 F15 L61 Q62 L63 W64 A85 F164 I167 L171 | F11-L13 HydrophobicContact CB-CD1 4.25Å; L13-F15 HydrophobicContact CB-CE2 4.13Å; L13-L61 HydrophobicContact CD1-CD2 4.01Å; L13-L61 HydrophobicContact CD2-CD1 4.18Å; L13-Q62 PolarHBondContact N-O 2.88Å; L13-L63 HydrophobicContact CB-CD2 4.04Å; L13-L63 HydrophobicContact CD2-CD2 3.97Å; L13-W64 PolarHBondContact O-N 3.14Å; L13-A85 WeakPolarHBondContact CA-O 3.39Å; L13-A85 HydrophobicContact CD1-CB 4.31Å; L13-A85 HydrophobicContact CG-CB 4.13Å; L13-F164 HydrophobicContact CD2-CD1 4.24Å; L13-F164 HydrophobicContact CD2-CE1 4.32Å; L13-I167 HydrophobicContact CD1-CG2 4.26Å; L13-I167 HydrophobicContact CD2-CD1 4.09Å; L13-I167 HydrophobicContact CD2-CG2 3.88Å; L13-I167 HydrophobicContact CG-CG2 4.12Å; L13-L171 HydrophobicContact CD1-CD1 3.91Å |
| 14 | V | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.2 | 171.4 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | L16 W64 T66 I80 S83 A85 A86 V87 | V14-L16 HydrophobicContact CG1-CD1 4.24Å; V14-L16 HydrophobicContact CG1-CG 4.27Å; V14-L16 HydrophobicContact CG2-CD2 3.79Å; V14-L16 HydrophobicContact CG2-CG 4.11Å; V14-W64 HydrophobicContact CB-CB 4.45Å; V14-W64 HydrophobicContact CG2-CB 4.37Å; V14-T66 HydrophobicContact CG2-CG2 3.66Å; V14-I80 HydrophobicContact CG1-CG1 4.3Å; V14-S83 WeakPolarHBondContact CB-OG 3.21Å; V14-A85 PolarHBondContact N-O 2.85Å; V14-A86 HydrophobicContact CG1-CB 3.97Å; V14-A86 WeakPolarHBondContact O-CA 3.23Å; V14-V87 PolarHBondContact O-N 3.16Å |
| 15 | F | 98.7 | Very high | 92 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 121.4 | 176.3 | -75.3 | -108.1 | 0 | 0 | 0 | 109.1 | L13 K23 I27 L63 W64 T66 V87 V89 F164 | L13-F15 HydrophobicContact CB-CE2 4.13Å; F15-K23 HydrophobicContact CB-CB 4.13Å; F15-K23 HydrophobicContact CB-CD 4.23Å; F15-K23 HydrophobicContact CB-CG 4.42Å; F15-I27 HydrophobicContact CB-CD1 4.16Å; F15-I27 HydrophobicContact CD1-CD1 4.11Å; F15-I27 HydrophobicContact CD1-CG1 3.99Å; F15-I27 HydrophobicContact CD2-CD1 3.65Å; F15-I27 HydrophobicContact CD2-CG1 3.97Å; F15-I27 HydrophobicContact CE1-CD1 4.5Å; F15-I27 HydrophobicContact CE1-CG1 3.93Å; F15-I27 HydrophobicContact CE2-CD1 4.1Å; F15-I27 HydrophobicContact CE2-CG1 3.93Å; F15-I27 HydrophobicContact CG-CD1 3.69Å; F15-I27 HydrophobicContact CG-CG1 4.03Å; F15-I27 HydrophobicContact CZ-CG1 3.93Å; F15-L63 HydrophobicContact CE2-CB 4.47Å; F15-L63 HydrophobicContact CE2-CD2 4.23Å; F15-W64 PolarHBondContact N-O 3.32Å; F15-T66 WeakPolarHBondContact O-CB 3.4Å; F15-T66 WeakPolarHBondContact O-CG2 3.45Å; F15-T66 PolarHBondContact O-OG1 3.09Å; F15-V87 WeakPolarHBondContact CA-O 3.48Å; F15-V87 HydrophobicContact CD1-CB 3.85Å; F15-V87 HydrophobicContact CD1-CG1 3.86Å; F15-V87 HydrophobicContact CD1-CG2 4.41Å; F15-V87 HydrophobicContact CE1-CB 3.86Å; F15-V87 HydrophobicContact CE1-CG1 3.69Å; F15-V87 HydrophobicContact CE1-CG2 4.02Å; F15-V87 HydrophobicContact CE2-CG2 4.14Å; F15-V87 HydrophobicContact CG-CB 4.17Å; F15-V87 HydrophobicContact CZ-CB 4.18Å; F15-V87 HydrophobicContact CZ-CG1 4.35Å; F15-V87 HydrophobicContact CZ-CG2 3.83Å; F15-V89 HydrophobicContact CD1-CG2 4.45Å; F15-F164 HydrophobicContact CE1-CZ 4.04Å; F15-F164 HydrophobicContact CE2-CE1 4.21Å; F15-F164 HydrophobicContact CE2-CZ 4.35Å; F15-F164 AromaticContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE2 4.45Å; F15-F164 AromaticContact CZ-CZ 3.4Å; F15-F164 HydrophobicContact CZ-CZ 3.4Å; F15-F164 VanDerWaalsContact CZ-CZ 3.4Å |
| 16 | L | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 161.9 | -174.7 | -59.4 | 174.3 | 0 | 0 | 0 | 110.7 | V14 K23 T66 I76 I80 A86 V87 V88 V89 W104 V108 | V14-L16 HydrophobicContact CG1-CD1 4.24Å; V14-L16 HydrophobicContact CG1-CG 4.27Å; V14-L16 HydrophobicContact CG2-CD2 3.79Å; V14-L16 HydrophobicContact CG2-CG 4.11Å; L16-K23 VanDerWaalsContact C-CD 3.44Å; L16-K23 WeakPolarHBondContact O-CD 3.35Å; L16-T66 HydrophobicContact CD2-CG2 4.09Å; L16-I76 HydrophobicContact CD2-CG2 3.46Å; L16-I76 VanDerWaalsContact CD2-CG2 3.46Å; L16-I80 HydrophobicContact CD1-CD1 3.8Å; L16-I80 HydrophobicContact CD1-CG1 4.03Å; L16-I80 HydrophobicContact CD2-CD1 4.35Å; L16-I80 HydrophobicContact CD2-CG1 4.38Å; L16-A86 HydrophobicContact CD1-CB 4.42Å; L16-V87 PolarHBondContact N-O 3.13Å; L16-V88 HydrophobicContact CB-CG2 4.41Å; L16-V89 PolarHBondContact O-N 3.28Å; L16-W104 HydrophobicContact CB-CD2 4.23Å; L16-W104 HydrophobicContact CB-CE3 3.94Å; L16-W104 HydrophobicContact CB-CZ3 4.44Å; L16-W104 HydrophobicContact CD1-CE3 4.38Å; L16-W104 HydrophobicContact CD2-CE3 4.17Å; L16-W104 HydrophobicContact CD2-CZ3 4.01Å; L16-W104 HydrophobicContact CG-CE3 4.4Å; L16-V108 HydrophobicContact CD1-CG2 3.3Å |
| 17 | G | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 133.3 | 167.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K23 W104 | G17-K23 PolarHBondContact O-NZ 3.34Å; G17-W104 WeakPolarHBondContact O-CZ2 3.42Å |
| 18 | E | 97.7 | Very high | 97 | Very high | 45 Ų | 45 | 30 Ų | 30 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -61.1 | 166.7 | -178.9 | -64 | -58.3 | 111.7 | 0 | 0 | 112.7 | V21 K23 R73 Q100 W104 | E18-V21 HydrophobicContact CB-CG1 3.97Å; E18-V21 VanDerWaalsContact O-CG2 3.26Å; E18-V21 WeakPolarHBondContact O-CG2 3.44Å; E18-K23 PolarHBondContact O-NZ 2.97Å; E18-R73 IonicContact OE1-NH1 3.67Å; E18-R73 PolarHBondContact OE1-NH1 3.12Å; E18-Q100 HydrophobicContact CG-CB 3.78Å; E18-Q100 HydrophobicContact CG-CG 4.05Å; E18-W104 PolarHBondContact OE1-NE1 3.09Å |
| 19 | Q | 95.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 29.3 Ų | 29.3 | 45% | 0.449 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 152.7 | 172.3 | 65.2 | 172.7 | 0.8 | 0 | 0 | 111.2 | V21 G68 Q69 | Q19-V21 PolarHBondContact O-N 2.92Å; Q19-G68 PolarHBondContact N-O 2.8Å; Q19-Q69 HydrophobicContact CB-CG 4.43Å |
| 20 | S | 95.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 27.3 Ų | 27.3 | 33% | 0.329 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 2.9 | 176.8 | 78.5 | 0 | 0 | 0 | 0 | 117.9 | G22 Y39 K124 | S20-G22 PolarHBondContact O-N 2.7Å; S20-Y39 PolarHBondContact N-OH 2.78Å; S20-K124 WeakPolarHBondContact O-CE 3.43Å; S20-K124 PolarHBondContact O-NZ 2.86Å |
| 21 | V | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -69.9 | -17.1 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 113.8 | E18 Q19 K23 V89 D91 N123 | E18-V21 HydrophobicContact CB-CG1 3.97Å; E18-V21 VanDerWaalsContact O-CG2 3.26Å; E18-V21 WeakPolarHBondContact O-CG2 3.44Å; Q19-V21 PolarHBondContact O-N 2.92Å; V21-K23 HydrophobicContact CG2-CD 4.42Å; V21-K23 HydrophobicContact CG2-CG 3.76Å; V21-V89 HydrophobicContact CB-CG1 4.21Å; V21-V89 HydrophobicContact CG2-CB 3.84Å; V21-V89 HydrophobicContact CG2-CG1 3.83Å; V21-V89 WeakPolarHBondContact CG2-O 3.39Å; V21-D91 HydrophobicContact CB-CB 4.36Å; V21-D91 HydrophobicContact CG1-CB 4.3Å; V21-N123 PolarHBondContact O-ND2 2.95Å |
| 22 | G | 98 | Very high | 97.8 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 8% | 0.082 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 102.2 | 27.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S20 S25 L26 | S20-G22 PolarHBondContact O-N 2.7Å; G22-S25 PolarHBondContact O-N 2.82Å; G22-L26 WeakPolarHBondContact O-CG 3.36Å; G22-L26 PolarHBondContact O-N 2.95Å |
| 23 | K | 98 | Very high | 97.7 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.2 | -58.6 | 174.2 | -59.2 | -173.2 | -62.4 | -81.3 | 0 | 112.1 | F15 L16 G17 E18 V21 S25 L26 I27 D65 T66 V89 | F15-K23 HydrophobicContact CB-CB 4.13Å; F15-K23 HydrophobicContact CB-CD 4.23Å; F15-K23 HydrophobicContact CB-CG 4.42Å; L16-K23 VanDerWaalsContact C-CD 3.44Å; L16-K23 WeakPolarHBondContact O-CD 3.35Å; G17-K23 PolarHBondContact O-NZ 3.34Å; E18-K23 PolarHBondContact O-NZ 2.97Å; V21-K23 HydrophobicContact CG2-CD 4.42Å; V21-K23 HydrophobicContact CG2-CG 3.76Å; K23-S25 VanDerWaalsContact C-N 3.28Å; K23-S25 PolarHBondContact O-N 3.11Å; K23-L26 WeakPolarHBondContact O-CB 3.25Å; K23-L26 PolarHBondContact O-N 3.06Å; K23-L26 VanDerWaalsContact O-N 3.13Å; K23-I27 WeakPolarHBondContact O-CG1 3.49Å; K23-I27 PolarHBondContact O-N 2.87Å; K23-D65 WeakPolarHBondContact CB-OD1 3.42Å; K23-T66 WeakPolarHBondContact CE-O 3.16Å; K23-V89 HydrophobicContact CG-CB 4.12Å; K23-V89 HydrophobicContact CG-CG2 4.07Å |
| 24 | T | 97.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 34.9 Ų | 34.9 | 29% | 0.288 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -54.7 | -44.5 | 173.9 | -43.7 | 0 | 0 | 0 | 0 | 111.4 | L26 I27 T28 T42 D65 | T24-L26 PolarHBondContact O-N 2.7Å; T24-I27 PolarHBondContact O-N 2.9Å; T24-T28 WeakPolarHBondContact O-CB 3.5Å; T24-T28 PolarHBondContact O-N 2.86Å; T24-T28 PolarHBondContact O-OG1 3.01Å; T24-T42 PolarHBondContact OG1-OG1 2.89Å; T24-D65 WeakPolarHBondContact CA-OD2 3.33Å; T24-D65 WeakPolarHBondContact CB-OD2 3.41Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.37Å; T24-D65 PolarHBondContact N-OD1 3.21Å; T24-D65 PolarHBondContact OG1-OD2 3.13Å |
| 25 | S | 98.2 | Very high | 97.5 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -37.9 | 179.6 | -49.4 | 0 | 0 | 0 | 0 | 113 | G22 K23 R29 | G22-S25 PolarHBondContact O-N 2.82Å; K23-S25 VanDerWaalsContact C-N 3.28Å; K23-S25 PolarHBondContact O-N 3.11Å; S25-R29 WeakPolarHBondContact O-CB 3.33Å; S25-R29 PolarHBondContact O-N 3.22Å |
| 26 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 174.3 | -75.9 | 169.7 | 0 | 0 | 0 | 111.2 | G22 K23 T24 R29 F30 V89 V121 N123 T152 A154 V160 | G22-L26 WeakPolarHBondContact O-CG 3.36Å; G22-L26 PolarHBondContact O-N 2.95Å; K23-L26 WeakPolarHBondContact O-CB 3.25Å; K23-L26 PolarHBondContact O-N 3.06Å; K23-L26 VanDerWaalsContact O-N 3.13Å; T24-L26 PolarHBondContact O-N 2.7Å; L26-R29 PolarHBondContact O-N 3.49Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.4Å; L26-V89 HydrophobicContact CD1-CG1 3.97Å; L26-V89 HydrophobicContact CD1-CG2 4.04Å; L26-V121 HydrophobicContact CD1-CG1 4.13Å; L26-N123 HydrophobicContact CD1-CB 4.42Å; L26-T152 HydrophobicContact CD2-CG2 4.41Å; L26-T152 WeakPolarHBondContact CD2-OG1 3.21Å; L26-A154 HydrophobicContact CD2-CB 3.93Å; L26-A154 HydrophobicContact CG-CB 4.15Å; L26-V160 HydrophobicContact CD2-CG2 3.81Å |
| 27 | I | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.4 | -52.8 | 176.8 | -65.7 | 168.8 | 0 | 0 | 0 | 109.8 | F15 K23 T24 R29 F30 M31 L48 L63 D65 | F15-I27 HydrophobicContact CB-CD1 4.16Å; F15-I27 HydrophobicContact CD1-CD1 4.11Å; F15-I27 HydrophobicContact CD1-CG1 3.99Å; F15-I27 HydrophobicContact CD2-CD1 3.65Å; F15-I27 HydrophobicContact CD2-CG1 3.97Å; F15-I27 HydrophobicContact CE1-CD1 4.5Å; F15-I27 HydrophobicContact CE1-CG1 3.93Å; F15-I27 HydrophobicContact CE2-CD1 4.1Å; F15-I27 HydrophobicContact CE2-CG1 3.93Å; F15-I27 HydrophobicContact CG-CD1 3.69Å; F15-I27 HydrophobicContact CG-CG1 4.03Å; F15-I27 HydrophobicContact CZ-CG1 3.93Å; K23-I27 WeakPolarHBondContact O-CG1 3.49Å; K23-I27 PolarHBondContact O-N 2.87Å; T24-I27 PolarHBondContact O-N 2.9Å; I27-R29 VanDerWaalsContact C-N 3.32Å; I27-R29 PolarHBondContact O-N 2.62Å; I27-F30 PolarHBondContact O-N 3.17Å; I27-F30 VanDerWaalsContact O-N 3.09Å; I27-M31 HydrophobicContact CG2-CG 3.89Å; I27-M31 WeakPolarHBondContact O-CB 3.5Å; I27-M31 WeakPolarHBondContact O-CG 3.44Å; I27-M31 PolarHBondContact O-N 3.38Å; I27-L48 HydrophobicContact CG2-CB 4.5Å; I27-L48 HydrophobicContact CG2-CD1 3.65Å; I27-L63 HydrophobicContact CG2-CB 4.48Å; I27-L63 HydrophobicContact CG2-CD1 3.93Å; I27-D65 HydrophobicContact CD1-CB 3.46Å; I27-D65 VanDerWaalsContact CD1-CB 3.46Å |
| 28 | T | 97.3 | Very high | 96.2 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | T24 F30 M31 Y32 | T24-T28 WeakPolarHBondContact O-CB 3.5Å; T24-T28 PolarHBondContact O-N 2.86Å; T24-T28 PolarHBondContact O-OG1 3.01Å; T28-F30 VanDerWaalsContact C-N 3.33Å; T28-F30 PolarHBondContact O-N 3.17Å; T28-M31 PolarHBondContact O-N 3.44Å; T28-Y32 HydrophobicContact CG2-CD2 3.97Å; T28-Y32 PolarHBondContact O-N 3.04Å |
| 29 | R | 98.1 | Very high | 95.7 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 177.1 | 176.4 | 59.1 | 74.9 | -173.8 | 7.7 | 112 | S25 L26 I27 E33 T34 A154 K155 V160 | S25-R29 WeakPolarHBondContact O-CB 3.33Å; S25-R29 PolarHBondContact O-N 3.22Å; L26-R29 PolarHBondContact O-N 3.49Å; I27-R29 VanDerWaalsContact C-N 3.32Å; I27-R29 PolarHBondContact O-N 2.62Å; R29-E33 PolarHBondContact NH1-O 3.35Å; R29-E33 WeakPolarHBondContact O-CA 3.13Å; R29-E33 PolarHBondContact O-N 3.28Å; R29-T34 VanDerWaalsContact CA-O 3.27Å; R29-T34 WeakPolarHBondContact CA-O 3.34Å; R29-T34 PolarHBondContact NE-O 3.1Å; R29-A154 PolarHBondContact NE-O 2.82Å; R29-K155 PolarHBondContact NH2-O 2.62Å; R29-V160 HydrophobicContact CB-CG1 4.33Å; R29-V160 HydrophobicContact CG-CB 4.15Å; R29-V160 HydrophobicContact CG-CG1 4.01Å; R29-V160 HydrophobicContact CG-CG2 3.92Å |
| 30 | F | 98.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 177.2 | 173.3 | -113.1 | 0 | 0 | 0 | 113.1 | L26 I27 T28 K50 M52 L61 L63 V160 F164 | L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.4Å; I27-F30 PolarHBondContact O-N 3.17Å; I27-F30 VanDerWaalsContact O-N 3.09Å; T28-F30 VanDerWaalsContact C-N 3.33Å; T28-F30 PolarHBondContact O-N 3.17Å; F30-K50 HydrophobicContact CD1-CD 4.27Å; F30-K50 HydrophobicContact CE1-CB 4.16Å; F30-K50 HydrophobicContact CE1-CD 3.75Å; F30-K50 HydrophobicContact CE1-CG 4.36Å; F30-K50 HydrophobicContact CZ-CD 3.9Å; F30-K50 HydrophobicContact CZ-CG 4.49Å; F30-K50 PolarHBondContact O-NZ 2.84Å; F30-M52 HydrophobicContact CE2-SD 4.16Å; F30-M52 HydrophobicContact CZ-CG 3.88Å; F30-M52 HydrophobicContact CZ-SD 3.56Å; F30-M52 VanDerWaalsContact CZ-SD 3.56Å; F30-L61 HydrophobicContact CE1-CD1 4.5Å; F30-L61 HydrophobicContact CZ-CD1 4.49Å; F30-L63 HydrophobicContact CD1-CD1 3.91Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; F30-V160 HydrophobicContact CB-CG1 3.87Å; F30-F164 HydrophobicContact CB-CD2 3.67Å; F30-F164 HydrophobicContact CB-CE1 4.48Å; F30-F164 HydrophobicContact CB-CE2 3.28Å; F30-F164 HydrophobicContact CB-CG 4.45Å; F30-F164 HydrophobicContact CB-CZ 3.73Å; F30-F164 AromaticContact CD1-CD1 3.66Å; F30-F164 HydrophobicContact CD1-CD1 3.66Å; F30-F164 AromaticContact CD1-CD2 3.91Å; F30-F164 HydrophobicContact CD1-CD2 3.91Å; F30-F164 AromaticContact CD1-CE1 3.53Å; F30-F164 HydrophobicContact CD1-CE1 3.53Å; F30-F164 AromaticContact CD1-CE2 3.84Å; F30-F164 HydrophobicContact CD1-CE2 3.84Å; F30-F164 AromaticContact CD1-CG 3.84Å; F30-F164 HydrophobicContact CD1-CG 3.84Å; F30-F164 AromaticContact CD1-CZ 3.62Å; F30-F164 HydrophobicContact CD1-CZ 3.62Å; F30-F164 HydrophobicContact CD2-CB 3.89Å; F30-F164 HydrophobicContact CD2-CD1 4.27Å; F30-F164 AromaticContact CD2-CD2 3.41Å; F30-F164 HydrophobicContact CD2-CD2 3.41Å; F30-F164 VanDerWaalsContact CD2-CD2 3.41Å; F30-F164 AromaticContact CD2-CE2 3.97Å; F30-F164 HydrophobicContact CD2-CE2 3.97Å; F30-F164 AromaticContact CD2-CG 3.59Å; F30-F164 HydrophobicContact CD2-CG 3.59Å; F30-F164 HydrophobicContact CE1-CB 4.42Å; F30-F164 AromaticContact CE1-CD1 3.61Å; F30-F164 HydrophobicContact CE1-CD1 3.61Å; F30-F164 HydrophobicContact CE1-CD2 4.43Å; F30-F164 AromaticContact CE1-CE1 3.86Å; F30-F164 HydrophobicContact CE1-CE1 3.86Å; F30-F164 AromaticContact CE1-CG 3.91Å; F30-F164 HydrophobicContact CE1-CG 3.91Å; F30-F164 HydrophobicContact CE1-CZ 4.39Å; F30-F164 HydrophobicContact CE2-CB 3.56Å; F30-F164 HydrophobicContact CE2-CD1 4.23Å; F30-F164 HydrophobicContact CE2-CD2 4Å; F30-F164 AromaticContact CE2-CG 3.68Å; F30-F164 HydrophobicContact CE2-CG 3.68Å; F30-F164 HydrophobicContact CG-CB 4.46Å; F30-F164 AromaticContact CG-CD1 4Å; F30-F164 HydrophobicContact CG-CD1 4Å; F30-F164 AromaticContact CG-CD2 3.36Å; F30-F164 HydrophobicContact CG-CD2 3.36Å; F30-F164 AromaticContact CG-CE1 3.99Å; F30-F164 HydrophobicContact CG-CE1 3.99Å; F30-F164 AromaticContact CG-CE2 3.42Å; F30-F164 HydrophobicContact CG-CE2 3.42Å; F30-F164 VanDerWaalsContact CG-CE2 3.42Å; F30-F164 AromaticContact CG-CG 3.68Å; F30-F164 HydrophobicContact CG-CG 3.68Å; F30-F164 AromaticContact CG-CZ 3.71Å; F30-F164 HydrophobicContact CG-CZ 3.71Å; F30-F164 HydrophobicContact CZ-CB 3.87Å; F30-F164 AromaticContact CZ-CD1 3.92Å; F30-F164 HydrophobicContact CZ-CD1 3.92Å; F30-F164 HydrophobicContact CZ-CD2 4.47Å; F30-F164 AromaticContact CZ-CG 3.84Å; F30-F164 HydrophobicContact CZ-CG 3.84Å |
