| 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 | 43.2 | Very low | 74.2 | Confident | 167 Ų | 167 | 70.5 Ų | 70.5 | 82% | 0.823 | 45% | 0.448 | S | S | * | . | 0 | 24.5 | 0 | -70.3 | -172.9 | -179.7 | 0 | 0 | 112.9 | D3 | M1-D3 WeakPolarHBondContact CA-OD2 3.47Å; M1-D3 PolarHBondContact N-OD2 2.95Å; M1-D3 PolarHBondContact O-N 3.25Å | |||
| 2 | A | 39.4 | Very low | 75.9 | Confident | 95 Ų | 95 | 64.6 Ų | 64.6 | 79% | 0.785 | 41% | 0.411 | S | S | * | . | trans | -84.6 | 17.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | D | 58.7 | Low | 77.3 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -11.2 | -148.1 | -50.6 | -42.8 | 0 | 0 | 0 | 113.4 | M1 | M1-D3 WeakPolarHBondContact CA-OD2 3.47Å; M1-D3 PolarHBondContact N-OD2 2.95Å; M1-D3 PolarHBondContact O-N 3.25Å |
| 4 | F | 71.6 | Confident | 78.5 | Confident | 38 Ų | 38 | 55.5 Ų | 55.5 | 17% | 0.167 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.2 | 178.4 | -56.9 | -66 | 0 | 0 | 0 | 113.3 | I6 L64 L67 F94 | F4-I6 HydrophobicContact CB-CD1 3.85Å; F4-I6 HydrophobicContact CB-CG1 3.89Å; F4-I6 PolarHBondContact O-N 2.94Å; F4-L64 HydrophobicContact CB-CD2 4.49Å; F4-L64 HydrophobicContact CD1-CD2 3.94Å; F4-L64 HydrophobicContact CE1-CD2 4.33Å; F4-L64 HydrophobicContact CG-CD2 4.15Å; F4-L67 HydrophobicContact CE1-CD1 3.75Å; F4-L67 HydrophobicContact CE1-CD2 4.37Å; F4-L67 HydrophobicContact CZ-CD1 4.08Å; F4-L67 HydrophobicContact CZ-CD2 4.32Å; F4-F94 HydrophobicContact CB-CD2 4.32Å; F4-F94 HydrophobicContact CB-CE2 4.01Å; F4-F94 HydrophobicContact CB-CZ 4.31Å; F4-F94 HydrophobicContact CD1-CB 4Å; F4-F94 AromaticContact CD1-CD1 3.73Å; F4-F94 HydrophobicContact CD1-CD1 3.73Å; F4-F94 AromaticContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CE1 4.06Å; F4-F94 HydrophobicContact CD1-CE2 4.12Å; F4-F94 AromaticContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CZ 4.25Å; F4-F94 HydrophobicContact CE1-CB 4.08Å; F4-F94 HydrophobicContact CE1-CD1 4.2Å; F4-F94 HydrophobicContact CE1-CG 4.09Å; F4-F94 WeakPolarHBondContact O-CE2 3.01Å |
| 5 | G | 78.1 | Confident | 79.6 | Confident | 58 Ų | 58 | 51.9 Ų | 51.9 | 60% | 0.598 | 33% | 0.33 | S | S | * | . | trans | 64.5 | 25.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 6 | I | 83.9 | Confident | 80.4 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | trans | -74 | 128.9 | -178.4 | -59.4 | 165.2 | 0 | 0 | 0 | 109.5 | F4 Q10 V12 L32 L35 I62 | F4-I6 HydrophobicContact CB-CD1 3.85Å; F4-I6 HydrophobicContact CB-CG1 3.89Å; F4-I6 PolarHBondContact O-N 2.94Å; I6-Q10 VanDerWaalsContact CA-OE1 3.31Å; I6-V12 HydrophobicContact CG2-CG2 4.23Å; I6-L32 HydrophobicContact CD1-CD2 3.31Å; I6-L35 HydrophobicContact CG2-CB 4.18Å; I6-I62 HydrophobicContact CB-CD1 4.3Å; I6-I62 HydrophobicContact CG1-CD1 3.61Å | ||
| 7 | S | 84.8 | Confident | 80.9 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 41% | 0.413 | 31% | 0.311 | S | S | . | . | trans | -118.1 | 163.7 | 175.6 | 70.9 | 0 | 0 | 0 | 0 | 111.6 | Q10 | S7-Q10 PolarHBondContact O-N 3.43Å; S7-Q10 WeakPolarHBondContact OG-CG 3.12Å; S7-Q10 PolarHBondContact OG-NE2 3.31Å; S7-Q10 VanDerWaalsContact OG-NE2 3.09Å | ||
| 8 | A | 85.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 142.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T36 | A8-T36 CarbonylContact C-O 3.59Å; A8-T36 VanDerWaalsContact CA-O 3.3Å; A8-T36 WeakPolarHBondContact CA-O 3.49Å |
| 9 | G | 86.1 | Confident | 81.1 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 4.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | T36 | G9-T36 PolarHBondContact N-O 3.1Š|
| 10 | Q | 91.6 | Very high | 81.3 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | trans | -81.1 | 157 | 179.2 | -72.7 | -178.3 | -22.8 | 0 | 0 | 113.4 | I6 S7 V12 T36 G40 H41 D61 I62 | I6-Q10 VanDerWaalsContact CA-OE1 3.31Å; S7-Q10 PolarHBondContact O-N 3.43Å; S7-Q10 WeakPolarHBondContact OG-CG 3.12Å; S7-Q10 PolarHBondContact OG-NE2 3.31Å; S7-Q10 VanDerWaalsContact OG-NE2 3.09Å; Q10-V12 HydrophobicContact CB-CG2 4.48Å; Q10-T36 HydrophobicContact CB-CG2 4.25Å; Q10-T36 WeakPolarHBondContact O-CG2 3.48Å; Q10-G40 VanDerWaalsContact O-CA 3.32Å; Q10-G40 WeakPolarHBondContact O-CA 3.34Å; Q10-H41 PolarHBondContact O-N 3.1Å; Q10-H41 VanDerWaalsContact O-N 3.11Å; Q10-D61 WeakPolarHBondContact CA-OD2 3.37Å; Q10-D61 HydrophobicContact CB-CB 4.22Å; Q10-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q10-D61 HydrophobicContact CG-CB 4.35Å; Q10-I62 VanDerWaalsContact OE1-CD1 3.25Å | ||
| 11 | F | 93.6 | Very high | 81.5 | Confident | 93 Ų | 93 | 50.5 Ų | 50.5 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.1 | 170.4 | -67.9 | -96.4 | 0 | 0 | 0 | 109.2 | H41 S59 F60 D61 I62 | F11-H41 HydrophobicContact CD1-CB 3.57Å; F11-H41 HydrophobicContact CE1-CB 3.74Å; F11-H41 HydrophobicContact CG-CB 4.5Å; F11-S59 WeakPolarHBondContact CB-O 3.29Å; F11-F60 HydrophobicContact CB-CD1 4.09Å; F11-D61 PolarHBondContact N-OD2 3.11Å; F11-D61 PolarHBondContact O-N 2.93Å; F11-I62 PolarHBondContact O-N 3.28Å |
| 12 | V | 94.5 | Very high | 83.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.3 | -177.3 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | I6 Q10 L32 T36 H41 V42 S43 I62 L64 | I6-V12 HydrophobicContact CG2-CG2 4.23Å; Q10-V12 HydrophobicContact CB-CG2 4.48Å; V12-L32 HydrophobicContact CG1-CD1 4.46Å; V12-T36 HydrophobicContact CG2-CG2 4.49Å; V12-H41 PolarHBondContact N-O 3.23Å; V12-V42 CarbonylContact O-C 3.5Å; V12-V42 WeakPolarHBondContact O-CA 3.47Å; V12-S43 PolarHBondContact O-N 3.11Å; V12-I62 VanDerWaalsContact CA-O 3.32Å; V12-I62 WeakPolarHBondContact CA-O 2.94Å; V12-I62 HydrophobicContact CG2-CB 4.42Å; V12-L64 HydrophobicContact CG1-CD1 4.28Å; V12-L64 HydrophobicContact CG1-CG 4.34Å |
| 13 | A | 94.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S43 F60 I62 I63 L64 | A13-S43 CarbonylContact C-O 3.59Å; A13-S43 WeakPolarHBondContact CA-O 3.14Å; A13-F60 HydrophobicContact CB-CD1 3.77Å; A13-F60 HydrophobicContact CB-CD2 4.1Å; A13-F60 HydrophobicContact CB-CE1 3.86Å; A13-F60 HydrophobicContact CB-CE2 4.18Å; A13-F60 HydrophobicContact CB-CG 3.89Å; A13-F60 HydrophobicContact CB-CZ 4.06Å; A13-I62 PolarHBondContact N-O 3.13Å; A13-I63 HydrophobicContact CB-CG1 4.15Å; A13-I63 HydrophobicContact CB-CG2 4.47Å; A13-I63 WeakPolarHBondContact O-CA 3.46Å; A13-L64 PolarHBondContact O-N 3.17Å |
| 14 | V | 94.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 113.8 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | L25 L28 L32 V42 S43 V44 E45 L64 V68 | V14-L25 HydrophobicContact CG1-CD1 4.04Å; V14-L28 HydrophobicContact CG1-CD2 4.14Å; V14-L32 HydrophobicContact CG2-CD1 3.32Å; V14-V42 HydrophobicContact CG2-CG1 4.25Å; V14-S43 PolarHBondContact N-O 3.37Å; V14-V44 WeakPolarHBondContact O-CA 3.42Å; V14-E45 PolarHBondContact O-N 3.47Å; V14-L64 CarbonylContact C-O 3.59Å; V14-L64 WeakPolarHBondContact CA-O 3.32Å; V14-V68 HydrophobicContact CG1-CG2 4.18Å |
| 15 | V | 93.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 118.1 | 176.8 | -177.7 | 0 | 0 | 0 | 0 | 109 | E45 I47 L50 I63 L64 S65 G66 | V15-E45 VanDerWaalsContact CA-O 3.3Å; V15-E45 WeakPolarHBondContact CA-O 3.37Å; V15-I47 HydrophobicContact CG1-CB 3.93Å; V15-I47 HydrophobicContact CG1-CG1 4.3Å; V15-L50 HydrophobicContact CG2-CD1 4.43Å; V15-L50 HydrophobicContact CG2-CD2 4.41Å; V15-I63 HydrophobicContact CG2-CG2 4.12Å; V15-L64 PolarHBondContact N-O 2.78Å; V15-S65 WeakPolarHBondContact CB-OG 3.45Å; V15-G66 PolarHBondContact O-N 3.01Å |
| 16 | W | 92.8 | Very high | 89.1 | Confident | 68 Ų | 68 | 47.4 Ų | 47.4 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 165 | -178.1 | 67 | -80 | 0 | 0 | 0 | 111.3 | L25 V44 E45 N46 I47 V68 | W16-L25 HydrophobicContact CB-CD1 4.21Å; W16-L25 HydrophobicContact CB-CD2 4.41Å; W16-L25 HydrophobicContact CD2-CD2 3.84Å; W16-L25 HydrophobicContact CE3-CD2 4.35Å; W16-L25 HydrophobicContact CG-CD1 4.27Å; W16-L25 HydrophobicContact CG-CD2 3.81Å; W16-V44 VanDerWaalsContact CD1-CG1 3.43Å; W16-E45 PolarHBondContact N-O 3.05Å; W16-E45 PolarHBondContact NE1-O 3.3Å; W16-N46 WeakPolarHBondContact CH2-ND2 3.36Å; W16-N46 HydrophobicContact CZ2-CB 4.08Å; W16-N46 WeakPolarHBondContact O-CA 3.47Å; W16-I47 PolarHBondContact O-N 3.13Å; W16-V68 HydrophobicContact CB-CG2 4.29Å |
| 17 | D | 88.4 | Confident | 89.5 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | trans | -129.7 | 168.6 | 178 | -173.2 | 28.5 | 0 | 0 | 0 | 110.8 | S19 S20 I47 N48 T73 | D17-S19 PolarHBondContact O-N 3.11Å; D17-S20 PolarHBondContact N-OG 3.48Å; D17-S20 VanDerWaalsContact O-CB 3.26Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.9Å; D17-S20 PolarHBondContact O-OG 3.28Å; D17-S20 VanDerWaalsContact O-OG 3.08Å; D17-I47 HydrophobicContact CB-CG2 3.76Å; D17-I47 WeakPolarHBondContact OD1-CG2 3.42Å; D17-N48 PolarHBondContact OD1-ND2 2.97Å; D17-T73 HydrophobicContact CB-CG2 4.05Å; D17-T73 WeakPolarHBondContact CB-OG1 3.37Å | ||
| 18 | K | 84.4 | Confident | 89.8 | Confident | 127 Ų | 127 | 45.8 Ų | 45.8 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -21.3 | 179.6 | 64.4 | -177.3 | 173.6 | 174.9 | 0 | 114.9 | S20 Y146 | K18-S20 VanDerWaalsContact C-N 3.29Å; K18-Y146 HydrophobicContact CD-CD1 3.9Å; K18-Y146 HydrophobicContact CD-CE1 4.1Å; K18-Y146 VanDerWaalsContact CE-CD1 3.48Å; K18-Y146 HydrophobicContact CG-CD1 4.06Å; K18-Y146 HydrophobicContact CG-CE1 4.12Å |
| 19 | S | 82.6 | Confident | 90.1 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.4 | 176.2 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | D17 T72 | D17-S19 PolarHBondContact O-N 3.11Å; S19-T72 WeakPolarHBondContact CB-OG1 3.32Å; S19-T72 PolarHBondContact OG-N 3.04Å; S19-T72 PolarHBondContact OG-OG1 3.27Å |
| 20 | S | 83.4 | Confident | 90.4 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.063 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -77.8 | 124.9 | -178.2 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | D17 K18 S71 | D17-S20 PolarHBondContact N-OG 3.48Å; D17-S20 VanDerWaalsContact O-CB 3.26Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.9Å; D17-S20 PolarHBondContact O-OG 3.28Å; D17-S20 VanDerWaalsContact O-OG 3.08Å; K18-S20 VanDerWaalsContact C-N 3.29Å; S20-S71 WeakPolarHBondContact CB-OG 3.41Å; S20-S71 WeakPolarHBondContact OG-CB 3.42Å; S20-S71 PolarHBondContact OG-OG 2.91Å |
| 21 | P | 86.2 | Confident | 90.3 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | trans | -66.5 | 134.7 | 172.3 | 20.9 | -25.2 | 0 | 0 | 0 | 111.5 | E23 A24 L25 P69 | P21-E23 VanDerWaalsContact C-N 3.3Å; P21-E23 PolarHBondContact O-N 2.89Å; P21-A24 HydrophobicContact CB-CB 4.4Å; P21-A24 HydrophobicContact CG-CB 3.79Å; P21-A24 PolarHBondContact O-N 3.14Å; P21-L25 PolarHBondContact O-N 2.71Å; P21-P69 VanDerWaalsContact CD-O 3.24Å; P21-P69 WeakPolarHBondContact CD-O 3.18Å; P21-P69 WeakPolarHBondContact CG-O 3.45Å | ||
| 22 | V | 88.6 | Confident | 90.1 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -35.7 | -172.5 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | L25 K26 | V22-L25 PolarHBondContact O-N 3.06Å; V22-K26 HydrophobicContact CG1-CD 4.32Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 3.45Å |
| 23 | E | 90.7 | Very high | 90 | Very high | 145 Ų | 145 | 51.2 Ų | 51.2 | 68% | 0.678 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.2 | -40.6 | 177.7 | -64.2 | 69 | -149.9 | 0 | 0 | 111.2 | P21 G27 | P21-E23 VanDerWaalsContact C-N 3.3Å; P21-E23 PolarHBondContact O-N 2.89Å; E23-G27 PolarHBondContact O-N 2.94Å |
| 24 | A | 89.6 | Confident | 89.8 | Confident | 27 Ų | 27 | 57 Ų | 57 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.5 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P21 G27 L28 V68 P69 | P21-A24 HydrophobicContact CB-CB 4.4Å; P21-A24 HydrophobicContact CG-CB 3.79Å; P21-A24 PolarHBondContact O-N 3.14Å; A24-G27 PolarHBondContact O-N 2.83Å; A24-L28 WeakPolarHBondContact O-CB 3.29Å; A24-L28 PolarHBondContact O-N 2.78Å; A24-V68 HydrophobicContact CB-CG1 4.06Å; A24-P69 HydrophobicContact CB-CB 4.36Å; A24-P69 HydrophobicContact CB-CG 4.46Å |
| 25 | L | 90.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 174.4 | 177 | 60.9 | 0 | 0 | 0 | 111 | V14 W16 P21 V22 G27 L28 V29 V44 V68 | V14-L25 HydrophobicContact CG1-CD1 4.04Å; W16-L25 HydrophobicContact CB-CD1 4.21Å; W16-L25 HydrophobicContact CB-CD2 4.41Å; W16-L25 HydrophobicContact CD2-CD2 3.84Å; W16-L25 HydrophobicContact CE3-CD2 4.35Å; W16-L25 HydrophobicContact CG-CD1 4.27Å; W16-L25 HydrophobicContact CG-CD2 3.81Å; P21-L25 PolarHBondContact O-N 2.71Å; V22-L25 PolarHBondContact O-N 3.06Å; L25-G27 PolarHBondContact O-N 2.07Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.14Å; L25-V44 HydrophobicContact CD1-CG1 4.19Å; L25-V44 HydrophobicContact CD2-CG1 4.14Å; L25-V68 HydrophobicContact CB-CG1 4.16Å; L25-V68 HydrophobicContact CD1-CG2 3.76Å |
| 26 | K | 91.8 | Very high | 89.1 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.5 | -48.8 | 175.9 | -74 | 175.1 | -179.9 | 175.2 | 0 | 111.2 | V22 L28 V29 D30 | V22-K26 HydrophobicContact CG1-CD 4.32Å; V22-K26 WeakPolarHBondContact O-CG 3.18Å; V22-K26 PolarHBondContact O-N 3.45Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.02Å; K26-V29 PolarHBondContact O-N 3.18Å; K26-V29 VanDerWaalsContact O-N 3.16Å; K26-D30 WeakPolarHBondContact O-CB 3.19Å; K26-D30 PolarHBondContact O-N 2.88Å |
| 27 | G | 92 | Very high | 88.8 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.5 | -30.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | E23 A24 L25 K31 | E23-G27 PolarHBondContact O-N 2.94Å; A24-G27 PolarHBondContact O-N 2.83Å; L25-G27 PolarHBondContact O-N 2.07Å; G27-K31 VanDerWaalsContact O-CD 3.3Å; G27-K31 WeakPolarHBondContact O-CD 3.34Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 3.11Å |
| 28 | L | 90.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 67 Ų | 67 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -73 | -47.4 | 173.1 | -177.7 | 63.3 | 0 | 0 | 0 | 111.2 | V14 A24 L25 K26 D30 K31 L32 V68 | V14-L28 HydrophobicContact CG1-CD2 4.14Å; A24-L28 WeakPolarHBondContact O-CB 3.29Å; A24-L28 PolarHBondContact O-N 2.78Å; L25-L28 PolarHBondContact O-N 3.39Å; K26-L28 VanDerWaalsContact C-N 3.25Å; K26-L28 PolarHBondContact O-N 3.02Å; L28-D30 PolarHBondContact O-N 3.46Å; L28-K31 PolarHBondContact O-N 3.04Å; L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.79Å; L28-V68 HydrophobicContact CD2-CG2 3.83Å |
| 29 | V | 92.2 | Very high | 88.4 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | -179.6 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L25 K26 K31 L32 Q33 V42 V44 | L25-V29 HydrophobicContact CD1-CG2 4.12Å; L25-V29 VanDerWaalsContact O-CG2 3.31Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.14Å; K26-V29 PolarHBondContact O-N 3.18Å; K26-V29 VanDerWaalsContact O-N 3.16Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.23Å; V29-L32 PolarHBondContact O-N 3.05Å; V29-L32 VanDerWaalsContact O-N 3.13Å; V29-Q33 HydrophobicContact CG1-CG 4.33Å; V29-Q33 WeakPolarHBondContact O-CG 3.42Å; V29-Q33 PolarHBondContact O-N 3.44Å; V29-V42 HydrophobicContact CG1-CG1 4.19Å; V29-V44 HydrophobicContact CG1-CG2 4.3Å; V29-V44 HydrophobicContact CG2-CG2 3.55Å |
| 30 | D | 92.2 | Very high | 88.4 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 177.8 | -66.6 | -19.7 | 0 | 0 | 0 | 111.1 | K26 L28 Q33 V34 | K26-D30 WeakPolarHBondContact O-CB 3.19Å; K26-D30 PolarHBondContact O-N 2.88Å; L28-D30 PolarHBondContact O-N 3.46Å; D30-Q33 PolarHBondContact O-N 3.15Å; D30-V34 WeakPolarHBondContact O-CG2 3.27Å; D30-V34 PolarHBondContact O-N 3.37Å; D30-V34 VanDerWaalsContact O-N 3.11Å |
| 31 | K | 89.7 | Confident | 88.8 | Confident | 123 Ų | 123 | 73.9 Ų | 73.9 | 54% | 0.535 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.8 | -70.8 | 169.7 | -171.2 | 175.8 | 0 | 111.9 | G27 L28 V29 V34 L35 | G27-K31 VanDerWaalsContact O-CD 3.3Å; G27-K31 WeakPolarHBondContact O-CD 3.34Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 3.11Å; L28-K31 PolarHBondContact O-N 3.04Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 3.23Å; K31-V34 PolarHBondContact O-N 3.13Å; K31-L35 WeakPolarHBondContact O-CG 3.35Å; K31-L35 PolarHBondContact O-N 3.44Å |
| 32 | L | 90.2 | Very high | 89 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 178.5 | -67.5 | 169.7 | 0 | 0 | 0 | 111.3 | I6 V12 V14 L28 V29 V34 L35 T36 V42 L64 | I6-L32 HydrophobicContact CD1-CD2 3.31Å; V12-L32 HydrophobicContact CG1-CD1 4.46Å; V14-L32 HydrophobicContact CG2-CD1 3.32Å; L28-L32 HydrophobicContact CD1-CD1 4.4Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.01Å; L28-L32 HydrophobicContact CG-CG 4.49Å; L28-L32 VanDerWaalsContact O-CG 3.29Å; L28-L32 WeakPolarHBondContact O-CG 3.46Å; L28-L32 PolarHBondContact O-N 2.79Å; V29-L32 PolarHBondContact O-N 3.05Å; V29-L32 VanDerWaalsContact O-N 3.13Å; L32-V34 VanDerWaalsContact C-N 3.31Å; L32-V34 PolarHBondContact O-N 3.38Å; L32-L35 PolarHBondContact O-N 3.26Å; L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.37Å; L32-V42 HydrophobicContact CB-CG1 4.2Å; L32-V42 HydrophobicContact CB-CG2 3.96Å; L32-V42 HydrophobicContact CD1-CG1 4.33Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L32-L64 HydrophobicContact CD2-CD1 3.81Å; L32-L64 HydrophobicContact CG-CD1 4.47Å |
| 33 | Q | 90.6 | Very high | 89.2 | Confident | 101 Ų | 101 | 69.4 Ų | 69.4 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 175.3 | -73 | 176.3 | 2.4 | 0 | 0 | 111.5 | V29 D30 L35 T36 G37 V42 | V29-Q33 HydrophobicContact CG1-CG 4.33Å; V29-Q33 WeakPolarHBondContact O-CG 3.42Å; V29-Q33 PolarHBondContact O-N 3.44Å; D30-Q33 PolarHBondContact O-N 3.15Å; Q33-L35 PolarHBondContact O-N 3.13Å; Q33-T36 PolarHBondContact O-N 3.46Å; Q33-G37 PolarHBondContact O-N 3.23Å; Q33-V42 HydrophobicContact CG-CB 4.14Å; Q33-V42 HydrophobicContact CG-CG2 3.88Å |
| 34 | V | 90.6 | Very high | 89.3 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 75% | 0.745 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 174.4 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | D30 K31 L32 | D30-V34 WeakPolarHBondContact O-CG2 3.27Å; D30-V34 PolarHBondContact O-N 3.37Å; D30-V34 VanDerWaalsContact O-N 3.11Å; K31-V34 PolarHBondContact O-N 3.13Å; L32-V34 VanDerWaalsContact C-N 3.31Å; L32-V34 PolarHBondContact O-N 3.38Å |