| 31 | M | 97 | Very high | 95.2 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.3 | -47.6 | -176.7 | -71.3 | -60.1 | -59.8 | 0 | 0 | 111.6 | I27 T28 L48 K50 L63 | I27-M31 HydrophobicContact CG2-CG 3.89Å; I27-M31 WeakPolarHBondContact O-CB 3.5Å; I27-M31 WeakPolarHBondContact O-CG 3.44Å; I27-M31 PolarHBondContact O-N 3.38Å; T28-M31 PolarHBondContact O-N 3.44Å; M31-L48 HydrophobicContact CE-CB 4.16Å; M31-L48 HydrophobicContact CG-CB 4.4Å; M31-L48 HydrophobicContact CG-CD1 4.09Å; M31-L48 HydrophobicContact SD-CB 4.34Å; M31-K50 HydrophobicContact CE-CB 3.97Å; M31-K50 HydrophobicContact CE-CD 4.38Å; M31-K50 PolarHBondContact O-NZ 3.36Å; M31-K50 HydrophobicContact SD-CB 3.6Å; M31-K50 HydrophobicContact SD-CD 3.83Å; M31-K50 HydrophobicContact SD-CG 4.28Å; M31-L63 HydrophobicContact CG-CD1 4.13Å; M31-L63 HydrophobicContact SD-CD1 3.67Å |
| 32 | Y | 96.5 | Very high | 94.6 | Very high | 129 Ų | 129 | 61.7 Ų | 61.7 | 51% | 0.506 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -122.2 | -2.7 | -164.1 | -50.7 | -62.8 | 0 | 0 | 0 | 114.2 | T28 T34 L48 | T28-Y32 HydrophobicContact CG2-CD2 3.97Å; T28-Y32 PolarHBondContact O-N 3.04Å; Y32-T34 PolarHBondContact O-N 2.86Å; Y32-L48 HydrophobicContact CE2-CD1 4.25Å; Y32-L48 VanDerWaalsContact OH-CD2 3.27Å; Y32-L48 WeakPolarHBondContact OH-CD2 3.45Å |
| 33 | E | 96.4 | Very high | 94.1 | Very high | 115 Ų | 115 | 67.7 Ų | 67.7 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 55.1 | 29.7 | -173.2 | -59.4 | -165.3 | 161.1 | 0 | 0 | 113.6 | R29 K161 | R29-E33 PolarHBondContact NH1-O 3.35Å; R29-E33 WeakPolarHBondContact O-CA 3.13Å; R29-E33 PolarHBondContact O-N 3.28Å; E33-K161 WeakPolarHBondContact OE1-CE 3.44Å; E33-K161 IonicContact OE1-NZ 2.7Å; E33-K161 PolarHBondContact OE1-NZ 3.01Å |
| 34 | T | 96.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 45% | 0.454 | 34% | 0.344 | S | S | . | . | trans | -121 | 166.4 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | R29 Y32 | R29-T34 VanDerWaalsContact CA-O 3.27Å; R29-T34 WeakPolarHBondContact CA-O 3.34Å; R29-T34 PolarHBondContact NE-O 3.1Å; Y32-T34 PolarHBondContact O-N 2.86Å | ||
| 35 | F | 95.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | trans | -140.9 | 129.5 | 170.7 | 176.4 | -92.4 | 0 | 0 | 0 | 108.8 | N37 A154 K155 | F35-N37 WeakPolarHBondContact CE1-OD1 3.48Å; F35-A154 HydrophobicContact CD2-CB 4.21Å; F35-A154 HydrophobicContact CE2-CB 4.26Å; F35-K155 HydrophobicContact CD1-CB 4.27Å; F35-K155 HydrophobicContact CD1-CG 3.88Å; F35-K155 HydrophobicContact CD2-CB 4.11Å; F35-K155 HydrophobicContact CE1-CB 4.07Å; F35-K155 HydrophobicContact CE1-CD 4.22Å; F35-K155 HydrophobicContact CE1-CG 3.76Å; F35-K155 HydrophobicContact CE2-CB 3.91Å; F35-K155 HydrophobicContact CE2-CG 4.49Å; F35-K155 HydrophobicContact CG-CB 4.29Å; F35-K155 HydrophobicContact CG-CG 4.31Å; F35-K155 HydrophobicContact CZ-CB 3.89Å; F35-K155 HydrophobicContact CZ-CG 4.09Å | ||
| 36 | D | 91.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 69.8 Ų | 69.8 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | trans | -90.7 | 128.1 | 172.6 | -163.8 | -16.9 | 0 | 0 | 0 | 109.6 | L38 | D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact OD1-N 3.05Å | ||
| 37 | N | 88.7 | Confident | 93.3 | Very high | 122 Ų | 122 | 73.7 Ų | 73.7 | 65% | 0.652 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -78.3 | -19.4 | 177 | -68 | -64.5 | 0 | 0 | 0 | 112.2 | F35 | F35-N37 WeakPolarHBondContact CE1-OD1 3.48Š|
| 38 | L | 89.1 | Confident | 93.2 | Very high | 126 Ų | 126 | 75.3 Ų | 75.3 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -85 | 115.4 | 177 | -62.7 | 175.7 | 0 | 0 | 0 | 109.2 | D36 Q40 | D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact OD1-N 3.05Å; L38-Q40 PolarHBondContact O-N 3.22Å |
| 39 | Y | 87.1 | Confident | 93.2 | Very high | 134 Ų | 134 | 75.5 Ų | 75.5 | 53% | 0.525 | 38% | 0.378 | S | S | . | . | trans | -70.6 | 121.4 | 172.8 | 173.8 | -106.6 | 0 | 0 | 0 | 110.1 | S20 A41 | S20-Y39 PolarHBondContact N-OH 2.78Å; Y39-A41 HydrophobicContact CE1-CB 4.11Å | ||
| 40 | Q | 88.9 | Confident | 93.1 | Very high | 148 Ų | 148 | 76 Ų | 76 | 69% | 0.692 | 38% | 0.382 | S | S | * | . | trans | -117.7 | 126.3 | 167.5 | -64.7 | -172.7 | -16.3 | 0 | 0 | 108.5 | L38 T42 | L38-Q40 PolarHBondContact O-N 3.22Å; Q40-T42 PolarHBondContact O-N 2.98Å | ||
| 41 | A | 91.1 | Very high | 93 | Very high | 41 Ų | 41 | 77 Ų | 77 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | trans | -70.7 | 124.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y39 I43 | Y39-A41 HydrophobicContact CE1-CB 4.11Å; A41-I43 PolarHBondContact O-N 3.36Å | ||
| 42 | T | 85.6 | Confident | 92.9 | Very high | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.184 | 39% | 0.389 | C | S | . | . | trans | -60.7 | 133.2 | 172.6 | -40.4 | 0 | 0 | 0 | 0 | 109.9 | T24 Q40 A67 | T24-T42 PolarHBondContact OG1-OG1 2.89Å; Q40-T42 PolarHBondContact O-N 2.98Å; T42-A67 WeakPolarHBondContact O-CB 3.4Å | ||
| 43 | I | 87.9 | Confident | 92.8 | Very high | 134 Ų | 134 | 79.4 Ų | 79.4 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | trans | -106.2 | 123.3 | 177.4 | -64.1 | 178.2 | 0 | 0 | 0 | 107.5 | A41 I45 F72 | A41-I43 PolarHBondContact O-N 3.36Å; I43-I45 PolarHBondContact O-N 3.15Å; I43-F72 HydrophobicContact CB-CZ 4.37Å; I43-F72 HydrophobicContact CG2-CE1 4.15Å; I43-F72 HydrophobicContact CG2-CE2 4.44Å; I43-F72 HydrophobicContact CG2-CZ 3.73Å | ||
| 44 | G | 91.1 | Very high | 92.4 | Very high | 11 Ų | 11 | 75.4 Ų | 75.4 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 66.1 | -125.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A67 | G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.05Å |
| 45 | I | 92.8 | Very high | 91.8 | Very high | 36 Ų | 36 | 81.7 Ų | 81.7 | 19% | 0.185 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 133.4 | -176.6 | -64.2 | 173.9 | 0 | 0 | 0 | 108.5 | I43 W64 D65 T66 L75 Y79 | I43-I45 PolarHBondContact O-N 3.15Å; I45-W64 HydrophobicContact CG2-CE3 3.86Å; I45-D65 CarbonylContact C-O 3.49Å; I45-D65 VanDerWaalsContact CA-O 3.25Å; I45-D65 WeakPolarHBondContact CA-O 3.48Å; I45-D65 WeakPolarHBondContact CG2-O 3.32Å; I45-T66 HydrophobicContact CD1-CG2 4.45Å; I45-T66 HydrophobicContact CG1-CG2 4.32Å; I45-L75 HydrophobicContact CD1-CB 3.78Å; I45-Y79 HydrophobicContact CD1-CD1 4.44Å; I45-Y79 HydrophobicContact CD1-CD2 3.24Å; I45-Y79 HydrophobicContact CD1-CE1 4.36Å; I45-Y79 HydrophobicContact CD1-CE2 3.15Å; I45-Y79 HydrophobicContact CD1-CG 3.9Å; I45-Y79 HydrophobicContact CG1-CE2 4.41Å; I45-Y79 HydrophobicContact CG2-CD1 4.16Å; I45-Y79 HydrophobicContact CG2-CE1 3.91Å |
| 46 | D | 94.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 156.6 | 176.8 | -164.2 | 13.1 | 0 | 0 | 0 | 111.1 | W64 D65 | D46-W64 WeakPolarHBondContact O-CA 3.13Å; D46-D65 HydrophobicContact CB-CB 4.25Å; D46-D65 PolarHBondContact N-O 3.31Å; D46-D65 PolarHBondContact O-N 2.98Å |
| 47 | F | 96.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 83.2 Ų | 83.2 | 36% | 0.36 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.7 | -175 | 173.5 | -102.7 | 0 | 0 | 0 | 111.8 | Q62 L63 W64 | F47-Q62 HydrophobicContact CE2-CB 3.81Å; F47-Q62 HydrophobicContact CE2-CG 3.87Å; F47-Q62 HydrophobicContact CZ-CB 4.43Å; F47-Q62 HydrophobicContact CZ-CG 4.01Å; F47-L63 WeakPolarHBondContact CA-O 3.3Å; F47-W64 HydrophobicContact CB-CE3 3.92Å; F47-W64 HydrophobicContact CB-CH2 4.25Å; F47-W64 HydrophobicContact CB-CZ3 3.64Å; F47-W64 AromaticContact CD2-CD2 3.89Å; F47-W64 HydrophobicContact CD2-CD2 3.89Å; F47-W64 AromaticContact CD2-CE2 3.76Å; F47-W64 AromaticContact CD2-CE3 3.89Å; F47-W64 HydrophobicContact CD2-CE3 3.89Å; F47-W64 AromaticContact CD2-CH2 3.72Å; F47-W64 HydrophobicContact CD2-CH2 3.72Å; F47-W64 AromaticContact CD2-CZ2 3.7Å; F47-W64 HydrophobicContact CD2-CZ2 3.7Å; F47-W64 AromaticContact CD2-CZ3 3.8Å; F47-W64 HydrophobicContact CD2-CZ3 3.8Å; F47-W64 HydrophobicContact CE2-CH2 4.39Å; F47-W64 HydrophobicContact CE2-CZ2 4.03Å; F47-W64 HydrophobicContact CG-CE3 4.35Å; F47-W64 HydrophobicContact CG-CH2 4.13Å; F47-W64 HydrophobicContact CG-CZ3 4.01Å |
| 48 | L | 97 | Very high | 91.3 | Very high | 37 Ų | 37 | 80.2 Ų | 80.2 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.8 | 172.4 | -69 | 172.6 | 0 | 0 | 0 | 110.2 | I27 M31 Y32 L63 | I27-L48 HydrophobicContact CG2-CB 4.5Å; I27-L48 HydrophobicContact CG2-CD1 3.65Å; M31-L48 HydrophobicContact CE-CB 4.16Å; M31-L48 HydrophobicContact CG-CB 4.4Å; M31-L48 HydrophobicContact CG-CD1 4.09Å; M31-L48 HydrophobicContact SD-CB 4.34Å; Y32-L48 HydrophobicContact CE2-CD1 4.25Å; Y32-L48 VanDerWaalsContact OH-CD2 3.27Å; Y32-L48 WeakPolarHBondContact OH-CD2 3.45Å; L48-L63 HydrophobicContact CB-CB 4.49Å; L48-L63 PolarHBondContact N-O 3.1Å; L48-L63 PolarHBondContact O-N 3.37Å |
| 49 | S | 97.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 74.2 Ų | 74.2 | 25% | 0.252 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.2 | 176.9 | -174 | 0 | 0 | 0 | 0 | 111.8 | R60 L61 | S49-R60 WeakPolarHBondContact OG-CD 3.31Å; S49-R60 VanDerWaalsContact OG-CG 3.22Å; S49-R60 WeakPolarHBondContact OG-CG 3.31Å; S49-R60 PolarHBondContact OG-NE 3.3Å; S49-L61 CarbonylContact C-O 3.54Å; S49-L61 VanDerWaalsContact CA-O 3.22Å; S49-L61 WeakPolarHBondContact CA-O 3.49Å; S49-L61 WeakPolarHBondContact CB-O 3.47Å; S49-L61 PolarHBondContact OG-O 3.43Å |
| 50 | K | 96.1 | Very high | 92 | Very high | 61 Ų | 61 | 72.5 Ų | 72.5 | 27% | 0.265 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 135.2 | 179.4 | -167.7 | 158.3 | -174.9 | 155.1 | 0 | 110.9 | F30 M31 L61 | F30-K50 HydrophobicContact CD1-CD 4.27Å; F30-K50 HydrophobicContact CE1-CB 4.16Å; F30-K50 HydrophobicContact CE1-CD 3.75Å; F30-K50 HydrophobicContact CE1-CG 4.36Å; F30-K50 HydrophobicContact CZ-CD 3.9Å; F30-K50 HydrophobicContact CZ-CG 4.49Å; F30-K50 PolarHBondContact O-NZ 2.84Å; M31-K50 HydrophobicContact CE-CB 3.97Å; M31-K50 HydrophobicContact CE-CD 4.38Å; M31-K50 PolarHBondContact O-NZ 3.36Å; M31-K50 HydrophobicContact SD-CB 3.6Å; M31-K50 HydrophobicContact SD-CD 3.83Å; M31-K50 HydrophobicContact SD-CG 4.28Å; K50-L61 PolarHBondContact N-O 3.35Å; K50-L61 PolarHBondContact O-N 2.67Å |
| 51 | T | 96.4 | Very high | 92.5 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.1 | 167.1 | -58.1 | 0 | 0 | 0 | 0 | 108.3 | Y53 T58 I59 | T51-Y53 HydrophobicContact CG2-CE1 4.42Å; T51-Y53 HydrophobicContact CG2-CE2 4.4Å; T51-T58 HydrophobicContact CG2-CG2 3.27Å; T51-I59 CarbonylContact C-O 3.56Å; T51-I59 WeakPolarHBondContact CA-O 3.2Å |
| 52 | M | 95.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140 | 173 | -80 | -172.7 | 66.7 | 0 | 0 | 109.9 | F30 L54 T58 I59 L61 F164 A168 | F30-M52 HydrophobicContact CE2-SD 4.16Å; F30-M52 HydrophobicContact CZ-CG 3.88Å; F30-M52 HydrophobicContact CZ-SD 3.56Å; F30-M52 VanDerWaalsContact CZ-SD 3.56Å; M52-L54 HydrophobicContact CE-CD2 4.39Å; M52-T58 WeakPolarHBondContact O-CA 3.37Å; M52-I59 HydrophobicContact CB-CG1 3.93Å; M52-I59 PolarHBondContact N-O 3.48Å; M52-I59 PolarHBondContact O-N 3.06Å; M52-L61 HydrophobicContact CG-CD1 4.29Å; M52-L61 HydrophobicContact CG-CG 4.44Å; M52-L61 HydrophobicContact SD-CD1 3.31Å; M52-L61 WeakPolarHBondContact SD-CD1 3.36Å; M52-L61 HydrophobicContact SD-CG 3.98Å; M52-F164 HydrophobicContact SD-CB 4.29Å; M52-A168 HydrophobicContact CE-CB 4.08Å; M52-A168 HydrophobicContact SD-CB 4.3Å |
| 53 | Y | 92.6 | Very high | 93.4 | Very high | 181 Ų | 181 | 64 Ų | 64 | 71% | 0.71 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.4 | 174.4 | -55.8 | -85.5 | 0 | 0 | 0 | 107.7 | T51 T58 | T51-Y53 HydrophobicContact CG2-CE1 4.42Å; T51-Y53 HydrophobicContact CG2-CE2 4.4Å; Y53-T58 HydrophobicContact CD1-CG2 3.84Å; Y53-T58 WeakPolarHBondContact CD1-OG1 3.11Å; Y53-T58 HydrophobicContact CE1-CG2 3.8Å |
| 54 | L | 89.2 | Confident | 93.9 | Very high | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | trans | -94.1 | 170.1 | 167 | -57.1 | 177.6 | 0 | 0 | 0 | 108.3 | M52 D56 R57 I59 A168 V172 | M52-L54 HydrophobicContact CE-CD2 4.39Å; L54-D56 VanDerWaalsContact C-N 3.28Å; L54-D56 PolarHBondContact O-N 2.97Å; L54-R57 CarbonylContact C-O 3.44Å; L54-R57 WeakPolarHBondContact CA-O 3.44Å; L54-R57 HydrophobicContact CB-CG 4.4Å; L54-R57 WeakPolarHBondContact CB-O 3.25Å; L54-R57 HydrophobicContact CD1-CG 4.38Å; L54-R57 PolarHBondContact N-O 3.33Å; L54-I59 HydrophobicContact CD1-CD1 4.12Å; L54-I59 HydrophobicContact CD1-CG2 4.39Å; L54-A168 HydrophobicContact CD1-CB 4.27Å; L54-A168 HydrophobicContact CD2-CB 4.06Å; L54-V172 HydrophobicContact CD1-CB 4.34Å; L54-V172 HydrophobicContact CD1-CG1 4.42Å; L54-V172 HydrophobicContact CD1-CG2 3.79Å | ||
| 55 | E | 83.6 | Confident | 94.2 | Very high | 207 Ų | 207 | 59.8 Ų | 59.8 | 97% | 0.967 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -58.1 | -38.9 | -172.6 | -65.3 | -179.1 | 179.1 | 0 | 0 | 113.2 | ||
| 56 | D | 82.6 | Confident | 94.2 | Very high | 112 Ų | 112 | 58.1 Ų | 58.1 | 60% | 0.599 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -109.3 | -12.5 | -173.8 | 65.8 | -17.1 | 0 | 0 | 0 | 113.9 | L54 | L54-D56 VanDerWaalsContact C-N 3.28Å; L54-D56 PolarHBondContact O-N 2.97Å |
| 57 | R | 89 | Confident | 94 | Very high | 70 Ų | 70 | 54.1 Ų | 54.1 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | trans | -156 | 156.6 | -173.4 | 72.3 | -166 | 86.8 | -179.8 | 14.8 | 113.9 | L54 I59 S176 | L54-R57 CarbonylContact C-O 3.44Å; L54-R57 WeakPolarHBondContact CA-O 3.44Å; L54-R57 HydrophobicContact CB-CG 4.4Å; L54-R57 WeakPolarHBondContact CB-O 3.25Å; L54-R57 HydrophobicContact CD1-CG 4.38Å; L54-R57 PolarHBondContact N-O 3.33Å; R57-I59 HydrophobicContact CG-CG2 4.06Å; R57-S176 PolarHBondContact NH1-OG 3.44Å; R57-S176 PolarHBondContact NH2-OG 2.94Å | ||
| 58 | T | 92.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 36% | 0.362 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136 | 169 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | L8 T51 M52 Y53 | L8-T58 HydrophobicContact CD1-CG2 3.7Å; L8-T58 WeakPolarHBondContact CD1-O 3.22Å; T51-T58 HydrophobicContact CG2-CG2 3.27Å; M52-T58 WeakPolarHBondContact O-CA 3.37Å; Y53-T58 HydrophobicContact CD1-CG2 3.84Å; Y53-T58 WeakPolarHBondContact CD1-OG1 3.11Å; Y53-T58 HydrophobicContact CE1-CG2 3.8Å |
| 59 | I | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 161.2 | 175.4 | 68.4 | 170 | 0 | 0 | 0 | 110.3 | F11 T51 M52 L54 R57 L61 A168 V172 | F11-I59 HydrophobicContact CD2-CB 4.33Å; F11-I59 HydrophobicContact CD2-CD1 4.07Å; F11-I59 HydrophobicContact CE2-CB 4.37Å; F11-I59 HydrophobicContact CE2-CD1 4.34Å; F11-I59 HydrophobicContact CE2-CG2 4.11Å; T51-I59 CarbonylContact C-O 3.56Å; T51-I59 WeakPolarHBondContact CA-O 3.2Å; M52-I59 HydrophobicContact CB-CG1 3.93Å; M52-I59 PolarHBondContact N-O 3.48Å; M52-I59 PolarHBondContact O-N 3.06Å; L54-I59 HydrophobicContact CD1-CD1 4.12Å; L54-I59 HydrophobicContact CD1-CG2 4.39Å; R57-I59 HydrophobicContact CG-CG2 4.06Å; I59-L61 HydrophobicContact CD1-CD2 3.72Å; I59-L61 HydrophobicContact CD1-CG 4.35Å; I59-L61 HydrophobicContact CG1-CD2 4.46Å; I59-A168 HydrophobicContact CD1-CB 3.63Å; I59-V172 HydrophobicContact CD1-CG2 4.45Å; I59-V172 HydrophobicContact CG2-CG2 3.97Å |
| 60 | R | 97 | Very high | 92.2 | Very high | 99 Ų | 99 | 57 Ų | 57 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.7 | 170.3 | 175.8 | 161.1 | -99.4 | -172.1 | -11.7 | 110.5 | L8 Q9 K10 F11 S49 | L8-R60 HydrophobicContact CD2-CB 3.72Å; L8-R60 HydrophobicContact CG-CB 4.07Å; Q9-R60 PolarHBondContact O-N 3.3Å; K10-R60 CarbonylContact C-O 3.6Å; K10-R60 VanDerWaalsContact CA-O 3.3Å; K10-R60 WeakPolarHBondContact CA-O 3.28Å; K10-R60 HydrophobicContact CG-CB 4.3Å; F11-R60 PolarHBondContact N-O 3.11Å; S49-R60 WeakPolarHBondContact OG-CD 3.31Å; S49-R60 VanDerWaalsContact OG-CG 3.22Å; S49-R60 WeakPolarHBondContact OG-CG 3.31Å; S49-R60 PolarHBondContact OG-NE 3.3Å |
| 61 | L | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.1 | 169.6 | -59.9 | -169 | 0 | 0 | 0 | 110.1 | F11 L13 F30 S49 K50 M52 I59 L63 F164 | F11-L61 HydrophobicContact CB-CD2 3.97Å; F11-L61 CarbonylContact O-C 3.47Å; F11-L61 WeakPolarHBondContact O-CA 3.42Å; L13-L61 HydrophobicContact CD1-CD2 4.01Å; L13-L61 HydrophobicContact CD2-CD1 4.18Å; F30-L61 HydrophobicContact CE1-CD1 4.5Å; F30-L61 HydrophobicContact CZ-CD1 4.49Å; S49-L61 CarbonylContact C-O 3.54Å; S49-L61 VanDerWaalsContact CA-O 3.22Å; S49-L61 WeakPolarHBondContact CA-O 3.49Å; S49-L61 WeakPolarHBondContact CB-O 3.47Å; S49-L61 PolarHBondContact OG-O 3.43Å; K50-L61 PolarHBondContact N-O 3.35Å; K50-L61 PolarHBondContact O-N 2.67Å; M52-L61 HydrophobicContact CG-CD1 4.29Å; M52-L61 HydrophobicContact CG-CG 4.44Å; M52-L61 HydrophobicContact SD-CD1 3.31Å; M52-L61 WeakPolarHBondContact SD-CD1 3.36Å; M52-L61 HydrophobicContact SD-CG 3.98Å; I59-L61 HydrophobicContact CD1-CD2 3.72Å; I59-L61 HydrophobicContact CD1-CG 4.35Å; I59-L61 HydrophobicContact CG1-CD2 4.46Å; L61-L63 HydrophobicContact CB-CD2 3.9Å; L61-L63 HydrophobicContact CD1-CD2 4.47Å; L61-F164 HydrophobicContact CD1-CD1 4.03Å |
| 62 | Q | 98.2 | Very high | 91.7 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.8 | 173.4 | -77.6 | -171.7 | -29.9 | 0 | 0 | 107.1 | F11 K12 L13 F47 | F11-Q62 PolarHBondContact O-N 2.9Å; K12-Q62 CarbonylContact C-O 3.6Å; K12-Q62 WeakPolarHBondContact CA-O 3.47Å; K12-Q62 HydrophobicContact CG-CB 4Å; L13-Q62 PolarHBondContact N-O 2.88Å; F47-Q62 HydrophobicContact CE2-CB 3.81Å; F47-Q62 HydrophobicContact CE2-CG 3.87Å; F47-Q62 HydrophobicContact CZ-CB 4.43Å; F47-Q62 HydrophobicContact CZ-CG 4.01Å |
| 63 | L | 98.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.5 | -171.9 | -47.5 | -177.8 | 0 | 0 | 0 | 108.6 | L13 F15 I27 F30 M31 F47 L48 L61 F164 | L13-L63 HydrophobicContact CB-CD2 4.04Å; L13-L63 HydrophobicContact CD2-CD2 3.97Å; F15-L63 HydrophobicContact CE2-CB 4.47Å; F15-L63 HydrophobicContact CE2-CD2 4.23Å; I27-L63 HydrophobicContact CG2-CB 4.48Å; I27-L63 HydrophobicContact CG2-CD1 3.93Å; F30-L63 HydrophobicContact CD1-CD1 3.91Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; M31-L63 HydrophobicContact CG-CD1 4.13Å; M31-L63 HydrophobicContact SD-CD1 3.67Å; F47-L63 WeakPolarHBondContact CA-O 3.3Å; L48-L63 HydrophobicContact CB-CB 4.49Å; L48-L63 PolarHBondContact N-O 3.1Å; L48-L63 PolarHBondContact O-N 3.37Å; L61-L63 HydrophobicContact CB-CD2 3.9Å; L61-L63 HydrophobicContact CD1-CD2 4.47Å; L63-F164 HydrophobicContact CD1-CE1 4.05Å; L63-F164 HydrophobicContact CD2-CD1 4.48Å; L63-F164 HydrophobicContact CD2-CE1 3.84Å |
| 64 | W | 97.7 | Very high | 91.5 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 103.2 | 175 | -64.6 | 102.9 | 0 | 0 | 0 | 108.9 | L13 V14 F15 I45 D46 F47 Y79 | L13-W64 PolarHBondContact O-N 3.14Å; V14-W64 HydrophobicContact CB-CB 4.45Å; V14-W64 HydrophobicContact CG2-CB 4.37Å; F15-W64 PolarHBondContact N-O 3.32Å; I45-W64 HydrophobicContact CG2-CE3 3.86Å; D46-W64 WeakPolarHBondContact O-CA 3.13Å; F47-W64 HydrophobicContact CB-CE3 3.92Å; F47-W64 HydrophobicContact CB-CH2 4.25Å; F47-W64 HydrophobicContact CB-CZ3 3.64Å; F47-W64 AromaticContact CD2-CD2 3.89Å; F47-W64 HydrophobicContact CD2-CD2 3.89Å; F47-W64 AromaticContact CD2-CE2 3.76Å; F47-W64 AromaticContact CD2-CE3 3.89Å; F47-W64 HydrophobicContact CD2-CE3 3.89Å; F47-W64 AromaticContact CD2-CH2 3.72Å; F47-W64 HydrophobicContact CD2-CH2 3.72Å; F47-W64 AromaticContact CD2-CZ2 3.7Å; F47-W64 HydrophobicContact CD2-CZ2 3.7Å; F47-W64 AromaticContact CD2-CZ3 3.8Å; F47-W64 HydrophobicContact CD2-CZ3 3.8Å; F47-W64 HydrophobicContact CE2-CH2 4.39Å; F47-W64 HydrophobicContact CE2-CZ2 4.03Å; F47-W64 HydrophobicContact CG-CE3 4.35Å; F47-W64 HydrophobicContact CG-CH2 4.13Å; F47-W64 HydrophobicContact CG-CZ3 4.01Å; W64-Y79 HydrophobicContact CB-CD1 4.45Å; W64-Y79 AromaticContact CD2-CD1 3.6Å; W64-Y79 HydrophobicContact CD2-CD1 3.6Å; W64-Y79 AromaticContact CD2-CE1 3.94Å; W64-Y79 HydrophobicContact CD2-CE1 3.94Å; W64-Y79 AromaticContact CE3-CD1 3.54Å; W64-Y79 HydrophobicContact CE3-CD1 3.54Å; W64-Y79 AromaticContact CE3-CE1 3.41Å; W64-Y79 HydrophobicContact CE3-CE1 3.41Å; W64-Y79 VanDerWaalsContact CE3-CE1 3.41Å; W64-Y79 HydrophobicContact CG-CD1 4.03Å; W64-Y79 HydrophobicContact CH2-CD1 4.4Å; W64-Y79 AromaticContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CZ2-CD1 4.46Å; W64-Y79 HydrophobicContact CZ2-CE1 4.39Å; W64-Y79 AromaticContact CZ3-CD1 3.97Å; W64-Y79 HydrophobicContact CZ3-CD1 3.97Å; W64-Y79 AromaticContact CZ3-CE1 3.4Å; W64-Y79 HydrophobicContact CZ3-CE1 3.4Å |
| 65 | D | 97 | Very high | 91.6 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.2 | 174.7 | -169.4 | 22.1 | 0 | 0 | 0 | 109.5 | K23 T24 I27 I45 D46 | K23-D65 WeakPolarHBondContact CB-OD1 3.42Å; T24-D65 WeakPolarHBondContact CA-OD2 3.33Å; T24-D65 WeakPolarHBondContact CB-OD2 3.41Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.37Å; T24-D65 PolarHBondContact N-OD1 3.21Å; T24-D65 PolarHBondContact OG1-OD2 3.13Å; I27-D65 HydrophobicContact CD1-CB 3.46Å; I27-D65 VanDerWaalsContact CD1-CB 3.46Å; I45-D65 CarbonylContact C-O 3.49Å; I45-D65 VanDerWaalsContact CA-O 3.25Å; I45-D65 WeakPolarHBondContact CA-O 3.48Å; I45-D65 WeakPolarHBondContact CG2-O 3.32Å; D46-D65 HydrophobicContact CB-CB 4.25Å; D46-D65 PolarHBondContact N-O 3.31Å; D46-D65 PolarHBondContact O-N 2.98Å |
| 66 | T | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.9 | -179 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | V14 F15 L16 K23 I45 G68 I76 | V14-T66 HydrophobicContact CG2-CG2 3.66Å; F15-T66 WeakPolarHBondContact O-CB 3.4Å; F15-T66 WeakPolarHBondContact O-CG2 3.45Å; F15-T66 PolarHBondContact O-OG1 3.09Å; L16-T66 HydrophobicContact CD2-CG2 4.09Å; K23-T66 WeakPolarHBondContact CE-O 3.16Å; I45-T66 HydrophobicContact CD1-CG2 4.45Å; I45-T66 HydrophobicContact CG1-CG2 4.32Å; T66-G68 PolarHBondContact O-N 3.24Å; T66-I76 HydrophobicContact CG2-CG1 4.34Å |
| 67 | A | 90.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | trans | -64.6 | 130.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T42 G44 Q69 F72 | T42-A67 WeakPolarHBondContact O-CB 3.4Å; G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.05Å; A67-Q69 PolarHBondContact O-N 3.19Å; A67-F72 HydrophobicContact CB-CB 3.87Å; A67-F72 HydrophobicContact CB-CD2 3.46Å; A67-F72 VanDerWaalsContact CB-CD2 3.46Å; A67-F72 HydrophobicContact CB-CE2 4.32Å; A67-F72 HydrophobicContact CB-CG 3.93Å | ||
| 68 | G | 79.6 | Confident | 93 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | -83.5 | 5.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q19 T66 | Q19-G68 PolarHBondContact N-O 2.8Å; T66-G68 PolarHBondContact O-N 3.24Å | ||
| 69 | Q | 88 | Confident | 93.1 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -84.1 | 139.8 | 179.3 | -61 | -178.7 | 54.9 | 0 | 0 | 110.5 | Q19 A67 R71 F72 | Q19-Q69 HydrophobicContact CB-CG 4.43Å; A67-Q69 PolarHBondContact O-N 3.19Å; Q69-R71 VanDerWaalsContact C-N 3.28Å; Q69-R71 HydrophobicContact CB-CG 4.2Å; Q69-R71 PolarHBondContact O-N 3Å; Q69-F72 HydrophobicContact CB-CD2 3.98Å; Q69-F72 HydrophobicContact CB-CE2 4.4Å; Q69-F72 PolarHBondContact O-N 2.93Å; Q69-F72 VanDerWaalsContact O-N 3.08Å |
| 70 | E | 84.2 | Confident | 93.2 | Very high | 157 Ų | 157 | 49 Ų | 49 | 73% | 0.734 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -52.6 | -43.2 | -178.3 | 177.2 | -85.4 | 172.9 | 0 | 0 | 112.8 | F72 R73 | E70-F72 PolarHBondContact O-N 3.38Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 WeakPolarHBondContact O-CG 3.38Å; E70-R73 PolarHBondContact O-N 2.85Å |
| 71 | R | 90.9 | Very high | 93.1 | Very high | 181 Ų | 181 | 49.7 Ų | 49.7 | 68% | 0.683 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -58.2 | -16 | -180 | 71 | -178.4 | -64.8 | 172.4 | 2.3 | 115.8 | Q69 | Q69-R71 VanDerWaalsContact C-N 3.28Å; Q69-R71 HydrophobicContact CB-CG 4.2Å; Q69-R71 PolarHBondContact O-N 3Å |
| 72 | F | 91.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 54 Ų | 54 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -107.4 | -1.5 | 178.2 | -60 | -62.7 | 0 | 0 | 0 | 113.1 | I43 A67 Q69 E70 S74 L75 | I43-F72 HydrophobicContact CB-CZ 4.37Å; I43-F72 HydrophobicContact CG2-CE1 4.15Å; I43-F72 HydrophobicContact CG2-CE2 4.44Å; I43-F72 HydrophobicContact CG2-CZ 3.73Å; A67-F72 HydrophobicContact CB-CB 3.87Å; A67-F72 HydrophobicContact CB-CD2 3.46Å; A67-F72 VanDerWaalsContact CB-CD2 3.46Å; A67-F72 HydrophobicContact CB-CE2 4.32Å; A67-F72 HydrophobicContact CB-CG 3.93Å; Q69-F72 HydrophobicContact CB-CD2 3.98Å; Q69-F72 HydrophobicContact CB-CE2 4.4Å; Q69-F72 PolarHBondContact O-N 2.93Å; Q69-F72 VanDerWaalsContact O-N 3.08Å; E70-F72 PolarHBondContact O-N 3.38Å; F72-S74 PolarHBondContact O-N 2.86Å; F72-L75 HydrophobicContact CD1-CD1 4.42Å; F72-L75 WeakPolarHBondContact O-CB 3.43Å; F72-L75 PolarHBondContact O-N 3.05Å; F72-L75 VanDerWaalsContact O-N 3.1Å |
| 73 | R | 90.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -61.2 | -29 | -175.3 | -73.8 | -172.2 | 86.7 | 106.5 | 4.6 | 113.7 | E18 E70 L75 I76 P77 W104 D107 | E18-R73 IonicContact OE1-NH1 3.67Å; E18-R73 PolarHBondContact OE1-NH1 3.12Å; E70-R73 WeakPolarHBondContact O-CB 3.22Å; E70-R73 WeakPolarHBondContact O-CG 3.38Å; E70-R73 PolarHBondContact O-N 2.85Å; R73-L75 PolarHBondContact O-N 2.99Å; R73-L75 VanDerWaalsContact O-N 3.16Å; R73-I76 HydrophobicContact CG-CD1 4.42Å; R73-I76 PolarHBondContact O-N 3.29Å; R73-I76 VanDerWaalsContact O-N 3.14Å; R73-P77 WeakPolarHBondContact O-CD 3.49Å; R73-W104 HydrophobicContact CG-CH2 4.41Å; R73-W104 VanDerWaalsContact NH2-CH2 3.33Å; R73-W104 VanDerWaalsContact NH2-CZ3 3.27Å; R73-D107 IonicContact NH2-OD2 3.69Å; R73-D107 PolarHBondContact NH2-OD2 3.43Å |
| 74 | S | 92.9 | Very high | 92.7 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 73% | 0.734 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.3 | 177.8 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | F72 | F72-S74 PolarHBondContact O-N 2.86Š|
| 75 | L | 92.2 | Very high | 92.8 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -80.5 | -25.8 | 178 | -59.6 | 176.1 | 0 | 0 | 0 | 112.7 | I45 F72 R73 S78 Y79 | I45-L75 HydrophobicContact CD1-CB 3.78Å; F72-L75 HydrophobicContact CD1-CD1 4.42Å; F72-L75 WeakPolarHBondContact O-CB 3.43Å; F72-L75 PolarHBondContact O-N 3.05Å; F72-L75 VanDerWaalsContact O-N 3.1Å; R73-L75 PolarHBondContact O-N 2.99Å; R73-L75 VanDerWaalsContact O-N 3.16Å; L75-S78 PolarHBondContact O-OG 2.84Å; L75-S78 VanDerWaalsContact O-OG 3.13Å; L75-Y79 WeakPolarHBondContact O-CD2 3.34Å; L75-Y79 WeakPolarHBondContact O-CE2 3.48Å |
| 76 | I | 94.8 | Very high | 92.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | -166.7 | -63.8 | 177.1 | 0 | 0 | 0 | 114.3 | L16 T66 R73 S78 Y79 I80 W104 | L16-I76 HydrophobicContact CD2-CG2 3.46Å; L16-I76 VanDerWaalsContact CD2-CG2 3.46Å; T66-I76 HydrophobicContact CG2-CG1 4.34Å; R73-I76 HydrophobicContact CG-CD1 4.42Å; R73-I76 PolarHBondContact O-N 3.29Å; R73-I76 VanDerWaalsContact O-N 3.14Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.24Å; I76-S78 VanDerWaalsContact O-N 3.15Å; I76-Y79 PolarHBondContact O-N 3.39Å; I76-I80 HydrophobicContact CG2-CD1 3.58Å; I76-I80 HydrophobicContact CG2-CG1 3.8Å; I76-I80 PolarHBondContact O-N 3.36Å; I76-I80 VanDerWaalsContact O-N 3.13Å; I76-W104 HydrophobicContact CD1-CH2 3.51Å; I76-W104 HydrophobicContact CD1-CZ3 3.61Å; I76-W104 HydrophobicContact CG2-CZ3 4.32Å |
| 77 | P | 95.5 | Very high | 93.1 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -49.9 | -43.4 | -175.3 | -34.4 | 39.1 | 0 | 0 | 0 | 114.9 | R73 Y79 I80 R81 E111 | R73-P77 WeakPolarHBondContact O-CD 3.49Å; P77-Y79 VanDerWaalsContact C-N 3.29Å; P77-Y79 PolarHBondContact O-N 3.41Å; P77-I80 PolarHBondContact O-N 3.19Å; P77-R81 WeakPolarHBondContact O-CG 3.48Å; P77-R81 PolarHBondContact O-N 3.08Å; P77-E111 HydrophobicContact CB-CG 4.19Å |
| 78 | S | 94.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.9 | -32.1 | 179.7 | 52.5 | 0 | 0 | 0 | 0 | 113.6 | L75 I76 D82 | L75-S78 PolarHBondContact O-OG 2.84Å; L75-S78 VanDerWaalsContact O-OG 3.13Å; I76-S78 VanDerWaalsContact C-N 3.3Å; I76-S78 PolarHBondContact O-N 3.24Å; I76-S78 VanDerWaalsContact O-N 3.15Å; S78-D82 PolarHBondContact O-N 3.44Å |
| 79 | Y | 95.2 | Very high | 94.4 | Very high | 65 Ų | 65 | 50.1 Ų | 50.1 | 26% | 0.255 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -80.8 | -31.4 | 179.6 | -64.3 | -94.2 | 0 | 0 | 0 | 111.9 | I45 W64 L75 I76 P77 D82 S83 | I45-Y79 HydrophobicContact CD1-CD1 4.44Å; I45-Y79 HydrophobicContact CD1-CD2 3.24Å; I45-Y79 HydrophobicContact CD1-CE1 4.36Å; I45-Y79 HydrophobicContact CD1-CE2 3.15Å; I45-Y79 HydrophobicContact CD1-CG 3.9Å; I45-Y79 HydrophobicContact CG1-CE2 4.41Å; I45-Y79 HydrophobicContact CG2-CD1 4.16Å; I45-Y79 HydrophobicContact CG2-CE1 3.91Å; W64-Y79 HydrophobicContact CB-CD1 4.45Å; W64-Y79 AromaticContact CD2-CD1 3.6Å; W64-Y79 HydrophobicContact CD2-CD1 3.6Å; W64-Y79 AromaticContact CD2-CE1 3.94Å; W64-Y79 HydrophobicContact CD2-CE1 3.94Å; W64-Y79 AromaticContact CE3-CD1 3.54Å; W64-Y79 HydrophobicContact CE3-CD1 3.54Å; W64-Y79 AromaticContact CE3-CE1 3.41Å; W64-Y79 HydrophobicContact CE3-CE1 3.41Å; W64-Y79 VanDerWaalsContact CE3-CE1 3.41Å; W64-Y79 HydrophobicContact CG-CD1 4.03Å; W64-Y79 HydrophobicContact CH2-CD1 4.4Å; W64-Y79 AromaticContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CZ2-CD1 4.46Å; W64-Y79 HydrophobicContact CZ2-CE1 4.39Å; W64-Y79 AromaticContact CZ3-CD1 3.97Å; W64-Y79 HydrophobicContact CZ3-CD1 3.97Å; W64-Y79 AromaticContact CZ3-CE1 3.4Å; W64-Y79 HydrophobicContact CZ3-CE1 3.4Å; L75-Y79 WeakPolarHBondContact O-CD2 3.34Å; L75-Y79 WeakPolarHBondContact O-CE2 3.48Å; I76-Y79 PolarHBondContact O-N 3.39Å; P77-Y79 VanDerWaalsContact C-N 3.29Å; P77-Y79 PolarHBondContact O-N 3.41Å; Y79-D82 PolarHBondContact O-N 3.24Å; Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 2.95Å; Y79-S83 PolarHBondContact O-OG 3.35Å |
| 80 | I | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -50.6 | 169.8 | -66 | 179.8 | 0 | 0 | 0 | 109.9 | V14 L16 I76 P77 D82 S83 D107 V108 E111 R112 | V14-I80 HydrophobicContact CG1-CG1 4.3Å; L16-I80 HydrophobicContact CD1-CD1 3.8Å; L16-I80 HydrophobicContact CD1-CG1 4.03Å; L16-I80 HydrophobicContact CD2-CD1 4.35Å; L16-I80 HydrophobicContact CD2-CG1 4.38Å; I76-I80 HydrophobicContact CG2-CD1 3.58Å; I76-I80 HydrophobicContact CG2-CG1 3.8Å; I76-I80 PolarHBondContact O-N 3.36Å; I76-I80 VanDerWaalsContact O-N 3.13Å; P77-I80 PolarHBondContact O-N 3.19Å; I80-D82 PolarHBondContact O-N 3.43Å; I80-S83 PolarHBondContact O-N 2.87Å; I80-D107 HydrophobicContact CD1-CB 4.45Å; I80-V108 HydrophobicContact CD1-CG2 4.15Å; I80-V108 HydrophobicContact CG2-CB 4.31Å; I80-V108 HydrophobicContact CG2-CG1 4.28Å; I80-V108 HydrophobicContact CG2-CG2 4.23Å; I80-E111 HydrophobicContact CB-CB 4.12Å; I80-E111 HydrophobicContact CG2-CB 3.57Å; I80-E111 HydrophobicContact CG2-CG 4.32Å; I80-R112 HydrophobicContact CG2-CB 4.27Å |