| 35 | L | 87.3 | Confident | 89.5 | Confident | 87 Ų | 87 | 65.8 Ų | 65.8 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.6 | -37.4 | 179.5 | -70.4 | 174.8 | 0 | 0 | 0 | 113.1 | I6 K31 L32 Q33 | I6-L35 HydrophobicContact CG2-CB 4.18Å; K31-L35 WeakPolarHBondContact O-CG 3.35Å; K31-L35 PolarHBondContact O-N 3.44Å; L32-L35 PolarHBondContact O-N 3.26Å; Q33-L35 PolarHBondContact O-N 3.13Å |
| 36 | T | 87.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -83.9 | -21.8 | -174.2 | -38.4 | 0 | 0 | 0 | 0 | 111.8 | A8 G9 Q10 V12 L32 Q33 | A8-T36 CarbonylContact C-O 3.59Å; A8-T36 VanDerWaalsContact CA-O 3.3Å; A8-T36 WeakPolarHBondContact CA-O 3.49Å; G9-T36 PolarHBondContact N-O 3.1Å; Q10-T36 HydrophobicContact CB-CG2 4.25Å; Q10-T36 WeakPolarHBondContact O-CG2 3.48Å; V12-T36 HydrophobicContact CG2-CG2 4.49Å; L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.37Å; Q33-T36 PolarHBondContact O-N 3.46Å |
| 37 | G | 85.8 | Confident | 89.4 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 33% | 0.33 | 33% | 0.329 | S | S | . | . | trans | 69.1 | -170.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q33 E39 G40 | Q33-G37 PolarHBondContact O-N 3.23Å; G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.98Å; G37-G40 PolarHBondContact O-N 3.27Å | ||
| 38 | N | 80.9 | Confident | 89.2 | Confident | 175 Ų | 175 | 63.9 Ų | 63.9 | 94% | 0.936 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.9 | -172.1 | -61.7 | -17.7 | 0 | 0 | 0 | 114.4 | ||
| 39 | E | 83.1 | Confident | 89.1 | Confident | 172 Ų | 172 | 68 Ų | 68 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -13.3 | 180 | -63.5 | -167.4 | 161.8 | 0 | 0 | 112.9 | G37 | G37-E39 VanDerWaalsContact C-N 3.31Å; G37-E39 PolarHBondContact O-N 2.98Å |
| 40 | G | 83.7 | Confident | 88.9 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | trans | -94.8 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q10 G37 | Q10-G40 VanDerWaalsContact O-CA 3.32Å; Q10-G40 WeakPolarHBondContact O-CA 3.34Å; G37-G40 PolarHBondContact O-N 3.27Å | ||
| 41 | H | 90.5 | Very high | 88.6 | Confident | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 130.2 | -178.8 | -170.8 | -80.2 | 0 | 0 | 0 | 110.6 | Q10 F11 V12 S43 | Q10-H41 PolarHBondContact O-N 3.1Å; Q10-H41 VanDerWaalsContact O-N 3.11Å; F11-H41 HydrophobicContact CD1-CB 3.57Å; F11-H41 HydrophobicContact CE1-CB 3.74Å; F11-H41 HydrophobicContact CG-CB 4.5Å; V12-H41 PolarHBondContact N-O 3.23Å; H41-S43 PolarHBondContact CE1-OG 3.22Å; H41-S43 PolarHBondContact ND1-OG 3.13Å |
| 42 | V | 92.3 | Very high | 88.4 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.7 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | V12 V14 V29 L32 Q33 | V12-V42 CarbonylContact O-C 3.5Å; V12-V42 WeakPolarHBondContact O-CA 3.47Å; V14-V42 HydrophobicContact CG2-CG1 4.25Å; V29-V42 HydrophobicContact CG1-CG1 4.19Å; L32-V42 HydrophobicContact CB-CG1 4.2Å; L32-V42 HydrophobicContact CB-CG2 3.96Å; L32-V42 HydrophobicContact CD1-CG1 4.33Å; Q33-V42 HydrophobicContact CG-CB 4.14Å; Q33-V42 HydrophobicContact CG-CG2 3.88Å |
| 43 | S | 92 | Very high | 87.6 | Confident | 17 Ų | 17 | 69.4 Ų | 69.4 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.3 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | V12 A13 V14 H41 F60 | V12-S43 PolarHBondContact O-N 3.11Å; A13-S43 CarbonylContact C-O 3.59Å; A13-S43 WeakPolarHBondContact CA-O 3.14Å; V14-S43 PolarHBondContact N-O 3.37Å; H41-S43 PolarHBondContact CE1-OG 3.22Å; H41-S43 PolarHBondContact ND1-OG 3.13Å; S43-F60 WeakPolarHBondContact OG-CE1 3.13Å |
| 44 | V | 93.3 | Very high | 87.1 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 115.5 | -179.6 | -179 | 0 | 0 | 0 | 0 | 108.3 | V14 W16 L25 V29 | V14-V44 WeakPolarHBondContact O-CA 3.42Å; W16-V44 VanDerWaalsContact CD1-CG1 3.43Å; L25-V44 HydrophobicContact CD1-CG1 4.19Å; L25-V44 HydrophobicContact CD2-CG1 4.14Å; V29-V44 HydrophobicContact CG1-CG2 4.3Å; V29-V44 HydrophobicContact CG2-CG2 3.55Å |
| 45 | E | 92.1 | Very high | 86.9 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141.1 | -172.6 | -66.9 | -60 | 150.2 | 0 | 0 | 111 | V14 V15 W16 L50 H55 | V14-E45 PolarHBondContact O-N 3.47Å; V15-E45 VanDerWaalsContact CA-O 3.3Å; V15-E45 WeakPolarHBondContact CA-O 3.37Å; W16-E45 PolarHBondContact N-O 3.05Å; W16-E45 PolarHBondContact NE1-O 3.3Å; E45-L50 HydrophobicContact CB-CD1 4.06Å; E45-L50 HydrophobicContact CG-CD1 4.31Å; E45-H55 WeakPolarHBondContact CG-NE2 3.47Å; E45-H55 IonicContact OE1-CE1 2.62Å; E45-H55 PolarHBondContact OE1-CE1 3.24Å; E45-H55 IonicContact OE1-NE2 3.8Å; E45-H55 PolarHBondContact OE1-NE2 3.48Å; E45-H55 IonicContact OE2-NE2 3.23Å |
| 46 | N | 91.6 | Very high | 87.1 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.5 | 172.6 | -173.4 | -82 | 0 | 0 | 0 | 109.7 | W16 N48 Q49 L50 | W16-N46 WeakPolarHBondContact CH2-ND2 3.36Å; W16-N46 HydrophobicContact CZ2-CB 4.08Å; W16-N46 WeakPolarHBondContact O-CA 3.47Å; N46-N48 PolarHBondContact O-N 3.47Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 WeakPolarHBondContact OD1-CB 3.13Å; N46-N48 PolarHBondContact OD1-N 3.12Å; N46-N48 PolarHBondContact OD1-ND2 3.22Å; N46-N48 VanDerWaalsContact OD1-ND2 3.13Å; N46-Q49 HydrophobicContact CB-CB 4.33Å; N46-Q49 HydrophobicContact CB-CG 4.46Å; N46-Q49 CarbonylContact O-C 3.51Å; N46-Q49 PolarHBondContact O-N 3.23Å; N46-L50 PolarHBondContact O-N 3.09Å |
| 47 | I | 90.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.046 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -37 | -178.1 | -167.8 | 166.5 | 0 | 0 | 0 | 113.2 | V15 W16 D17 Q49 L50 T73 I79 | V15-I47 HydrophobicContact CG1-CB 3.93Å; V15-I47 HydrophobicContact CG1-CG1 4.3Å; W16-I47 PolarHBondContact O-N 3.13Å; D17-I47 HydrophobicContact CB-CG2 3.76Å; D17-I47 WeakPolarHBondContact OD1-CG2 3.42Å; I47-Q49 VanDerWaalsContact C-N 3.27Å; I47-Q49 PolarHBondContact O-N 3.24Å; I47-L50 PolarHBondContact O-N 3.32Å; I47-T73 HydrophobicContact CD1-CG2 3.27Å; I47-T73 HydrophobicContact CG1-CG2 4.48Å; I47-T73 HydrophobicContact CG2-CG2 4.47Å; I47-I79 HydrophobicContact CD1-CG1 4.47Å; I47-I79 HydrophobicContact CD1-CG2 4.05Å; I47-I79 HydrophobicContact CG1-CD1 4.01Å; I47-I79 HydrophobicContact CG1-CG1 4.08Å; I47-I79 HydrophobicContact CG1-CG2 3.96Å; I47-I79 VanDerWaalsContact O-CD1 3.24Å; I47-I79 WeakPolarHBondContact O-CD1 3.31Å |
| 48 | N | 87.3 | Confident | 87.6 | Confident | 106 Ų | 106 | 73.9 Ų | 73.9 | 57% | 0.567 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -18.5 | -178.9 | -56.3 | -71.9 | 0 | 0 | 0 | 112.7 | D17 N46 | D17-N48 PolarHBondContact OD1-ND2 2.97Å; N46-N48 PolarHBondContact O-N 3.47Å; N46-N48 VanDerWaalsContact O-N 3.15Å; N46-N48 WeakPolarHBondContact OD1-CB 3.13Å; N46-N48 PolarHBondContact OD1-N 3.12Å; N46-N48 PolarHBondContact OD1-ND2 3.22Å; N46-N48 VanDerWaalsContact OD1-ND2 3.13Å |
| 49 | Q | 88.4 | Confident | 88.1 | Confident | 113 Ų | 113 | 67.1 Ų | 67.1 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.8 | 178.7 | -67.7 | -174.1 | 76.7 | 0 | 0 | 112.7 | N46 I47 L51 Q52 S53 | N46-Q49 HydrophobicContact CB-CB 4.33Å; N46-Q49 HydrophobicContact CB-CG 4.46Å; N46-Q49 CarbonylContact O-C 3.51Å; N46-Q49 PolarHBondContact O-N 3.23Å; I47-Q49 VanDerWaalsContact C-N 3.27Å; I47-Q49 PolarHBondContact O-N 3.24Å; Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; Q49-Q52 CarbonylContact O-C 3.54Å; Q49-Q52 WeakPolarHBondContact O-CA 3.43Å; Q49-Q52 PolarHBondContact O-N 3.17Å; Q49-S53 PolarHBondContact O-N 3.4Å |
| 50 | L | 87.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34.8 | -175 | -169.1 | 68.9 | 0 | 0 | 0 | 113.2 | V15 E45 N46 I47 Q52 S53 I79 E82 I83 I86 | V15-L50 HydrophobicContact CG2-CD1 4.43Å; V15-L50 HydrophobicContact CG2-CD2 4.41Å; E45-L50 HydrophobicContact CB-CD1 4.06Å; E45-L50 HydrophobicContact CG-CD1 4.31Å; N46-L50 PolarHBondContact O-N 3.09Å; I47-L50 PolarHBondContact O-N 3.32Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.21Å; L50-S53 WeakPolarHBondContact CA-OG 3.01Å; L50-S53 PolarHBondContact O-OG 3.32Å; L50-I79 HydrophobicContact CB-CD1 4.33Å; L50-I79 HydrophobicContact CD2-CG2 4.16Å; L50-E82 HydrophobicContact CD2-CG 4.26Å; L50-E82 HydrophobicContact CG-CG 3.96Å; L50-I83 HydrophobicContact CD2-CD1 4.39Å; L50-I83 HydrophobicContact CD2-CG1 3.75Å; L50-I86 HydrophobicContact CD1-CD1 4.04Å |
| 51 | L | 85.8 | Confident | 89.2 | Confident | 87 Ų | 87 | 58.9 Ų | 58.9 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.1 | 176.6 | -64.4 | 171.3 | 0 | 0 | 0 | 113 | Q49 E78 I79 E82 | Q49-L51 VanDerWaalsContact C-N 3.25Å; Q49-L51 PolarHBondContact O-N 3.02Å; L51-E78 HydrophobicContact CD1-CB 4.25Å; L51-E78 HydrophobicContact CD2-CB 4.24Å; L51-I79 HydrophobicContact CD1-CD1 4.18Å; L51-I79 HydrophobicContact CD2-CD1 4.43Å; L51-I79 HydrophobicContact CG-CD1 3.94Å; L51-E82 HydrophobicContact CD2-CB 3.86Å; L51-E82 HydrophobicContact CD2-CG 4.16Å |
| 52 | Q | 85.9 | Confident | 89.4 | Confident | 156 Ų | 156 | 54.6 Ų | 54.6 | 73% | 0.729 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -20.5 | 179.9 | -60.6 | 177.9 | 19.5 | 0 | 0 | 111.8 | Q49 L50 A54 | Q49-Q52 CarbonylContact O-C 3.54Å; Q49-Q52 WeakPolarHBondContact O-CA 3.43Å; Q49-Q52 PolarHBondContact O-N 3.17Å; L50-Q52 VanDerWaalsContact C-N 3.26Å; L50-Q52 PolarHBondContact O-N 3.21Å; Q52-A54 PolarHBondContact O-N 3.29Å; Q52-A54 VanDerWaalsContact O-N 3.08Å |
| 53 | S | 74.6 | Confident | 89.5 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -71.4 | 106.7 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 107.8 | Q49 L50 H55 | Q49-S53 PolarHBondContact O-N 3.4Å; L50-S53 WeakPolarHBondContact CA-OG 3.01Å; L50-S53 PolarHBondContact O-OG 3.32Å; S53-H55 WeakPolarHBondContact CB-NE2 3.3Å; S53-H55 PolarHBondContact O-N 3.07Å; S53-H55 PolarHBondContact OG-CD2 3.1Å; S53-H55 PolarHBondContact OG-NE2 3.5Å |
| 54 | A | 78.9 | Confident | 89.7 | Confident | 105 Ų | 105 | 52.8 Ų | 52.8 | 87% | 0.868 | 28% | 0.282 | S | S | * | . | trans | -71.6 | 54.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q52 | Q52-A54 PolarHBondContact O-N 3.29Å; Q52-A54 VanDerWaalsContact O-N 3.08Å | ||
| 55 | H | 87.7 | Confident | 89.8 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 17% | 0.167 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 142.5 | 176.1 | -69.1 | -59.5 | 0 | 0 | 0 | 110.2 | E45 S53 F60 R85 I86 | E45-H55 WeakPolarHBondContact CG-NE2 3.47Å; E45-H55 IonicContact OE1-CE1 2.62Å; E45-H55 PolarHBondContact OE1-CE1 3.24Å; E45-H55 IonicContact OE1-NE2 3.8Å; E45-H55 PolarHBondContact OE1-NE2 3.48Å; E45-H55 IonicContact OE2-NE2 3.23Å; S53-H55 WeakPolarHBondContact CB-NE2 3.3Å; S53-H55 PolarHBondContact O-N 3.07Å; S53-H55 PolarHBondContact OG-CD2 3.1Å; S53-H55 PolarHBondContact OG-NE2 3.5Å; H55-F60 AromaticContact ND1-CE2 4Å; H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 VanDerWaalsContact O-NH1 3.07Å; H55-R85 PolarHBondContact O-NH2 2.83Å; H55-I86 HydrophobicContact CB-CB 4.43Å; H55-I86 HydrophobicContact CB-CG2 3.68Å |
| 56 | K | 90.3 | Very high | 89.8 | Confident | 173 Ų | 173 | 48.2 Ų | 48.2 | 75% | 0.752 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -63 | 142 | 171.9 | -169.3 | -179.3 | 177.1 | -174.4 | 0 | 109.1 | S59 | K56-S59 WeakPolarHBondContact O-CB 3.42Å; K56-S59 PolarHBondContact O-OG 3.02Å |
| 57 | E | 90.7 | Very high | 89.7 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 143.7 | 172.1 | -173.1 | 173.9 | -169.4 | 0 | 0 | 110.4 | S59 R85 | E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; E57-R85 HydrophobicContact CG-CG 4.13Å; E57-R85 WeakPolarHBondContact CG-O 3.5Å |
| 58 | S | 92.6 | Very high | 89.8 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 21% | 0.21 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 40.2 | 174.9 | -65.8 | 0 | 0 | 0 | 0 | 114.2 | R85 I86 L87 K163 E167 | S58-R85 PolarHBondContact N-O 3.14Å; S58-R85 VanDerWaalsContact N-O 3.08Å; S58-I86 CarbonylContact C-O 3.53Å; S58-L87 WeakPolarHBondContact CA-O 3.48Å; S58-L87 PolarHBondContact OG-O 3.35Å; S58-K163 PolarHBondContact OG-NZ 2.71Å; S58-E167 PolarHBondContact OG-OE1 2.81Å |
| 59 | S | 92.2 | Very high | 89.8 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 23% | 0.231 | 25% | 0.253 | C | S | . | . | trans | -93.6 | -21.2 | -178.2 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | F11 K56 E57 I86 | F11-S59 WeakPolarHBondContact CB-O 3.29Å; K56-S59 WeakPolarHBondContact O-CB 3.42Å; K56-S59 PolarHBondContact O-OG 3.02Å; E57-S59 VanDerWaalsContact C-N 3.3Å; E57-S59 PolarHBondContact O-N 2.96Å; S59-I86 PolarHBondContact N-O 2.75Å | ||
| 60 | F | 94.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.3 | -174 | -64.1 | -71.7 | 0 | 0 | 0 | 112.6 | F11 A13 S43 H55 I63 I86 L87 R88 | F11-F60 HydrophobicContact CB-CD1 4.09Å; A13-F60 HydrophobicContact CB-CD1 3.77Å; A13-F60 HydrophobicContact CB-CD2 4.1Å; A13-F60 HydrophobicContact CB-CE1 3.86Å; A13-F60 HydrophobicContact CB-CE2 4.18Å; A13-F60 HydrophobicContact CB-CG 3.89Å; A13-F60 HydrophobicContact CB-CZ 4.06Å; S43-F60 WeakPolarHBondContact OG-CE1 3.13Å; H55-F60 AromaticContact ND1-CE2 4Å; F60-I63 HydrophobicContact CB-CD1 4.15Å; F60-I63 HydrophobicContact CB-CG1 4Å; F60-I63 HydrophobicContact CD2-CD1 4.45Å; F60-I86 HydrophobicContact CD2-CB 4.08Å; F60-I86 HydrophobicContact CD2-CD1 4.06Å; F60-I86 HydrophobicContact CD2-CG1 4.1Å; F60-I86 HydrophobicContact CE2-CD1 4.24Å; F60-I86 PolarHBondContact N-O 2.96Å; F60-L87 CarbonylContact O-C 3.55Å; F60-R88 WeakPolarHBondContact O-CG 3.47Å; F60-R88 PolarHBondContact O-N 2.68Å |
| 61 | D | 94.2 | Very high | 89.6 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -41.1 | 178.5 | -55.8 | -27.3 | 0 | 0 | 0 | 111 | Q10 F11 R88 G91 C92 | Q10-D61 WeakPolarHBondContact CA-OD2 3.37Å; Q10-D61 HydrophobicContact CB-CB 4.22Å; Q10-D61 WeakPolarHBondContact CB-OD2 3.23Å; Q10-D61 HydrophobicContact CG-CB 4.35Å; F11-D61 PolarHBondContact N-OD2 3.11Å; F11-D61 PolarHBondContact O-N 2.93Å; D61-R88 WeakPolarHBondContact OD1-CD 3.32Å; D61-R88 IonicContact OD1-CZ 3.82Å; D61-R88 IonicContact OD1-NE 3.71Å; D61-R88 PolarHBondContact OD1-NE 3.18Å; D61-R88 IonicContact OD1-NH1 3.39Å; D61-R88 PolarHBondContact OD1-NH1 3.1Å; D61-R88 IonicContact OD1-NH2 2.86Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 2.97Å; D61-R88 PolarHBondContact OD2-NH1 2.72Å; D61-G91 CarbonylContact O-C 3.55Å; D61-G91 WeakPolarHBondContact O-CA 3.3Å; D61-C92 PolarHBondContact O-N 3.24Å |
| 62 | I | 94.6 | Very high | 89.7 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.1 | -178.2 | -61.5 | 176.2 | 0 | 0 | 0 | 109.1 | I6 Q10 F11 V12 A13 L64 C92 F94 | I6-I62 HydrophobicContact CB-CD1 4.3Å; I6-I62 HydrophobicContact CG1-CD1 3.61Å; Q10-I62 VanDerWaalsContact OE1-CD1 3.25Å; F11-I62 PolarHBondContact O-N 3.28Å; V12-I62 VanDerWaalsContact CA-O 3.32Å; V12-I62 WeakPolarHBondContact CA-O 2.94Å; V12-I62 HydrophobicContact CG2-CB 4.42Å; A13-I62 PolarHBondContact N-O 3.13Å; I62-L64 HydrophobicContact CG2-CD2 3.84Å; I62-L64 HydrophobicContact CG2-CG 4.31Å; I62-C92 VanDerWaalsContact CA-O 3.3Å; I62-C92 WeakPolarHBondContact CA-O 3.32Å; I62-F94 HydrophobicContact CG2-CD2 4.01Å; I62-F94 HydrophobicContact CG2-CE2 4.13Å |
| 63 | I | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.8 | 173.3 | -57.7 | -168.8 | 0 | 0 | 0 | 109.1 | A13 V15 F60 I83 I86 L87 C92 L93 F94 | A13-I63 HydrophobicContact CB-CG1 4.15Å; A13-I63 HydrophobicContact CB-CG2 4.47Å; A13-I63 WeakPolarHBondContact O-CA 3.46Å; V15-I63 HydrophobicContact CG2-CG2 4.12Å; F60-I63 HydrophobicContact CB-CD1 4.15Å; F60-I63 HydrophobicContact CB-CG1 4Å; F60-I63 HydrophobicContact CD2-CD1 4.45Å; I63-I83 HydrophobicContact CD1-CG2 4.17Å; I63-I83 HydrophobicContact CG2-CG2 4.26Å; I63-I86 HydrophobicContact CD1-CD1 3.73Å; I63-I86 HydrophobicContact CD1-CG1 3.53Å; I63-L87 HydrophobicContact CB-CD1 4.47Å; I63-L87 HydrophobicContact CD1-CD1 4.07Å; I63-L87 HydrophobicContact CD1-CD2 4.45Å; I63-L87 HydrophobicContact CD1-CG 3.63Å; I63-L87 HydrophobicContact CG1-CD1 4.25Å; I63-L87 HydrophobicContact CG1-CD2 4.14Å; I63-L87 HydrophobicContact CG1-CG 3.83Å; I63-C92 PolarHBondContact N-O 2.98Å; I63-L93 HydrophobicContact CB-CD1 3.99Å; I63-L93 HydrophobicContact CG2-CD1 3.95Å; I63-F94 PolarHBondContact O-N 2.88Å |
| 64 | L | 94.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 111.4 | 177.2 | -55.4 | -177.9 | 0 | 0 | 0 | 108 | F4 V12 A13 V14 V15 L32 I62 L67 F94 | F4-L64 HydrophobicContact CB-CD2 4.49Å; F4-L64 HydrophobicContact CD1-CD2 3.94Å; F4-L64 HydrophobicContact CE1-CD2 4.33Å; F4-L64 HydrophobicContact CG-CD2 4.15Å; V12-L64 HydrophobicContact CG1-CD1 4.28Å; V12-L64 HydrophobicContact CG1-CG 4.34Å; A13-L64 PolarHBondContact O-N 3.17Å; V14-L64 CarbonylContact C-O 3.59Å; V14-L64 WeakPolarHBondContact CA-O 3.32Å; V15-L64 PolarHBondContact N-O 2.78Å; L32-L64 HydrophobicContact CD1-CD1 3.82Å; L32-L64 HydrophobicContact CD2-CD1 3.81Å; L32-L64 HydrophobicContact CG-CD1 4.47Å; I62-L64 HydrophobicContact CG2-CD2 3.84Å; I62-L64 HydrophobicContact CG2-CG 4.31Å; L64-L67 HydrophobicContact CB-CD1 3.86Å; L64-L67 HydrophobicContact CD2-CD1 3.76Å; L64-L67 HydrophobicContact CG-CD1 4.32Å; L64-F94 WeakPolarHBondContact CA-O 3.38Å; L64-F94 HydrophobicContact CD2-CB 3.87Å; L64-F94 HydrophobicContact CD2-CD2 3.81Å; L64-F94 HydrophobicContact CD2-CG 4.22Å |
| 65 | S | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.3 | -176.6 | -157.4 | 0 | 0 | 0 | 0 | 111.3 | V15 L67 H75 F94 L95 K96 | V15-S65 WeakPolarHBondContact CB-OG 3.45Å; S65-L67 PolarHBondContact O-N 3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; S65-H75 PolarHBondContact OG-CD2 3.45Å; S65-H75 PolarHBondContact OG-NE2 3.07Å; S65-F94 PolarHBondContact N-O 2.81Å; S65-L95 WeakPolarHBondContact O-CA 3.29Å; S65-K96 PolarHBondContact O-N 2.91Å |
| 66 | G | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 68.5 | 7.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V15 K96 | V15-G66 PolarHBondContact O-N 3.01Å; G66-K96 VanDerWaalsContact O-CE 3.28Å; G66-K96 WeakPolarHBondContact O-CE 3.35Å |