| 81 | R | 95.5 | Very high | 95.6 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -56.1 | -27.2 | -179.7 | -76.4 | -164.4 | -61.4 | -95.2 | 2.8 | 113.7 | P77 E111 R112 | P77-R81 WeakPolarHBondContact O-CG 3.48Å; P77-R81 PolarHBondContact O-N 3.08Å; R81-E111 WeakPolarHBondContact CD-OE2 3.34Å; R81-E111 HydrophobicContact CG-CB 3.94Å; R81-E111 WeakPolarHBondContact CG-O 3.4Å; R81-E111 WeakPolarHBondContact CG-OE2 3.22Å; R81-E111 IonicContact CZ-OE2 3.94Å; R81-E111 IonicContact NE-OE2 2.97Å; R81-E111 IonicContact NH1-OE2 2.84Å; R81-E111 PolarHBondContact NH1-OE2 2.92Å; R81-R112 VanDerWaalsContact O-CD 3.25Å; R81-R112 WeakPolarHBondContact O-CD 3.5Å; R81-R112 PolarHBondContact O-NH1 2.81Å |
| 82 | D | 92.4 | Very high | 96 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.3 | -179.4 | -91.8 | 14.4 | 0 | 0 | 0 | 114 | K12 S78 Y79 I80 | K12-D82 HydrophobicContact CD-CB 4.06Å; K12-D82 WeakPolarHBondContact CD-O 3.17Å; K12-D82 IonicContact NZ-OD2 3.49Å; K12-D82 PolarHBondContact NZ-OD2 3.43Å; S78-D82 PolarHBondContact O-N 3.44Å; Y79-D82 PolarHBondContact O-N 3.24Å; I80-D82 PolarHBondContact O-N 3.43Å |
| 83 | S | 97.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | trans | -87.7 | 142.5 | -170.8 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | V14 Y79 I80 R112 | V14-S83 WeakPolarHBondContact CB-OG 3.21Å; Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 2.95Å; Y79-S83 PolarHBondContact O-OG 3.35Å; I80-S83 PolarHBondContact O-N 2.87Å; S83-R112 PolarHBondContact O-NE 2.75Å; S83-R112 VanDerWaalsContact O-NE 3.17Å | ||
| 84 | S | 96.7 | Very high | 96.7 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -86 | -25.7 | 172 | -45.8 | 0 | 0 | 0 | 0 | 111.7 | K12 I117 | K12-S84 PolarHBondContact O-N 3.11Å; S84-I117 PolarHBondContact O-N 3.04Å |
| 85 | A | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 149.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K12 L13 V14 I117 I167 L171 | K12-A85 PolarHBondContact O-N 2.9Å; L13-A85 WeakPolarHBondContact CA-O 3.39Å; L13-A85 HydrophobicContact CD1-CB 4.31Å; L13-A85 HydrophobicContact CG-CB 4.13Å; V14-A85 PolarHBondContact N-O 2.85Å; A85-I117 CarbonylContact C-O 3.59Å; A85-I117 WeakPolarHBondContact CA-O 3.46Å; A85-I117 HydrophobicContact CB-CB 3.96Å; A85-I117 HydrophobicContact CB-CG2 4.27Å; A85-I167 HydrophobicContact CB-CG2 3.71Å; A85-L171 HydrophobicContact CB-CD1 4.31Å; A85-L171 HydrophobicContact CB-CD2 4.35Å |
| 86 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V14 L16 V108 I117 I118 I119 | V14-A86 HydrophobicContact CG1-CB 3.97Å; V14-A86 WeakPolarHBondContact O-CA 3.23Å; L16-A86 HydrophobicContact CD1-CB 4.42Å; A86-V108 HydrophobicContact CB-CB 4.41Å; A86-V108 HydrophobicContact CB-CG1 3.87Å; A86-V108 HydrophobicContact CB-CG2 3.62Å; A86-I117 PolarHBondContact N-O 3.1Å; A86-I118 WeakPolarHBondContact O-CA 3.45Å; A86-I119 PolarHBondContact O-N 2.83Å |
| 87 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 102.7 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | V14 F15 L16 V89 I119 V121 L163 I167 | V14-V87 PolarHBondContact O-N 3.16Å; F15-V87 WeakPolarHBondContact CA-O 3.48Å; F15-V87 HydrophobicContact CD1-CB 3.85Å; F15-V87 HydrophobicContact CD1-CG1 3.86Å; F15-V87 HydrophobicContact CD1-CG2 4.41Å; F15-V87 HydrophobicContact CE1-CB 3.86Å; F15-V87 HydrophobicContact CE1-CG1 3.69Å; F15-V87 HydrophobicContact CE1-CG2 4.02Å; F15-V87 HydrophobicContact CE2-CG2 4.14Å; F15-V87 HydrophobicContact CG-CB 4.17Å; F15-V87 HydrophobicContact CZ-CB 4.18Å; F15-V87 HydrophobicContact CZ-CG1 4.35Å; F15-V87 HydrophobicContact CZ-CG2 3.83Å; L16-V87 PolarHBondContact N-O 3.13Å; V87-V89 HydrophobicContact CG1-CG2 3.9Å; V87-I119 HydrophobicContact CB-CG2 4.24Å; V87-I119 HydrophobicContact CG1-CG2 4.13Å; V87-I119 HydrophobicContact CG2-CG2 3.95Å; V87-V121 HydrophobicContact CG1-CB 4.5Å; V87-V121 HydrophobicContact CG1-CG2 3.6Å; V87-L163 HydrophobicContact CG1-CD2 4.44Å; V87-I167 HydrophobicContact CG2-CD1 3.63Å |
| 88 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.7 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | L16 A101 W104 V105 I118 I119 L120 V121 | L16-V88 HydrophobicContact CB-CG2 4.41Å; V88-A101 HydrophobicContact CG1-CB 4.08Å; V88-W104 HydrophobicContact CG1-CB 3.68Å; V88-W104 HydrophobicContact CG1-CG 4.43Å; V88-W104 HydrophobicContact CG2-CB 4.24Å; V88-V105 HydrophobicContact CB-CG2 4.43Å; V88-V105 HydrophobicContact CG1-CG2 4.43Å; V88-V105 HydrophobicContact CG2-CG2 4.01Å; V88-I118 HydrophobicContact CG2-CG2 4.19Å; V88-I119 PolarHBondContact N-O 3.01Å; V88-L120 HydrophobicContact CB-CD1 4.44Å; V88-L120 HydrophobicContact CG1-CD1 4.19Å; V88-L120 CarbonylContact O-C 3.59Å; V88-L120 WeakPolarHBondContact O-CA 3.44Å; V88-V121 PolarHBondContact O-N 3.19Å |
| 89 | V | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 133.3 | -171.2 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | F15 L16 V21 K23 L26 V87 V121 N123 | F15-V89 HydrophobicContact CD1-CG2 4.45Å; L16-V89 PolarHBondContact O-N 3.28Å; V21-V89 HydrophobicContact CB-CG1 4.21Å; V21-V89 HydrophobicContact CG2-CB 3.84Å; V21-V89 HydrophobicContact CG2-CG1 3.83Å; V21-V89 WeakPolarHBondContact CG2-O 3.39Å; K23-V89 HydrophobicContact CG-CB 4.12Å; K23-V89 HydrophobicContact CG-CG2 4.07Å; L26-V89 HydrophobicContact CD1-CG1 3.97Å; L26-V89 HydrophobicContact CD1-CG2 4.04Å; V87-V89 HydrophobicContact CG1-CG2 3.9Å; V89-V121 WeakPolarHBondContact CA-O 3.3Å; V89-V121 HydrophobicContact CG2-CB 4.29Å; V89-N123 HydrophobicContact CG1-CB 3.76Å |
| 90 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 161.4 | 165.6 | 72.7 | -86.8 | 0 | 0 | 0 | 110.7 | I92 F98 L120 V121 N123 V133 F149 | Y90-I92 HydrophobicContact CE2-CG2 4Å; Y90-F98 HydrophobicContact CD1-CD2 4.13Å; Y90-F98 HydrophobicContact CD2-CB 3.81Å; Y90-F98 AromaticContact CD2-CD2 3.93Å; Y90-F98 HydrophobicContact CD2-CD2 3.93Å; Y90-F98 HydrophobicContact CD2-CG 4.34Å; Y90-F98 AromaticContact CE1-CD2 4Å; Y90-F98 HydrophobicContact CE1-CD2 4Å; Y90-F98 HydrophobicContact CE1-CE2 4.47Å; Y90-F98 HydrophobicContact CE2-CB 4.34Å; Y90-F98 AromaticContact CE2-CD2 3.8Å; Y90-F98 HydrophobicContact CE2-CD2 3.8Å; Y90-F98 HydrophobicContact CE2-CG 4.44Å; Y90-F98 HydrophobicContact CG-CB 4.15Å; Y90-F98 HydrophobicContact CG-CD2 4.1Å; Y90-F98 AromaticContact CZ-CD2 3.83Å; Y90-L120 HydrophobicContact CD1-CD1 3.79Å; Y90-L120 HydrophobicContact CD1-CG 4.15Å; Y90-L120 HydrophobicContact CE1-CD1 4.08Å; Y90-L120 HydrophobicContact CE1-CD2 4.19Å; Y90-L120 HydrophobicContact CE1-CG 3.91Å; Y90-V121 WeakPolarHBondContact CD1-O 3.31Å; Y90-V121 PolarHBondContact N-O 3.13Å; Y90-N123 PolarHBondContact O-N 3.14Å; Y90-V133 HydrophobicContact CE2-CB 4.12Å; Y90-V133 HydrophobicContact CE2-CG1 3.83Å; Y90-F149 HydrophobicContact CE1-CE2 4.2Å |
| 91 | D | 98.7 | Very high | 98 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123 | 174.2 | 170.5 | 0.7 | 0 | 0 | 0 | 109.1 | V21 C93 N94 S97 K124 | V21-D91 HydrophobicContact CB-CB 4.36Å; V21-D91 HydrophobicContact CG1-CB 4.3Å; D91-C93 PolarHBondContact O-N 2.96Å; D91-C93 VanDerWaalsContact O-N 3.08Å; D91-C93 VanDerWaalsContact OD1-CB 3.3Å; D91-C93 WeakPolarHBondContact OD1-CB 3.45Å; D91-C93 PolarHBondContact OD1-N 2.97Å; D91-N94 HydrophobicContact CB-CB 4Å; D91-N94 CarbonylContact O-C 3.43Å; D91-N94 PolarHBondContact O-N 3.13Å; D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.85Å; D91-K124 HydrophobicContact CB-CD 4.32Å; D91-K124 WeakPolarHBondContact OD2-CD 3.49Å; D91-K124 VanDerWaalsContact OD2-CE 3.28Å; D91-K124 WeakPolarHBondContact OD2-CE 3.35Å; D91-K124 IonicContact OD2-NZ 2.67Å; D91-K124 PolarHBondContact OD2-NZ 2.82Å |
| 92 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.5 | -178.5 | 65.7 | 155.7 | 0 | 0 | 0 | 113.3 | Y90 N123 K124 T125 R131 K132 V133 | Y90-I92 HydrophobicContact CE2-CG2 4Å; I92-N123 WeakPolarHBondContact CG1-O 3.31Å; I92-N123 WeakPolarHBondContact CG2-O 3.46Å; I92-N123 PolarHBondContact N-O 2.78Å; I92-K124 WeakPolarHBondContact CD1-O 3.35Å; I92-T125 HydrophobicContact CD1-CG2 4.32Å; I92-R131 HydrophobicContact CD1-CB 4.22Å; I92-R131 HydrophobicContact CD1-CG 4.23Å; I92-K132 PolarHBondContact O-N 3.27Å; I92-V133 PolarHBondContact O-N 3.35Å |
| 93 | C | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 12% | 0.122 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -6.5 | 176.9 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | D91 L127 K130 K132 | D91-C93 PolarHBondContact O-N 2.96Å; D91-C93 VanDerWaalsContact O-N 3.08Å; D91-C93 VanDerWaalsContact OD1-CB 3.3Å; D91-C93 WeakPolarHBondContact OD1-CB 3.45Å; D91-C93 PolarHBondContact OD1-N 2.97Å; C93-L127 WeakPolarHBondContact SG-CB 3.39Å; C93-L127 PolarHBondContact SG-O 3.16Å; C93-K130 HydrophobicContact CB-CB 4.39Å; C93-K132 WeakPolarHBondContact O-CD 3.12Å; C93-K132 WeakPolarHBondContact O-CE 2.84Å; C93-K132 WeakPolarHBondContact O-CG 3.17Å |
| 94 | N | 98.4 | Very high | 98.4 | Very high | 63 Ų | 63 | 26.7 Ų | 26.7 | 34% | 0.337 | 15% | 0.149 | S | C | . | . | trans | -125.7 | 90.8 | -176.4 | -176.4 | -12.7 | 0 | 0 | 0 | 110.4 | D91 G96 S97 F98 | D91-N94 HydrophobicContact CB-CB 4Å; D91-N94 CarbonylContact O-C 3.43Å; D91-N94 PolarHBondContact O-N 3.13Å; N94-G96 PolarHBondContact O-N 2.85Å; N94-G96 WeakPolarHBondContact OD1-CA 3.46Å; N94-G96 PolarHBondContact OD1-N 2.79Å; N94-S97 PolarHBondContact O-N 2.8Å; N94-S97 PolarHBondContact O-OG 3.42Å; N94-S97 PolarHBondContact OD1-N 3.15Å; N94-F98 PolarHBondContact O-N 3.01Å | ||
| 95 | A | 98.1 | Very high | 98.4 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 25% | 0.248 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.2 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S97 F98 H99 K132 V133 | A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 3.4Å; A95-F98 WeakPolarHBondContact O-CB 3.41Å; A95-F98 PolarHBondContact O-N 3.33Å; A95-F98 VanDerWaalsContact O-N 3.08Å; A95-H99 PolarHBondContact O-N 3.3Å; A95-H99 PolarHBondContact O-ND1 2.96Å; A95-K132 HydrophobicContact CB-CB 4.38Å; A95-V133 HydrophobicContact CB-CG2 4.25Å |
| 96 | G | 98.4 | Very high | 98.4 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 41% | 0.412 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N94 F98 H99 Q100 | N94-G96 PolarHBondContact O-N 2.85Å; N94-G96 WeakPolarHBondContact OD1-CA 3.46Å; N94-G96 PolarHBondContact OD1-N 2.79Å; G96-F98 VanDerWaalsContact C-N 3.3Å; G96-F98 PolarHBondContact O-N 3.06Å; G96-H99 PolarHBondContact O-N 2.87Å; G96-Q100 WeakPolarHBondContact O-CG 3.23Å; G96-Q100 PolarHBondContact O-N 3.48Å; G96-Q100 VanDerWaalsContact O-N 3.13Å |
| 97 | S | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 176.5 | 73 | 0 | 0 | 0 | 0 | 113.3 | D91 N94 A95 A101 | D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.85Å; N94-S97 PolarHBondContact O-N 2.8Å; N94-S97 PolarHBondContact O-OG 3.42Å; N94-S97 PolarHBondContact OD1-N 3.15Å; A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 3.4Å; S97-A101 PolarHBondContact O-N 2.88Å |
| 98 | F | 98.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 11% | 0.11 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70 | -44.4 | 174.7 | 172.7 | -104.7 | 0 | 0 | 0 | 111.9 | Y90 N94 A95 G96 Q100 A101 V133 E137 L141 | Y90-F98 HydrophobicContact CD1-CD2 4.13Å; Y90-F98 HydrophobicContact CD2-CB 3.81Å; Y90-F98 AromaticContact CD2-CD2 3.93Å; Y90-F98 HydrophobicContact CD2-CD2 3.93Å; Y90-F98 HydrophobicContact CD2-CG 4.34Å; Y90-F98 AromaticContact CE1-CD2 4Å; Y90-F98 HydrophobicContact CE1-CD2 4Å; Y90-F98 HydrophobicContact CE1-CE2 4.47Å; Y90-F98 HydrophobicContact CE2-CB 4.34Å; Y90-F98 AromaticContact CE2-CD2 3.8Å; Y90-F98 HydrophobicContact CE2-CD2 3.8Å; Y90-F98 HydrophobicContact CE2-CG 4.44Å; Y90-F98 HydrophobicContact CG-CB 4.15Å; Y90-F98 HydrophobicContact CG-CD2 4.1Å; Y90-F98 AromaticContact CZ-CD2 3.83Å; N94-F98 PolarHBondContact O-N 3.01Å; A95-F98 WeakPolarHBondContact O-CB 3.41Å; A95-F98 PolarHBondContact O-N 3.33Å; A95-F98 VanDerWaalsContact O-N 3.08Å; G96-F98 VanDerWaalsContact C-N 3.3Å; G96-F98 PolarHBondContact O-N 3.06Å; F98-Q100 PolarHBondContact O-N 3.28Å; F98-A101 WeakPolarHBondContact O-CB 3.32Å; F98-A101 PolarHBondContact O-N 3.32Å; F98-V133 HydrophobicContact CB-CG1 4.32Å; F98-V133 HydrophobicContact CB-CG2 3.73Å; F98-V133 HydrophobicContact CD1-CG1 4.01Å; F98-V133 HydrophobicContact CD1-CG2 4.23Å; F98-V133 HydrophobicContact CD2-CG1 3.71Å; F98-V133 HydrophobicContact CE1-CG1 4.2Å; F98-V133 HydrophobicContact CE2-CG1 3.9Å; F98-V133 HydrophobicContact CG-CG1 3.75Å; F98-V133 HydrophobicContact CG-CG2 3.98Å; F98-V133 HydrophobicContact CZ-CG1 4.13Å; F98-E137 HydrophobicContact CE1-CB 4.44Å; F98-E137 HydrophobicContact CZ-CB 4.06Å; F98-E137 WeakPolarHBondContact CZ-O 3.49Å; F98-L141 HydrophobicContact CD2-CD2 3.98Å; F98-L141 HydrophobicContact CE1-CD2 4.37Å; F98-L141 HydrophobicContact CE2-CB 3.92Å; F98-L141 HydrophobicContact CE2-CD2 3.37Å; F98-L141 HydrophobicContact CE2-CG 4.27Å; F98-L141 HydrophobicContact CZ-CB 3.79Å; F98-L141 HydrophobicContact CZ-CD2 3.61Å; F98-L141 HydrophobicContact CZ-CG 4.28Å |
| 99 | H | 98.2 | Very high | 98.2 | Very high | 133 Ų | 133 | 35.5 Ų | 35.5 | 62% | 0.616 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -59.1 | -37.6 | 175.6 | -70.6 | 84.9 | 0 | 0 | 0 | 111.9 | A95 G96 A101 | A95-H99 PolarHBondContact O-N 3.3Å; A95-H99 PolarHBondContact O-ND1 2.96Å; G96-H99 PolarHBondContact O-N 2.87Å; H99-A101 VanDerWaalsContact C-N 3.29Å; H99-A101 PolarHBondContact O-N 3Å |
| 100 | Q | 98 | Very high | 98.1 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -73.5 | -16.4 | 177.4 | -66.4 | -63.6 | 105.3 | 0 | 0 | 113.8 | E18 G96 F98 S102 K103 W104 | E18-Q100 HydrophobicContact CG-CB 3.78Å; E18-Q100 HydrophobicContact CG-CG 4.05Å; G96-Q100 WeakPolarHBondContact O-CG 3.23Å; G96-Q100 PolarHBondContact O-N 3.48Å; G96-Q100 VanDerWaalsContact O-N 3.13Å; F98-Q100 PolarHBondContact O-N 3.28Å; Q100-S102 VanDerWaalsContact C-N 3.31Å; Q100-S102 PolarHBondContact O-N 2.9Å; Q100-K103 WeakPolarHBondContact O-CB 3.46Å; Q100-K103 PolarHBondContact O-N 3.45Å; Q100-K103 VanDerWaalsContact O-N 3.15Å; Q100-W104 VanDerWaalsContact O-CD1 3.23Å; Q100-W104 PolarHBondContact O-N 2.88Å |
| 101 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V88 S97 F98 H99 K103 W104 V105 L120 L141 | V88-A101 HydrophobicContact CG1-CB 4.08Å; S97-A101 PolarHBondContact O-N 2.88Å; F98-A101 WeakPolarHBondContact O-CB 3.32Å; F98-A101 PolarHBondContact O-N 3.32Å; H99-A101 VanDerWaalsContact C-N 3.29Å; H99-A101 PolarHBondContact O-N 3Å; A101-K103 VanDerWaalsContact C-N 3.3Å; A101-K103 PolarHBondContact O-N 2.9Å; A101-W104 WeakPolarHBondContact O-CB 3.25Å; A101-W104 PolarHBondContact O-N 3.34Å; A101-W104 VanDerWaalsContact O-N 3.16Å; A101-V105 PolarHBondContact O-N 3.27Å; A101-L120 HydrophobicContact CB-CD1 3.72Å; A101-L141 HydrophobicContact CB-CD2 4.47Å |
| 102 | S | 98.2 | Very high | 97.8 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | Q100 W104 V105 D106 L141 | Q100-S102 VanDerWaalsContact C-N 3.31Å; Q100-S102 PolarHBondContact O-N 2.9Å; S102-W104 VanDerWaalsContact C-N 3.3Å; S102-W104 PolarHBondContact O-N 2.93Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 2.82Å; S102-V105 VanDerWaalsContact O-N 3.1Å; S102-D106 VanDerWaalsContact O-CG 3.3Å; S102-D106 PolarHBondContact O-N 2.95Å; S102-L141 WeakPolarHBondContact OG-CD1 3.45Å |
| 103 | K | 97.6 | Very high | 97.4 | Very high | 109 Ų | 109 | 50.4 Ų | 50.4 | 47% | 0.474 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 177.2 | -172.8 | 179 | -179.6 | 178.1 | 0 | 111.8 | Q100 A101 V105 D106 D107 | Q100-K103 WeakPolarHBondContact O-CB 3.46Å; Q100-K103 PolarHBondContact O-N 3.45Å; Q100-K103 VanDerWaalsContact O-N 3.15Å; A101-K103 VanDerWaalsContact C-N 3.3Å; A101-K103 PolarHBondContact O-N 2.9Å; K103-V105 VanDerWaalsContact C-N 3.35Å; K103-D106 PolarHBondContact O-N 3.48Å; K103-D107 WeakPolarHBondContact O-CB 3.47Å; K103-D107 VanDerWaalsContact O-CG 3.23Å; K103-D107 PolarHBondContact O-N 3.12Å |
| 104 | W | 97.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 174.8 | -72.6 | 109.6 | 0 | 0 | 0 | 112.6 | L16 G17 E18 R73 I76 V88 Q100 A101 S102 V108 | L16-W104 HydrophobicContact CB-CD2 4.23Å; L16-W104 HydrophobicContact CB-CE3 3.94Å; L16-W104 HydrophobicContact CB-CZ3 4.44Å; L16-W104 HydrophobicContact CD1-CE3 4.38Å; L16-W104 HydrophobicContact CD2-CE3 4.17Å; L16-W104 HydrophobicContact CD2-CZ3 4.01Å; L16-W104 HydrophobicContact CG-CE3 4.4Å; G17-W104 WeakPolarHBondContact O-CZ2 3.42Å; E18-W104 PolarHBondContact OE1-NE1 3.09Å; R73-W104 HydrophobicContact CG-CH2 4.41Å; R73-W104 VanDerWaalsContact NH2-CH2 3.33Å; R73-W104 VanDerWaalsContact NH2-CZ3 3.27Å; I76-W104 HydrophobicContact CD1-CH2 3.51Å; I76-W104 HydrophobicContact CD1-CZ3 3.61Å; I76-W104 HydrophobicContact CG2-CZ3 4.32Å; V88-W104 HydrophobicContact CG1-CB 3.68Å; V88-W104 HydrophobicContact CG1-CG 4.43Å; V88-W104 HydrophobicContact CG2-CB 4.24Å; Q100-W104 VanDerWaalsContact O-CD1 3.23Å; Q100-W104 PolarHBondContact O-N 2.88Å; A101-W104 WeakPolarHBondContact O-CB 3.25Å; A101-W104 PolarHBondContact O-N 3.34Å; A101-W104 VanDerWaalsContact O-N 3.16Å; S102-W104 VanDerWaalsContact C-N 3.3Å; S102-W104 PolarHBondContact O-N 2.93Å; W104-V108 VanDerWaalsContact O-CG2 3.32Å; W104-V108 WeakPolarHBondContact O-CG2 3.49Å; W104-V108 PolarHBondContact O-N 2.82Å; W104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 173.4 | 173.9 | 0 | 0 | 0 | 0 | 111 | V88 A101 S102 K103 V108 R109 I118 L145 V147 | V88-V105 HydrophobicContact CB-CG2 4.43Å; V88-V105 HydrophobicContact CG1-CG2 4.43Å; V88-V105 HydrophobicContact CG2-CG2 4.01Å; A101-V105 PolarHBondContact O-N 3.27Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 2.82Å; S102-V105 VanDerWaalsContact O-N 3.1Å; K103-V105 VanDerWaalsContact C-N 3.35Å; V105-V108 WeakPolarHBondContact O-CB 3.44Å; V105-V108 PolarHBondContact O-N 3.42Å; V105-R109 WeakPolarHBondContact O-CG 3.38Å; V105-R109 PolarHBondContact O-N 2.91Å; V105-I118 HydrophobicContact CG1-CD1 4.08Å; V105-I118 HydrophobicContact CG2-CG2 4.07Å; V105-L145 HydrophobicContact CB-CD1 4.24Å; V105-L145 HydrophobicContact CG1-CD1 4.41Å; V105-L145 HydrophobicContact CG2-CD1 3.97Å; V105-V147 HydrophobicContact CG1-CG1 4.17Å |
| 106 | D | 97.5 | Very high | 96 | Very high | 73 Ų | 73 | 55 Ų | 55 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.6 | -64.4 | -25.9 | 0 | 0 | 0 | 111.4 | S102 K103 V108 R109 N110 | S102-D106 VanDerWaalsContact O-CG 3.3Å; S102-D106 PolarHBondContact O-N 2.95Å; K103-D106 PolarHBondContact O-N 3.48Å; D106-V108 PolarHBondContact O-N 3.29Å; D106-R109 PolarHBondContact O-N 3.23Å; D106-N110 WeakPolarHBondContact O-CB 3.42Å; D106-N110 PolarHBondContact O-N 3.39Å; D106-N110 PolarHBondContact O-ND2 2.91Å; D106-N110 VanDerWaalsContact O-ND2 3.13Å |
| 107 | D | 96.7 | Very high | 96 | Very high | 47 Ų | 47 | 53.6 Ų | 53.6 | 25% | 0.251 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.6 | -41.7 | 173.6 | -71.3 | -14.6 | 0 | 0 | 0 | 110.6 | R73 I80 K103 E111 | R73-D107 IonicContact NH2-OD2 3.69Å; R73-D107 PolarHBondContact NH2-OD2 3.43Å; I80-D107 HydrophobicContact CD1-CB 4.45Å; K103-D107 WeakPolarHBondContact O-CB 3.47Å; K103-D107 VanDerWaalsContact O-CG 3.23Å; K103-D107 PolarHBondContact O-N 3.12Å; D107-E111 WeakPolarHBondContact O-CG 3.48Å; D107-E111 PolarHBondContact O-N 3.49Å |
| 108 | V | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | L16 I80 A86 W104 V105 D106 E111 R112 V116 I118 | L16-V108 HydrophobicContact CD1-CG2 3.3Å; I80-V108 HydrophobicContact CD1-CG2 4.15Å; I80-V108 HydrophobicContact CG2-CB 4.31Å; I80-V108 HydrophobicContact CG2-CG1 4.28Å; I80-V108 HydrophobicContact CG2-CG2 4.23Å; A86-V108 HydrophobicContact CB-CB 4.41Å; A86-V108 HydrophobicContact CB-CG1 3.87Å; A86-V108 HydrophobicContact CB-CG2 3.62Å; W104-V108 VanDerWaalsContact O-CG2 3.32Å; W104-V108 WeakPolarHBondContact O-CG2 3.49Å; W104-V108 PolarHBondContact O-N 2.82Å; W104-V108 VanDerWaalsContact O-N 3.09Å; V105-V108 WeakPolarHBondContact O-CB 3.44Å; V105-V108 PolarHBondContact O-N 3.42Å; D106-V108 PolarHBondContact O-N 3.29Å; V108-E111 PolarHBondContact O-N 3.43Å; V108-R112 WeakPolarHBondContact O-CB 3.4Å; V108-R112 PolarHBondContact O-N 2.99Å; V108-V116 HydrophobicContact CG1-CG1 3.66Å; V108-V116 HydrophobicContact CG1-CG2 4.15Å; V108-I118 HydrophobicContact CB-CD1 4.08Å; V108-I118 HydrophobicContact CG1-CD1 3.58Å; V108-I118 HydrophobicContact CG1-CG1 3.9Å |
| 109 | R | 97.1 | Very high | 96 | Very high | 87 Ų | 87 | 53 Ų | 53 | 33% | 0.328 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | -179 | -74.2 | 174.3 | 162.8 | 166.5 | -6.4 | 112.6 | V105 D106 E111 G113 I118 L145 | V105-R109 WeakPolarHBondContact O-CG 3.38Å; V105-R109 PolarHBondContact O-N 2.91Å; D106-R109 PolarHBondContact O-N 3.23Å; R109-E111 VanDerWaalsContact C-N 3.32Å; R109-E111 PolarHBondContact O-N 2.59Å; R109-G113 VanDerWaalsContact O-CA 3.22Å; R109-G113 WeakPolarHBondContact O-CA 3.39Å; R109-G113 PolarHBondContact O-N 2.93Å; R109-I118 HydrophobicContact CG-CD1 4.16Å; R109-L145 PolarHBondContact NH1-O 2.95Å; R109-L145 PolarHBondContact NH2-O 3.08Å |
| 110 | N | 96.7 | Very high | 96 | Very high | 130 Ų | 130 | 46.7 Ų | 46.7 | 70% | 0.695 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66 | -37.1 | 178.9 | -70.4 | -27.3 | 0 | 0 | 0 | 111.9 | D106 | D106-N110 WeakPolarHBondContact O-CB 3.42Å; D106-N110 PolarHBondContact O-N 3.39Å; D106-N110 PolarHBondContact O-ND2 2.91Å; D106-N110 VanDerWaalsContact O-ND2 3.13Å |
| 111 | E | 96.7 | Very high | 96.1 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -85.1 | -37.2 | -178.5 | -69.2 | -62.3 | 154.1 | 0 | 0 | 113.2 | P77 I80 R81 D107 V108 R109 | P77-E111 HydrophobicContact CB-CG 4.19Å; I80-E111 HydrophobicContact CB-CB 4.12Å; I80-E111 HydrophobicContact CG2-CB 3.57Å; I80-E111 HydrophobicContact CG2-CG 4.32Å; R81-E111 WeakPolarHBondContact CD-OE2 3.34Å; R81-E111 HydrophobicContact CG-CB 3.94Å; R81-E111 WeakPolarHBondContact CG-O 3.4Å; R81-E111 WeakPolarHBondContact CG-OE2 3.22Å; R81-E111 IonicContact CZ-OE2 3.94Å; R81-E111 IonicContact NE-OE2 2.97Å; R81-E111 IonicContact NH1-OE2 2.84Å; R81-E111 PolarHBondContact NH1-OE2 2.92Å; D107-E111 WeakPolarHBondContact O-CG 3.48Å; D107-E111 PolarHBondContact O-N 3.49Å; V108-E111 PolarHBondContact O-N 3.43Å; R109-E111 VanDerWaalsContact C-N 3.32Å; R109-E111 PolarHBondContact O-N 2.59Å |
| 112 | R | 94.3 | Very high | 96.1 | Very high | 94 Ų | 94 | 43.2 Ų | 43.2 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -112.9 | -13.2 | -169.7 | -165.2 | 62.6 | -174.5 | 160.3 | 13.9 | 114.4 | I80 R81 S83 V108 V116 | I80-R112 HydrophobicContact CG2-CB 4.27Å; R81-R112 VanDerWaalsContact O-CD 3.25Å; R81-R112 WeakPolarHBondContact O-CD 3.5Å; R81-R112 PolarHBondContact O-NH1 2.81Å; S83-R112 PolarHBondContact O-NE 2.75Å; S83-R112 VanDerWaalsContact O-NE 3.17Å; V108-R112 WeakPolarHBondContact O-CB 3.4Å; V108-R112 PolarHBondContact O-N 2.99Å; R112-V116 HydrophobicContact CB-CB 4.27Å; R112-V116 HydrophobicContact CB-CG1 4.07Å; R112-V116 HydrophobicContact CG-CB 3.64Å; R112-V116 HydrophobicContact CG-CG1 3.99Å; R112-V116 HydrophobicContact CG-CG2 4.13Å |
| 113 | G | 91.3 | Very high | 96.1 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | -152.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R109 | R109-G113 VanDerWaalsContact O-CA 3.22Å; R109-G113 WeakPolarHBondContact O-CA 3.39Å; R109-G113 PolarHBondContact O-N 2.93Å |
| 114 | G | 84.8 | Confident | 96.2 | Very high | 83 Ų | 83 | 38.8 Ų | 38.8 | 86% | 0.856 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V116 | G114-V116 PolarHBondContact O-N 3.46Å; G114-V116 VanDerWaalsContact O-N 3.1Å |
| 115 | D | 86.6 | Confident | 96.2 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 58% | 0.583 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -88.6 | 52.1 | -177.8 | -169.6 | 40.4 | 0 | 0 | 0 | 111.6 | ||
| 116 | V | 95.1 | Very high | 96.2 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -147.7 | 131.8 | 178.1 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | V108 R112 G114 I118 | V108-V116 HydrophobicContact CG1-CG1 3.66Å; V108-V116 HydrophobicContact CG1-CG2 4.15Å; R112-V116 HydrophobicContact CB-CB 4.27Å; R112-V116 HydrophobicContact CB-CG1 4.07Å; R112-V116 HydrophobicContact CG-CB 3.64Å; R112-V116 HydrophobicContact CG-CG1 3.99Å; R112-V116 HydrophobicContact CG-CG2 4.13Å; G114-V116 PolarHBondContact O-N 3.46Å; G114-V116 VanDerWaalsContact O-N 3.1Å; V116-I118 HydrophobicContact CG1-CD1 4.17Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å; V116-I118 PolarHBondContact O-N 2.91Å |
| 117 | I | 97.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 123.8 | 173.1 | -70.1 | 157.7 | 0 | 0 | 0 | 108.5 | S84 A85 A86 M148 E170 L171 | S84-I117 PolarHBondContact O-N 3.04Å; A85-I117 CarbonylContact C-O 3.59Å; A85-I117 WeakPolarHBondContact CA-O 3.46Å; A85-I117 HydrophobicContact CB-CB 3.96Å; A85-I117 HydrophobicContact CB-CG2 4.27Å; A86-I117 PolarHBondContact N-O 3.1Å; I117-M148 HydrophobicContact CG2-CE 3.19Å; I117-E170 HydrophobicContact CD1-CB 3.89Å; I117-E170 HydrophobicContact CD1-CG 3.41Å; I117-E170 VanDerWaalsContact CD1-CG 3.41Å; I117-E170 HydrophobicContact CG1-CG 3.73Å; I117-E170 HydrophobicContact CG2-CG 4.23Å; I117-L171 HydrophobicContact CD1-CB 4.18Å; I117-L171 HydrophobicContact CD1-CD2 3.55Å; I117-L171 HydrophobicContact CD1-CG 3.56Å |
| 118 | I | 98.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.1 | 176.1 | -50.1 | 179.3 | 0 | 0 | 0 | 108.5 | A86 V88 V105 V108 R109 V116 V147 M148 | A86-I118 WeakPolarHBondContact O-CA 3.45Å; V88-I118 HydrophobicContact CG2-CG2 4.19Å; V105-I118 HydrophobicContact CG1-CD1 4.08Å; V105-I118 HydrophobicContact CG2-CG2 4.07Å; V108-I118 HydrophobicContact CB-CD1 4.08Å; V108-I118 HydrophobicContact CG1-CD1 3.58Å; V108-I118 HydrophobicContact CG1-CG1 3.9Å; R109-I118 HydrophobicContact CG-CD1 4.16Å; V116-I118 HydrophobicContact CG1-CD1 4.17Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å; V116-I118 PolarHBondContact O-N 2.91Å; I118-V147 HydrophobicContact CB-CB 4.12Å; I118-V147 HydrophobicContact CB-CG1 3.64Å; I118-V147 HydrophobicContact CD1-CG1 4.4Å; I118-V147 HydrophobicContact CG2-CB 4.17Å; I118-V147 HydrophobicContact CG2-CG1 3.73Å; I118-V147 WeakPolarHBondContact O-CB 3.36Å; I118-M148 PolarHBondContact O-N 2.85Å |
| 119 | I | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 127 | 171.3 | -174.3 | 155.2 | 0 | 0 | 0 | 110.5 | A86 V87 V88 V121 M148 I150 L163 I167 | A86-I119 PolarHBondContact O-N 2.83Å; V87-I119 HydrophobicContact CB-CG2 4.24Å; V87-I119 HydrophobicContact CG1-CG2 4.13Å; V87-I119 HydrophobicContact CG2-CG2 3.95Å; V88-I119 PolarHBondContact N-O 3.01Å; I119-V121 HydrophobicContact CG1-CG2 4.16Å; I119-V121 HydrophobicContact CG2-CG2 4.32Å; I119-M148 WeakPolarHBondContact CA-O 3.45Å; I119-M148 HydrophobicContact CB-CB 4Å; I119-M148 HydrophobicContact CB-CE 4.19Å; I119-M148 HydrophobicContact CD1-CB 3.87Å; I119-M148 HydrophobicContact CD1-CE 4.32Å; I119-M148 HydrophobicContact CG1-CB 3.83Å; I119-I150 HydrophobicContact CD1-CB 4.47Å; I119-I150 HydrophobicContact CD1-CG2 3.8Å; I119-I150 HydrophobicContact CG1-CG2 4.27Å; I119-L163 HydrophobicContact CD1-CD1 3.64Å; I119-L163 HydrophobicContact CG1-CD1 4.19Å; I119-L163 HydrophobicContact CG2-CD1 4.03Å; I119-I167 HydrophobicContact CG2-CD1 3.89Å; I119-I167 HydrophobicContact CG2-CG1 4.04Å |
| 120 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 128.2 | 169.9 | -176.3 | 66.1 | 0 | 0 | 0 | 109.2 | V88 Y90 A101 L141 A142 V147 M148 F149 I150 | V88-L120 HydrophobicContact CB-CD1 4.44Å; V88-L120 HydrophobicContact CG1-CD1 4.19Å; V88-L120 CarbonylContact O-C 3.59Å; V88-L120 WeakPolarHBondContact O-CA 3.44Å; Y90-L120 HydrophobicContact CD1-CD1 3.79Å; Y90-L120 HydrophobicContact CD1-CG 4.15Å; Y90-L120 HydrophobicContact CE1-CD1 4.08Å; Y90-L120 HydrophobicContact CE1-CD2 4.19Å; Y90-L120 HydrophobicContact CE1-CG 3.91Å; A101-L120 HydrophobicContact CB-CD1 3.72Å; L120-L141 HydrophobicContact CD2-CB 4.27Å; L120-L141 HydrophobicContact CD2-CD2 3.97Å; L120-L141 HydrophobicContact CD2-CG 4.13Å; L120-A142 HydrophobicContact CB-CB 4.47Å; L120-A142 HydrophobicContact CD2-CB 4.19Å; L120-V147 HydrophobicContact CB-CG2 4.04Å; L120-M148 PolarHBondContact N-O 2.79Å; L120-F149 HydrophobicContact CB-CD2 4.23Å; L120-F149 HydrophobicContact CD2-CD2 4.2Å; L120-F149 HydrophobicContact CG-CD2 4.2Å; L120-F149 WeakPolarHBondContact O-CA 3.48Å; L120-F149 WeakPolarHBondContact O-CD2 3.46Å; L120-I150 PolarHBondContact O-N 3.33Å; L120-I150 VanDerWaalsContact O-N 3.15Å |
| 121 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 112.5 | -175.7 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | L26 V87 V88 V89 Y90 I119 N123 I150 T152 L163 | L26-V121 HydrophobicContact CD1-CG1 4.13Å; V87-V121 HydrophobicContact CG1-CB 4.5Å; V87-V121 HydrophobicContact CG1-CG2 3.6Å; V88-V121 PolarHBondContact O-N 3.19Å; V89-V121 WeakPolarHBondContact CA-O 3.3Å; V89-V121 HydrophobicContact CG2-CB 4.29Å; Y90-V121 WeakPolarHBondContact CD1-O 3.31Å; Y90-V121 PolarHBondContact N-O 3.13Å; I119-V121 HydrophobicContact CG1-CG2 4.16Å; I119-V121 HydrophobicContact CG2-CG2 4.32Å; V121-N123 PolarHBondContact O-N 3.29Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.3Å; V121-I150 HydrophobicContact CG1-CG2 4.5Å; V121-I150 HydrophobicContact CG2-CG2 4.1Å; V121-T152 HydrophobicContact CG1-CG2 3.86Å; V121-T152 VanDerWaalsContact CG1-OG1 3.31Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.44Å; V121-L163 HydrophobicContact CG1-CD2 4.3Å; V121-L163 HydrophobicContact CG2-CD1 3.77Å; V121-L163 HydrophobicContact CG2-CD2 4.06Å |
| 122 | G | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 101.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | I150 E151 T152 | G122-I150 PolarHBondContact N-O 2.71Å; G122-I150 VanDerWaalsContact N-O 3.09Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.44Å; G122-T152 PolarHBondContact O-N 3.35Å |
| 123 | N | 98.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 164.6 | -175.7 | -169.5 | 36.9 | 0 | 0 | 0 | 112.9 | V21 L26 V89 Y90 I92 V121 T152 A154 | V21-N123 PolarHBondContact O-ND2 2.95Å; L26-N123 HydrophobicContact CD1-CB 4.42Å; V89-N123 HydrophobicContact CG1-CB 3.76Å; Y90-N123 PolarHBondContact O-N 3.14Å; I92-N123 WeakPolarHBondContact CG1-O 3.31Å; I92-N123 WeakPolarHBondContact CG2-O 3.46Å; I92-N123 PolarHBondContact N-O 2.78Å; V121-N123 PolarHBondContact O-N 3.29Å; N123-T152 CarbonylContact C-O 3.49Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.3Å; N123-T152 PolarHBondContact OD1-O 2.99Å; N123-T152 PolarHBondContact OD1-OG1 3.41Å; N123-T152 VanDerWaalsContact OD1-OG1 3.08Å; N123-A154 PolarHBondContact OD1-N 3.33Å |
| 124 | K | 98.6 | Very high | 97 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | trans | 73.3 | 37.5 | 179.7 | -45.8 | -169.1 | -164.8 | 168.7 | 0 | 114.4 | S20 D91 I92 D126 L127 T152 | S20-K124 WeakPolarHBondContact O-CE 3.43Å; S20-K124 PolarHBondContact O-NZ 2.86Å; D91-K124 HydrophobicContact CB-CD 4.32Å; D91-K124 WeakPolarHBondContact OD2-CD 3.49Å; D91-K124 VanDerWaalsContact OD2-CE 3.28Å; D91-K124 WeakPolarHBondContact OD2-CE 3.35Å; D91-K124 IonicContact OD2-NZ 2.67Å; D91-K124 PolarHBondContact OD2-NZ 2.82Å; I92-K124 WeakPolarHBondContact CD1-O 3.35Å; K124-D126 WeakPolarHBondContact CA-OD1 3.44Å; K124-D126 PolarHBondContact O-N 3.08Å; K124-D126 VanDerWaalsContact O-N 3.11Å; K124-L127 HydrophobicContact CB-CD1 4.32Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 WeakPolarHBondContact O-CB 3.36Å; K124-L127 PolarHBondContact O-N 3.42Å; K124-T152 PolarHBondContact N-O 3.39Å | ||