| 67 | L | 90.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 22.6 Ų | 22.6 | 13% | 0.131 | 15% | 0.145 | C | C | . | . | trans | -85.2 | -5.6 | -176.7 | -78 | 167.1 | 0 | 0 | 0 | 114.4 | F4 L64 S65 F94 K96 Q158 | F4-L67 HydrophobicContact CE1-CD1 3.75Å; F4-L67 HydrophobicContact CE1-CD2 4.37Å; F4-L67 HydrophobicContact CZ-CD1 4.08Å; F4-L67 HydrophobicContact CZ-CD2 4.32Å; L64-L67 HydrophobicContact CB-CD1 3.86Å; L64-L67 HydrophobicContact CD2-CD1 3.76Å; L64-L67 HydrophobicContact CG-CD1 4.32Å; S65-L67 PolarHBondContact O-N 3Å; S65-L67 VanDerWaalsContact O-N 3.14Å; L67-F94 HydrophobicContact CD1-CB 3.64Å; L67-F94 WeakPolarHBondContact CD1-O 3.33Å; L67-K96 HydrophobicContact CD2-CB 3.77Å; L67-K96 HydrophobicContact CD2-CD 4.48Å; L67-K96 HydrophobicContact CG-CB 4.19Å; L67-Q158 HydrophobicContact CD2-CG 4.34Å | ||
| 68 | V | 90.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -66.7 | 127.1 | 175 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | V14 W16 A24 L25 L28 G70 S71 | V14-V68 HydrophobicContact CG1-CG2 4.18Å; W16-V68 HydrophobicContact CB-CG2 4.29Å; A24-V68 HydrophobicContact CB-CG1 4.06Å; L25-V68 HydrophobicContact CB-CG1 4.16Å; L25-V68 HydrophobicContact CD1-CG2 3.76Å; L28-V68 HydrophobicContact CD2-CG2 3.83Å; V68-G70 PolarHBondContact O-N 3.38Å; V68-S71 VanDerWaalsContact CB-OG 3.3Å; V68-S71 WeakPolarHBondContact CB-OG 3.09Å; V68-S71 WeakPolarHBondContact O-CB 3.49Å; V68-S71 PolarHBondContact O-N 3.39Å; V68-S71 PolarHBondContact O-OG 3.16Å |
| 69 | P | 87.6 | Confident | 91.9 | Very high | 74 Ų | 74 | 23.3 Ų | 23.3 | 48% | 0.481 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 132.9 | -179.6 | -27 | 34.5 | 0 | 0 | 0 | 112.2 | P21 A24 | P21-P69 VanDerWaalsContact CD-O 3.24Å; P21-P69 WeakPolarHBondContact CD-O 3.18Å; P21-P69 WeakPolarHBondContact CG-O 3.45Å; A24-P69 HydrophobicContact CB-CB 4.36Å; A24-P69 HydrophobicContact CB-CG 4.46Å |
| 70 | G | 84.4 | Confident | 92 | Very high | 20 Ų | 20 | 21.8 Ų | 21.8 | 21% | 0.206 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | -6.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V68 E139 | V68-G70 PolarHBondContact O-N 3.38Å; G70-E139 PolarHBondContact N-OE1 2.87Å |
| 71 | S | 87.7 | Confident | 91.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | trans | -78.4 | 138.3 | -177.6 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | S20 V68 F156 | S20-S71 WeakPolarHBondContact CB-OG 3.41Å; S20-S71 WeakPolarHBondContact OG-CB 3.42Å; S20-S71 PolarHBondContact OG-OG 2.91Å; V68-S71 VanDerWaalsContact CB-OG 3.3Å; V68-S71 WeakPolarHBondContact CB-OG 3.09Å; V68-S71 WeakPolarHBondContact O-CB 3.49Å; V68-S71 PolarHBondContact O-N 3.39Å; V68-S71 PolarHBondContact O-OG 3.16Å; S71-F156 WeakPolarHBondContact O-CE1 3.3Å; S71-F156 WeakPolarHBondContact O-CZ 3.29Å | ||
| 72 | T | 88.7 | Confident | 91.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -122.3 | 58.9 | 179.8 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | S19 E139 V143 F156 | S19-T72 WeakPolarHBondContact CB-OG1 3.32Å; S19-T72 PolarHBondContact OG-N 3.04Å; S19-T72 PolarHBondContact OG-OG1 3.27Å; T72-E139 HydrophobicContact CG2-CB 4.37Å; T72-V143 HydrophobicContact CG2-CG2 3.49Å; T72-V143 VanDerWaalsContact CG2-CG2 3.49Å; T72-F156 HydrophobicContact CG2-CZ 4Å | ||
| 73 | T | 89.9 | Confident | 91.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | trans | -87 | 133 | -172.3 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | D17 I47 P98 | D17-T73 HydrophobicContact CB-CG2 4.05Å; D17-T73 WeakPolarHBondContact CB-OG1 3.37Å; I47-T73 HydrophobicContact CD1-CG2 3.27Å; I47-T73 HydrophobicContact CG1-CG2 4.48Å; I47-T73 HydrophobicContact CG2-CG2 4.47Å; T73-P98 WeakPolarHBondContact O-CD 2.91Å | ||
| 74 | L | 91.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 24.4 Ų | 24.4 | 19% | 0.188 | 16% | 0.157 | C | C | . | . | trans | -104.4 | 138.2 | 168.7 | -61.8 | -176.1 | 0 | 0 | 0 | 110.3 | E97 P98 K108 L147 | L74-E97 HydrophobicContact CD2-CG 3.91Å; L74-P98 HydrophobicContact CD2-CG 4.09Å; L74-K108 HydrophobicContact CD1-CB 4.04Å; L74-L147 HydrophobicContact CD1-CD1 3.97Å; L74-L147 HydrophobicContact CD1-CD2 3.69Å; L74-L147 HydrophobicContact CD1-CG 4.32Å; L74-L147 HydrophobicContact CD2-CD1 3.95Å; L74-L147 HydrophobicContact CG-CD1 3.76Å; L74-L147 HydrophobicContact CG-CD2 3.71Å; L74-L147 HydrophobicContact CG-CG 4.37Å | ||
| 75 | H | 93.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -105.2 | 121.5 | -179.2 | -50.6 | 79.9 | 0 | 0 | 0 | 110.1 | S65 L80 L95 E97 K110 | S65-H75 PolarHBondContact OG-CD2 3.45Å; S65-H75 PolarHBondContact OG-NE2 3.07Å; H75-L80 HydrophobicContact CB-CD1 4.48Å; H75-L80 HydrophobicContact CB-CD2 3.79Å; H75-L80 HydrophobicContact CB-CG 3.98Å; H75-L95 HydrophobicContact CB-CD1 4.21Å; H75-E97 WeakPolarHBondContact CB-OE2 3.39Å; H75-E97 IonicContact CE1-OE2 3.45Å; H75-E97 IonicContact CG-OE2 3.63Å; H75-E97 PolarHBondContact N-OE2 3.27Å; H75-E97 IonicContact ND1-OE2 2.74Å; H75-E97 PolarHBondContact ND1-OE2 3.25Å; H75-K110 VanDerWaalsContact O-CE 3.27Å; H75-K110 WeakPolarHBondContact O-CE 3.48Å; H75-K110 PolarHBondContact O-NZ 3.05Å | ||
| 76 | S | 92.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 28.1 Ų | 28.1 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | trans | -79.5 | 165.3 | 170.7 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | E78 I79 L80 | S76-E78 PolarHBondContact O-N 3Å; S76-I79 PolarHBondContact O-N 3.14Å; S76-I79 WeakPolarHBondContact OG-CG1 3.09Å; S76-I79 PolarHBondContact OG-N 3.47Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 2.86Å | ||
| 77 | A | 92 | Very high | 91.8 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 63% | 0.628 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -59.7 | -36.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L80 A81 | A77-L80 PolarHBondContact O-N 3.2Å; A77-A81 WeakPolarHBondContact O-CB 3.36Å; A77-A81 PolarHBondContact O-N 3.08Å |
| 78 | E | 92.8 | Very high | 91.9 | Very high | 130 Ų | 130 | 31.9 Ų | 31.9 | 61% | 0.607 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.4 | -45.9 | 176.7 | -64.8 | 167.2 | -165.3 | 0 | 0 | 111.7 | L51 S76 A81 E82 | L51-E78 HydrophobicContact CD1-CB 4.25Å; L51-E78 HydrophobicContact CD2-CB 4.24Å; S76-E78 PolarHBondContact O-N 3Å; E78-A81 PolarHBondContact O-N 3.31Å; E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 2.97Å |
| 79 | I | 93.7 | Very high | 92 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.046 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.3 | -64.6 | -62.8 | 0 | 0 | 0 | 110.8 | I47 L50 L51 S76 A81 E82 I83 | I47-I79 HydrophobicContact CD1-CG1 4.47Å; I47-I79 HydrophobicContact CD1-CG2 4.05Å; I47-I79 HydrophobicContact CG1-CD1 4.01Å; I47-I79 HydrophobicContact CG1-CG1 4.08Å; I47-I79 HydrophobicContact CG1-CG2 3.96Å; I47-I79 VanDerWaalsContact O-CD1 3.24Å; I47-I79 WeakPolarHBondContact O-CD1 3.31Å; L50-I79 HydrophobicContact CB-CD1 4.33Å; L50-I79 HydrophobicContact CD2-CG2 4.16Å; L51-I79 HydrophobicContact CD1-CD1 4.18Å; L51-I79 HydrophobicContact CD2-CD1 4.43Å; L51-I79 HydrophobicContact CG-CD1 3.94Å; S76-I79 PolarHBondContact O-N 3.14Å; S76-I79 WeakPolarHBondContact OG-CG1 3.09Å; S76-I79 PolarHBondContact OG-N 3.47Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.39Å; I79-E82 PolarHBondContact O-N 3.39Å; I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.4Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.09Å |
| 80 | L | 94.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 177.9 | -66.2 | 176.1 | 0 | 0 | 0 | 112.1 | H75 S76 A77 A84 L95 A118 L119 | H75-L80 HydrophobicContact CB-CD1 4.48Å; H75-L80 HydrophobicContact CB-CD2 3.79Å; H75-L80 HydrophobicContact CB-CG 3.98Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 2.86Å; A77-L80 PolarHBondContact O-N 3.2Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; L80-L95 HydrophobicContact CD2-CD1 3.58Å; L80-A118 HydrophobicContact CD1-CB 3.81Å; L80-L119 HydrophobicContact CD1-CD1 4.25Å; L80-L119 HydrophobicContact CD2-CD1 4.36Å; L80-L119 HydrophobicContact CD2-CG 4.43Å |
| 81 | A | 92.9 | Very high | 92.6 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 41% | 0.405 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A77 E78 I79 A84 R85 | A77-A81 WeakPolarHBondContact O-CB 3.36Å; A77-A81 PolarHBondContact O-N 3.08Å; E78-A81 PolarHBondContact O-N 3.31Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.39Å; A81-A84 PolarHBondContact O-N 3.45Å; A81-R85 PolarHBondContact O-N 3.27Å |
| 82 | E | 93.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 176.9 | -177.7 | 55.2 | -154.1 | 0 | 0 | 111.8 | L50 L51 E78 I79 A84 R85 I86 | L50-E82 HydrophobicContact CD2-CG 4.26Å; L50-E82 HydrophobicContact CG-CG 3.96Å; L51-E82 HydrophobicContact CD2-CB 3.86Å; L51-E82 HydrophobicContact CD2-CG 4.16Å; E78-E82 WeakPolarHBondContact O-CB 3.44Å; E78-E82 PolarHBondContact O-N 2.97Å; I79-E82 PolarHBondContact O-N 3.39Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.46Å; E82-R85 VanDerWaalsContact CD-NE 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.18Å; E82-R85 PolarHBondContact O-N 3.41Å; E82-R85 VanDerWaalsContact O-N 3.12Å; E82-R85 IonicContact OE1-CZ 2.65Å; E82-R85 VanDerWaalsContact OE1-CZ 3.23Å; E82-R85 IonicContact OE1-NE 2.83Å; E82-R85 PolarHBondContact OE1-NE 3.2Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH2 3.2Å; E82-R85 PolarHBondContact OE1-NH2 2.63Å; E82-R85 IonicContact OE2-CZ 3.39Å; E82-R85 IonicContact OE2-NE 3.56Å; E82-R85 PolarHBondContact OE2-NE 3.17Å; E82-R85 IonicContact OE2-NH2 3.43Å; E82-I86 WeakPolarHBondContact O-CG1 3.37Å; E82-I86 PolarHBondContact O-N 2.8Å; E82-I86 WeakPolarHBondContact OE1-CG2 3.33Å |
| 83 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -46.5 | 171.7 | -74.4 | 171.5 | 0 | 0 | 0 | 110.7 | L50 I63 I79 R85 I86 L87 L93 | L50-I83 HydrophobicContact CD2-CD1 4.39Å; L50-I83 HydrophobicContact CD2-CG1 3.75Å; I63-I83 HydrophobicContact CD1-CG2 4.17Å; I63-I83 HydrophobicContact CG2-CG2 4.26Å; I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.4Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.47Å; I79-I83 PolarHBondContact O-N 3.09Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.66Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 2.88Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CD1 3.47Å; I83-L87 PolarHBondContact O-N 2.87Å; I83-L93 HydrophobicContact CG2-CD1 3.66Å; I83-L93 HydrophobicContact CG2-CD2 3.86Å; I83-L93 HydrophobicContact CG2-CG 4.25Å |
| 84 | A | 93.9 | Very high | 93.6 | Very high | 9 Ų | 9 | 33 Ų | 33 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -32.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L80 A81 E82 S122 L124 K163 | L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 2.95Å; A81-A84 PolarHBondContact O-N 3.45Å; E82-A84 VanDerWaalsContact C-N 3.32Å; E82-A84 PolarHBondContact O-N 3.46Å; A84-S122 VanDerWaalsContact CB-O 3.31Å; A84-S122 WeakPolarHBondContact CB-O 3.39Å; A84-L124 HydrophobicContact CB-CD2 4.2Å; A84-L124 HydrophobicContact CB-CG 4.47Å; A84-K163 VanDerWaalsContact O-CD 3.23Å; A84-K163 WeakPolarHBondContact O-CD 3.44Å; A84-K163 WeakPolarHBondContact O-CE 3.44Å; A84-K163 PolarHBondContact O-NZ 3.08Å |
| 85 | R | 92.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 31.3 Ų | 31.3 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.8 | -50.9 | 175.1 | -169.7 | -170.4 | 71.4 | 78 | -2.9 | 111.4 | H55 E57 S58 A81 E82 I83 K163 | H55-R85 PolarHBondContact O-NH1 3.23Å; H55-R85 VanDerWaalsContact O-NH1 3.07Å; H55-R85 PolarHBondContact O-NH2 2.83Å; E57-R85 HydrophobicContact CG-CG 4.13Å; E57-R85 WeakPolarHBondContact CG-O 3.5Å; S58-R85 PolarHBondContact N-O 3.14Å; S58-R85 VanDerWaalsContact N-O 3.08Å; A81-R85 PolarHBondContact O-N 3.27Å; E82-R85 VanDerWaalsContact CD-NE 3.32Å; E82-R85 WeakPolarHBondContact O-CB 3.18Å; E82-R85 PolarHBondContact O-N 3.41Å; E82-R85 VanDerWaalsContact O-N 3.12Å; E82-R85 IonicContact OE1-CZ 2.65Å; E82-R85 VanDerWaalsContact OE1-CZ 3.23Å; E82-R85 IonicContact OE1-NE 2.83Å; E82-R85 PolarHBondContact OE1-NE 3.2Å; E82-R85 VanDerWaalsContact OE1-NE 3.08Å; E82-R85 IonicContact OE1-NH2 3.2Å; E82-R85 PolarHBondContact OE1-NH2 2.63Å; E82-R85 IonicContact OE2-CZ 3.39Å; E82-R85 IonicContact OE2-NE 3.56Å; E82-R85 PolarHBondContact OE2-NE 3.17Å; E82-R85 IonicContact OE2-NH2 3.43Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 2.66Å; R85-K163 PolarHBondContact O-NZ 3.49Å; R85-K163 VanDerWaalsContact O-NZ 3.1Å |
| 86 | I | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -78.7 | -19 | -175 | 67.3 | 179.2 | 0 | 0 | 0 | 113.5 | L50 H55 S58 S59 F60 I63 E82 I83 | L50-I86 HydrophobicContact CD1-CD1 4.04Å; H55-I86 HydrophobicContact CB-CB 4.43Å; H55-I86 HydrophobicContact CB-CG2 3.68Å; S58-I86 CarbonylContact C-O 3.53Å; S59-I86 PolarHBondContact N-O 2.75Å; F60-I86 HydrophobicContact CD2-CB 4.08Å; F60-I86 HydrophobicContact CD2-CD1 4.06Å; F60-I86 HydrophobicContact CD2-CG1 4.1Å; F60-I86 HydrophobicContact CE2-CD1 4.24Å; F60-I86 PolarHBondContact N-O 2.96Å; I63-I86 HydrophobicContact CD1-CD1 3.73Å; I63-I86 HydrophobicContact CD1-CG1 3.53Å; E82-I86 WeakPolarHBondContact O-CG1 3.37Å; E82-I86 PolarHBondContact O-N 2.8Å; E82-I86 WeakPolarHBondContact OE1-CG2 3.33Å; I83-I86 WeakPolarHBondContact O-CG1 3.43Å; I83-I86 PolarHBondContact O-N 2.88Å |
| 87 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 137.2 | 168.1 | -97.1 | 154.2 | 0 | 0 | 0 | 111 | S58 F60 I63 I83 L93 L124 K163 | S58-L87 WeakPolarHBondContact CA-O 3.48Å; S58-L87 PolarHBondContact OG-O 3.35Å; F60-L87 CarbonylContact O-C 3.55Å; I63-L87 HydrophobicContact CB-CD1 4.47Å; I63-L87 HydrophobicContact CD1-CD1 4.07Å; I63-L87 HydrophobicContact CD1-CD2 4.45Å; I63-L87 HydrophobicContact CD1-CG 3.63Å; I63-L87 HydrophobicContact CG1-CD1 4.25Å; I63-L87 HydrophobicContact CG1-CD2 4.14Å; I63-L87 HydrophobicContact CG1-CG 3.83Å; I83-L87 HydrophobicContact CG2-CD1 3.81Å; I83-L87 WeakPolarHBondContact O-CB 3.39Å; I83-L87 WeakPolarHBondContact O-CD1 3.47Å; I83-L87 PolarHBondContact O-N 2.87Å; L87-L93 HydrophobicContact CD1-CB 3.95Å; L87-L124 HydrophobicContact CD1-CD2 4.42Å; L87-K163 HydrophobicContact CB-CB 4.27Å; L87-K163 HydrophobicContact CB-CD 4.05Å; L87-K163 WeakPolarHBondContact O-CD 3.42Å; L87-K163 WeakPolarHBondContact O-CE 3.49Å; L87-K163 PolarHBondContact O-NZ 2.87Å |
| 88 | R | 93.4 | Very high | 93.9 | Very high | 104 Ų | 104 | 26 Ų | 26 | 39% | 0.392 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 157.4 | 171.2 | 75.3 | 168.4 | -176.3 | -159.4 | 2.6 | 111.6 | F60 D61 G90 G91 | F60-R88 WeakPolarHBondContact O-CG 3.47Å; F60-R88 PolarHBondContact O-N 2.68Å; D61-R88 WeakPolarHBondContact OD1-CD 3.32Å; D61-R88 IonicContact OD1-CZ 3.82Å; D61-R88 IonicContact OD1-NE 3.71Å; D61-R88 PolarHBondContact OD1-NE 3.18Å; D61-R88 IonicContact OD1-NH1 3.39Å; D61-R88 PolarHBondContact OD1-NH1 3.1Å; D61-R88 IonicContact OD1-NH2 2.86Å; D61-R88 IonicContact OD2-CZ 3.72Å; D61-R88 IonicContact OD2-NH1 2.97Å; D61-R88 PolarHBondContact OD2-NH1 2.72Å; R88-G90 PolarHBondContact O-N 3.35Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 3.08Å |
| 89 | P | 93.2 | Very high | 93.8 | Very high | 45 Ų | 45 | 20 Ų | 20 | 29% | 0.292 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 129.5 | 171.1 | -23 | 34 | 0 | 0 | 0 | 111 | G91 E167 | P89-G91 PolarHBondContact O-N 2.94Å; P89-E167 HydrophobicContact CG-CG 4.15Å |
| 90 | G | 91.1 | Very high | 93.7 | Very high | 26 Ų | 26 | 20 Ų | 20 | 27% | 0.268 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.5 | -3.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R88 K163 N165 | R88-G90 PolarHBondContact O-N 3.35Å; G90-K163 WeakPolarHBondContact CA-O 3.43Å; G90-K163 PolarHBondContact N-O 3Å; G90-N165 PolarHBondContact N-OD1 2.88Å |
| 91 | G | 93.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 158.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D61 R88 P89 K162 K163 | D61-G91 CarbonylContact O-C 3.55Å; D61-G91 WeakPolarHBondContact O-CA 3.3Å; R88-G91 WeakPolarHBondContact O-CA 3.43Å; R88-G91 PolarHBondContact O-N 3.08Å; P89-G91 PolarHBondContact O-N 2.94Å; G91-K162 WeakPolarHBondContact O-CA 3.44Å; G91-K162 WeakPolarHBondContact O-CG 3.45Å; G91-K163 PolarHBondContact O-N 2.65Å |
| 92 | C | 94.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 24.2 Ų | 24.2 | 22% | 0.216 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.5 | -173.8 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | D61 I62 I63 F94 | D61-C92 PolarHBondContact O-N 3.24Å; I62-C92 VanDerWaalsContact CA-O 3.3Å; I62-C92 WeakPolarHBondContact CA-O 3.32Å; I63-C92 PolarHBondContact N-O 2.98Å; C92-F94 HydrophobicContact CB-CE2 4.01Å; C92-F94 HydrophobicContact CB-CZ 4.49Å |
| 93 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.1 | 165.8 | 176.7 | 60.5 | 0 | 0 | 0 | 109.4 | I63 I83 L87 L95 L119 L124 T160 G161 | I63-L93 HydrophobicContact CB-CD1 3.99Å; I63-L93 HydrophobicContact CG2-CD1 3.95Å; I83-L93 HydrophobicContact CG2-CD1 3.66Å; I83-L93 HydrophobicContact CG2-CD2 3.86Å; I83-L93 HydrophobicContact CG2-CG 4.25Å; L87-L93 HydrophobicContact CD1-CB 3.95Å; L93-L95 HydrophobicContact CD1-CB 4.49Å; L93-L95 HydrophobicContact CD2-CB 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.33Å; L93-L95 HydrophobicContact CG-CB 4.25Å; L93-L119 HydrophobicContact CD2-CD2 4.12Å; L93-L124 HydrophobicContact CB-CD1 4.25Å; L93-L124 HydrophobicContact CD2-CD1 3.52Å; L93-T160 WeakPolarHBondContact O-CA 3.16Å; L93-T160 WeakPolarHBondContact O-CB 3.43Å; L93-T160 PolarHBondContact O-OG1 2.75Å; L93-G161 PolarHBondContact N-O 3.39Å; L93-G161 PolarHBondContact O-N 3.38Å; L93-G161 VanDerWaalsContact O-N 3.13Å |