| 125 | T | 98.7 | Very high | 97.7 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -61.4 | -16.1 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | I92 L127 S128 E151 T152 S153 | I92-T125 HydrophobicContact CD1-CG2 4.32Å; T125-L127 PolarHBondContact O-N 3.41Å; T125-S128 PolarHBondContact O-N 2.93Å; T125-E151 HydrophobicContact CG2-CB 3.7Å; T125-E151 HydrophobicContact CG2-CG 4.46Å; T125-T152 PolarHBondContact N-O 2.95Å; T125-T152 PolarHBondContact OG1-O 3.01Å; T125-S153 WeakPolarHBondContact OG1-CB 3.22Å |
| 126 | D | 98.5 | Very high | 98.3 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -64.4 | -13.3 | 169 | 58.3 | -73.9 | 0 | 0 | 0 | 113.7 | K124 S153 K155 A156 | K124-D126 WeakPolarHBondContact CA-OD1 3.44Å; K124-D126 PolarHBondContact O-N 3.08Å; K124-D126 VanDerWaalsContact O-N 3.11Å; D126-S153 WeakPolarHBondContact CB-OG 3.17Å; D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 WeakPolarHBondContact OD1-CB 3.01Å; D126-S153 PolarHBondContact OD1-OG 2.9Å; D126-K155 WeakPolarHBondContact OD2-CD 3.34Å; D126-A156 HydrophobicContact CB-CB 4.4Å |
| 127 | L | 97.9 | Very high | 98.5 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 29% | 0.293 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -106.8 | 34.5 | 176.1 | -58.3 | 179.9 | 0 | 0 | 0 | 111.6 | C93 K124 T125 D129 K130 R131 | C93-L127 WeakPolarHBondContact SG-CB 3.39Å; C93-L127 PolarHBondContact SG-O 3.16Å; K124-L127 HydrophobicContact CB-CD1 4.32Å; K124-L127 HydrophobicContact CD-CD1 4.28Å; K124-L127 WeakPolarHBondContact O-CB 3.36Å; K124-L127 PolarHBondContact O-N 3.42Å; T125-L127 PolarHBondContact O-N 3.41Å; L127-D129 PolarHBondContact O-N 3.09Å; L127-D129 VanDerWaalsContact O-N 3.09Å; L127-K130 WeakPolarHBondContact O-CA 3.34Å; L127-K130 PolarHBondContact O-N 3.15Å; L127-R131 PolarHBondContact O-N 3.45Å |
| 128 | S | 97 | Very high | 98.5 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -50.7 | -35.3 | -177.9 | 54 | 0 | 0 | 0 | 0 | 114.1 | T125 K130 R131 | T125-S128 PolarHBondContact O-N 2.93Å; S128-K130 PolarHBondContact O-N 2.81Å; S128-K130 VanDerWaalsContact O-N 3.17Å; S128-R131 WeakPolarHBondContact O-CB 3.47Å; S128-R131 PolarHBondContact O-N 2.84Å |
| 129 | D | 97.9 | Very high | 98.5 | Very high | 162 Ų | 162 | 57.7 Ų | 57.7 | 87% | 0.866 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -67.1 | -16.2 | 179.5 | -55.4 | -26.5 | 0 | 0 | 0 | 113.1 | L127 | L127-D129 PolarHBondContact O-N 3.09Å; L127-D129 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 98.1 | Very high | 98.5 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 61% | 0.613 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -108.5 | 9 | 176.9 | -60.7 | -179.5 | -178.5 | 178 | 0 | 112.3 | C93 L127 S128 K132 | C93-K130 HydrophobicContact CB-CB 4.39Å; L127-K130 WeakPolarHBondContact O-CA 3.34Å; L127-K130 PolarHBondContact O-N 3.15Å; S128-K130 PolarHBondContact O-N 2.81Å; S128-K130 VanDerWaalsContact O-N 3.17Å; K130-K132 PolarHBondContact O-N 3.26Å |
| 131 | R | 98.6 | Very high | 98.5 | Very high | 70 Ų | 70 | 63.4 Ų | 63.4 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | trans | -56.7 | 131.5 | -178.7 | -179.4 | 179.1 | -76.7 | -91.1 | 12.9 | 110.4 | I92 L127 S128 V133 E151 | I92-R131 HydrophobicContact CD1-CB 4.22Å; I92-R131 HydrophobicContact CD1-CG 4.23Å; L127-R131 PolarHBondContact O-N 3.45Å; S128-R131 WeakPolarHBondContact O-CB 3.47Å; S128-R131 PolarHBondContact O-N 2.84Å; R131-V133 WeakPolarHBondContact CD-O 3.37Å; R131-V133 WeakPolarHBondContact CG-O 3.39Å; R131-V133 PolarHBondContact NH1-O 3Å; R131-E151 IonicContact CZ-OE1 3.25Å; R131-E151 IonicContact CZ-OE2 2.78Å; R131-E151 IonicContact NH1-OE1 2.7Å; R131-E151 PolarHBondContact NH1-OE1 3.34Å; R131-E151 IonicContact NH1-OE2 3.45Å; R131-E151 IonicContact NH2-OE1 2.72Å; R131-E151 PolarHBondContact NH2-OE1 3.02Å; R131-E151 IonicContact NH2-OE2 3.71Å; R131-E151 PolarHBondContact NH2-OE2 3.23Å | ||
| 132 | K | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 63.6 Ų | 63.6 | 64% | 0.643 | 32% | 0.318 | S | S | * | . | trans | -117.7 | -10.6 | 173.4 | -60.7 | -166.4 | -174.2 | 179.4 | 0 | 113.2 | I92 C93 A95 K130 | I92-K132 PolarHBondContact O-N 3.27Å; C93-K132 WeakPolarHBondContact O-CD 3.12Å; C93-K132 WeakPolarHBondContact O-CE 2.84Å; C93-K132 WeakPolarHBondContact O-CG 3.17Å; A95-K132 HydrophobicContact CB-CB 4.38Å; K130-K132 PolarHBondContact O-N 3.26Å | ||
| 133 | V | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -126.4 | 120.6 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | Y90 I92 A95 F98 R131 E137 | Y90-V133 HydrophobicContact CE2-CB 4.12Å; Y90-V133 HydrophobicContact CE2-CG1 3.83Å; I92-V133 PolarHBondContact O-N 3.35Å; A95-V133 HydrophobicContact CB-CG2 4.25Å; F98-V133 HydrophobicContact CB-CG1 4.32Å; F98-V133 HydrophobicContact CB-CG2 3.73Å; F98-V133 HydrophobicContact CD1-CG1 4.01Å; F98-V133 HydrophobicContact CD1-CG2 4.23Å; F98-V133 HydrophobicContact CD2-CG1 3.71Å; F98-V133 HydrophobicContact CE1-CG1 4.2Å; F98-V133 HydrophobicContact CE2-CG1 3.9Å; F98-V133 HydrophobicContact CG-CG1 3.75Å; F98-V133 HydrophobicContact CG-CG2 3.98Å; F98-V133 HydrophobicContact CZ-CG1 4.13Å; R131-V133 WeakPolarHBondContact CD-O 3.37Å; R131-V133 WeakPolarHBondContact CG-O 3.39Å; R131-V133 PolarHBondContact NH1-O 3Å; V133-E137 VanDerWaalsContact CA-OE2 3.25Å; V133-E137 WeakPolarHBondContact CA-OE2 3.45Å; V133-E137 HydrophobicContact CG1-CB 3.95Å |
| 134 | T | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 79.7 Ų | 79.7 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | trans | -72.2 | 158.9 | 179 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | E136 E137 G138 | T134-E136 PolarHBondContact O-N 3.29Å; T134-E137 PolarHBondContact N-OE2 3.15Å; T134-E137 PolarHBondContact O-N 2.75Å; T134-E137 WeakPolarHBondContact OG1-CG 3.21Å; T134-E137 PolarHBondContact OG1-N 3.49Å; T134-E137 PolarHBondContact OG1-OE2 3.02Å; T134-G138 PolarHBondContact O-N 3.33Å | ||
| 135 | T | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 78.1 Ų | 78.1 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 172.5 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | E137 G138 E139 F149 E151 | T135-E137 PolarHBondContact O-N 3.22Å; T135-G138 WeakPolarHBondContact O-CA 3.27Å; T135-G138 PolarHBondContact O-N 3.49Å; T135-G138 VanDerWaalsContact O-N 3.15Å; T135-E139 WeakPolarHBondContact O-CG 3.26Å; T135-E139 PolarHBondContact O-N 3.43Å; T135-F149 HydrophobicContact CG2-CE1 4.01Å; T135-F149 HydrophobicContact CG2-CZ 4.5Å; T135-E151 HydrophobicContact CG2-CG 4.28Å; T135-E151 PolarHBondContact OG1-OE1 3.17Å; T135-E151 PolarHBondContact OG1-OE2 2.71Å |
| 136 | E | 98.7 | Very high | 98.4 | Very high | 131 Ų | 131 | 84.9 Ų | 84.9 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 176.7 | -174.1 | 176.8 | -173.2 | 0 | 0 | 112.3 | T134 G138 E139 L140 | T134-E136 PolarHBondContact O-N 3.29Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 3.29Å; E136-E139 PolarHBondContact O-N 3.22Å; E136-L140 HydrophobicContact CG-CD1 4.02Å; E136-L140 HydrophobicContact CG-CG 4.3Å; E136-L140 VanDerWaalsContact O-CB 3.32Å; E136-L140 WeakPolarHBondContact O-CB 3.49Å; E136-L140 VanDerWaalsContact O-CG 3.23Å; E136-L140 WeakPolarHBondContact O-CG 3.41Å; E136-L140 PolarHBondContact O-N 2.88Å |
| 137 | E | 98.8 | Very high | 98.4 | Very high | 85 Ų | 85 | 83.3 Ų | 83.3 | 40% | 0.397 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 173.6 | -74.5 | 172.4 | 134.4 | 0 | 0 | 111.6 | F98 V133 T134 T135 L141 | F98-E137 HydrophobicContact CE1-CB 4.44Å; F98-E137 HydrophobicContact CZ-CB 4.06Å; F98-E137 WeakPolarHBondContact CZ-O 3.49Å; V133-E137 VanDerWaalsContact CA-OE2 3.25Å; V133-E137 WeakPolarHBondContact CA-OE2 3.45Å; V133-E137 HydrophobicContact CG1-CB 3.95Å; T134-E137 PolarHBondContact N-OE2 3.15Å; T134-E137 PolarHBondContact O-N 2.75Å; T134-E137 WeakPolarHBondContact OG1-CG 3.21Å; T134-E137 PolarHBondContact OG1-N 3.49Å; T134-E137 PolarHBondContact OG1-OE2 3.02Å; T135-E137 PolarHBondContact O-N 3.22Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 PolarHBondContact O-N 2.88Å |
| 138 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T134 T135 E136 L141 A142 | T134-G138 PolarHBondContact O-N 3.33Å; T135-G138 WeakPolarHBondContact O-CA 3.27Å; T135-G138 PolarHBondContact O-N 3.49Å; T135-G138 VanDerWaalsContact O-N 3.15Å; E136-G138 VanDerWaalsContact C-N 3.3Å; E136-G138 PolarHBondContact O-N 3.29Å; G138-L141 PolarHBondContact O-N 3.23Å; G138-A142 WeakPolarHBondContact O-CB 3.18Å; G138-A142 PolarHBondContact O-N 3.5Å |
| 139 | E | 98.8 | Very high | 98.5 | Very high | 107 Ų | 107 | 81.6 Ų | 81.6 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 178.2 | -71.9 | 174.7 | 175.6 | 0 | 0 | 112.2 | T135 E136 L141 A142 K143 F149 | T135-E139 WeakPolarHBondContact O-CG 3.26Å; T135-E139 PolarHBondContact O-N 3.43Å; E136-E139 PolarHBondContact O-N 3.22Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.4Å; E139-A142 PolarHBondContact O-N 2.87Å; E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 PolarHBondContact O-N 2.54Å; E139-F149 HydrophobicContact CB-CD1 4.42Å; E139-F149 HydrophobicContact CG-CD1 3.46Å; E139-F149 VanDerWaalsContact CG-CD1 3.46Å; E139-F149 HydrophobicContact CG-CE1 3.53Å; E139-F149 HydrophobicContact CG-CG 4.45Å |
| 140 | L | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 74.2 Ų | 74.2 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.8 | -73.9 | 173.8 | 0 | 0 | 0 | 111.1 | E136 K144 | E136-L140 HydrophobicContact CG-CD1 4.02Å; E136-L140 HydrophobicContact CG-CG 4.3Å; E136-L140 VanDerWaalsContact O-CB 3.32Å; E136-L140 WeakPolarHBondContact O-CB 3.49Å; E136-L140 VanDerWaalsContact O-CG 3.23Å; E136-L140 WeakPolarHBondContact O-CG 3.41Å; E136-L140 PolarHBondContact O-N 2.88Å; L140-K144 VanDerWaalsContact O-CB 3.31Å; L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 PolarHBondContact O-N 3.06Å |
| 141 | L | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 176 | -178.1 | 61.1 | 0 | 0 | 0 | 111.3 | F98 A101 S102 L120 E137 G138 E139 K143 K144 L145 | F98-L141 HydrophobicContact CD2-CD2 3.98Å; F98-L141 HydrophobicContact CE1-CD2 4.37Å; F98-L141 HydrophobicContact CE2-CB 3.92Å; F98-L141 HydrophobicContact CE2-CD2 3.37Å; F98-L141 HydrophobicContact CE2-CG 4.27Å; F98-L141 HydrophobicContact CZ-CB 3.79Å; F98-L141 HydrophobicContact CZ-CD2 3.61Å; F98-L141 HydrophobicContact CZ-CG 4.28Å; A101-L141 HydrophobicContact CB-CD2 4.47Å; S102-L141 WeakPolarHBondContact OG-CD1 3.45Å; L120-L141 HydrophobicContact CD2-CB 4.27Å; L120-L141 HydrophobicContact CD2-CD2 3.97Å; L120-L141 HydrophobicContact CD2-CG 4.13Å; E137-L141 WeakPolarHBondContact O-CB 3.45Å; E137-L141 PolarHBondContact O-N 2.88Å; G138-L141 PolarHBondContact O-N 3.23Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.4Å; L141-K143 VanDerWaalsContact C-N 3.32Å; L141-K143 PolarHBondContact O-N 2.96Å; L141-K144 PolarHBondContact O-N 2.8Å; L141-L145 HydrophobicContact CD1-CD1 3.77Å; L141-L145 HydrophobicContact CD1-CG 3.93Å; L141-L145 HydrophobicContact CD2-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.77Å; L141-L145 HydrophobicContact CG-CG 4.28Å; L141-L145 WeakPolarHBondContact O-CB 3.48Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.29Å |
| 142 | A | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 G138 E139 L145 E146 V147 F149 | L120-A142 HydrophobicContact CB-CB 4.47Å; L120-A142 HydrophobicContact CD2-CB 4.19Å; G138-A142 WeakPolarHBondContact O-CB 3.18Å; G138-A142 PolarHBondContact O-N 3.5Å; E139-A142 PolarHBondContact O-N 2.87Å; A142-L145 CarbonylContact O-C 3.6Å; A142-L145 PolarHBondContact O-N 3.27Å; A142-E146 WeakPolarHBondContact O-CA 3.4Å; A142-E146 PolarHBondContact O-N 3.04Å; A142-V147 HydrophobicContact CB-CG2 4.02Å; A142-V147 PolarHBondContact O-N 3.13Å; A142-F149 HydrophobicContact CB-CB 3.58Å; A142-F149 HydrophobicContact CB-CD2 4.28Å; A142-F149 HydrophobicContact CB-CG 4.17Å |
| 143 | K | 98.6 | Very high | 98.6 | Very high | 170 Ų | 170 | 58.2 Ų | 58.2 | 74% | 0.739 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.7 | -47 | 173.4 | -176.5 | 178.9 | 179.8 | 179.6 | 0 | 111.6 | E139 L141 L145 E146 | E139-K143 WeakPolarHBondContact O-CB 3.32Å; E139-K143 PolarHBondContact O-N 2.54Å; L141-K143 VanDerWaalsContact C-N 3.32Å; L141-K143 PolarHBondContact O-N 2.96Å; K143-L145 VanDerWaalsContact C-N 3.26Å; K143-L145 PolarHBondContact O-N 2.88Å; K143-E146 PolarHBondContact O-N 3.21Å; K143-E146 VanDerWaalsContact O-N 3.11Å |
| 144 | K | 98.4 | Very high | 98.6 | Very high | 171 Ų | 171 | 58.2 Ų | 58.2 | 74% | 0.743 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | 176.4 | 177.4 | -175.5 | 174.8 | -173.7 | 0 | 111.8 | L140 L141 E146 | L140-K144 VanDerWaalsContact O-CB 3.31Å; L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 PolarHBondContact O-N 3.06Å; L141-K144 PolarHBondContact O-N 2.8Å; K144-E146 VanDerWaalsContact C-N 3.32Å |
| 145 | L | 97.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.068 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -84.6 | -4.5 | 179.1 | -65.8 | 177.2 | 0 | 0 | 0 | 112.6 | V105 R109 L141 A142 K143 V147 | V105-L145 HydrophobicContact CB-CD1 4.24Å; V105-L145 HydrophobicContact CG1-CD1 4.41Å; V105-L145 HydrophobicContact CG2-CD1 3.97Å; R109-L145 PolarHBondContact NH1-O 2.95Å; R109-L145 PolarHBondContact NH2-O 3.08Å; L141-L145 HydrophobicContact CD1-CD1 3.77Å; L141-L145 HydrophobicContact CD1-CG 3.93Å; L141-L145 HydrophobicContact CD2-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.77Å; L141-L145 HydrophobicContact CG-CG 4.28Å; L141-L145 WeakPolarHBondContact O-CB 3.48Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.43Å; L141-L145 PolarHBondContact O-N 3.29Å; A142-L145 CarbonylContact O-C 3.6Å; A142-L145 PolarHBondContact O-N 3.27Å; K143-L145 VanDerWaalsContact C-N 3.26Å; K143-L145 PolarHBondContact O-N 2.88Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 HydrophobicContact CB-CG1 4.2Å; L145-V147 HydrophobicContact CB-CG2 4.03Å; L145-V147 WeakPolarHBondContact O-CG1 3.25Å; L145-V147 PolarHBondContact O-N 3.32Å |
| 146 | E | 97.5 | Very high | 98.5 | Very high | 165 Ų | 165 | 60.9 Ų | 60.9 | 77% | 0.771 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 45.9 | -175.8 | -56.1 | 179.7 | 154.3 | 0 | 0 | 113 | A142 K143 K144 | A142-E146 WeakPolarHBondContact O-CA 3.4Å; A142-E146 PolarHBondContact O-N 3.04Å; K143-E146 PolarHBondContact O-N 3.21Å; K143-E146 VanDerWaalsContact O-N 3.11Å; K144-E146 VanDerWaalsContact C-N 3.32Å |
| 147 | V | 98.2 | Very high | 98.5 | Very high | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | trans | -124.3 | 160.3 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | V105 I118 L120 A142 L145 | V105-V147 HydrophobicContact CG1-CG1 4.17Å; I118-V147 HydrophobicContact CB-CB 4.12Å; I118-V147 HydrophobicContact CB-CG1 3.64Å; I118-V147 HydrophobicContact CD1-CG1 4.4Å; I118-V147 HydrophobicContact CG2-CB 4.17Å; I118-V147 HydrophobicContact CG2-CG1 3.73Å; I118-V147 WeakPolarHBondContact O-CB 3.36Å; L120-V147 HydrophobicContact CB-CG2 4.04Å; A142-V147 HydrophobicContact CB-CG2 4.02Å; A142-V147 PolarHBondContact O-N 3.13Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 HydrophobicContact CB-CG1 4.2Å; L145-V147 HydrophobicContact CB-CG2 4.03Å; L145-V147 WeakPolarHBondContact O-CG1 3.25Å; L145-V147 PolarHBondContact O-N 3.32Å | ||
| 148 | M | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 58 Ų | 58 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 157.7 | 173 | -70.2 | -172 | -66.6 | 0 | 0 | 111.2 | I117 I118 I119 L120 E170 | I117-M148 HydrophobicContact CG2-CE 3.19Å; I118-M148 PolarHBondContact O-N 2.85Å; I119-M148 WeakPolarHBondContact CA-O 3.45Å; I119-M148 HydrophobicContact CB-CB 4Å; I119-M148 HydrophobicContact CB-CE 4.19Å; I119-M148 HydrophobicContact CD1-CB 3.87Å; I119-M148 HydrophobicContact CD1-CE 4.32Å; I119-M148 HydrophobicContact CG1-CB 3.83Å; L120-M148 PolarHBondContact N-O 2.79Å; M148-E170 HydrophobicContact CE-CG 4.44Å |
| 149 | F | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144 | 176.5 | -178 | -113.5 | 0 | 0 | 0 | 112.6 | Y90 L120 T135 E139 A142 E151 | Y90-F149 HydrophobicContact CE1-CE2 4.2Å; L120-F149 HydrophobicContact CB-CD2 4.23Å; L120-F149 HydrophobicContact CD2-CD2 4.2Å; L120-F149 HydrophobicContact CG-CD2 4.2Å; L120-F149 WeakPolarHBondContact O-CA 3.48Å; L120-F149 WeakPolarHBondContact O-CD2 3.46Å; T135-F149 HydrophobicContact CG2-CE1 4.01Å; T135-F149 HydrophobicContact CG2-CZ 4.5Å; E139-F149 HydrophobicContact CB-CD1 4.42Å; E139-F149 HydrophobicContact CG-CD1 3.46Å; E139-F149 VanDerWaalsContact CG-CD1 3.46Å; E139-F149 HydrophobicContact CG-CE1 3.53Å; E139-F149 HydrophobicContact CG-CG 4.45Å; A142-F149 HydrophobicContact CB-CB 3.58Å; A142-F149 HydrophobicContact CB-CD2 4.28Å; A142-F149 HydrophobicContact CB-CG 4.17Å; F149-E151 HydrophobicContact CE1-CG 3.98Å; F149-E151 HydrophobicContact CE2-CG 4.42Å; F149-E151 HydrophobicContact CZ-CG 3.54Å |
| 150 | I | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 145.1 | 166.4 | -167.9 | 167.8 | 0 | 0 | 0 | 110.5 | I119 L120 V121 G122 T152 N159 V162 L163 | I119-I150 HydrophobicContact CD1-CB 4.47Å; I119-I150 HydrophobicContact CD1-CG2 3.8Å; I119-I150 HydrophobicContact CG1-CG2 4.27Å; L120-I150 PolarHBondContact O-N 3.33Å; L120-I150 VanDerWaalsContact O-N 3.15Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.3Å; V121-I150 HydrophobicContact CG1-CG2 4.5Å; V121-I150 HydrophobicContact CG2-CG2 4.1Å; G122-I150 PolarHBondContact N-O 2.71Å; G122-I150 VanDerWaalsContact N-O 3.09Å; I150-T152 HydrophobicContact CG2-CG2 4.31Å; I150-N159 HydrophobicContact CD1-CB 3.87Å; I150-N159 HydrophobicContact CG1-CB 4.17Å; I150-V162 HydrophobicContact CD1-CB 4.13Å; I150-V162 HydrophobicContact CD1-CG1 3.79Å; I150-L163 HydrophobicContact CD1-CB 4.42Å; I150-L163 HydrophobicContact CG2-CB 4.25Å; I150-L163 HydrophobicContact CG2-CD1 3.74Å; I150-L163 HydrophobicContact CG2-CG 4.48Å |
| 151 | E | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.1 | 166.2 | -64.3 | -162.5 | 142.6 | 0 | 0 | 111.7 | G122 T125 R131 T135 F149 N159 | G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.44Å; T125-E151 HydrophobicContact CG2-CB 3.7Å; T125-E151 HydrophobicContact CG2-CG 4.46Å; R131-E151 IonicContact CZ-OE1 3.25Å; R131-E151 IonicContact CZ-OE2 2.78Å; R131-E151 IonicContact NH1-OE1 2.7Å; R131-E151 PolarHBondContact NH1-OE1 3.34Å; R131-E151 IonicContact NH1-OE2 3.45Å; R131-E151 IonicContact NH2-OE1 2.72Å; R131-E151 PolarHBondContact NH2-OE1 3.02Å; R131-E151 IonicContact NH2-OE2 3.71Å; R131-E151 PolarHBondContact NH2-OE2 3.23Å; T135-E151 HydrophobicContact CG2-CG 4.28Å; T135-E151 PolarHBondContact OG1-OE1 3.17Å; T135-E151 PolarHBondContact OG1-OE2 2.71Å; F149-E151 HydrophobicContact CE1-CG 3.98Å; F149-E151 HydrophobicContact CE2-CG 4.42Å; F149-E151 HydrophobicContact CZ-CG 3.54Å; E151-N159 WeakPolarHBondContact O-CB 3.19Å; E151-N159 PolarHBondContact O-ND2 3.09Å |
| 152 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 158.7 | -176.8 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | L26 V121 G122 N123 K124 T125 I150 Y158 N159 L163 | L26-T152 HydrophobicContact CD2-CG2 4.41Å; L26-T152 WeakPolarHBondContact CD2-OG1 3.21Å; V121-T152 HydrophobicContact CG1-CG2 3.86Å; V121-T152 VanDerWaalsContact CG1-OG1 3.31Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.44Å; G122-T152 PolarHBondContact O-N 3.35Å; N123-T152 CarbonylContact C-O 3.49Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.3Å; N123-T152 PolarHBondContact OD1-O 2.99Å; N123-T152 PolarHBondContact OD1-OG1 3.41Å; N123-T152 VanDerWaalsContact OD1-OG1 3.08Å; K124-T152 PolarHBondContact N-O 3.39Å; T125-T152 PolarHBondContact N-O 2.95Å; T125-T152 PolarHBondContact OG1-O 3.01Å; I150-T152 HydrophobicContact CG2-CG2 4.31Å; T152-Y158 WeakPolarHBondContact CA-O 3.39Å; T152-N159 HydrophobicContact CG2-CB 3.99Å; T152-L163 HydrophobicContact CG2-CB 4.31Å; T152-L163 HydrophobicContact CG2-CD2 4.18Å |
| 153 | S | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | trans | -126.5 | 111.7 | 157.4 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | T125 D126 K155 A156 G157 Y158 | T125-S153 WeakPolarHBondContact OG1-CB 3.22Å; D126-S153 WeakPolarHBondContact CB-OG 3.17Å; D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 WeakPolarHBondContact OD1-CB 3.01Å; D126-S153 PolarHBondContact OD1-OG 2.9Å; S153-K155 PolarHBondContact O-N 2.87Å; S153-K155 PolarHBondContact OG-N 3.24Å; S153-A156 WeakPolarHBondContact OG-CB 3.2Å; S153-A156 PolarHBondContact OG-N 3.08Å; S153-G157 CarbonylContact O-C 3.4Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.28Å; S153-G157 PolarHBondContact O-N 3.08Å; S153-Y158 PolarHBondContact N-O 2.83Å; S153-Y158 PolarHBondContact O-N 2.99Å; S153-Y158 VanDerWaalsContact O-N 3.11Å | ||
| 154 | A | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -37 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L26 R29 F35 N123 | L26-A154 HydrophobicContact CD2-CB 3.93Å; L26-A154 HydrophobicContact CG-CB 4.15Å; R29-A154 PolarHBondContact NE-O 2.82Å; F35-A154 HydrophobicContact CD2-CB 4.21Å; F35-A154 HydrophobicContact CE2-CB 4.26Å; N123-A154 PolarHBondContact OD1-N 3.33Å |
| 155 | K | 98.2 | Very high | 98.3 | Very high | 98 Ų | 98 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -51.1 | -179.5 | -172 | -177.3 | -174 | -178.7 | 0 | 111.9 | R29 F35 D126 S153 G157 | R29-K155 PolarHBondContact NH2-O 2.62Å; F35-K155 HydrophobicContact CD1-CB 4.27Å; F35-K155 HydrophobicContact CD1-CG 3.88Å; F35-K155 HydrophobicContact CD2-CB 4.11Å; F35-K155 HydrophobicContact CE1-CB 4.07Å; F35-K155 HydrophobicContact CE1-CD 4.22Å; F35-K155 HydrophobicContact CE1-CG 3.76Å; F35-K155 HydrophobicContact CE2-CB 3.91Å; F35-K155 HydrophobicContact CE2-CG 4.49Å; F35-K155 HydrophobicContact CG-CB 4.29Å; F35-K155 HydrophobicContact CG-CG 4.31Å; F35-K155 HydrophobicContact CZ-CB 3.89Å; F35-K155 HydrophobicContact CZ-CG 4.09Å; D126-K155 WeakPolarHBondContact OD2-CD 3.34Å; S153-K155 PolarHBondContact O-N 2.87Å; S153-K155 PolarHBondContact OG-N 3.24Å; K155-G157 VanDerWaalsContact C-N 3.33Å |
| 156 | A | 97.8 | Very high | 98.3 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D126 S153 Y158 | D126-A156 HydrophobicContact CB-CB 4.4Å; S153-A156 WeakPolarHBondContact OG-CB 3.2Å; S153-A156 PolarHBondContact OG-N 3.08Å; A156-Y158 PolarHBondContact O-N 3.47Å |
| 157 | G | 98.2 | Very high | 98.3 | Very high | 29 Ų | 29 | 46 Ų | 46 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | trans | 75.9 | 2.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S153 K155 N159 V160 | S153-G157 CarbonylContact O-C 3.4Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.28Å; S153-G157 PolarHBondContact O-N 3.08Å; K155-G157 VanDerWaalsContact C-N 3.33Å; G157-N159 PolarHBondContact O-N 3.23Å; G157-V160 PolarHBondContact O-N 3.05Å | ||
| 158 | Y | 98.6 | Very high | 98.2 | Very high | 127 Ų | 127 | 44.9 Ų | 44.9 | 50% | 0.498 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 128.2 | -178.3 | 177.9 | -104.8 | 0 | 0 | 0 | 111.5 | T152 S153 A156 V160 | T152-Y158 WeakPolarHBondContact CA-O 3.39Å; S153-Y158 PolarHBondContact N-O 2.83Å; S153-Y158 PolarHBondContact O-N 2.99Å; S153-Y158 VanDerWaalsContact O-N 3.11Å; A156-Y158 PolarHBondContact O-N 3.47Å; Y158-V160 PolarHBondContact O-N 2.8Å |
| 159 | N | 98.7 | Very high | 98 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 4.4 | 179.5 | -79.3 | -12.4 | 0 | 0 | 0 | 117.2 | I150 E151 T152 G157 V162 L163 | I150-N159 HydrophobicContact CD1-CB 3.87Å; I150-N159 HydrophobicContact CG1-CB 4.17Å; E151-N159 WeakPolarHBondContact O-CB 3.19Å; E151-N159 PolarHBondContact O-ND2 3.09Å; T152-N159 HydrophobicContact CG2-CB 3.99Å; G157-N159 PolarHBondContact O-N 3.23Å; N159-V162 HydrophobicContact CB-CB 4.48Å; N159-V162 PolarHBondContact O-N 2.84Å; N159-L163 WeakPolarHBondContact O-CB 3.22Å; N159-L163 PolarHBondContact O-N 3.21Å |
| 160 | V | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -51.4 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | L26 R29 F30 G157 Y158 V162 L163 F164 | L26-V160 HydrophobicContact CD2-CG2 3.81Å; R29-V160 HydrophobicContact CB-CG1 4.33Å; R29-V160 HydrophobicContact CG-CB 4.15Å; R29-V160 HydrophobicContact CG-CG1 4.01Å; R29-V160 HydrophobicContact CG-CG2 3.92Å; F30-V160 HydrophobicContact CB-CG1 3.87Å; G157-V160 PolarHBondContact O-N 3.05Å; Y158-V160 PolarHBondContact O-N 2.8Å; V160-V162 PolarHBondContact O-N 3.3Å; V160-L163 WeakPolarHBondContact O-CB 3.22Å; V160-L163 PolarHBondContact O-N 3.02Å; V160-F164 HydrophobicContact CG1-CD2 4.19Å; V160-F164 HydrophobicContact CG1-CE2 4.02Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.48Å; V160-F164 PolarHBondContact O-N 3.46Å |
| 161 | K | 97.8 | Very high | 97.7 | Very high | 134 Ų | 134 | 46.8 Ų | 46.8 | 58% | 0.583 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.1 | -35.3 | 176.3 | -68 | -177.3 | 179.3 | 179.3 | 0 | 112.2 | E33 R165 | E33-K161 WeakPolarHBondContact OE1-CE 3.44Å; E33-K161 IonicContact OE1-NZ 2.7Å; E33-K161 PolarHBondContact OE1-NZ 3.01Å; K161-R165 WeakPolarHBondContact O-CB 3.22Å; K161-R165 PolarHBondContact O-N 2.97Å |
| 162 | V | 98.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 26% | 0.261 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 111 | I150 N159 V160 R165 R166 | I150-V162 HydrophobicContact CD1-CB 4.13Å; I150-V162 HydrophobicContact CD1-CG1 3.79Å; N159-V162 HydrophobicContact CB-CB 4.48Å; N159-V162 PolarHBondContact O-N 2.84Å; V160-V162 PolarHBondContact O-N 3.3Å; V162-R165 PolarHBondContact O-N 2.77Å; V162-R166 HydrophobicContact CG1-CG 4.32Å; V162-R166 WeakPolarHBondContact O-CB 3.41Å; V162-R166 WeakPolarHBondContact O-CG 3.3Å; V162-R166 PolarHBondContact O-N 2.78Å |
| 163 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.7 | -55.4 | 175.2 | 165.6 | 62.5 | 0 | 0 | 0 | 111.1 | V87 I119 V121 I150 T152 N159 V160 R165 R166 I167 | V87-L163 HydrophobicContact CG1-CD2 4.44Å; I119-L163 HydrophobicContact CD1-CD1 3.64Å; I119-L163 HydrophobicContact CG1-CD1 4.19Å; I119-L163 HydrophobicContact CG2-CD1 4.03Å; V121-L163 HydrophobicContact CG1-CD2 4.3Å; V121-L163 HydrophobicContact CG2-CD1 3.77Å; V121-L163 HydrophobicContact CG2-CD2 4.06Å; I150-L163 HydrophobicContact CD1-CB 4.42Å; I150-L163 HydrophobicContact CG2-CB 4.25Å; I150-L163 HydrophobicContact CG2-CD1 3.74Å; I150-L163 HydrophobicContact CG2-CG 4.48Å; T152-L163 HydrophobicContact CG2-CB 4.31Å; T152-L163 HydrophobicContact CG2-CD2 4.18Å; N159-L163 WeakPolarHBondContact O-CB 3.22Å; N159-L163 PolarHBondContact O-N 3.21Å; V160-L163 WeakPolarHBondContact O-CB 3.22Å; V160-L163 PolarHBondContact O-N 3.02Å; L163-R165 PolarHBondContact O-N 2.96Å; L163-R166 PolarHBondContact O-N 3.3Å; L163-I167 HydrophobicContact CD1-CD1 3.71Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 4.18Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 3.25Å; L163-I167 VanDerWaalsContact O-N 3.12Å |
| 164 | F | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -36.6 | -178.2 | -74.9 | -87.8 | 0 | 0 | 0 | 112.6 | L13 F15 F30 M52 L61 L63 V160 A168 | L13-F164 HydrophobicContact CD2-CD1 4.24Å; L13-F164 HydrophobicContact CD2-CE1 4.32Å; F15-F164 HydrophobicContact CE1-CZ 4.04Å; F15-F164 HydrophobicContact CE2-CE1 4.21Å; F15-F164 HydrophobicContact CE2-CZ 4.35Å; F15-F164 AromaticContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE2 4.45Å; F15-F164 AromaticContact CZ-CZ 3.4Å; F15-F164 HydrophobicContact CZ-CZ 3.4Å; F15-F164 VanDerWaalsContact CZ-CZ 3.4Å; F30-F164 HydrophobicContact CB-CD2 3.67Å; F30-F164 HydrophobicContact CB-CE1 4.48Å; F30-F164 HydrophobicContact CB-CE2 3.28Å; F30-F164 HydrophobicContact CB-CG 4.45Å; F30-F164 HydrophobicContact CB-CZ 3.73Å; F30-F164 AromaticContact CD1-CD1 3.66Å; F30-F164 HydrophobicContact CD1-CD1 3.66Å; F30-F164 AromaticContact CD1-CD2 3.91Å; F30-F164 HydrophobicContact CD1-CD2 3.91Å; F30-F164 AromaticContact CD1-CE1 3.53Å; F30-F164 HydrophobicContact CD1-CE1 3.53Å; F30-F164 AromaticContact CD1-CE2 3.84Å; F30-F164 HydrophobicContact CD1-CE2 3.84Å; F30-F164 AromaticContact CD1-CG 3.84Å; F30-F164 HydrophobicContact CD1-CG 3.84Å; F30-F164 AromaticContact CD1-CZ 3.62Å; F30-F164 HydrophobicContact CD1-CZ 3.62Å; F30-F164 HydrophobicContact CD2-CB 3.89Å; F30-F164 HydrophobicContact CD2-CD1 4.27Å; F30-F164 AromaticContact CD2-CD2 3.41Å; F30-F164 HydrophobicContact CD2-CD2 3.41Å; F30-F164 VanDerWaalsContact CD2-CD2 3.41Å; F30-F164 AromaticContact CD2-CE2 3.97Å; F30-F164 HydrophobicContact CD2-CE2 3.97Å; F30-F164 AromaticContact CD2-CG 3.59Å; F30-F164 HydrophobicContact CD2-CG 3.59Å; F30-F164 HydrophobicContact CE1-CB 4.42Å; F30-F164 AromaticContact CE1-CD1 3.61Å; F30-F164 HydrophobicContact CE1-CD1 3.61Å; F30-F164 HydrophobicContact CE1-CD2 4.43Å; F30-F164 AromaticContact CE1-CE1 3.86Å; F30-F164 HydrophobicContact CE1-CE1 3.86Å; F30-F164 AromaticContact CE1-CG 3.91Å; F30-F164 HydrophobicContact CE1-CG 3.91Å; F30-F164 HydrophobicContact CE1-CZ 4.39Å; F30-F164 HydrophobicContact CE2-CB 3.56Å; F30-F164 HydrophobicContact CE2-CD1 4.23Å; F30-F164 HydrophobicContact CE2-CD2 4Å; F30-F164 AromaticContact CE2-CG 3.68Å; F30-F164 HydrophobicContact CE2-CG 3.68Å; F30-F164 HydrophobicContact CG-CB 4.46Å; F30-F164 AromaticContact CG-CD1 4Å; F30-F164 HydrophobicContact CG-CD1 4Å; F30-F164 AromaticContact CG-CD2 3.36Å; F30-F164 HydrophobicContact CG-CD2 3.36Å; F30-F164 AromaticContact CG-CE1 3.99Å; F30-F164 HydrophobicContact CG-CE1 3.99Å; F30-F164 AromaticContact CG-CE2 3.42Å; F30-F164 HydrophobicContact CG-CE2 3.42Å; F30-F164 VanDerWaalsContact CG-CE2 3.42Å; F30-F164 AromaticContact CG-CG 3.68Å; F30-F164 HydrophobicContact CG-CG 3.68Å; F30-F164 AromaticContact CG-CZ 3.71Å; F30-F164 HydrophobicContact CG-CZ 3.71Å; F30-F164 HydrophobicContact CZ-CB 3.87Å; F30-F164 AromaticContact CZ-CD1 3.92Å; F30-F164 HydrophobicContact CZ-CD1 3.92Å; F30-F164 HydrophobicContact CZ-CD2 4.47Å; F30-F164 AromaticContact CZ-CG 3.84Å; F30-F164 HydrophobicContact CZ-CG 3.84Å; M52-F164 HydrophobicContact SD-CB 4.29Å; L61-F164 HydrophobicContact CD1-CD1 4.03Å; L63-F164 HydrophobicContact CD1-CE1 4.05Å; L63-F164 HydrophobicContact CD2-CD1 4.48Å; L63-F164 HydrophobicContact CD2-CE1 3.84Å; V160-F164 HydrophobicContact CG1-CD2 4.19Å; V160-F164 HydrophobicContact CG1-CE2 4.02Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.48Å; V160-F164 PolarHBondContact O-N 3.46Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.27Å; F164-A168 PolarHBondContact O-N 2.89Å |
| 165 | R | 97.1 | Very high | 95 | Very high | 151 Ų | 151 | 58 Ų | 58 | 57% | 0.57 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 175.2 | -169.9 | 174.9 | 71.1 | 178 | 3.6 | 111.8 | K161 V162 L163 A168 T169 | K161-R165 WeakPolarHBondContact O-CB 3.22Å; K161-R165 PolarHBondContact O-N 2.97Å; V162-R165 PolarHBondContact O-N 2.77Å; L163-R165 PolarHBondContact O-N 2.96Å; R165-A168 PolarHBondContact O-N 3.43Å; R165-T169 WeakPolarHBondContact O-CB 3.5Å; R165-T169 PolarHBondContact O-N 3.37Å; R165-T169 PolarHBondContact O-OG1 2.97Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å |