| 94 | F | 95.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.1 | 161 | -59.9 | -90.9 | 0 | 0 | 0 | 108.8 | F4 I62 I63 L64 S65 L67 C92 L130 | F4-F94 HydrophobicContact CB-CD2 4.32Å; F4-F94 HydrophobicContact CB-CE2 4.01Å; F4-F94 HydrophobicContact CB-CZ 4.31Å; F4-F94 HydrophobicContact CD1-CB 4Å; F4-F94 AromaticContact CD1-CD1 3.73Å; F4-F94 HydrophobicContact CD1-CD1 3.73Å; F4-F94 AromaticContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CD2 3.78Å; F4-F94 HydrophobicContact CD1-CE1 4.06Å; F4-F94 HydrophobicContact CD1-CE2 4.12Å; F4-F94 AromaticContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CG 3.57Å; F4-F94 HydrophobicContact CD1-CZ 4.25Å; F4-F94 HydrophobicContact CE1-CB 4.08Å; F4-F94 HydrophobicContact CE1-CD1 4.2Å; F4-F94 HydrophobicContact CE1-CG 4.09Å; F4-F94 WeakPolarHBondContact O-CE2 3.01Å; I62-F94 HydrophobicContact CG2-CD2 4.01Å; I62-F94 HydrophobicContact CG2-CE2 4.13Å; I63-F94 PolarHBondContact O-N 2.88Å; L64-F94 WeakPolarHBondContact CA-O 3.38Å; L64-F94 HydrophobicContact CD2-CB 3.87Å; L64-F94 HydrophobicContact CD2-CD2 3.81Å; L64-F94 HydrophobicContact CD2-CG 4.22Å; S65-F94 PolarHBondContact N-O 2.81Å; L67-F94 HydrophobicContact CD1-CB 3.64Å; L67-F94 WeakPolarHBondContact CD1-O 3.33Å; C92-F94 HydrophobicContact CB-CE2 4.01Å; C92-F94 HydrophobicContact CB-CZ 4.49Å; F94-L130 HydrophobicContact CD1-CD1 3.77Å; F94-L130 HydrophobicContact CE1-CD1 3.88Å |
| 95 | L | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.5 | -173.1 | -179 | 152.4 | 0 | 0 | 0 | 109.4 | S65 H75 L80 L93 E97 L115 L119 Q158 I159 | S65-L95 WeakPolarHBondContact O-CA 3.29Å; H75-L95 HydrophobicContact CB-CD1 4.21Å; L80-L95 HydrophobicContact CD2-CD1 3.58Å; L93-L95 HydrophobicContact CD1-CB 4.49Å; L93-L95 HydrophobicContact CD2-CB 4.38Å; L93-L95 HydrophobicContact CD2-CD1 4.33Å; L93-L95 HydrophobicContact CG-CB 4.25Å; L95-E97 HydrophobicContact CD2-CB 3.75Å; L95-L115 HydrophobicContact CD2-CD1 4.31Å; L95-L115 HydrophobicContact CD2-CD2 4Å; L95-L119 HydrophobicContact CD1-CD1 4.45Å; L95-Q158 CarbonylContact O-C 3.58Å; L95-Q158 VanDerWaalsContact O-CA 3.29Å; L95-Q158 WeakPolarHBondContact O-CA 3.09Å; L95-I159 PolarHBondContact N-O 2.81Å; L95-I159 PolarHBondContact O-N 2.62Å |
| 96 | K | 94.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.7 | 169.7 | -169.8 | -177.7 | 77.1 | 158.7 | 0 | 109.2 | S65 G66 L67 F156 | S65-K96 PolarHBondContact O-N 2.91Å; G66-K96 VanDerWaalsContact O-CE 3.28Å; G66-K96 WeakPolarHBondContact O-CE 3.35Å; L67-K96 HydrophobicContact CD2-CB 3.77Å; L67-K96 HydrophobicContact CD2-CD 4.48Å; L67-K96 HydrophobicContact CG-CB 4.19Å; K96-F156 HydrophobicContact CD-CB 4.35Å; K96-F156 HydrophobicContact CD-CD1 4.05Å; K96-F156 HydrophobicContact CD-CG 4.21Å; K96-F156 HydrophobicContact CG-CB 4.28Å; K96-F156 HydrophobicContact CG-CD1 3.76Å; K96-F156 HydrophobicContact CG-CE1 4.44Å; K96-F156 HydrophobicContact CG-CG 4.26Å |
| 97 | E | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.5 | -179.8 | 173.9 | 164.5 | 142.2 | 0 | 0 | 109.1 | L74 H75 L95 K110 L115 V157 | L74-E97 HydrophobicContact CD2-CG 3.91Å; H75-E97 WeakPolarHBondContact CB-OE2 3.39Å; H75-E97 IonicContact CE1-OE2 3.45Å; H75-E97 IonicContact CG-OE2 3.63Å; H75-E97 PolarHBondContact N-OE2 3.27Å; H75-E97 IonicContact ND1-OE2 2.74Å; H75-E97 PolarHBondContact ND1-OE2 3.25Å; L95-E97 HydrophobicContact CD2-CB 3.75Å; E97-K110 IonicContact OE1-NZ 2.75Å; E97-K110 PolarHBondContact OE1-NZ 3.2Å; E97-K110 IonicContact OE2-NZ 3.38Å; E97-L115 HydrophobicContact CB-CD2 3.74Å; E97-L115 HydrophobicContact CG-CD2 4.13Å; E97-V157 PolarHBondContact N-O 3.33Å; E97-V157 PolarHBondContact O-N 3.49Å |
| 98 | P | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 129.8 | 168.9 | 30.1 | -32.2 | 0 | 0 | 0 | 108.6 | T73 L74 V109 V143 L147 L155 F156 | T73-P98 WeakPolarHBondContact O-CD 2.91Å; L74-P98 HydrophobicContact CD2-CG 4.09Å; P98-V109 WeakPolarHBondContact O-CG1 3.36Å; P98-V143 HydrophobicContact CB-CG2 4.39Å; P98-V143 HydrophobicContact CG-CG2 4.39Å; P98-L147 HydrophobicContact CG-CD1 4.15Å; P98-L155 WeakPolarHBondContact CA-O 3.22Å; P98-F156 HydrophobicContact CB-CD1 4.18Å; P98-F156 HydrophobicContact CB-CE1 3.94Å; P98-F156 HydrophobicContact CB-CZ 4.46Å; P98-F156 HydrophobicContact CG-CE1 4.17Å |
| 99 | V | 92.2 | Very high | 87 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 153.6 | 178.8 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | K110 A112 L115 L154 L155 V157 | V99-K110 WeakPolarHBondContact CA-O 3.4Å; V99-K110 WeakPolarHBondContact CB-O 3.4Å; V99-K110 WeakPolarHBondContact CG1-O 3.47Å; V99-A112 HydrophobicContact CG2-CB 4.32Å; V99-L115 HydrophobicContact CG1-CD2 3.87Å; V99-L154 WeakPolarHBondContact O-CA 3.33Å; V99-L155 WeakPolarHBondContact CG2-O 3.49Å; V99-L155 PolarHBondContact N-O 2.87Å; V99-L155 PolarHBondContact O-N 2.81Å; V99-V157 HydrophobicContact CG2-CB 3.93Å; V99-V157 HydrophobicContact CG2-CG2 3.27Å |
| 100 | E | 90.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.8 | 171.6 | -74.1 | 168.3 | -150.3 | 0 | 0 | 111.2 | A102 D104 S107 V109 K110 H149 L154 | E100-A102 VanDerWaalsContact CB-O 3.29Å; E100-A102 WeakPolarHBondContact CB-O 3.34Å; E100-D104 WeakPolarHBondContact OE2-CB 3.05Å; E100-D104 PolarHBondContact OE2-N 3.44Å; E100-S107 WeakPolarHBondContact OE1-CB 3.43Å; E100-S107 PolarHBondContact OE1-OG 3.37Å; E100-V109 HydrophobicContact CB-CG1 4.47Å; E100-V109 HydrophobicContact CG-CB 4.21Å; E100-V109 HydrophobicContact CG-CG1 3.84Å; E100-V109 WeakPolarHBondContact OE1-CB 3.3Å; E100-K110 PolarHBondContact N-O 3Å; E100-K110 VanDerWaalsContact N-O 3.1Å; E100-H149 IonicContact OE1-CD2 3.89Å; E100-H149 IonicContact OE1-CE1 2.72Å; E100-H149 PolarHBondContact OE1-CE1 3.3Å; E100-H149 IonicContact OE1-ND1 3.5Å; E100-H149 IonicContact OE1-NE2 3.03Å; E100-H149 PolarHBondContact OE1-NE2 3.11Å; E100-L154 HydrophobicContact CG-CD2 3.65Å |
| 101 | T | 84.3 | Confident | 86.9 | Confident | 86 Ų | 86 | 46.3 Ų | 46.3 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -82.6 | -27.7 | 172.6 | 53 | 0 | 0 | 0 | 0 | 112.7 | H153 L155 | T101-H153 PolarHBondContact N-O 3.49Å; T101-H153 WeakPolarHBondContact OG1-CB 3.45Å; T101-H153 PolarHBondContact OG1-O 3.41Å; T101-H153 VanDerWaalsContact OG1-O 3.07Å; T101-L155 HydrophobicContact CG2-CD1 3.43Å; T101-L155 VanDerWaalsContact CG2-CD1 3.43Å; T101-L155 HydrophobicContact CG2-CG 3.99Å |
| 102 | A | 80.3 | Confident | 86.9 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -97.8 | 156.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E100 D104 | E100-A102 VanDerWaalsContact CB-O 3.29Å; E100-A102 WeakPolarHBondContact CB-O 3.34Å; A102-D104 PolarHBondContact O-N 2.88Å |
| 103 | V | 76.6 | Confident | 86.8 | Confident | 113 Ų | 113 | 49.3 Ų | 49.3 | 69% | 0.685 | 28% | 0.278 | S | S | * | . | trans | -84.6 | 103.1 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | T111 | V103-T111 HydrophobicContact CG2-CG2 4.02Š| ||
| 104 | D | 74.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 55.7 Ų | 55.7 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | trans | -94.3 | 127.8 | 158.4 | -168 | 3.2 | 0 | 0 | 0 | 109.6 | E100 A102 N106 H149 | E100-D104 WeakPolarHBondContact OE2-CB 3.05Å; E100-D104 PolarHBondContact OE2-N 3.44Å; A102-D104 PolarHBondContact O-N 2.88Å; D104-N106 PolarHBondContact OD1-N 3.4Å; D104-H149 IonicContact OD2-NE2 3.93Å | ||
| 105 | N | 72.9 | Confident | 86.6 | Confident | 142 Ų | 142 | 54.9 Ų | 54.9 | 76% | 0.759 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -87.7 | -11.6 | 176.8 | -72.8 | -36.9 | 0 | 0 | 0 | 112.3 | ||
| 106 | N | 70.6 | Confident | 86.5 | Confident | 157 Ų | 157 | 56.3 Ų | 56.3 | 84% | 0.84 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -94.1 | -9.3 | -178 | -70.6 | -18.6 | 0 | 0 | 0 | 113.1 | D104 | D104-N106 PolarHBondContact OD1-N 3.4Š|
| 107 | S | 74.1 | Confident | 86.5 | Confident | 23 Ų | 23 | 58.1 Ų | 58.1 | 16% | 0.161 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -98.4 | 153.8 | -179.9 | 88.5 | 0 | 0 | 0 | 0 | 112.6 | E100 V109 H149 | E100-S107 WeakPolarHBondContact OE1-CB 3.43Å; E100-S107 PolarHBondContact OE1-OG 3.37Å; S107-V109 PolarHBondContact OG-N 3.06Å; S107-V109 PolarHBondContact OG-O 3.47Å; S107-H149 WeakPolarHBondContact CB-CD2 3.23Å; S107-H149 WeakPolarHBondContact CB-NE2 3.4Å |
| 108 | K | 81.7 | Confident | 86.6 | Confident | 177 Ų | 177 | 59.2 Ų | 59.2 | 77% | 0.77 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -79.1 | -8.7 | 171 | -67.2 | 179.3 | -177.5 | 178.5 | 0 | 112.3 | L74 | L74-K108 HydrophobicContact CD1-CB 4.04Š|
| 109 | V | 88.3 | Confident | 86.7 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 137.1 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | P98 E100 S107 H149 L154 | P98-V109 WeakPolarHBondContact O-CG1 3.36Å; E100-V109 HydrophobicContact CB-CG1 4.47Å; E100-V109 HydrophobicContact CG-CB 4.21Å; E100-V109 HydrophobicContact CG-CG1 3.84Å; E100-V109 WeakPolarHBondContact OE1-CB 3.3Å; S107-V109 PolarHBondContact OG-N 3.06Å; S107-V109 PolarHBondContact OG-O 3.47Å; V109-H149 HydrophobicContact CG2-CB 4.3Å; V109-L154 HydrophobicContact CG1-CD2 4.06Å |
| 110 | K | 90.3 | Very high | 86.8 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 159.6 | -175.9 | -56.7 | 179.5 | -154.2 | 69.3 | 0 | 109.4 | H75 E97 V99 E100 K114 L115 | H75-K110 VanDerWaalsContact O-CE 3.27Å; H75-K110 WeakPolarHBondContact O-CE 3.48Å; H75-K110 PolarHBondContact O-NZ 3.05Å; E97-K110 IonicContact OE1-NZ 2.75Å; E97-K110 PolarHBondContact OE1-NZ 3.2Å; E97-K110 IonicContact OE2-NZ 3.38Å; V99-K110 WeakPolarHBondContact CA-O 3.4Å; V99-K110 WeakPolarHBondContact CB-O 3.4Å; V99-K110 WeakPolarHBondContact CG1-O 3.47Å; E100-K110 PolarHBondContact N-O 3Å; E100-K110 VanDerWaalsContact N-O 3.1Å; K110-K114 HydrophobicContact CB-CB 4.27Å; K110-K114 HydrophobicContact CB-CD 4.34Å; K110-K114 HydrophobicContact CB-CG 4.38Å; K110-K114 HydrophobicContact CG-CD 4.36Å; K110-L115 HydrophobicContact CD-CD1 4.47Å |
| 111 | T | 92.8 | Very high | 87 | Confident | 36 Ų | 36 | 69.8 Ų | 69.8 | 22% | 0.221 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 159.1 | 162.2 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | V103 S113 K114 L115 | V103-T111 HydrophobicContact CG2-CG2 4.02Å; T111-S113 PolarHBondContact O-N 3.28Å; T111-K114 PolarHBondContact O-N 2.9Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-K114 WeakPolarHBondContact OG1-CB 3.17Å; T111-K114 PolarHBondContact OG1-N 3.31Å; T111-L115 PolarHBondContact O-N 3.45Å |
| 112 | A | 92.9 | Very high | 87.3 | Confident | 12 Ų | 12 | 66.7 Ų | 66.7 | 10% | 0.099 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.6 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V99 L115 C116 V157 | V99-A112 HydrophobicContact CG2-CB 4.32Å; A112-L115 PolarHBondContact O-N 3.02Å; A112-C116 PolarHBondContact O-N 3.39Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.35Å; A112-V157 HydrophobicContact CB-CG2 4.38Å |
| 113 | S | 92.7 | Very high | 87.8 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 59% | 0.594 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 178.1 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | T111 L115 C116 S117 | T111-S113 PolarHBondContact O-N 3.28Å; S113-L115 VanDerWaalsContact C-N 3.33Å; S113-C116 PolarHBondContact O-N 2.89Å; S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.13Å; S113-S117 PolarHBondContact O-OG 2.9Å |
| 114 | K | 93.1 | Very high | 88.7 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67.9 | -36.6 | 178 | -173.1 | 174.8 | -176.9 | 179.9 | 0 | 110.9 | K110 T111 S117 A118 | K110-K114 HydrophobicContact CB-CB 4.27Å; K110-K114 HydrophobicContact CB-CD 4.34Å; K110-K114 HydrophobicContact CB-CG 4.38Å; K110-K114 HydrophobicContact CG-CD 4.36Å; T111-K114 PolarHBondContact O-N 2.9Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-K114 WeakPolarHBondContact OG1-CB 3.17Å; T111-K114 PolarHBondContact OG1-N 3.31Å; K114-S117 PolarHBondContact O-N 3.37Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å |
| 115 | L | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 174.1 | -176.2 | 60.3 | 0 | 0 | 0 | 111.8 | L95 E97 V99 K110 T111 A112 S113 S117 A118 L119 I159 | L95-L115 HydrophobicContact CD2-CD1 4.31Å; L95-L115 HydrophobicContact CD2-CD2 4Å; E97-L115 HydrophobicContact CB-CD2 3.74Å; E97-L115 HydrophobicContact CG-CD2 4.13Å; V99-L115 HydrophobicContact CG1-CD2 3.87Å; K110-L115 HydrophobicContact CD-CD1 4.47Å; T111-L115 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 3.02Å; S113-L115 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.3Å; L115-A118 WeakPolarHBondContact O-CB 3.36Å; L115-A118 PolarHBondContact O-N 3.43Å; L115-A118 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CD1-CD1 3.79Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 PolarHBondContact O-N 3.12Å; L115-I159 HydrophobicContact CB-CD1 4.12Å; L115-I159 HydrophobicContact CD2-CD1 3.45Å; L115-I159 VanDerWaalsContact CD2-CD1 3.45Å; L115-I159 HydrophobicContact CD2-CG1 4.5Å; L115-I159 HydrophobicContact CG-CD1 3.59Å |
| 116 | C | 94 | Very high | 90.6 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 20% | 0.203 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.1 | -40.9 | 174.2 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | A112 S113 L119 T120 V127 | A112-C116 PolarHBondContact O-N 3.39Å; A112-C116 PolarHBondContact O-SG 3.42Å; A112-C116 VanDerWaalsContact O-SG 3.35Å; S113-C116 PolarHBondContact O-N 2.89Å; C116-L119 PolarHBondContact O-N 3.01Å; C116-T120 PolarHBondContact O-N 3.07Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 3.02Å; C116-V127 HydrophobicContact CB-CG1 4.22Å |
| 117 | S | 94.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176.9 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | S113 K114 L115 L119 T120 L121 | S113-S117 WeakPolarHBondContact O-CB 3.46Å; S113-S117 PolarHBondContact O-N 3.13Å; S113-S117 PolarHBondContact O-OG 2.9Å; K114-S117 PolarHBondContact O-N 3.37Å; L115-S117 PolarHBondContact O-N 3.3Å; S117-L119 PolarHBondContact O-N 3.2Å; S117-T120 WeakPolarHBondContact O-CB 3.44Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 VanDerWaalsContact O-N 3.16Å; S117-L121 VanDerWaalsContact O-CG 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.02Å |
| 118 | A | 94.9 | Very high | 92.7 | Very high | 22 Ų | 22 | 58 Ų | 58 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L80 K114 L115 T120 L121 S122 | L80-A118 HydrophobicContact CD1-CB 3.81Å; K114-A118 WeakPolarHBondContact O-CB 3.29Å; K114-A118 PolarHBondContact O-N 2.88Å; L115-A118 WeakPolarHBondContact O-CB 3.36Å; L115-A118 PolarHBondContact O-N 3.43Å; L115-A118 VanDerWaalsContact O-N 3.08Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 2.89Å; A118-L121 PolarHBondContact O-N 3.16Å; A118-S122 PolarHBondContact O-N 2.78Å |
| 119 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -36.7 | 173.9 | -84.4 | 81.4 | 0 | 0 | 0 | 112.2 | L80 L93 L95 L115 C116 S117 S122 L124 V127 I159 | L80-L119 HydrophobicContact CD1-CD1 4.25Å; L80-L119 HydrophobicContact CD2-CD1 4.36Å; L80-L119 HydrophobicContact CD2-CG 4.43Å; L93-L119 HydrophobicContact CD2-CD2 4.12Å; L95-L119 HydrophobicContact CD1-CD1 4.45Å; L115-L119 HydrophobicContact CD1-CD1 3.79Å; L115-L119 HydrophobicContact CG-CD1 3.97Å; L115-L119 WeakPolarHBondContact O-CD1 3.42Å; L115-L119 PolarHBondContact O-N 3.12Å; C116-L119 PolarHBondContact O-N 3.01Å; S117-L119 PolarHBondContact O-N 3.2Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-S122 PolarHBondContact O-OG 3.45Å; L119-L124 HydrophobicContact CB-CD1 4.32Å; L119-L124 HydrophobicContact CD2-CD1 4.17Å; L119-L124 HydrophobicContact CG-CD1 4.26Å; L119-L124 WeakPolarHBondContact O-CB 3.31Å; L119-L124 PolarHBondContact O-N 3.03Å; L119-V127 HydrophobicContact CB-CG1 4.09Å; L119-V127 HydrophobicContact CB-CG2 4.02Å; L119-V127 HydrophobicContact CD2-CG1 4.24Å; L119-I159 HydrophobicContact CD2-CB 4.45Å; L119-I159 HydrophobicContact CD2-CG2 3.8Å |
| 120 | T | 94.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 50% | 0.503 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | C116 S117 A118 S122 G123 | C116-T120 PolarHBondContact O-N 3.07Å; C116-T120 VanDerWaalsContact O-N 3.09Å; C116-T120 PolarHBondContact O-OG1 3.02Å; S117-T120 WeakPolarHBondContact O-CB 3.44Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 VanDerWaalsContact O-N 3.16Å; A118-T120 VanDerWaalsContact C-N 3.3Å; A118-T120 PolarHBondContact O-N 2.89Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.13Å; T120-G123 PolarHBondContact O-N 2.78Å; T120-G123 VanDerWaalsContact O-N 3.13Å |
| 121 | L | 93.4 | Very high | 93.4 | Very high | 153 Ų | 153 | 59.5 Ų | 59.5 | 80% | 0.801 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.1 | -26.4 | 177.7 | -69.1 | 171.1 | 0 | 0 | 0 | 112.9 | S117 A118 G123 | S117-L121 VanDerWaalsContact O-CG 3.3Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.02Å; A118-L121 PolarHBondContact O-N 3.16Å; L121-G123 PolarHBondContact O-N 2.86Å |
| 122 | S | 92.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.2 | 173.4 | 75.8 | 0 | 0 | 0 | 0 | 113.7 | A84 A118 L119 T120 | A84-S122 VanDerWaalsContact CB-O 3.31Å; A84-S122 WeakPolarHBondContact CB-O 3.39Å; A118-S122 PolarHBondContact O-N 2.78Å; L119-S122 PolarHBondContact O-N 2.88Å; L119-S122 PolarHBondContact O-OG 3.45Å; T120-S122 VanDerWaalsContact C-N 3.28Å; T120-S122 PolarHBondContact O-N 3.13Å |
| 123 | G | 90.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 68.1 Ų | 68.1 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | 10.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T120 L121 P164 | T120-G123 PolarHBondContact O-N 2.78Å; T120-G123 VanDerWaalsContact O-N 3.13Å; L121-G123 PolarHBondContact O-N 2.86Å; G123-P164 WeakPolarHBondContact O-CD 3.46Å |
| 124 | L | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | trans | -85.4 | 144.1 | 174.2 | -58.7 | 171.9 | 0 | 0 | 0 | 111 | A84 L87 L93 L119 V127 K163 | A84-L124 HydrophobicContact CB-CD2 4.2Å; A84-L124 HydrophobicContact CB-CG 4.47Å; L87-L124 HydrophobicContact CD1-CD2 4.42Å; L93-L124 HydrophobicContact CB-CD1 4.25Å; L93-L124 HydrophobicContact CD2-CD1 3.52Å; L119-L124 HydrophobicContact CB-CD1 4.32Å; L119-L124 HydrophobicContact CD2-CD1 4.17Å; L119-L124 HydrophobicContact CG-CD1 4.26Å; L119-L124 WeakPolarHBondContact O-CB 3.31Å; L119-L124 PolarHBondContact O-N 3.03Å; L124-V127 HydrophobicContact CB-CG2 4.31Å; L124-K163 HydrophobicContact CD2-CB 4.37Å | ||