| 166 | R | 97.2 | Very high | 93.3 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 48% | 0.479 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 177.3 | -76.9 | -177.2 | 178.5 | -169.8 | -1 | 111.8 | V162 L163 A168 T169 E170 | V162-R166 HydrophobicContact CG1-CG 4.32Å; V162-R166 WeakPolarHBondContact O-CB 3.41Å; V162-R166 WeakPolarHBondContact O-CG 3.3Å; V162-R166 PolarHBondContact O-N 2.78Å; L163-R166 PolarHBondContact O-N 3.3Å; R166-A168 VanDerWaalsContact C-N 3.34Å; R166-A168 PolarHBondContact O-N 3.37Å; R166-T169 PolarHBondContact O-N 2.75Å; R166-E170 WeakPolarHBondContact O-CB 3.39Å; R166-E170 PolarHBondContact O-N 3Å |
| 167 | I | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.9 | -62.6 | 162.9 | 0 | 0 | 0 | 110.6 | L13 A85 V87 I119 L163 E170 L171 | L13-I167 HydrophobicContact CD1-CG2 4.26Å; L13-I167 HydrophobicContact CD2-CD1 4.09Å; L13-I167 HydrophobicContact CD2-CG2 3.88Å; L13-I167 HydrophobicContact CG-CG2 4.12Å; A85-I167 HydrophobicContact CB-CG2 3.71Å; V87-I167 HydrophobicContact CG2-CD1 3.63Å; I119-I167 HydrophobicContact CG2-CD1 3.89Å; I119-I167 HydrophobicContact CG2-CG1 4.04Å; L163-I167 HydrophobicContact CD1-CD1 3.71Å; L163-I167 HydrophobicContact CD1-CG1 4.32Å; L163-I167 HydrophobicContact CG-CD1 4.18Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 3.25Å; L163-I167 VanDerWaalsContact O-N 3.12Å; I167-E170 PolarHBondContact O-N 2.72Å; I167-L171 HydrophobicContact CG2-CD1 3.6Å; I167-L171 HydrophobicContact CG2-CG 4.23Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CD1 3.36Å; I167-L171 VanDerWaalsContact O-CG 3.25Å; I167-L171 WeakPolarHBondContact O-CG 3.39Å; I167-L171 PolarHBondContact O-N 2.77Å |
| 168 | A | 96.3 | Very high | 89 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M52 L54 I59 F164 R165 R166 V172 | M52-A168 HydrophobicContact CE-CB 4.08Å; M52-A168 HydrophobicContact SD-CB 4.3Å; L54-A168 HydrophobicContact CD1-CB 4.27Å; L54-A168 HydrophobicContact CD2-CB 4.06Å; I59-A168 HydrophobicContact CD1-CB 3.63Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.27Å; F164-A168 PolarHBondContact O-N 2.89Å; R165-A168 PolarHBondContact O-N 3.43Å; R166-A168 VanDerWaalsContact C-N 3.34Å; R166-A168 PolarHBondContact O-N 3.37Å; A168-V172 WeakPolarHBondContact O-CB 3.46Å; A168-V172 WeakPolarHBondContact O-CG2 3.13Å; A168-V172 PolarHBondContact O-N 2.86Å |
| 169 | T | 94.6 | Very high | 86.5 | Confident | 58 Ų | 58 | 61 Ų | 61 | 36% | 0.356 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61 | -49.9 | 176.2 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | R165 R166 L171 V172 D173 | R165-T169 WeakPolarHBondContact O-CB 3.5Å; R165-T169 PolarHBondContact O-N 3.37Å; R165-T169 PolarHBondContact O-OG1 2.97Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å; R166-T169 PolarHBondContact O-N 2.75Å; T169-L171 PolarHBondContact O-N 3.39Å; T169-V172 WeakPolarHBondContact O-CB 3.26Å; T169-V172 PolarHBondContact O-N 3.42Å; T169-V172 VanDerWaalsContact O-N 3.08Å; T169-D173 WeakPolarHBondContact CG2-OD2 3.08Å; T169-D173 VanDerWaalsContact O-CG 3.29Å; T169-D173 PolarHBondContact O-N 2.7Å |
| 170 | E | 95.1 | Very high | 83.8 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | -179.5 | -174.6 | 62 | -147.8 | 0 | 0 | 112.4 | I117 M148 R166 I167 V172 D173 Q174 | I117-E170 HydrophobicContact CD1-CB 3.89Å; I117-E170 HydrophobicContact CD1-CG 3.41Å; I117-E170 VanDerWaalsContact CD1-CG 3.41Å; I117-E170 HydrophobicContact CG1-CG 3.73Å; I117-E170 HydrophobicContact CG2-CG 4.23Å; M148-E170 HydrophobicContact CE-CG 4.44Å; R166-E170 WeakPolarHBondContact O-CB 3.39Å; R166-E170 PolarHBondContact O-N 3Å; I167-E170 PolarHBondContact O-N 2.72Å; E170-V172 PolarHBondContact O-N 2.87Å; E170-D173 PolarHBondContact O-N 2.82Å; E170-Q174 WeakPolarHBondContact O-CG 3.47Å; E170-Q174 PolarHBondContact O-N 3.31Å; E170-Q174 PolarHBondContact OE1-NE2 3.4Å |
| 171 | L | 94.5 | Very high | 81 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.7 | -33.5 | 177.1 | -80 | 167.1 | 0 | 0 | 0 | 113.3 | F11 L13 A85 I117 I167 T169 | F11-L171 HydrophobicContact CB-CD1 3.76Å; F11-L171 HydrophobicContact CD1-CB 3.93Å; F11-L171 HydrophobicContact CD1-CD1 4.04Å; F11-L171 HydrophobicContact CD1-CD2 3.72Å; F11-L171 HydrophobicContact CD1-CG 4.14Å; F11-L171 HydrophobicContact CD2-CB 4.4Å; F11-L171 HydrophobicContact CD2-CD1 4.4Å; F11-L171 HydrophobicContact CE1-CB 3.75Å; F11-L171 HydrophobicContact CE1-CD2 4.06Å; F11-L171 HydrophobicContact CE1-CG 4.4Å; F11-L171 HydrophobicContact CE2-CB 4.26Å; F11-L171 HydrophobicContact CG-CB 4.22Å; F11-L171 HydrophobicContact CG-CD1 3.84Å; F11-L171 HydrophobicContact CG-CD2 4.36Å; F11-L171 HydrophobicContact CG-CG 4.4Å; F11-L171 HydrophobicContact CZ-CB 3.92Å; F11-L171 WeakPolarHBondContact CZ-O 3.44Å; L13-L171 HydrophobicContact CD1-CD1 3.91Å; A85-L171 HydrophobicContact CB-CD1 4.31Å; A85-L171 HydrophobicContact CB-CD2 4.35Å; I117-L171 HydrophobicContact CD1-CB 4.18Å; I117-L171 HydrophobicContact CD1-CD2 3.55Å; I117-L171 HydrophobicContact CD1-CG 3.56Å; I167-L171 HydrophobicContact CG2-CD1 3.6Å; I167-L171 HydrophobicContact CG2-CG 4.23Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CD1 3.36Å; I167-L171 VanDerWaalsContact O-CG 3.25Å; I167-L171 WeakPolarHBondContact O-CG 3.39Å; I167-L171 PolarHBondContact O-N 2.77Å; T169-L171 PolarHBondContact O-N 3.39Å |
| 172 | V | 92.2 | Very high | 78.5 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -82.3 | -38.6 | -175.5 | 161.1 | 0 | 0 | 0 | 0 | 110.8 | F11 L54 I59 A168 T169 E170 K175 S176 | F11-V172 HydrophobicContact CE2-CG2 3.77Å; F11-V172 HydrophobicContact CZ-CG2 4.07Å; L54-V172 HydrophobicContact CD1-CB 4.34Å; L54-V172 HydrophobicContact CD1-CG1 4.42Å; L54-V172 HydrophobicContact CD1-CG2 3.79Å; I59-V172 HydrophobicContact CD1-CG2 4.45Å; I59-V172 HydrophobicContact CG2-CG2 3.97Å; A168-V172 WeakPolarHBondContact O-CB 3.46Å; A168-V172 WeakPolarHBondContact O-CG2 3.13Å; A168-V172 PolarHBondContact O-N 2.86Å; T169-V172 WeakPolarHBondContact O-CB 3.26Å; T169-V172 PolarHBondContact O-N 3.42Å; T169-V172 VanDerWaalsContact O-N 3.08Å; E170-V172 PolarHBondContact O-N 2.87Å; V172-K175 PolarHBondContact O-N 2.83Å; V172-S176 PolarHBondContact O-N 2.91Å; V172-S176 PolarHBondContact O-OG 3.11Å |
| 173 | D | 89.6 | Confident | 75.8 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.1 | -39.4 | 177.3 | -68.6 | -16.2 | 0 | 0 | 0 | 111.4 | T169 E170 K175 S176 S179 | T169-D173 WeakPolarHBondContact CG2-OD2 3.08Å; T169-D173 VanDerWaalsContact O-CG 3.29Å; T169-D173 PolarHBondContact O-N 2.7Å; E170-D173 PolarHBondContact O-N 2.82Å; D173-K175 PolarHBondContact O-N 3.48Å; D173-S176 PolarHBondContact O-N 3.03Å; D173-S179 PolarHBondContact O-OG 2.88Å; D173-S179 VanDerWaalsContact O-OG 3.06Å |
| 174 | Q | 84.5 | Confident | 73.1 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24 | 175.5 | -71.9 | -176.1 | 5.5 | 0 | 0 | 113.9 | E170 | E170-Q174 WeakPolarHBondContact O-CG 3.47Å; E170-Q174 PolarHBondContact O-N 3.31Å; E170-Q174 PolarHBondContact OE1-NE2 3.4Å |
| 175 | K | 72.6 | Confident | 70.6 | Confident | 109 Ų | 109 | 96.3 Ų | 96.3 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -7.6 | 179.6 | -72.6 | -161.6 | -179.7 | 179.5 | 0 | 114.4 | F11 V172 D173 P177 | F11-K175 HydrophobicContact CE1-CD 3.7Å; F11-K175 HydrophobicContact CE1-CG 4.44Å; F11-K175 HydrophobicContact CZ-CD 4.1Å; V172-K175 PolarHBondContact O-N 2.83Å; D173-K175 PolarHBondContact O-N 3.48Å; K175-P177 VanDerWaalsContact O-CD 3.28Å; K175-P177 WeakPolarHBondContact O-CD 3.48Å |
| 176 | S | 62.7 | Low | 68 | Low | 20 Ų | 20 | 97.3 Ų | 97.3 | 14% | 0.14 | 48% | 0.477 | C | S | . | . | trans | -71.7 | 118 | 178.4 | -67.6 | 0 | 0 | 0 | 0 | 107.9 | R57 V172 D173 L178 S179 | R57-S176 PolarHBondContact NH1-OG 3.44Å; R57-S176 PolarHBondContact NH2-OG 2.94Å; V172-S176 PolarHBondContact O-N 2.91Å; V172-S176 PolarHBondContact O-OG 3.11Å; D173-S176 PolarHBondContact O-N 3.03Å; S176-L178 PolarHBondContact O-N 3.39Å; S176-S179 PolarHBondContact O-N 2.56Å; S176-S179 PolarHBondContact O-OG 3.11Å; S176-S179 VanDerWaalsContact O-OG 3.11Å | ||
| 177 | P | 55.6 | Low | 65.5 | Low | 124 Ų | 124 | 98.6 Ų | 98.6 | 81% | 0.805 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -59.1 | -18.8 | -177.9 | -21.8 | 32.1 | 0 | 0 | 0 | 113.2 | K175 | K175-P177 VanDerWaalsContact O-CD 3.28Å; K175-P177 WeakPolarHBondContact O-CD 3.48Å |
| 178 | L | 50.5 | Low | 63.1 | Low | 172 Ų | 172 | 107.2 Ų | 107.2 | 90% | 0.901 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -81.3 | -7.3 | -172.9 | -70.2 | 156.8 | 0 | 0 | 0 | 114.6 | S176 | S176-L178 PolarHBondContact O-N 3.39Š|
| 179 | S | 45.8 | Very low | 60.6 | Low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -107.2 | -2.1 | -175.4 | 53.8 | 0 | 0 | 0 | 0 | 115 | D173 S176 | D173-S179 PolarHBondContact O-OG 2.88Å; D173-S179 VanDerWaalsContact O-OG 3.06Å; S176-S179 PolarHBondContact O-N 2.56Å; S176-S179 PolarHBondContact O-OG 3.11Å; S176-S179 VanDerWaalsContact O-OG 3.11Å |
| 180 | R | 42.2 | Very low | 58.8 | Low | 184 Ų | 184 | 118 Ų | 118 | 69% | 0.694 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -105.6 | 87.9 | 174.1 | -73.3 | -173.2 | 178.5 | 158.9 | 1.6 | 110.6 | ||
| 181 | H | 40.7 | Very low | 56.9 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 77% | 0.773 | 61% | 0.611 | S | S | * | * | trans | 49.3 | 107.7 | 158.6 | -89 | -81.2 | 0 | 0 | 0 | 117.8 | D183 | H181-D183 PolarHBondContact O-N 3.36Š| ||
| 182 | D | 43.7 | Very low | 54.6 | Low | 122 Ų | 122 | 127.4 Ų | 127.4 | 65% | 0.652 | 64% | 0.644 | S | S | * | * | 14.1 | 47.2 | 117.2 | -71 | -21.1 | 0 | 0 | 0 | 119 | Y184 | D182-Y184 HydrophobicContact CB-CD2 3.83Å; D182-Y184 HydrophobicContact CB-CE2 3.8Å; D182-Y184 VanDerWaalsContact CG-CE2 3.47Å; D182-Y184 PolarHBondContact O-N 3.39Å; D182-Y184 WeakPolarHBondContact OD1-CE2 3.13Å | |||
| 183 | D | 41.7 | Very low | 52.4 | Low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -76.4 | 73.7 | 152.8 | -76.6 | -17.9 | 0 | 0 | 0 | 106.6 | H181 I185 | H181-D183 PolarHBondContact O-N 3.36Å; D183-I185 PolarHBondContact O-N 2.82Å | ||
| 184 | Y | 43.2 | Very low | 50.7 | Low | 196 Ų | 196 | 138 Ų | 138 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -56.8 | 96.7 | 162.5 | -77.8 | -87.7 | 0 | 0 | 0 | 107.2 | D182 E186 | D182-Y184 HydrophobicContact CB-CD2 3.83Å; D182-Y184 HydrophobicContact CB-CE2 3.8Å; D182-Y184 VanDerWaalsContact CG-CE2 3.47Å; D182-Y184 PolarHBondContact O-N 3.39Å; D182-Y184 WeakPolarHBondContact OD1-CE2 3.13Å; Y184-E186 VanDerWaalsContact C-N 3.27Å; Y184-E186 PolarHBondContact O-N 2.67Å | ||
| 185 | I | 45.2 | Very low | 48.9 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -66.8 | 98.9 | 161.2 | -60.5 | 176 | 0 | 0 | 0 | 104.8 | D183 L187 | D183-I185 PolarHBondContact O-N 2.82Å; I185-L187 VanDerWaalsContact C-N 3.33Å; I185-L187 PolarHBondContact O-N 3.44Å | ||
| 186 | E | 43.6 | Very low | 47.7 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | trans | -57.6 | 99.9 | 169.5 | -166.4 | 174.5 | -160 | 0 | 0 | 107.6 | Y184 K188 | Y184-E186 VanDerWaalsContact C-N 3.27Å; Y184-E186 PolarHBondContact O-N 2.67Å; E186-K188 PolarHBondContact O-N 3.04Å | ||
| 187 | L | 44.2 | Very low | 46.8 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -65.1 | 99.2 | 175.1 | -68.9 | 170.2 | 0 | 0 | 0 | 107.1 | I185 | I185-L187 VanDerWaalsContact C-N 3.33Å; I185-L187 PolarHBondContact O-N 3.44Å | ||
| 188 | K | 45.9 | Very low | 46.3 | Very low | 180 Ų | 180 | 157.2 Ų | 157.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -58.1 | 127.3 | 170.2 | -71.8 | -170.1 | 177 | -176.9 | 0 | 108.3 | E186 I190 | E186-K188 PolarHBondContact O-N 3.04Å; K188-I190 PolarHBondContact O-N 3.17Å | ||
| 189 | P | 45.3 | Very low | 46.2 | Very low | 121 Ų | 121 | 158.9 Ų | 158.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | -55 | 130.4 | 176.6 | -22.9 | 31.8 | 0 | 0 | 0 | 109.9 | E191 | P189-E191 PolarHBondContact O-N 3.27Å; P189-E191 VanDerWaalsContact O-N 3.14Å | ||
| 190 | I | 56.9 | Low | 46.4 | Very low | 164 Ų | 164 | 161.7 Ų | 161.7 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -63 | 113.7 | 172.6 | -61.2 | 166.6 | 0 | 0 | 0 | 106.6 | K188 | K188-I190 PolarHBondContact O-N 3.17Š| ||
| 191 | E | 53.9 | Low | 46.4 | Very low | 165 Ų | 165 | 159 Ų | 159 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128.9 | 172.7 | -75.1 | -177.9 | 179.3 | 0 | 0 | 109 | P189 | P189-E191 PolarHBondContact O-N 3.27Å; P189-E191 VanDerWaalsContact O-N 3.14Å |
| 192 | P | 46.2 | Very low | 47.1 | Very low | 109 Ų | 109 | 154.1 Ų | 154.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 148.2 | 179.3 | 23.6 | -30.7 | 0 | 0 | 0 | 110.4 | Q194 | P192-Q194 PolarHBondContact O-N 3.31Š|
| 193 | P | 47.3 | Very low | 47.7 | Very low | 126 Ų | 126 | 158.2 Ų | 158.2 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 129.9 | -173.6 | -20.7 | 31.5 | 0 | 0 | 0 | 111.3 | E195 | P193-E195 PolarHBondContact O-N 2.75Å; P193-E195 VanDerWaalsContact O-N 3.11Å |
| 194 | Q | 52.3 | Low | 48 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -63.5 | 113.4 | 172.5 | -70 | -178 | -3.4 | 0 | 0 | 109.1 | P192 N196 | P192-Q194 PolarHBondContact O-N 3.31Å; Q194-N196 PolarHBondContact O-N 3.19Å; Q194-N196 VanDerWaalsContact O-N 3.13Å | ||
| 195 | E | 47.8 | Very low | 48.3 | Very low | 186 Ų | 186 | 156.8 Ų | 156.8 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | trans | -65.3 | 109.8 | 177.6 | -161.9 | 169.2 | -155.4 | 0 | 0 | 108.8 | P193 Q197 | P193-E195 PolarHBondContact O-N 2.75Å; P193-E195 VanDerWaalsContact O-N 3.11Å; E195-Q197 PolarHBondContact O-N 3.21Å | ||
| 196 | N | 46.2 | Very low | 48.5 | Very low | 133 Ų | 133 | 157.6 Ų | 157.6 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | -59.7 | 102.1 | 176.8 | -85.2 | -35.7 | 0 | 0 | 0 | 109.3 | Q194 W198 | Q194-N196 PolarHBondContact O-N 3.19Å; Q194-N196 VanDerWaalsContact O-N 3.13Å; N196-W198 VanDerWaalsContact C-N 3.3Å; N196-W198 PolarHBondContact O-N 2.71Å | ||
| 197 | Q | 43.8 | Very low | 48.7 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | -66.4 | 90.6 | 168.9 | -69.4 | -178.8 | 12.8 | 0 | 0 | 108.9 | E195 K199 | E195-Q197 PolarHBondContact O-N 3.21Å; Q197-K199 PolarHBondContact O-N 2.87Å | ||
| 198 | W | 46.2 | Very low | 49 | Very low | 225 Ų | 225 | 156.8 Ų | 156.8 | 85% | 0.852 | 84% | 0.842 | S | S | * | * | trans | -65.6 | 102.3 | 166.2 | -64.6 | -20.2 | 0 | 0 | 0 | 108.4 | N196 T200 | N196-W198 VanDerWaalsContact C-N 3.3Å; N196-W198 PolarHBondContact O-N 2.71Å; W198-T200 PolarHBondContact O-N 3.09Å; W198-T200 VanDerWaalsContact O-N 3.12Å | ||
| 199 | K | 47.2 | Very low | 49.2 | Very low | 207 Ų | 207 | 155.3 Ų | 155.3 | 90% | 0.9 | 85% | 0.846 | S | S | * | * | trans | -54.7 | 114.9 | 167.9 | -70 | -176.2 | 176.8 | -179 | 0 | 108.2 | Q197 | Q197-K199 PolarHBondContact O-N 2.87Š| ||
| 200 | T | 50 | Low | 49.5 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 135.9 | 177.1 | 44.5 | 0 | 0 | 0 | 0 | 110.1 | W198 G202 | W198-T200 PolarHBondContact O-N 3.09Å; W198-T200 VanDerWaalsContact O-N 3.12Å; T200-G202 PolarHBondContact O-N 2.89Å |
| 201 | C | 44 | Very low | 49 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 87% | 0.865 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 120.5 | 178.5 | -162.8 | 0 | 0 | 0 | 0 | 110.1 | ||
| 202 | G | 54.9 | Low | 48.5 | Very low | 64 Ų | 64 | 156.6 Ų | 156.6 | 66% | 0.66 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 139.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | T200 | T200-G202 PolarHBondContact O-N 2.89Š|
| 203 | C | 56.5 | Low | 48.8 | Very low | 208 Ų | 208 | 160.9 Ų | 160.9 | 100% | 1.405 | 87% | 0.871 | S | S | * | * | trans | -48.6 | 0 | -178.6 | -52.2 | 0 | 0 | 0 | 0 | 115.6 |
Retrieved 203 of 203 residues in 66.5 ms
(Link to these results)