| 125 | V | 94.5 | Very high | 93 | Very high | 59 Ų | 59 | 63.7 Ų | 63.7 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 168.6 | 174.9 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | V127 K162 P164 | V125-V127 PolarHBondContact O-N 2.84Å; V125-K162 VanDerWaalsContact CG2-O 3.29Å; V125-K162 WeakPolarHBondContact CG2-O 3.32Å; V125-K162 PolarHBondContact N-O 2.96Å; V125-K162 PolarHBondContact O-N 2.85Å; V125-P164 HydrophobicContact CG1-CB 4.01Å; V125-P164 HydrophobicContact CG1-CG 4.18Å; V125-P164 HydrophobicContact CG2-CB 3.96Å |
| 126 | E | 93.6 | Very high | 92.8 | Very high | 111 Ų | 111 | 66.5 Ų | 66.5 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.6 | 36.6 | -178.6 | -59.5 | 179.2 | -164.7 | 0 | 0 | 113.3 | K128 K162 | E126-K128 PolarHBondContact O-N 3.06Å; E126-K162 IonicContact OE2-NZ 3.64Å |
| 127 | V | 94.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 70 Ų | 70 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 119.8 | 179.5 | -176 | 0 | 0 | 0 | 0 | 109.8 | C116 L119 L124 V125 I159 T160 | C116-V127 HydrophobicContact CB-CG1 4.22Å; L119-V127 HydrophobicContact CB-CG1 4.09Å; L119-V127 HydrophobicContact CB-CG2 4.02Å; L119-V127 HydrophobicContact CD2-CG1 4.24Å; L124-V127 HydrophobicContact CB-CG2 4.31Å; V125-V127 PolarHBondContact O-N 2.84Å; V127-I159 HydrophobicContact CG1-CG2 3.58Å; V127-T160 CarbonylContact C-O 3.59Å; V127-T160 VanDerWaalsContact CA-O 3.26Å; V127-T160 WeakPolarHBondContact CA-O 3.3Å |
| 128 | K | 94.1 | Very high | 92.1 | Very high | 122 Ų | 122 | 73.4 Ų | 73.4 | 53% | 0.53 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 134.1 | -176.4 | -67.9 | 171.7 | -169.3 | 171.8 | 0 | 110.9 | E126 I159 T160 | E126-K128 PolarHBondContact O-N 3.06Å; K128-I159 CarbonylContact O-C 3.56Å; K128-I159 WeakPolarHBondContact O-CA 3.2Å; K128-I159 WeakPolarHBondContact O-CG2 3.48Å; K128-T160 HydrophobicContact CB-CG2 3.96Å; K128-T160 PolarHBondContact N-O 3.06Å; K128-T160 PolarHBondContact O-N 2.66Å |
| 129 | E | 94.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 73.2 Ų | 73.2 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.8 | 167.8 | -158.2 | -171.8 | 108 | 0 | 0 | 109.4 | R132 V157 I159 | E129-R132 VanDerWaalsContact CD-NE 3.34Å; E129-R132 WeakPolarHBondContact OE1-CD 3.14Å; E129-R132 WeakPolarHBondContact OE1-CG 3.45Å; E129-R132 IonicContact OE1-CZ 3.82Å; E129-R132 IonicContact OE1-NE 2.7Å; E129-R132 PolarHBondContact OE1-NE 2.62Å; E129-R132 IonicContact OE1-NH2 3.73Å; E129-R132 PolarHBondContact OE1-NH2 2.98Å; E129-R132 IonicContact OE2-CZ 3.64Å; E129-R132 IonicContact OE2-NE 3.07Å; E129-R132 PolarHBondContact OE2-NE 3.43Å; E129-R132 IonicContact OE2-NH2 3.08Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; E129-V157 HydrophobicContact CG-CG1 3.36Å; E129-I159 HydrophobicContact CG-CG1 4.42Å |
| 130 | L | 90.6 | Very high | 91.4 | Very high | 80 Ų | 80 | 75.7 Ų | 75.7 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -49.8 | -178 | -64.1 | -178.2 | 0 | 0 | 0 | 111.7 | F94 Q158 T160 | F94-L130 HydrophobicContact CD1-CD1 3.77Å; F94-L130 HydrophobicContact CE1-CD1 3.88Å; L130-Q158 HydrophobicContact CB-CB 4.49Å; L130-Q158 HydrophobicContact CB-CG 4.4Å; L130-Q158 HydrophobicContact CD1-CG 4.41Å; L130-Q158 PolarHBondContact N-O 3.18Å; L130-T160 HydrophobicContact CD1-CG2 4.02Å; L130-T160 HydrophobicContact CD2-CG2 3.78Å; L130-T160 HydrophobicContact CG-CG2 3.89Å |
| 131 | Q | 90.6 | Very high | 91 | Very high | 94 Ų | 94 | 76.6 Ų | 76.6 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 150.6 | -171.2 | -63.5 | -174.1 | -4.3 | 0 | 0 | 111.1 | Q158 | Q131-Q158 HydrophobicContact CB-CB 4.26Å; Q131-Q158 PolarHBondContact N-O 3.08Å; Q131-Q158 PolarHBondContact O-N 2.83Å |
| 132 | R | 93.1 | Very high | 90.7 | Very high | 137 Ų | 137 | 70.4 Ų | 70.4 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.8 | 167.2 | -55.2 | -159.6 | 174.1 | 178.7 | -2.1 | 109.4 | E129 F156 V157 | E129-R132 VanDerWaalsContact CD-NE 3.34Å; E129-R132 WeakPolarHBondContact OE1-CD 3.14Å; E129-R132 WeakPolarHBondContact OE1-CG 3.45Å; E129-R132 IonicContact OE1-CZ 3.82Å; E129-R132 IonicContact OE1-NE 2.7Å; E129-R132 PolarHBondContact OE1-NE 2.62Å; E129-R132 IonicContact OE1-NH2 3.73Å; E129-R132 PolarHBondContact OE1-NH2 2.98Å; E129-R132 IonicContact OE2-CZ 3.64Å; E129-R132 IonicContact OE2-NE 3.07Å; E129-R132 PolarHBondContact OE2-NE 3.43Å; E129-R132 IonicContact OE2-NH2 3.08Å; E129-R132 PolarHBondContact OE2-NH2 3.13Å; R132-F156 CarbonylContact C-O 3.53Å; R132-F156 VanDerWaalsContact CA-O 3.25Å; R132-F156 WeakPolarHBondContact CA-O 3.43Å; R132-V157 HydrophobicContact CG-CG2 4Å |
| 133 | E | 91.3 | Very high | 90.4 | Very high | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.5 | 180 | -63.2 | -172 | 155.8 | 0 | 0 | 110.4 | F156 | E133-F156 HydrophobicContact CB-CB 4.32Å; E133-F156 PolarHBondContact N-O 2.9Å; E133-F156 PolarHBondContact O-N 3.33Å |
| 134 | P | 90.7 | Very high | 90.2 | Very high | 102 Ų | 102 | 72 Ų | 72 | 66% | 0.662 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 148.5 | 169.2 | 30.8 | -33.4 | 0 | 0 | 0 | 110.2 | ||
| 135 | L | 88.3 | Confident | 89.9 | Confident | 26 Ų | 26 | 78 Ų | 78 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 143.2 | 177.6 | -75.8 | 70.2 | 0 | 0 | 0 | 110.5 | E139 V140 V143 L154 L155 F156 | L135-E139 HydrophobicContact CB-CB 4.23Å; L135-E139 HydrophobicContact CG-CB 4.44Å; L135-V140 HydrophobicContact CB-CG2 3.67Å; L135-V140 HydrophobicContact CD2-CG2 4.14Å; L135-V143 HydrophobicContact CD2-CG2 3.88Å; L135-L154 HydrophobicContact CD1-CB 3.91Å; L135-L154 WeakPolarHBondContact CD1-O 3.28Å; L135-L154 HydrophobicContact CD2-CB 3.97Å; L135-L154 HydrophobicContact CD2-CD1 4.28Å; L135-L155 VanDerWaalsContact CD1-C 3.47Å; L135-L155 VanDerWaalsContact CD1-CA 3.44Å; L135-F156 HydrophobicContact CB-CE2 4.47Å; L135-F156 HydrophobicContact CD1-CD2 3.91Å; L135-F156 HydrophobicContact CD1-CE2 4.29Å; L135-F156 HydrophobicContact CD1-CG 4.39Å; L135-F156 HydrophobicContact CD2-CE2 4.29Å; L135-F156 HydrophobicContact CG-CD2 3.71Å; L135-F156 HydrophobicContact CG-CE2 3.62Å; L135-F156 HydrophobicContact CG-CZ 4.45Å |
| 136 | T | 89.7 | Confident | 89.4 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 36% | 0.362 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -74.4 | 159.6 | 166.9 | 79.9 | 0 | 0 | 0 | 0 | 110.8 | E138 E139 V140 | T136-E138 VanDerWaalsContact CB-OE2 3.24Å; T136-E138 WeakPolarHBondContact CB-OE2 3.44Å; T136-E138 PolarHBondContact O-N 2.86Å; T136-E138 PolarHBondContact OG1-OE2 2.88Å; T136-E139 PolarHBondContact N-OE2 3.05Å; T136-E139 PolarHBondContact O-N 3.44Å; T136-E139 PolarHBondContact OG1-N 3.06Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.77Å |
| 137 | P | 86.7 | Confident | 88.9 | Confident | 103 Ų | 103 | 75.8 Ų | 75.8 | 67% | 0.669 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -55.5 | -34.9 | 178 | -25.7 | 35.6 | 0 | 0 | 0 | 113.5 | V140 Q141 | P137-V140 PolarHBondContact O-N 2.89Å; P137-Q141 PolarHBondContact O-N 3.16Å |
| 138 | E | 86.7 | Confident | 88.3 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68.7 | -37.8 | 177 | -56 | 76.2 | -163.3 | 0 | 0 | 112 | T136 Q141 S142 | T136-E138 VanDerWaalsContact CB-OE2 3.24Å; T136-E138 WeakPolarHBondContact CB-OE2 3.44Å; T136-E138 PolarHBondContact O-N 2.86Å; T136-E138 PolarHBondContact OG1-OE2 2.88Å; E138-Q141 PolarHBondContact O-N 3.33Å; E138-S142 WeakPolarHBondContact O-CB 3.38Å; E138-S142 PolarHBondContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.46Å |
| 139 | E | 87 | Confident | 87.6 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 176.1 | -68.6 | 172 | 148 | 0 | 0 | 111.1 | G70 T72 L135 T136 Q141 S142 V143 F156 | G70-E139 PolarHBondContact N-OE1 2.87Å; T72-E139 HydrophobicContact CG2-CB 4.37Å; L135-E139 HydrophobicContact CB-CB 4.23Å; L135-E139 HydrophobicContact CG-CB 4.44Å; T136-E139 PolarHBondContact N-OE2 3.05Å; T136-E139 PolarHBondContact O-N 3.44Å; T136-E139 PolarHBondContact OG1-N 3.06Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.26Å; E139-S142 WeakPolarHBondContact O-CB 3.27Å; E139-S142 PolarHBondContact O-N 3.22Å; E139-V143 WeakPolarHBondContact O-CG2 3.44Å; E139-V143 PolarHBondContact O-N 3.08Å; E139-F156 HydrophobicContact CB-CE2 4.07Å; E139-F156 VanDerWaalsContact CD-CE2 3.46Å; E139-F156 HydrophobicContact CG-CE2 4.15Å; E139-F156 WeakPolarHBondContact OE2-CE2 3.47Å |
| 140 | V | 87.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 75 Ų | 75 | 31% | 0.309 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L135 T136 P137 S142 V143 R144 | L135-V140 HydrophobicContact CB-CG2 3.67Å; L135-V140 HydrophobicContact CD2-CG2 4.14Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.77Å; P137-V140 PolarHBondContact O-N 2.89Å; V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.35Å; V140-V143 PolarHBondContact O-N 2.91Å; V140-R144 PolarHBondContact O-N 3.47Å; V140-R144 VanDerWaalsContact O-N 3.07Å |
| 141 | Q | 87.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 72.9 Ų | 72.9 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.5 | -175 | 60.5 | 28.8 | 0 | 0 | 111.5 | P137 E138 E139 R144 E145 | P137-Q141 PolarHBondContact O-N 3.16Å; E138-Q141 PolarHBondContact O-N 3.33Å; E139-Q141 VanDerWaalsContact C-N 3.31Å; E139-Q141 PolarHBondContact O-N 3.26Å; Q141-R144 WeakPolarHBondContact O-CB 3.4Å; Q141-R144 PolarHBondContact O-N 2.97Å; Q141-E145 WeakPolarHBondContact O-CB 3.48Å; Q141-E145 PolarHBondContact O-N 3.01Å |
| 142 | S | 86.5 | Confident | 85.7 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 16% | 0.161 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | E138 E139 V140 R144 E145 Y146 | E138-S142 WeakPolarHBondContact O-CB 3.38Å; E138-S142 PolarHBondContact O-N 3.11Å; E138-S142 PolarHBondContact O-OG 3.46Å; E139-S142 WeakPolarHBondContact O-CB 3.27Å; E139-S142 PolarHBondContact O-N 3.22Å; V140-S142 VanDerWaalsContact C-N 3.32Å; V140-S142 PolarHBondContact O-N 3.35Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.46Å; S142-E145 PolarHBondContact O-N 3.28Å; S142-Y146 WeakPolarHBondContact O-CB 3.24Å; S142-Y146 VanDerWaalsContact O-CD2 3.27Å; S142-Y146 WeakPolarHBondContact O-CD2 3.4Å; S142-Y146 PolarHBondContact O-N 3.09Å |
| 143 | V | 86.6 | Confident | 85.3 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -59.3 | -44.8 | 172.1 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | T72 P98 L135 E139 V140 L147 G148 H149 L154 | T72-V143 HydrophobicContact CG2-CG2 3.49Å; T72-V143 VanDerWaalsContact CG2-CG2 3.49Å; P98-V143 HydrophobicContact CB-CG2 4.39Å; P98-V143 HydrophobicContact CG-CG2 4.39Å; L135-V143 HydrophobicContact CD2-CG2 3.88Å; E139-V143 WeakPolarHBondContact O-CG2 3.44Å; E139-V143 PolarHBondContact O-N 3.08Å; V140-V143 PolarHBondContact O-N 2.91Å; V143-L147 HydrophobicContact CB-CD1 4.42Å; V143-L147 HydrophobicContact CG1-CB 4.31Å; V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG2-CD1 4.23Å; V143-L147 CarbonylContact O-C 3.59Å; V143-L147 VanDerWaalsContact O-CA 3.31Å; V143-L147 WeakPolarHBondContact O-CA 3.4Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 PolarHBondContact O-N 3.35Å; V143-G148 PolarHBondContact O-N 3.5Å; V143-H149 HydrophobicContact CG1-CB 4.18Å; V143-L154 HydrophobicContact CB-CD1 4.35Å; V143-L154 HydrophobicContact CG1-CD1 3.71Å; V143-L154 HydrophobicContact CG2-CD1 4.46Å |
| 144 | R | 86.8 | Confident | 85.1 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -63.2 | -44.7 | 179.1 | -169.4 | -172.7 | -59.1 | -135.5 | -8.7 | 112.2 | V140 Q141 S142 G148 H149 E150 | V140-R144 PolarHBondContact O-N 3.47Å; V140-R144 VanDerWaalsContact O-N 3.07Å; Q141-R144 WeakPolarHBondContact O-CB 3.4Å; Q141-R144 PolarHBondContact O-N 2.97Å; S142-R144 VanDerWaalsContact C-N 3.31Å; S142-R144 PolarHBondContact O-N 3.46Å; R144-G148 VanDerWaalsContact O-CA 3.26Å; R144-G148 WeakPolarHBondContact O-CA 3.25Å; R144-G148 PolarHBondContact O-N 2.97Å; R144-H149 WeakPolarHBondContact CA-O 3.49Å; R144-E150 IonicContact CZ-OE1 2.99Å; R144-E150 IonicContact CZ-OE2 3.93Å; R144-E150 VanDerWaalsContact NH1-CD 3.26Å; R144-E150 IonicContact NH1-OE1 2.7Å; R144-E150 PolarHBondContact NH1-OE1 3.04Å; R144-E150 IonicContact NH1-OE2 3.55Å; R144-E150 IonicContact NH2-OE1 2.78Å; R144-E150 PolarHBondContact NH2-OE1 3.24Å |
| 145 | E | 87.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -72.4 | -46.8 | -177.6 | -175 | 175.9 | 171.6 | 0 | 0 | 112.7 | Q141 S142 | Q141-E145 WeakPolarHBondContact O-CB 3.48Å; Q141-E145 PolarHBondContact O-N 3.01Å; S142-E145 PolarHBondContact O-N 3.28Å |
| 146 | Y | 83.6 | Confident | 85.5 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 33% | 0.325 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -93.3 | -31.8 | -171.7 | -64.8 | -62.1 | 0 | 0 | 0 | 114.1 | K18 S142 | K18-Y146 HydrophobicContact CD-CD1 3.9Å; K18-Y146 HydrophobicContact CD-CE1 4.1Å; K18-Y146 VanDerWaalsContact CE-CD1 3.48Å; K18-Y146 HydrophobicContact CG-CD1 4.06Å; K18-Y146 HydrophobicContact CG-CE1 4.12Å; S142-Y146 WeakPolarHBondContact O-CB 3.24Å; S142-Y146 VanDerWaalsContact O-CD2 3.27Å; S142-Y146 WeakPolarHBondContact O-CD2 3.4Å; S142-Y146 PolarHBondContact O-N 3.09Å |
| 147 | L | 82.9 | Confident | 85.7 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -100.2 | -11.6 | 179.8 | -50.7 | -179.1 | 0 | 0 | 0 | 112.3 | L74 P98 V143 H149 | L74-L147 HydrophobicContact CD1-CD1 3.97Å; L74-L147 HydrophobicContact CD1-CD2 3.69Å; L74-L147 HydrophobicContact CD1-CG 4.32Å; L74-L147 HydrophobicContact CD2-CD1 3.95Å; L74-L147 HydrophobicContact CG-CD1 3.76Å; L74-L147 HydrophobicContact CG-CD2 3.71Å; L74-L147 HydrophobicContact CG-CG 4.37Å; P98-L147 HydrophobicContact CG-CD1 4.15Å; V143-L147 HydrophobicContact CB-CD1 4.42Å; V143-L147 HydrophobicContact CG1-CB 4.31Å; V143-L147 HydrophobicContact CG1-CD1 4.02Å; V143-L147 HydrophobicContact CG2-CD1 4.23Å; V143-L147 CarbonylContact O-C 3.59Å; V143-L147 VanDerWaalsContact O-CA 3.31Å; V143-L147 WeakPolarHBondContact O-CA 3.4Å; V143-L147 WeakPolarHBondContact O-CB 3.44Å; V143-L147 PolarHBondContact O-N 3.35Å; L147-H149 HydrophobicContact CB-CB 4.39Å; L147-H149 PolarHBondContact O-N 3.43Å |
| 148 | G | 82.3 | Confident | 86.1 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | trans | 64.4 | 25.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V143 R144 | V143-G148 PolarHBondContact O-N 3.5Å; R144-G148 VanDerWaalsContact O-CA 3.26Å; R144-G148 WeakPolarHBondContact O-CA 3.25Å; R144-G148 PolarHBondContact O-N 2.97Å | ||
| 149 | H | 80.7 | Confident | 86.5 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | trans | -117.9 | 126.6 | -172 | -169.7 | -102.8 | 0 | 0 | 0 | 111.2 | E100 D104 S107 V109 V143 R144 L147 S151 | E100-H149 IonicContact OE1-CD2 3.89Å; E100-H149 IonicContact OE1-CE1 2.72Å; E100-H149 PolarHBondContact OE1-CE1 3.3Å; E100-H149 IonicContact OE1-ND1 3.5Å; E100-H149 IonicContact OE1-NE2 3.03Å; E100-H149 PolarHBondContact OE1-NE2 3.11Å; D104-H149 IonicContact OD2-NE2 3.93Å; S107-H149 WeakPolarHBondContact CB-CD2 3.23Å; S107-H149 WeakPolarHBondContact CB-NE2 3.4Å; V109-H149 HydrophobicContact CG2-CB 4.3Å; V143-H149 HydrophobicContact CG1-CB 4.18Å; R144-H149 WeakPolarHBondContact CA-O 3.49Å; L147-H149 HydrophobicContact CB-CB 4.39Å; L147-H149 PolarHBondContact O-N 3.43Å; H149-S151 WeakPolarHBondContact CE1-CB 3.3Å; H149-S151 PolarHBondContact CE1-OG 2.98Å; H149-S151 PolarHBondContact NE2-OG 3.42Å | ||
| 150 | E | 79.3 | Confident | 86.9 | Confident | 127 Ų | 127 | 54.8 Ų | 54.8 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | trans | -117.3 | 112.3 | 178 | -173.4 | 166.5 | -165.5 | 0 | 0 | 108.6 | R144 | R144-E150 IonicContact CZ-OE1 2.99Å; R144-E150 IonicContact CZ-OE2 3.93Å; R144-E150 VanDerWaalsContact NH1-CD 3.26Å; R144-E150 IonicContact NH1-OE1 2.7Å; R144-E150 PolarHBondContact NH1-OE1 3.04Å; R144-E150 IonicContact NH1-OE2 3.55Å; R144-E150 IonicContact NH2-OE1 2.78Å; R144-E150 PolarHBondContact NH2-OE1 3.24Å | ||
| 151 | S | 77.4 | Confident | 87.3 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | trans | -155.3 | 142 | 176.3 | -83.6 | 0 | 0 | 0 | 0 | 111.6 | H149 H153 | H149-S151 WeakPolarHBondContact CE1-CB 3.3Å; H149-S151 PolarHBondContact CE1-OG 2.98Å; H149-S151 PolarHBondContact NE2-OG 3.42Å; S151-H153 PolarHBondContact O-N 2.89Å | ||
| 152 | D | 78 | Confident | 87.7 | Confident | 155 Ų | 155 | 50.7 Ų | 50.7 | 83% | 0.829 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -85.5 | 1 | 178.6 | -60.5 | -29.6 | 0 | 0 | 0 | 112.7 | ||
| 153 | H | 84.9 | Confident | 88.1 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | trans | -115.7 | 26.1 | -168.7 | -66.6 | -35.1 | 0 | 0 | 0 | 113.5 | T101 S151 | T101-H153 PolarHBondContact N-O 3.49Å; T101-H153 WeakPolarHBondContact OG1-CB 3.45Å; T101-H153 PolarHBondContact OG1-O 3.41Å; T101-H153 VanDerWaalsContact OG1-O 3.07Å; S151-H153 PolarHBondContact O-N 2.89Å | ||
| 154 | L | 88.3 | Confident | 88.4 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140 | 179.9 | -66.3 | 168.2 | 0 | 0 | 0 | 111.5 | V99 E100 V109 L135 V143 | V99-L154 WeakPolarHBondContact O-CA 3.33Å; E100-L154 HydrophobicContact CG-CD2 3.65Å; V109-L154 HydrophobicContact CG1-CD2 4.06Å; L135-L154 HydrophobicContact CD1-CB 3.91Å; L135-L154 WeakPolarHBondContact CD1-O 3.28Å; L135-L154 HydrophobicContact CD2-CB 3.97Å; L135-L154 HydrophobicContact CD2-CD1 4.28Å; V143-L154 HydrophobicContact CB-CD1 4.35Å; V143-L154 HydrophobicContact CG1-CD1 3.71Å; V143-L154 HydrophobicContact CG2-CD1 4.46Å |
| 155 | L | 92.4 | Very high | 88.3 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145 | 171 | -66.3 | 174.9 | 0 | 0 | 0 | 109.2 | P98 V99 T101 L135 | P98-L155 WeakPolarHBondContact CA-O 3.22Å; V99-L155 WeakPolarHBondContact CG2-O 3.49Å; V99-L155 PolarHBondContact N-O 2.87Å; V99-L155 PolarHBondContact O-N 2.81Å; T101-L155 HydrophobicContact CG2-CD1 3.43Å; T101-L155 VanDerWaalsContact CG2-CD1 3.43Å; T101-L155 HydrophobicContact CG2-CG 3.99Å; L135-L155 VanDerWaalsContact CD1-C 3.47Å; L135-L155 VanDerWaalsContact CD1-CA 3.44Å |
| 156 | F | 93 | Very high | 88 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133.9 | 164.1 | -85.5 | -64.9 | 0 | 0 | 0 | 109.5 | S71 T72 K96 P98 R132 E133 L135 E139 | S71-F156 WeakPolarHBondContact O-CE1 3.3Å; S71-F156 WeakPolarHBondContact O-CZ 3.29Å; T72-F156 HydrophobicContact CG2-CZ 4Å; K96-F156 HydrophobicContact CD-CB 4.35Å; K96-F156 HydrophobicContact CD-CD1 4.05Å; K96-F156 HydrophobicContact CD-CG 4.21Å; K96-F156 HydrophobicContact CG-CB 4.28Å; K96-F156 HydrophobicContact CG-CD1 3.76Å; K96-F156 HydrophobicContact CG-CE1 4.44Å; K96-F156 HydrophobicContact CG-CG 4.26Å; P98-F156 HydrophobicContact CB-CD1 4.18Å; P98-F156 HydrophobicContact CB-CE1 3.94Å; P98-F156 HydrophobicContact CB-CZ 4.46Å; P98-F156 HydrophobicContact CG-CE1 4.17Å; R132-F156 CarbonylContact C-O 3.53Å; R132-F156 VanDerWaalsContact CA-O 3.25Å; R132-F156 WeakPolarHBondContact CA-O 3.43Å; E133-F156 HydrophobicContact CB-CB 4.32Å; E133-F156 PolarHBondContact N-O 2.9Å; E133-F156 PolarHBondContact O-N 3.33Å; L135-F156 HydrophobicContact CB-CE2 4.47Å; L135-F156 HydrophobicContact CD1-CD2 3.91Å; L135-F156 HydrophobicContact CD1-CE2 4.29Å; L135-F156 HydrophobicContact CD1-CG 4.39Å; L135-F156 HydrophobicContact CD2-CE2 4.29Å; L135-F156 HydrophobicContact CG-CD2 3.71Å; L135-F156 HydrophobicContact CG-CE2 3.62Å; L135-F156 HydrophobicContact CG-CZ 4.45Å; E139-F156 HydrophobicContact CB-CE2 4.07Å; E139-F156 VanDerWaalsContact CD-CE2 3.46Å; E139-F156 HydrophobicContact CG-CE2 4.15Å; E139-F156 WeakPolarHBondContact OE2-CE2 3.47Å |
| 157 | V | 94.5 | Very high | 87.5 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.7 | 171.3 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | E97 V99 A112 E129 R132 I159 | E97-V157 PolarHBondContact N-O 3.33Å; E97-V157 PolarHBondContact O-N 3.49Å; V99-V157 HydrophobicContact CG2-CB 3.93Å; V99-V157 HydrophobicContact CG2-CG2 3.27Å; A112-V157 HydrophobicContact CB-CG2 4.38Å; E129-V157 HydrophobicContact CG-CG1 3.36Å; R132-V157 HydrophobicContact CG-CG2 4Å; V157-I159 HydrophobicContact CG1-CD1 4.12Å; V157-I159 HydrophobicContact CG1-CG1 3.76Å |
| 158 | Q | 95.3 | Very high | 86.7 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.3 | 173.8 | -172.1 | -179.1 | -7.5 | 0 | 0 | 109.3 | L67 L95 L130 Q131 | L67-Q158 HydrophobicContact CD2-CG 4.34Å; L95-Q158 CarbonylContact O-C 3.58Å; L95-Q158 VanDerWaalsContact O-CA 3.29Å; L95-Q158 WeakPolarHBondContact O-CA 3.09Å; L130-Q158 HydrophobicContact CB-CB 4.49Å; L130-Q158 HydrophobicContact CB-CG 4.4Å; L130-Q158 HydrophobicContact CD1-CG 4.41Å; L130-Q158 PolarHBondContact N-O 3.18Å; Q131-Q158 HydrophobicContact CB-CB 4.26Å; Q131-Q158 PolarHBondContact N-O 3.08Å; Q131-Q158 PolarHBondContact O-N 2.83Å |
| 159 | I | 95.2 | Very high | 86 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.3 | -178.2 | -55.5 | 173.9 | 0 | 0 | 0 | 108.7 | L95 L115 L119 V127 K128 E129 V157 | L95-I159 PolarHBondContact N-O 2.81Å; L95-I159 PolarHBondContact O-N 2.62Å; L115-I159 HydrophobicContact CB-CD1 4.12Å; L115-I159 HydrophobicContact CD2-CD1 3.45Å; L115-I159 VanDerWaalsContact CD2-CD1 3.45Å; L115-I159 HydrophobicContact CD2-CG1 4.5Å; L115-I159 HydrophobicContact CG-CD1 3.59Å; L119-I159 HydrophobicContact CD2-CB 4.45Å; L119-I159 HydrophobicContact CD2-CG2 3.8Å; V127-I159 HydrophobicContact CG1-CG2 3.58Å; K128-I159 CarbonylContact O-C 3.56Å; K128-I159 WeakPolarHBondContact O-CA 3.2Å; K128-I159 WeakPolarHBondContact O-CG2 3.48Å; E129-I159 HydrophobicContact CG-CG1 4.42Å; V157-I159 HydrophobicContact CG1-CD1 4.12Å; V157-I159 HydrophobicContact CG1-CG1 3.76Å |
| 160 | T | 95.8 | Very high | 85.2 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.2 | 169 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | L93 V127 K128 L130 | L93-T160 WeakPolarHBondContact O-CA 3.16Å; L93-T160 WeakPolarHBondContact O-CB 3.43Å; L93-T160 PolarHBondContact O-OG1 2.75Å; V127-T160 CarbonylContact C-O 3.59Å; V127-T160 VanDerWaalsContact CA-O 3.26Å; V127-T160 WeakPolarHBondContact CA-O 3.3Å; K128-T160 HydrophobicContact CB-CG2 3.96Å; K128-T160 PolarHBondContact N-O 3.06Å; K128-T160 PolarHBondContact O-N 2.66Å; L130-T160 HydrophobicContact CD1-CG2 4.02Å; L130-T160 HydrophobicContact CD2-CG2 3.78Å; L130-T160 HydrophobicContact CG-CG2 3.89Å |
| 161 | G | 95.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | L93 | L93-G161 PolarHBondContact N-O 3.39Å; L93-G161 PolarHBondContact O-N 3.38Å; L93-G161 VanDerWaalsContact O-N 3.13Å |
| 162 | K | 95.1 | Very high | 84.3 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 139.4 | -179.7 | 177.9 | 175 | -79 | 162.4 | 0 | 110.1 | G91 V125 E126 | G91-K162 WeakPolarHBondContact O-CA 3.44Å; G91-K162 WeakPolarHBondContact O-CG 3.45Å; V125-K162 VanDerWaalsContact CG2-O 3.29Å; V125-K162 WeakPolarHBondContact CG2-O 3.32Å; V125-K162 PolarHBondContact N-O 2.96Å; V125-K162 PolarHBondContact O-N 2.85Å; E126-K162 IonicContact OE2-NZ 3.64Å |
| 163 | K | 95.1 | Very high | 83.8 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 7% | 0.074 | 38% | 0.377 | C | S | . | . | trans | -72.4 | 128 | 170.3 | -170.8 | 177.7 | -177 | 171.2 | 0 | 109.1 | S58 A84 R85 L87 G90 G91 L124 | S58-K163 PolarHBondContact OG-NZ 2.71Å; A84-K163 VanDerWaalsContact O-CD 3.23Å; A84-K163 WeakPolarHBondContact O-CD 3.44Å; A84-K163 WeakPolarHBondContact O-CE 3.44Å; A84-K163 PolarHBondContact O-NZ 3.08Å; R85-K163 PolarHBondContact O-NZ 3.49Å; R85-K163 VanDerWaalsContact O-NZ 3.1Å; L87-K163 HydrophobicContact CB-CB 4.27Å; L87-K163 HydrophobicContact CB-CD 4.05Å; L87-K163 WeakPolarHBondContact O-CD 3.42Å; L87-K163 WeakPolarHBondContact O-CE 3.49Å; L87-K163 PolarHBondContact O-NZ 2.87Å; G90-K163 WeakPolarHBondContact CA-O 3.43Å; G90-K163 PolarHBondContact N-O 3Å; G91-K163 PolarHBondContact O-N 2.65Å; L124-K163 HydrophobicContact CD2-CB 4.37Å | ||
| 164 | P | 92.3 | Very high | 83 | Confident | 19 Ų | 19 | 67.2 Ų | 67.2 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | trans | -62.2 | 162.3 | 177.6 | 26.5 | -34.2 | 0 | 0 | 0 | 111.8 | G123 V125 F166 | G123-P164 WeakPolarHBondContact O-CD 3.46Å; V125-P164 HydrophobicContact CG1-CB 4.01Å; V125-P164 HydrophobicContact CG1-CG 4.18Å; V125-P164 HydrophobicContact CG2-CB 3.96Å; P164-F166 HydrophobicContact CB-CD1 3.83Å; P164-F166 HydrophobicContact CB-CE1 3.6Å; P164-F166 HydrophobicContact CB-CZ 4.3Å; P164-F166 HydrophobicContact CG-CD1 4.35Å; P164-F166 HydrophobicContact CG-CE1 3.98Å; P164-F166 HydrophobicContact CG-CZ 4.18Å; P164-F166 PolarHBondContact O-N 2.84Å; P164-F166 VanDerWaalsContact O-N 3.08Å | ||
| 165 | N | 86.5 | Confident | 81.8 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 75% | 0.749 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -76.2 | 13.9 | -178 | -77.6 | -20.1 | 0 | 0 | 0 | 114.6 | G90 | G90-N165 PolarHBondContact N-OD1 2.88Š|
| 166 | F | 80 | Confident | 80.2 | Confident | 138 Ų | 138 | 80 Ų | 80 | 61% | 0.605 | 45% | 0.446 | S | S | * | . | trans | -129.8 | 140.3 | 177.6 | 67 | -90 | 0 | 0 | 0 | 109.9 | P164 | P164-F166 HydrophobicContact CB-CD1 3.83Å; P164-F166 HydrophobicContact CB-CE1 3.6Å; P164-F166 HydrophobicContact CB-CZ 4.3Å; P164-F166 HydrophobicContact CG-CD1 4.35Å; P164-F166 HydrophobicContact CG-CE1 3.98Å; P164-F166 HydrophobicContact CG-CZ 4.18Å; P164-F166 PolarHBondContact O-N 2.84Å; P164-F166 VanDerWaalsContact O-N 3.08Å | ||
| 167 | E | 72.9 | Confident | 78.3 | Confident | 66 Ų | 66 | 85.5 Ų | 85.5 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | trans | -98.5 | 156.5 | 176.6 | -68.1 | 177.4 | 161.5 | 0 | 0 | 110 | S58 P89 G169 S170 | S58-E167 PolarHBondContact OG-OE1 2.81Å; P89-E167 HydrophobicContact CG-CG 4.15Å; E167-G169 PolarHBondContact O-N 2.84Å; E167-S170 PolarHBondContact N-OG 2.92Å; E167-S170 WeakPolarHBondContact O-CB 3.44Å; E167-S170 PolarHBondContact O-N 3.2Å; E167-S170 PolarHBondContact O-OG 3.07Å | ||
| 168 | V | 66.1 | Low | 76.5 | Confident | 156 Ų | 156 | 92 Ų | 92 | 95% | 0.945 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.3 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 169 | G | 67.3 | Low | 74 | Confident | 77 Ų | 77 | 97.3 Ų | 97.3 | 79% | 0.794 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.9 | -5.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | E167 S171 | E167-G169 PolarHBondContact O-N 2.84Å; G169-S171 PolarHBondContact O-N 2.81Å; G169-S171 VanDerWaalsContact O-N 3.14Å |
| 170 | S | 64.8 | Low | 71.4 | Confident | 67 Ų | 67 | 107.2 Ų | 107.2 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | trans | -68.8 | 108.1 | 169.6 | -65 | 0 | 0 | 0 | 0 | 110.1 | E167 | E167-S170 PolarHBondContact N-OG 2.92Å; E167-S170 WeakPolarHBondContact O-CB 3.44Å; E167-S170 PolarHBondContact O-N 3.2Å; E167-S170 PolarHBondContact O-OG 3.07Å | ||
| 171 | S | 71.3 | Confident | 68.6 | Low | 120 Ų | 120 | 116.1 Ų | 116.1 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | trans | -90.6 | 124.4 | 169.4 | 63.2 | 0 | 0 | 0 | 0 | 109.6 | G169 | G169-S171 PolarHBondContact O-N 2.81Å; G169-S171 VanDerWaalsContact O-N 3.14Å | ||
| 172 | S | 65.9 | Low | 66 | Low | 102 Ų | 102 | 121.7 Ų | 121.7 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | trans | -111.9 | 120.4 | 168.4 | 40.2 | 0 | 0 | 0 | 0 | 107.8 | L174 | S172-L174 PolarHBondContact O-N 2.94Š| ||
| 173 | Q | 68.1 | Low | 63.2 | Low | 189 Ų | 189 | 123.7 Ų | 123.7 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -62.9 | 111.9 | 173.1 | -79.5 | -179.1 | -16.8 | 0 | 0 | 107.9 | K175 | Q173-K175 PolarHBondContact O-N 3.16Š| ||
| 174 | L | 68.2 | Low | 60.6 | Low | 145 Ų | 145 | 128.4 Ų | 128.4 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -56.6 | 113.7 | 170.1 | -65.7 | 172.7 | 0 | 0 | 0 | 107.2 | S172 L176 | S172-L174 PolarHBondContact O-N 2.94Å; L174-L176 HydrophobicContact CB-CG 4.22Å; L174-L176 PolarHBondContact O-N 3.26Å | ||
| 175 | K | 63.1 | Low | 58.4 | Low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -71.4 | 71.2 | 166.8 | -78.3 | -179.3 | -178.1 | 169.1 | 0 | 107.8 | Q173 S177 | Q173-K175 PolarHBondContact O-N 3.16Å; K175-S177 PolarHBondContact O-N 3.48Å | ||
| 176 | L | 59.1 | Low | 56.1 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | -62.7 | 106.9 | 160.9 | -66.2 | 171.6 | 0 | 0 | 0 | 105 | L174 I178 | L174-L176 HydrophobicContact CB-CG 4.22Å; L174-L176 PolarHBondContact O-N 3.26Å; L176-I178 HydrophobicContact CB-CD1 4.29Å; L176-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 PolarHBondContact O-N 3.36Å | ||
| 177 | S | 52.2 | Low | 54.4 | Low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -70 | 58.9 | 173.1 | 38.6 | 0 | 0 | 0 | 0 | 110 | K175 T179 | K175-S177 PolarHBondContact O-N 3.48Å; S177-T179 PolarHBondContact O-N 3.49Å | ||
| 178 | I | 56.2 | Low | 53 | Low | 138 Ų | 138 | 137.9 Ų | 137.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -72 | 110.3 | 159.1 | -61.1 | 165 | 0 | 0 | 0 | 104.4 | L176 K180 | L176-I178 HydrophobicContact CB-CD1 4.29Å; L176-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 PolarHBondContact O-N 3.36Å; I178-K180 PolarHBondContact O-N 2.87Å; I178-K180 VanDerWaalsContact O-N 3.1Å | ||
| 179 | T | 42.8 | Very low | 52 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -41.5 | 115.5 | 178.2 | 36.8 | 0 | 0 | 0 | 0 | 111.1 | S177 K181 | S177-T179 PolarHBondContact O-N 3.49Å; T179-K181 PolarHBondContact O-N 3.16Å | ||
| 180 | K | 42.3 | Very low | 51.4 | Low | 207 Ų | 207 | 137.2 Ų | 137.2 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 124.1 | 177.4 | -82.7 | 174.9 | 171.9 | 174.8 | 0 | 111.5 | I178 | I178-K180 PolarHBondContact O-N 2.87Å; I178-K180 VanDerWaalsContact O-N 3.1Å |
| 181 | K | 36.3 | Very low | 50.5 | Low | 207 Ų | 207 | 138.8 Ų | 138.8 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 125.3 | 133.6 | -110.2 | 176.9 | -178.8 | 175.7 | 0 | 107.6 | T179 | T179-K181 PolarHBondContact O-N 3.16Š|
| 182 | S | 41.6 | Very low | 49.9 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 121.3 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 112 | ||
| 183 | S | 34.6 | Very low | 49.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -152.9 | 153.6 | 151.8 | 58.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 184 | P | 41.3 | Very low | 48.8 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -77.7 | 153.8 | -153.2 | 28.3 | -29.7 | 0 | 0 | 0 | 113.7 | V186 | P184-V186 PolarHBondContact O-N 3.03Š| ||
| 185 | S | 45.3 | Very low | 48.1 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -52.9 | 100.1 | 175.5 | 49.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 186 | V | 39.9 | Very low | 47.8 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | -119.3 | 114.4 | 153 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | P184 P188 | P184-V186 PolarHBondContact O-N 3.03Å; V186-P188 WeakPolarHBondContact O-CD 3.45Å | ||
| 187 | K | 42.9 | Very low | 47.3 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -59.8 | 125.3 | 174.2 | -61.6 | 173.2 | 178.5 | 179.1 | 0 | 108.1 | A189 | K187-A189 PolarHBondContact O-N 3.42Å; K187-A189 VanDerWaalsContact O-N 3.13Å | ||
| 188 | P | 43 | Very low | 47.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -70.2 | 105.9 | 159 | -9 | 25.5 | 0 | 0 | 0 | 106.6 | V186 V190 | V186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-V190 PolarHBondContact O-N 2.89Å | ||
| 189 | A | 46.3 | Very low | 47.4 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -67.7 | 109.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107 | K187 | K187-A189 PolarHBondContact O-N 3.42Å; K187-A189 VanDerWaalsContact O-N 3.13Å | ||
| 190 | V | 53.4 | Low | 47.6 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | trans | -72.5 | 126.5 | 170.5 | -159.7 | 0 | 0 | 0 | 0 | 106.6 | P188 | P188-V190 PolarHBondContact O-N 2.89Š| ||
| 191 | D | 47.1 | Very low | 48 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 54% | 0.54 | 71% | 0.706 | S | S | . | * | trans | -56.2 | 125.7 | -179.2 | -164.8 | -38.5 | 0 | 0 | 0 | 109.9 | A193 A194 A195 | D191-A193 PolarHBondContact O-N 3.35Å; D191-A193 WeakPolarHBondContact OD1-CB 3.44Å; D191-A193 PolarHBondContact OD1-N 2.89Å; D191-A194 HydrophobicContact CB-CB 4.46Å; D191-A194 PolarHBondContact O-N 3.35Å; D191-A195 PolarHBondContact O-N 3.38Å | ||
| 192 | P | 57.8 | Low | 48.7 | Very low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -60.5 | -17.1 | 179.8 | 24 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 193 | A | 55.7 | Low | 49.2 | Very low | 58 Ų | 58 | 118.4 Ų | 118.4 | 48% | 0.479 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -74.2 | -32.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | D191 K196 | D191-A193 PolarHBondContact O-N 3.35Å; D191-A193 WeakPolarHBondContact OD1-CB 3.44Å; D191-A193 PolarHBondContact OD1-N 2.89Å; A193-K196 PolarHBondContact O-N 3.23Å |
| 194 | A | 55.6 | Low | 49.9 | Very low | 39 Ų | 39 | 117 Ų | 117 | 32% | 0.322 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74.6 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | D191 K196 L197 W198 | D191-A194 HydrophobicContact CB-CB 4.46Å; D191-A194 PolarHBondContact O-N 3.35Å; A194-K196 VanDerWaalsContact C-N 3.29Å; A194-K196 PolarHBondContact O-N 3.08Å; A194-L197 PolarHBondContact O-N 3.05Å; A194-W198 PolarHBondContact O-N 3.27Å |
| 195 | A | 54.4 | Low | 50.3 | Low | 53 Ų | 53 | 120 Ų | 120 | 44% | 0.438 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -64.7 | -32.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D191 L197 T199 | D191-A195 PolarHBondContact O-N 3.38Å; A195-L197 VanDerWaalsContact C-N 3.35Å; A195-T199 WeakPolarHBondContact O-CB 3.44Å; A195-T199 PolarHBondContact O-N 3.35Å; A195-T199 PolarHBondContact O-OG1 2.94Å |
| 196 | K | 56.7 | Low | 50.6 | Low | 180 Ų | 180 | 123.1 Ų | 123.1 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.4 | -19.8 | 176.3 | -88.6 | -175.4 | 173.7 | -174.9 | 0 | 114.5 | A193 A194 | A193-K196 PolarHBondContact O-N 3.23Å; A194-K196 VanDerWaalsContact C-N 3.29Å; A194-K196 PolarHBondContact O-N 3.08Å |
| 197 | L | 48.2 | Very low | 51.1 | Low | 146 Ų | 146 | 121 Ų | 121 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -84.5 | -20.6 | 176.2 | -75.7 | 160.4 | 0 | 0 | 0 | 112.8 | A194 A195 | A194-L197 PolarHBondContact O-N 3.05Å; A195-L197 VanDerWaalsContact C-N 3.35Å |
| 198 | W | 56.9 | Low | 51.7 | Low | 227 Ų | 227 | 120.3 Ų | 120.3 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -107.6 | -4.1 | -178.1 | -69.6 | 65 | 0 | 0 | 0 | 113.1 | A194 L200 | A194-W198 PolarHBondContact O-N 3.27Å; W198-L200 PolarHBondContact O-N 3.35Å |
| 199 | T | 52.9 | Low | 52.3 | Low | 92 Ų | 92 | 118.8 Ų | 118.8 | 56% | 0.564 | 67% | 0.673 | S | S | * | * | trans | -94.6 | 90.2 | 173.1 | -49.1 | 0 | 0 | 0 | 0 | 108.2 | A195 S201 | A195-T199 WeakPolarHBondContact O-CB 3.44Å; A195-T199 PolarHBondContact O-N 3.35Å; A195-T199 PolarHBondContact O-OG1 2.94Å; T199-S201 PolarHBondContact O-N 2.76Å | ||
| 200 | L | 47.8 | Very low | 52.8 | Low | 157 Ų | 157 | 119 Ų | 119 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -58.8 | 108.3 | 160.5 | -70.6 | 169.3 | 0 | 0 | 0 | 106.8 | W198 A202 | W198-L200 PolarHBondContact O-N 3.35Å; L200-A202 PolarHBondContact O-N 3.21Å | ||
| 201 | S | 49.2 | Very low | 53.2 | Low | 78 Ų | 78 | 120.5 Ų | 120.5 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | trans | -63.5 | 129.7 | 174.2 | -68.3 | 0 | 0 | 0 | 0 | 107.8 | T199 N203 D204 | T199-S201 PolarHBondContact O-N 2.76Å; S201-N203 PolarHBondContact O-N 3.44Å; S201-D204 WeakPolarHBondContact O-CB 3.33Å; S201-D204 PolarHBondContact O-N 2.89Å | ||
| 202 | A | 51.4 | Low | 54.2 | Low | 98 Ų | 98 | 123.9 Ų | 123.9 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -5.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L200 | L200-A202 PolarHBondContact O-N 3.21Š|
| 203 | N | 52.1 | Low | 55 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 2.5 | 177.4 | -139 | 89.4 | 0 | 0 | 0 | 113.7 | S201 | S201-N203 PolarHBondContact O-N 3.44Š|
| 204 | D | 49 | Very low | 55.9 | Low | 79 Ų | 79 | 126.6 Ų | 126.6 | 42% | 0.422 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -105.4 | 4.7 | -179.3 | -151 | 36.4 | 0 | 0 | 0 | 112.5 | S201 M210 | S201-D204 WeakPolarHBondContact O-CB 3.33Å; S201-D204 PolarHBondContact O-N 2.89Å; D204-M210 WeakPolarHBondContact OD1-CE 3.37Å; D204-M210 WeakPolarHBondContact OD2-CE 3.46Å |
| 205 | M | 51.1 | Low | 56.7 | Low | 178 Ų | 178 | 129 Ų | 129 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -93.1 | 1.6 | 178.3 | -80.6 | -83.9 | -155.4 | 0 | 0 | 113.4 | ||
| 206 | E | 51.8 | Low | 57.5 | Low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -112.7 | 17 | -177.3 | -156 | 176.5 | -153.5 | 0 | 0 | 112.8 | ||
| 207 | D | 49.2 | Very low | 58.7 | Low | 84 Ų | 84 | 131.6 Ų | 131.6 | 45% | 0.449 | 70% | 0.703 | S | S | . | * | trans | -106 | 98.3 | 170.5 | -164.7 | -0.6 | 0 | 0 | 0 | 109.6 | S209 M210 | D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.12Å; D207-S209 PolarHBondContact OD1-OG 2.98Å; D207-S209 PolarHBondContact OD2-OG 3.4Å; D207-M210 PolarHBondContact O-N 3Å; D207-M210 VanDerWaalsContact O-N 3.12Å | ||
| 208 | D | 56.7 | Low | 60.1 | Low | 179 Ų | 179 | 130.6 Ų | 130.6 | 96% | 0.957 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | 2.8 | 170.2 | -85.6 | -30.6 | 0 | 0 | 0 | 112.9 | ||
| 209 | S | 55.3 | Low | 61.3 | Low | 87 Ų | 87 | 123.4 Ų | 123.4 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | 2.7 | 173.4 | 79 | 0 | 0 | 0 | 0 | 115.3 | D207 D211 | D207-S209 PolarHBondContact O-N 2.85Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.21Å; D207-S209 PolarHBondContact OD1-N 2.7Å; D207-S209 VanDerWaalsContact OD1-N 3.12Å; D207-S209 PolarHBondContact OD1-OG 2.98Å; D207-S209 PolarHBondContact OD2-OG 3.4Å; S209-D211 PolarHBondContact O-N 3.46Å |
| 210 | M | 55.7 | Low | 62.7 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 51% | 0.512 | 68% | 0.676 | S | S | . | * | trans | -86.6 | 85.8 | 165.8 | -66.1 | -151.2 | 179.1 | 0 | 0 | 110.6 | D204 D207 L212 | D204-M210 WeakPolarHBondContact OD1-CE 3.37Å; D204-M210 WeakPolarHBondContact OD2-CE 3.46Å; D207-M210 PolarHBondContact O-N 3Å; D207-M210 VanDerWaalsContact O-N 3.12Å; M210-L212 PolarHBondContact O-N 3.03Å | ||
| 211 | D | 62.7 | Low | 64.1 | Low | 150 Ų | 150 | 121.4 Ų | 121.4 | 80% | 0.802 | 67% | 0.668 | S | S | * | * | trans | -53.3 | 111.3 | 163.6 | -89.3 | -33.3 | 0 | 0 | 0 | 108.2 | S209 I213 | S209-D211 PolarHBondContact O-N 3.46Å; D211-I213 PolarHBondContact O-N 3.03Å | ||
| 212 | L | 68.6 | Low | 65.3 | Low | 172 Ų | 172 | 124.3 Ų | 124.3 | 90% | 0.901 | 67% | 0.673 | S | S | * | * | trans | -56.5 | 105.1 | 172.6 | -72.4 | 169.3 | 0 | 0 | 0 | 107.5 | M210 D214 | M210-L212 PolarHBondContact O-N 3.03Å; L212-D214 PolarHBondContact O-N 2.84Å | ||
| 213 | I | 73.9 | Confident | 66.7 | Low | 131 Ų | 131 | 124.8 Ų | 124.8 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | trans | -58.4 | 115 | -179 | -61.5 | 161.8 | 0 | 0 | 0 | 107.8 | D211 S215 L218 | D211-I213 PolarHBondContact O-N 3.03Å; I213-S215 PolarHBondContact O-N 3.21Å; I213-L218 HydrophobicContact CG2-CD1 3.73Å; I213-L218 HydrophobicContact CG2-CD2 4.11Å; I213-L218 HydrophobicContact CG2-CG 3.9Å | ||
| 214 | D | 74.5 | Confident | 67.9 | Low | 89 Ų | 89 | 123.5 Ų | 123.5 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | trans | -64.8 | 120 | 177.6 | -172.6 | -0.3 | 0 | 0 | 0 | 108.9 | L212 D216 E217 | L212-D214 PolarHBondContact O-N 2.84Å; D214-D216 PolarHBondContact O-N 3.06Å; D214-D216 PolarHBondContact OD1-N 2.89Å; D214-E217 HydrophobicContact CB-CB 4.18Å; D214-E217 PolarHBondContact O-N 2.99Å; D214-E217 VanDerWaalsContact O-N 3.16Å | ||
| 215 | S | 72.1 | Confident | 69.5 | Low | 89 Ų | 89 | 126.1 Ų | 126.1 | 62% | 0.622 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -22.5 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | I213 | I213-S215 PolarHBondContact O-N 3.21Š|
| 216 | D | 72 | Confident | 70.8 | Confident | 122 Ų | 122 | 126.9 Ų | 126.9 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -24.1 | 176.4 | -75.9 | -16.7 | 0 | 0 | 0 | 112.5 | D214 L218 | D214-D216 PolarHBondContact O-N 3.06Å; D214-D216 PolarHBondContact OD1-N 2.89Å; D216-L218 VanDerWaalsContact C-N 3.34Å |
| 217 | E | 81.1 | Confident | 72 | Confident | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -21.1 | 175.6 | -172.3 | 165.1 | -171.7 | 0 | 0 | 112.6 | D214 L219 | D214-E217 HydrophobicContact CB-CB 4.18Å; D214-E217 PolarHBondContact O-N 2.99Å; D214-E217 VanDerWaalsContact O-N 3.16Å; E217-L219 VanDerWaalsContact C-N 3.3Å |
| 218 | L | 77.6 | Confident | 73.3 | Confident | 124 Ų | 124 | 122.9 Ų | 122.9 | 65% | 0.649 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -7.7 | 175.1 | -66.1 | 178.8 | 0 | 0 | 0 | 114.1 | I213 D216 | I213-L218 HydrophobicContact CG2-CD1 3.73Å; I213-L218 HydrophobicContact CG2-CD2 4.11Å; I213-L218 HydrophobicContact CG2-CG 3.9Å; D216-L218 VanDerWaalsContact C-N 3.34Å |
| 219 | L | 82.1 | Confident | 73.9 | Confident | 76 Ų | 76 | 118.8 Ų | 118.8 | 40% | 0.398 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -95.8 | 122.5 | 179.7 | -66.8 | 175.9 | 0 | 0 | 0 | 110.4 | E217 D223 L224 | E217-L219 VanDerWaalsContact C-N 3.3Å; L219-D223 HydrophobicContact CD2-CB 4.11Å; L219-L224 HydrophobicContact CD1-CD2 4.33Å |
| 220 | D | 82.1 | Confident | 74.5 | Confident | 108 Ų | 108 | 117.7 Ų | 117.7 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | trans | -72 | 155.3 | 173.7 | -77 | -43.2 | 0 | 0 | 0 | 110.3 | E222 D223 | D220-E222 PolarHBondContact O-N 3.24Å; D220-D223 PolarHBondContact N-OD2 2.95Å; D220-D223 PolarHBondContact O-N 3.14Å | ||
| 221 | P | 78 | Confident | 75.1 | Confident | 99 Ų | 99 | 117.3 Ų | 117.3 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -6.1 | 176.1 | 25.8 | -35.7 | 0 | 0 | 0 | 113.9 | K225 | P221-K225 WeakPolarHBondContact O-CE 3.38Š|
| 222 | E | 75 | Confident | 75 | Confident | 140 Ų | 140 | 116.1 Ų | 116.1 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -31.3 | 171.3 | -57 | -151.8 | 96.8 | 0 | 0 | 113 | D220 K225 | D220-E222 PolarHBondContact O-N 3.24Å; E222-K225 WeakPolarHBondContact O-CB 3.26Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 IonicContact OE1-NZ 2.63Å |
| 223 | D | 80.8 | Confident | 74.8 | Confident | 108 Ų | 108 | 117.2 Ų | 117.2 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -27.9 | 179 | -67.3 | -47.6 | 0 | 0 | 0 | 112.6 | L219 D220 K225 | L219-D223 HydrophobicContact CD2-CB 4.11Å; D220-D223 PolarHBondContact N-OD2 2.95Å; D220-D223 PolarHBondContact O-N 3.14Å; D223-K225 PolarHBondContact O-N 2.86Å |
| 224 | L | 77.6 | Confident | 74 | Confident | 122 Ų | 122 | 113.7 Ų | 113.7 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -12.3 | 174.5 | -63.7 | 175.3 | 0 | 0 | 0 | 113 | L219 K226 | L219-L224 HydrophobicContact CD1-CD2 4.33Å; L224-K226 PolarHBondContact O-N 2.67Å |
| 225 | K | 82.5 | Confident | 73.2 | Confident | 133 Ų | 133 | 116.9 Ų | 116.9 | 58% | 0.578 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -77.3 | 107.8 | 178.1 | -65.6 | 173.5 | -169.1 | 160.9 | 0 | 109.4 | P221 E222 D223 P227 | P221-K225 WeakPolarHBondContact O-CE 3.38Å; E222-K225 WeakPolarHBondContact O-CB 3.26Å; E222-K225 PolarHBondContact O-N 3.37Å; E222-K225 IonicContact OE1-NZ 2.63Å; D223-K225 PolarHBondContact O-N 2.86Å; K225-P227 WeakPolarHBondContact O-CD 3.24Å |
| 226 | K | 77.1 | Confident | 72.3 | Confident | 195 Ų | 195 | 118 Ų | 118 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 125.8 | 170.5 | -66.1 | -179.3 | -176.4 | 179.5 | 0 | 109.4 | L224 | L224-K226 PolarHBondContact O-N 2.67Š|
| 227 | P | 78.4 | Confident | 71.4 | Confident | 85 Ų | 85 | 117.1 Ų | 117.1 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.6 | 175.6 | -20.2 | 29.3 | 0 | 0 | 0 | 110.7 | K225 L232 | K225-P227 WeakPolarHBondContact O-CD 3.24Å; P227-L232 HydrophobicContact CB-CD1 4.12Å; P227-L232 HydrophobicContact CB-CD2 4.22Å; P227-L232 HydrophobicContact CB-CG 4.14Å |
| 228 | D | 76 | Confident | 69.9 | Low | 101 Ų | 101 | 112 Ų | 112 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 124.2 | 177.2 | 177.2 | 14.1 | 0 | 0 | 0 | 110.2 | A230 S231 L232 | D228-A230 PolarHBondContact O-N 3.37Å; D228-A230 PolarHBondContact OD1-N 3.04Å; D228-A230 VanDerWaalsContact OD1-N 3.16Å; D228-S231 WeakPolarHBondContact O-CB 3.37Å; D228-S231 PolarHBondContact O-N 3.18Å; D228-L232 PolarHBondContact O-N 3.46Å |
| 229 | P | 68.4 | Low | 68.8 | Low | 93 Ų | 93 | 116 Ų | 116 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -19.7 | 178.4 | 24 | -36.7 | 0 | 0 | 0 | 113.7 | ||
| 230 | A | 69.1 | Low | 67.6 | Low | 65 Ų | 65 | 116 Ų | 116 | 54% | 0.537 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -34.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D228 R233 | D228-A230 PolarHBondContact O-N 3.37Å; D228-A230 PolarHBondContact OD1-N 3.04Å; D228-A230 VanDerWaalsContact OD1-N 3.16Å; A230-R233 PolarHBondContact O-N 2.96Å |
| 231 | S | 67.3 | Low | 66.5 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 67% | 0.671 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -33.1 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 112.3 | D228 R233 | D228-S231 WeakPolarHBondContact O-CB 3.37Å; D228-S231 PolarHBondContact O-N 3.18Å; S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.41Å |
| 232 | L | 61.7 | Low | 65.8 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -9.1 | 177.6 | -64.6 | 176.9 | 0 | 0 | 0 | 113.7 | P227 D228 A234 | P227-L232 HydrophobicContact CB-CD1 4.12Å; P227-L232 HydrophobicContact CB-CD2 4.22Å; P227-L232 HydrophobicContact CB-CG 4.14Å; D228-L232 PolarHBondContact O-N 3.46Å; L232-A234 PolarHBondContact O-N 3.04Å |
| 233 | R | 64.4 | Low | 65.5 | Low | 194 Ų | 194 | 126.5 Ų | 126.5 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -79 | 108.4 | 171.1 | -72.6 | -177.2 | -173.6 | -166.7 | 3.4 | 108.4 | A230 S231 V235 | A230-R233 PolarHBondContact O-N 2.96Å; S231-R233 VanDerWaalsContact C-N 3.26Å; S231-R233 PolarHBondContact O-N 3.41Å; R233-V235 PolarHBondContact O-N 2.93Å; R233-V235 VanDerWaalsContact O-N 3.11Å |
| 234 | A | 56.1 | Low | 65.2 | Low | 58 Ų | 58 | 130.5 Ų | 130.5 | 48% | 0.479 | 71% | 0.706 | S | S | . | * | trans | -55.6 | 120.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | L232 S236 C237 | L232-A234 PolarHBondContact O-N 3.04Å; A234-S236 PolarHBondContact O-N 3.42Å; A234-C237 PolarHBondContact O-N 3.25Å | ||
| 235 | V | 57.4 | Low | 65.3 | Low | 155 Ų | 155 | 126.3 Ų | 126.3 | 94% | 0.939 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -14.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | R233 | R233-V235 PolarHBondContact O-N 2.93Å; R233-V235 VanDerWaalsContact O-N 3.11Å |
| 236 | S | 52.9 | Low | 65.2 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -3.8 | 177 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | A234 G238 | A234-S236 PolarHBondContact O-N 3.42Å; S236-G238 PolarHBondContact O-N 2.96Å |
| 237 | C | 54.4 | Low | 65.1 | Low | 102 Ų | 102 | 125.6 Ų | 125.6 | 69% | 0.689 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -98.5 | 70.7 | 176.9 | -136.7 | 0 | 0 | 0 | 0 | 110 | A234 E239 | A234-C237 PolarHBondContact O-N 3.25Å; C237-E239 PolarHBondContact O-N 2.97Å |
| 238 | G | 49.7 | Very low | 64.8 | Low | 59 Ų | 59 | 128.7 Ų | 128.7 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | trans | -52.4 | 133.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S236 G240 | S236-G238 PolarHBondContact O-N 2.96Å; G238-G240 PolarHBondContact O-N 3.28Å; G238-G240 VanDerWaalsContact O-N 3.14Å | ||
| 239 | E | 54.4 | Low | 65 | Low | 207 Ų | 207 | 125.5 Ų | 125.5 | 97% | 0.967 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 114.9 | 162 | -77.3 | 168.2 | 101.2 | 0 | 0 | 109.2 | C237 | C237-E239 PolarHBondContact O-N 2.97Š|
| 240 | G | 55.6 | Low | 65.4 | Low | 78 Ų | 78 | 127.9 Ų | 127.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.1 | -1.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118 | G238 | G238-G240 PolarHBondContact O-N 3.28Å; G238-G240 VanDerWaalsContact O-N 3.14Å |
| 241 | K | 59.3 | Low | 65.8 | Low | 198 Ų | 198 | 129.8 Ų | 129.8 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | trans | -116.7 | 110.6 | 171.7 | -74.6 | 179.1 | -178.2 | 172.1 | 0 | 111.4 | R243 | K241-R243 PolarHBondContact O-N 3.12Š| ||
| 242 | K | 63 | Low | 66.4 | Low | 163 Ų | 163 | 126.2 Ų | 126.2 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | -44.5 | 126.1 | 168.2 | -67.8 | -172.1 | 177.2 | -170 | 0 | 108.4 | K244 | K242-K244 PolarHBondContact O-N 2.95Š| ||
| 243 | R | 69.2 | Low | 67.4 | Low | 205 Ų | 205 | 123.5 Ų | 123.5 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125.3 | -177.7 | -66.7 | 178.8 | -179.6 | 174.6 | -1.1 | 108.5 | K241 L257 | K241-R243 PolarHBondContact O-N 3.12Å; R243-L257 VanDerWaalsContact O-CD1 3.27Å; R243-L257 WeakPolarHBondContact O-CD1 3.22Å |
| 244 | K | 75.1 | Confident | 68.2 | Low | 192 Ų | 192 | 115.7 Ų | 115.7 | 84% | 0.835 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 136 | 175.9 | -73 | -178.2 | 177.7 | 179.8 | 0 | 109 | K242 | K242-K244 PolarHBondContact O-N 2.95Š|
| 245 | A | 79.3 | Confident | 69.4 | Low | 34 Ų | 34 | 119.1 Ų | 119.1 | 28% | 0.281 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 142.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C249 A254 L257 | A245-C249 HydrophobicContact CB-CB 3.92Å; A245-A254 HydrophobicContact CB-CB 3.8Å; A245-L257 HydrophobicContact CB-CD1 4.4Å |
| 246 | C | 80.6 | Confident | 70.5 | Confident | 101 Ų | 101 | 117.7 Ų | 117.7 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 157.4 | 174.2 | -65.4 | 0 | 0 | 0 | 0 | 111 | N248 C249 | C246-N248 PolarHBondContact O-N 2.65Å; C246-C249 WeakPolarHBondContact O-CB 3.3Å; C246-C249 PolarHBondContact O-N 2.9Å; C246-C249 VanDerWaalsContact O-N 3.12Å |
| 247 | K | 75.3 | Confident | 71.8 | Confident | 212 Ų | 212 | 114.3 Ų | 114.3 | 92% | 0.922 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -14.4 | -173.3 | -148.4 | 167.9 | -176.2 | -179 | 0 | 114.9 | ||
| 248 | N | 71.6 | Confident | 72.8 | Confident | 150 Ų | 150 | 115.7 Ų | 115.7 | 80% | 0.802 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.1 | 55.3 | 172.2 | -68.4 | -45.6 | 0 | 0 | 0 | 110.1 | C246 T250 | C246-N248 PolarHBondContact O-N 2.65Å; N248-T250 PolarHBondContact O-N 3.12Å |
| 249 | C | 80.5 | Confident | 74 | Confident | 34 Ų | 34 | 120 Ų | 120 | 23% | 0.23 | 62% | 0.617 | C | S | . | * | trans | -68.9 | 111.1 | -176.5 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | A245 C246 C251 A254 | A245-C249 HydrophobicContact CB-CB 3.92Å; C246-C249 WeakPolarHBondContact O-CB 3.3Å; C246-C249 PolarHBondContact O-N 2.9Å; C246-C249 VanDerWaalsContact O-N 3.12Å; C249-C251 PolarHBondContact SG-SG 3.35Å; C249-A254 HydrophobicContact CB-CB 4.11Å | ||
| 250 | T | 75.4 | Confident | 74.9 | Confident | 143 Ų | 143 | 115.8 Ų | 115.8 | 88% | 0.877 | 60% | 0.598 | S | S | * | * | trans | -97.4 | -5 | 177.4 | 47 | 0 | 0 | 0 | 0 | 113.8 | N248 G252 | N248-T250 PolarHBondContact O-N 3.12Å; T250-G252 PolarHBondContact O-N 3.1Å | ||
| 251 | C | 79.3 | Confident | 75.5 | Confident | 105 Ų | 105 | 118.4 Ų | 118.4 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -90.8 | 14 | -176.7 | 65.2 | 0 | 0 | 0 | 0 | 114.7 | C249 L253 | C249-C251 PolarHBondContact SG-SG 3.35Å; C251-L253 VanDerWaalsContact C-N 3.25Å; C251-L253 PolarHBondContact O-N 3.41Å |
| 252 | G | 79.4 | Confident | 75.6 | Confident | 22 Ų | 22 | 111.8 Ų | 111.8 | 23% | 0.227 | 57% | 0.566 | C | S | . | * | S | Bend | trans | 79.6 | -11.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T250 A254 E255 E256 | T250-G252 PolarHBondContact O-N 3.1Å; G252-A254 PolarHBondContact O-N 2.74Å; G252-A254 VanDerWaalsContact O-N 3.17Å; G252-E255 WeakPolarHBondContact O-CB 3.18Å; G252-E255 PolarHBondContact O-N 3.04Å; G252-E256 PolarHBondContact O-N 2.91Å |
| 253 | L | 81.9 | Confident | 75.5 | Confident | 67 Ų | 67 | 114 Ų | 114 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.4 | -28.7 | -179.3 | -168.2 | 68.8 | 0 | 0 | 0 | 113.7 | C251 E255 L257 | C251-L253 VanDerWaalsContact C-N 3.25Å; C251-L253 PolarHBondContact O-N 3.41Å; L253-E255 VanDerWaalsContact C-N 3.34Å; L253-L257 HydrophobicContact CG-CD1 4.43Å; L253-L257 WeakPolarHBondContact O-CG 3.21Å; L253-L257 PolarHBondContact O-N 2.79Å |
| 254 | A | 82.1 | Confident | 75 | Confident | 31 Ų | 31 | 109.6 Ų | 109.6 | 26% | 0.256 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.7 | -40.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A245 C249 G252 L257 E258 | A245-A254 HydrophobicContact CB-CB 3.8Å; C249-A254 HydrophobicContact CB-CB 4.11Å; G252-A254 PolarHBondContact O-N 2.74Å; G252-A254 VanDerWaalsContact O-N 3.17Å; A254-L257 PolarHBondContact O-N 3.07Å; A254-E258 WeakPolarHBondContact O-CG 3.36Å; A254-E258 PolarHBondContact O-N 3.4Å |
| 255 | E | 81.8 | Confident | 74 | Confident | 129 Ų | 129 | 107.5 Ų | 107.5 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.1 | -36.1 | -175.8 | -61.1 | 167.3 | 161.8 | 0 | 0 | 111.3 | G252 L253 E258 K259 | G252-E255 WeakPolarHBondContact O-CB 3.18Å; G252-E255 PolarHBondContact O-N 3.04Å; L253-E255 VanDerWaalsContact C-N 3.34Å; E255-E258 PolarHBondContact O-N 2.93Å; E255-K259 WeakPolarHBondContact O-CG 3.35Å; E255-K259 PolarHBondContact O-N 3.15Å; E255-K259 VanDerWaalsContact O-N 3.13Å |
| 256 | E | 80.7 | Confident | 72.7 | Confident | 125 Ų | 125 | 114 Ų | 114 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -45.2 | 174.3 | -70.5 | -173.4 | 118.2 | 0 | 0 | 112 | G252 E258 K259 E260 | G252-E256 PolarHBondContact O-N 2.91Å; E256-E258 VanDerWaalsContact C-N 3.25Å; E256-E258 PolarHBondContact O-N 2.98Å; E256-K259 PolarHBondContact O-N 2.8Å; E256-E260 PolarHBondContact O-N 3.06Å; E256-E260 VanDerWaalsContact O-N 3.09Å |
| 257 | L | 78.4 | Confident | 71.4 | Confident | 43 Ų | 43 | 114 Ų | 114 | 23% | 0.225 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -65.4 | -26.3 | 178.8 | -70.2 | 172.2 | 0 | 0 | 0 | 113.2 | R243 A245 L253 A254 K261 | R243-L257 VanDerWaalsContact O-CD1 3.27Å; R243-L257 WeakPolarHBondContact O-CD1 3.22Å; A245-L257 HydrophobicContact CB-CD1 4.4Å; L253-L257 HydrophobicContact CG-CD1 4.43Å; L253-L257 WeakPolarHBondContact O-CG 3.21Å; L253-L257 PolarHBondContact O-N 2.79Å; A254-L257 PolarHBondContact O-N 3.07Å; L257-K261 WeakPolarHBondContact O-CG 3.19Å |
| 258 | E | 76.1 | Confident | 70.3 | Confident | 132 Ų | 132 | 108.2 Ų | 108.2 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.4 | -37 | 174.4 | -73.3 | -177.4 | 170.2 | 0 | 0 | 112.6 | A254 E255 E256 K261 S262 | A254-E258 WeakPolarHBondContact O-CG 3.36Å; A254-E258 PolarHBondContact O-N 3.4Å; E255-E258 PolarHBondContact O-N 2.93Å; E256-E258 VanDerWaalsContact C-N 3.25Å; E256-E258 PolarHBondContact O-N 2.98Å; E258-K261 PolarHBondContact O-N 2.95Å; E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 VanDerWaalsContact O-N 3.1Å; E258-S262 PolarHBondContact O-OG 2.63Å |
| 259 | K | 75.7 | Confident | 69.1 | Low | 149 Ų | 149 | 107.8 Ų | 107.8 | 65% | 0.648 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.2 | -38.9 | 174.6 | -77.9 | 175.4 | -178.5 | 171.5 | 0 | 112.3 | E255 E256 S262 R263 | E255-K259 WeakPolarHBondContact O-CG 3.35Å; E255-K259 PolarHBondContact O-N 3.15Å; E255-K259 VanDerWaalsContact O-N 3.13Å; E256-K259 PolarHBondContact O-N 2.8Å; K259-S262 PolarHBondContact O-OG 3.08Å; K259-R263 PolarHBondContact O-N 2.99Å |
| 260 | E | 72.4 | Confident | 67.8 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.7 | -42.9 | 175.8 | -71.2 | -175.1 | 158.1 | 0 | 0 | 112 | E256 S262 R263 E264 | E256-E260 PolarHBondContact O-N 3.06Å; E256-E260 VanDerWaalsContact O-N 3.09Å; E260-S262 PolarHBondContact O-N 3.39Å; E260-R263 PolarHBondContact O-N 2.89Å; E260-E264 PolarHBondContact O-N 2.91Å; E260-E264 VanDerWaalsContact O-N 3.13Å |
| 261 | K | 69.1 | Low | 66.5 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.6 | -40.2 | 178.5 | -73.6 | 174.1 | -175.6 | 173.4 | 0 | 113.2 | L257 E258 R263 E264 Q265 | L257-K261 WeakPolarHBondContact O-CG 3.19Å; E258-K261 PolarHBondContact O-N 2.95Å; K261-R263 VanDerWaalsContact C-N 3.33Å; K261-E264 PolarHBondContact O-N 3.17Å; K261-Q265 PolarHBondContact O-N 3.34Å; K261-Q265 VanDerWaalsContact O-N 3.15Å |
| 262 | S | 61.1 | Low | 65.3 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.4 | -34.2 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | E258 K259 E260 Q265 M266 | E258-S262 PolarHBondContact O-N 3.36Å; E258-S262 VanDerWaalsContact O-N 3.1Å; E258-S262 PolarHBondContact O-OG 2.63Å; K259-S262 PolarHBondContact O-OG 3.08Å; E260-S262 PolarHBondContact O-N 3.39Å; S262-Q265 PolarHBondContact O-N 3.43Å; S262-M266 PolarHBondContact O-N 3.32Å |
| 263 | R | 60.7 | Low | 64.1 | Low | 209 Ų | 209 | 118 Ų | 118 | 79% | 0.789 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69 | -36.1 | 176.2 | -155.4 | 174 | -173.2 | -179.5 | 1.6 | 112.8 | K259 E260 K261 | K259-R263 PolarHBondContact O-N 2.99Å; E260-R263 PolarHBondContact O-N 2.89Å; K261-R263 VanDerWaalsContact C-N 3.33Å |
| 264 | E | 58.7 | Low | 63 | Low | 112 Ų | 112 | 118.1 Ų | 118.1 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.9 | -31.2 | 174.2 | -72.3 | 176.1 | 163 | 0 | 0 | 112.5 | E260 K261 S267 | E260-E264 PolarHBondContact O-N 2.91Å; E260-E264 VanDerWaalsContact O-N 3.13Å; K261-E264 PolarHBondContact O-N 3.17Å; E264-S267 PolarHBondContact O-OG 3.03Å; E264-S267 VanDerWaalsContact O-OG 3.13Å |
| 265 | Q | 53.3 | Low | 62.2 | Low | 148 Ų | 148 | 117.8 Ų | 117.8 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.4 | -29.4 | 177.8 | -80.4 | -177.1 | -33.2 | 0 | 0 | 113.8 | K261 S262 S267 S268 | K261-Q265 PolarHBondContact O-N 3.34Å; K261-Q265 VanDerWaalsContact O-N 3.15Å; S262-Q265 PolarHBondContact O-N 3.43Å; Q265-S267 VanDerWaalsContact C-N 3.33Å; Q265-S267 PolarHBondContact O-N 2.64Å; Q265-S268 PolarHBondContact O-OG 2.72Å |
| 266 | M | 52.9 | Low | 61.6 | Low | 171 Ų | 171 | 115.2 Ų | 115.2 | 84% | 0.842 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.6 | -20.3 | 178.8 | -77.8 | 179.4 | 63.4 | 0 | 0 | 114.3 | S262 | S262-M266 PolarHBondContact O-N 3.32Å |
| 267 | S | 53.3 | Low | 61 | Low | 101 Ų | 101 | 111 Ų | 111 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -4.1 | -174.1 | 64 | 0 | 0 | 0 | 0 | 114.7 | E264 Q265 | E264-S267 PolarHBondContact O-OG 3.03Å; E264-S267 VanDerWaalsContact O-OG 3.13Å; Q265-S267 VanDerWaalsContact C-N 3.33Å; Q265-S267 PolarHBondContact O-N 2.64Å |
| 268 | S | 51.5 | Low | 60.5 | Low | 91 Ų | 91 | 115.3 Ų | 115.3 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | trans | -114.3 | 10.4 | -165.1 | 60.2 | 0 | 0 | 0 | 0 | 116.9 | Q265 | Q265-S268 PolarHBondContact O-OG 2.72Š| ||
| 269 | Q | 47.3 | Very low | 60.3 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 137 | 178.2 | -68.4 | -162.4 | -15.9 | 0 | 0 | 114.1 | ||
| 270 | P | 52.2 | Low | 60.2 | Low | 131 Ų | 131 | 105.8 Ų | 105.8 | 85% | 0.851 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 130.4 | -176.5 | 29.9 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 271 | K | 49.2 | Very low | 60.4 | Low | 192 Ų | 192 | 103 Ų | 103 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 137.1 | 180 | -63.1 | -180 | -179.3 | 179.3 | 0 | 111.1 | ||
| 272 | S | 52.9 | Low | 60.7 | Low | 75 Ų | 75 | 101 Ų | 101 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -75.6 | 162.5 | 170.9 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | C274 G275 | S272-C274 PolarHBondContact O-N 3.31Å; S272-C274 VanDerWaalsContact O-N 3.11Å; S272-G275 WeakPolarHBondContact O-CA 3.43Å; S272-G275 PolarHBondContact O-N 3.38Å |
| 273 | A | 55.1 | Low | 61.2 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 100% | 1 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -23.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 274 | C | 58.6 | Low | 61.8 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 46% | 0.459 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14 | 173.4 | 75.9 | 0 | 0 | 0 | 0 | 113.5 | S272 N276 C277 | S272-C274 PolarHBondContact O-N 3.31Å; S272-C274 VanDerWaalsContact O-N 3.11Å; C274-N276 PolarHBondContact O-N 3.13Å; C274-C277 WeakPolarHBondContact CB-SG 3.36Å; C274-C277 WeakPolarHBondContact SG-CB 3.46Å; C274-C277 PolarHBondContact SG-N 3.45Å; C274-C277 VanDerWaalsContact SG-N 3.39Å; C274-C277 CovalentContact SG-SG 2.07Å; C274-C277 PolarHBondContact SG-SG 2.86Å |
| 275 | G | 65.4 | Low | 62.5 | Low | 24 Ų | 24 | 94.7 Ų | 94.7 | 25% | 0.247 | 55% | 0.547 | C | S | . | . | S | Bend | trans | 66.3 | -31.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | S272 Y278 | S272-G275 WeakPolarHBondContact O-CA 3.43Å; S272-G275 PolarHBondContact O-N 3.38Å; G275-Y278 WeakPolarHBondContact O-CE1 3.46Å |
| 276 | N | 68.9 | Low | 63.4 | Low | 76 Ų | 76 | 92.4 Ų | 92.4 | 41% | 0.406 | 55% | 0.553 | S | S | . | * | trans | -123.7 | 6.1 | -161.7 | -73.8 | -9.6 | 0 | 0 | 0 | 115.2 | C274 Y278 L279 F283 | C274-N276 PolarHBondContact O-N 3.13Å; N276-Y278 PolarHBondContact O-N 3.38Å; N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 WeakPolarHBondContact O-CB 3.46Å; N276-L279 PolarHBondContact O-N 3.49Å; N276-F283 HydrophobicContact CB-CB 4.45Å | ||
| 277 | C | 67.8 | Low | 64.1 | Low | 37 Ų | 37 | 89.8 Ų | 89.8 | 25% | 0.25 | 55% | 0.552 | C | S | . | * | G | 310 helix | trans | -62 | -18.8 | -174.4 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | C274 | C274-C277 WeakPolarHBondContact CB-SG 3.36Å; C274-C277 WeakPolarHBondContact SG-CB 3.46Å; C274-C277 PolarHBondContact SG-N 3.45Å; C274-C277 VanDerWaalsContact SG-N 3.39Å; C274-C277 CovalentContact SG-SG 2.07Å; C274-C277 PolarHBondContact SG-SG 2.86Å |
| 278 | Y | 68.9 | Low | 65 | Low | 132 Ų | 132 | 86.6 Ų | 86.6 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -78.9 | -14.4 | 174.4 | 71.7 | -92.3 | 0 | 0 | 0 | 114.4 | G275 N276 G280 | G275-Y278 WeakPolarHBondContact O-CE1 3.46Å; N276-Y278 PolarHBondContact O-N 3.38Å; Y278-G280 VanDerWaalsContact C-N 3.27Å; Y278-G280 PolarHBondContact O-N 2.93Å |
| 279 | L | 71.7 | Confident | 66.1 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 38% | 0.382 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -84 | -1.6 | -177.6 | -66.4 | 170.1 | 0 | 0 | 0 | 113.2 | N276 F283 | N276-L279 HydrophobicContact CB-CD1 4.03Å; N276-L279 WeakPolarHBondContact O-CB 3.46Å; N276-L279 PolarHBondContact O-N 3.49Å; L279-F283 HydrophobicContact CB-CB 4.18Å; L279-F283 HydrophobicContact CB-CD2 3.57Å; L279-F283 HydrophobicContact CB-CE2 4.24Å; L279-F283 HydrophobicContact CB-CG 4.05Å; L279-F283 HydrophobicContact CD1-CD2 4.37Å; L279-F283 HydrophobicContact CD1-CG 4.33Å |
| 280 | G | 72.6 | Confident | 67.3 | Low | 9 Ų | 9 | 82 Ų | 82 | 9% | 0.093 | 50% | 0.502 | C | S | . | . | trans | 81 | -172.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y278 A282 F283 | Y278-G280 VanDerWaalsContact C-N 3.27Å; Y278-G280 PolarHBondContact O-N 2.93Å; G280-A282 VanDerWaalsContact C-N 3.27Å; G280-A282 PolarHBondContact O-N 3.2Å; G280-F283 PolarHBondContact O-N 3.04Å | ||
| 281 | D | 76.3 | Confident | 68.4 | Low | 59 Ų | 59 | 80.1 Ų | 80.1 | 32% | 0.316 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -64.1 | -25.1 | -168.3 | -73.5 | -29.7 | 0 | 0 | 0 | 114.9 | F283 R284 L291 G292 | D281-F283 PolarHBondContact O-N 2.87Å; D281-R284 PolarHBondContact O-N 3.17Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 VanDerWaalsContact OD1-CD 3.26Å; D281-R284 WeakPolarHBondContact OD1-CD 3.24Å; D281-R284 IonicContact OD1-CZ 3.46Å; D281-R284 IonicContact OD1-NE 3.5Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 3.45Å; D281-L291 WeakPolarHBondContact OD1-CA 3.47Å; D281-G292 PolarHBondContact OD1-N 3.46Å; D281-G292 VanDerWaalsContact OD1-N 3.14Å; D281-G292 WeakPolarHBondContact OD2-CA 3.27Å; D281-G292 PolarHBondContact OD2-N 2.93Å |
| 282 | A | 76.5 | Confident | 69.7 | Low | 91 Ų | 91 | 73.9 Ų | 73.9 | 75% | 0.752 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -60.9 | -18.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G280 | G280-A282 VanDerWaalsContact C-N 3.27Å; G280-A282 PolarHBondContact O-N 3.2Å |
| 283 | F | 71.7 | Confident | 70.8 | Confident | 127 Ų | 127 | 75.3 Ų | 75.3 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -120.1 | 11.5 | -178.8 | -61.7 | -85.2 | 0 | 0 | 0 | 113 | N276 L279 G280 D281 | N276-F283 HydrophobicContact CB-CB 4.45Å; L279-F283 HydrophobicContact CB-CB 4.18Å; L279-F283 HydrophobicContact CB-CD2 3.57Å; L279-F283 HydrophobicContact CB-CE2 4.24Å; L279-F283 HydrophobicContact CB-CG 4.05Å; L279-F283 HydrophobicContact CD1-CD2 4.37Å; L279-F283 HydrophobicContact CD1-CG 4.33Å; G280-F283 PolarHBondContact O-N 3.04Å; D281-F283 PolarHBondContact O-N 2.87Å |
| 284 | R | 73.4 | Confident | 71.8 | Confident | 24 Ų | 24 | 74.9 Ų | 74.9 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -94.6 | 132.8 | 174 | -65.7 | 179.3 | -169.2 | 165 | -6.3 | 108.7 | D281 C288 Y290 M293 P294 | D281-R284 PolarHBondContact O-N 3.17Å; D281-R284 VanDerWaalsContact O-N 3.14Å; D281-R284 VanDerWaalsContact OD1-CD 3.26Å; D281-R284 WeakPolarHBondContact OD1-CD 3.24Å; D281-R284 IonicContact OD1-CZ 3.46Å; D281-R284 IonicContact OD1-NE 3.5Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 3.45Å; R284-C288 HydrophobicContact CB-CB 3.94Å; R284-Y290 PolarHBondContact NH1-O 2.96Å; R284-M293 PolarHBondContact NH1-O 3.31Å; R284-P294 PolarHBondContact NH2-O 2.89Å; R284-P294 VanDerWaalsContact NH2-O 3.13Å |
| 285 | C | 73.8 | Confident | 72.6 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | trans | -60.7 | 153.3 | 176 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | S287 C288 L291 | C285-S287 PolarHBondContact O-N 3.43Å; C285-C288 WeakPolarHBondContact O-CB 3.32Å; C285-C288 PolarHBondContact O-N 2.95Å; C285-L291 WeakPolarHBondContact O-CD1 3.45Å | ||
| 286 | A | 71.4 | Confident | 72.9 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 83% | 0.826 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -26.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | C288 | A286-C288 VanDerWaalsContact C-N 3.32Š|
| 287 | S | 67.8 | Low | 73.1 | Confident | 116 Ų | 116 | 79.3 Ų | 79.3 | 81% | 0.811 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 7.5 | 177.9 | -24.2 | 0 | 0 | 0 | 0 | 113.9 | C285 P289 | C285-S287 PolarHBondContact O-N 3.43Å; S287-P289 WeakPolarHBondContact O-CD 3.31Å |
| 288 | C | 71.7 | Confident | 73 | Confident | 34 Ų | 34 | 82.2 Ų | 82.2 | 23% | 0.23 | 49% | 0.491 | C | S | . | . | trans | -74.6 | 125.5 | -173.9 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | R284 C285 A286 Y290 L291 | R284-C288 HydrophobicContact CB-CB 3.94Å; C285-C288 WeakPolarHBondContact O-CB 3.32Å; C285-C288 PolarHBondContact O-N 2.95Å; A286-C288 VanDerWaalsContact C-N 3.32Å; C288-Y290 PolarHBondContact O-N 2.74Å; C288-L291 HydrophobicContact CB-CB 4.43Å; C288-L291 WeakPolarHBondContact O-CB 3.26Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.11Å | ||
| 289 | P | 75.6 | Confident | 73 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 49% | 0.494 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.5 | -179.1 | -24.8 | 34.3 | 0 | 0 | 0 | 114.7 | S287 L304 | S287-P289 WeakPolarHBondContact O-CD 3.31Å; P289-L304 HydrophobicContact CG-CD2 3.89Å |
| 290 | Y | 71.9 | Confident | 72.7 | Confident | 60 Ų | 60 | 81.7 Ų | 81.7 | 24% | 0.235 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 11.1 | -177.6 | -59.6 | -72.4 | 0 | 0 | 0 | 113.3 | R284 C288 G292 M293 F296 V302 L303 L304 | R284-Y290 PolarHBondContact NH1-O 2.96Å; C288-Y290 PolarHBondContact O-N 2.74Å; Y290-G292 PolarHBondContact O-N 3.33Å; Y290-M293 HydrophobicContact CD1-SD 3.92Å; Y290-M293 WeakPolarHBondContact O-CB 3.38Å; Y290-M293 PolarHBondContact O-N 3.22Å; Y290-M293 VanDerWaalsContact O-N 3.1Å; Y290-F296 AromaticContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD2-CE2 4.39Å; Y290-F296 HydrophobicContact CD2-CZ 4.35Å; Y290-F296 HydrophobicContact CE1-CZ 4.33Å; Y290-F296 HydrophobicContact CG-CE2 4.13Å; Y290-F296 AromaticContact CG-CZ 3.98Å; Y290-F296 HydrophobicContact CG-CZ 3.98Å; Y290-V302 HydrophobicContact CD2-CG1 3.87Å; Y290-V302 HydrophobicContact CE2-CG1 3.27Å; Y290-L303 PolarHBondContact OH-O 2.87Å; Y290-L304 HydrophobicContact CD2-CD2 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 3.56Å; Y290-L304 HydrophobicContact CE2-CG 4.27Å |
| 291 | L | 74.6 | Confident | 72.2 | Confident | 91 Ų | 91 | 90.4 Ų | 90.4 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 121.9 | 179.5 | -158.6 | 144.6 | 0 | 0 | 0 | 110 | D281 C285 C288 | D281-L291 WeakPolarHBondContact OD1-CA 3.47Å; C285-L291 WeakPolarHBondContact O-CD1 3.45Å; C288-L291 HydrophobicContact CB-CB 4.43Å; C288-L291 WeakPolarHBondContact O-CB 3.26Å; C288-L291 PolarHBondContact O-N 3.44Å; C288-L291 VanDerWaalsContact O-N 3.11Å |
| 292 | G | 77.4 | Confident | 71.7 | Confident | 61 Ų | 61 | 90 Ų | 90 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.4 | -3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D281 Y290 | D281-G292 PolarHBondContact OD1-N 3.46Å; D281-G292 VanDerWaalsContact OD1-N 3.14Å; D281-G292 WeakPolarHBondContact OD2-CA 3.27Å; D281-G292 PolarHBondContact OD2-N 2.93Å; Y290-G292 PolarHBondContact O-N 3.33Å |
| 293 | M | 76.6 | Confident | 71 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -100 | 150.4 | 174.9 | -61.6 | -171.6 | 86.7 | 0 | 0 | 111.1 | R284 Y290 | R284-M293 PolarHBondContact NH1-O 3.31Å; Y290-M293 HydrophobicContact CD1-SD 3.92Å; Y290-M293 WeakPolarHBondContact O-CB 3.38Å; Y290-M293 PolarHBondContact O-N 3.22Å; Y290-M293 VanDerWaalsContact O-N 3.1Å |
| 294 | P | 74.6 | Confident | 70.6 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 72% | 0.721 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 159.2 | -178.6 | 21.7 | -32.7 | 0 | 0 | 0 | 113.3 | R284 F296 | R284-P294 PolarHBondContact NH2-O 2.89Å; R284-P294 VanDerWaalsContact NH2-O 3.13Å; P294-F296 PolarHBondContact O-N 3.39Å |
| 295 | A | 75.3 | Confident | 69.8 | Low | 56 Ų | 56 | 94.6 Ų | 94.6 | 46% | 0.463 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -61 | 136.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 296 | F | 73.3 | Confident | 69.1 | Low | 41 Ų | 41 | 96.8 Ų | 96.8 | 18% | 0.18 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -69.5 | 144 | 176.4 | -70.2 | -79.7 | 0 | 0 | 0 | 110.5 | Y290 P294 E300 V302 | Y290-F296 AromaticContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD1-CZ 3.97Å; Y290-F296 HydrophobicContact CD2-CE2 4.39Å; Y290-F296 HydrophobicContact CD2-CZ 4.35Å; Y290-F296 HydrophobicContact CE1-CZ 4.33Å; Y290-F296 HydrophobicContact CG-CE2 4.13Å; Y290-F296 AromaticContact CG-CZ 3.98Å; Y290-F296 HydrophobicContact CG-CZ 3.98Å; P294-F296 PolarHBondContact O-N 3.39Å; F296-E300 HydrophobicContact CD1-CG 4.47Å; F296-V302 HydrophobicContact CD1-CG2 3.86Å; F296-V302 HydrophobicContact CD2-CG2 3.76Å; F296-V302 HydrophobicContact CE1-CG2 3.89Å; F296-V302 HydrophobicContact CE2-CG1 4.3Å; F296-V302 HydrophobicContact CE2-CG2 3.8Å; F296-V302 HydrophobicContact CG-CG2 3.79Å; F296-V302 HydrophobicContact CZ-CG1 4.09Å; F296-V302 HydrophobicContact CZ-CG2 3.87Å |
| 297 | K | 72.6 | Confident | 68.4 | Low | 164 Ų | 164 | 96.7 Ų | 96.7 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 144.3 | 175.8 | -69.1 | -179.2 | -177.3 | 175 | 0 | 110 | G299 E300 | K297-G299 PolarHBondContact O-N 2.92Å; K297-E300 WeakPolarHBondContact O-CB 3.48Å; K297-E300 PolarHBondContact O-N 3.46Å; K297-E300 VanDerWaalsContact O-N 3.11Å |
| 298 | P | 66.3 | Low | 67.8 | Low | 98 Ų | 98 | 96.8 Ų | 96.8 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | 117 | 175 | -23.9 | 33.1 | 0 | 0 | 0 | 110.8 | ||
| 299 | G | 67.4 | Low | 67.1 | Low | 81 Ų | 81 | 101 Ų | 101 | 84% | 0.835 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 106.5 | -6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K297 | K297-G299 PolarHBondContact O-N 2.92Š|
| 300 | E | 66.9 | Low | 65.9 | Low | 114 Ų | 114 | 106.1 Ų | 106.1 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | trans | -79.2 | 124.6 | 176.5 | -163.9 | 171.8 | 177.5 | 0 | 0 | 111.2 | F296 K297 V302 | F296-E300 HydrophobicContact CD1-CG 4.47Å; K297-E300 WeakPolarHBondContact O-CB 3.48Å; K297-E300 PolarHBondContact O-N 3.46Å; K297-E300 VanDerWaalsContact O-N 3.11Å; E300-V302 PolarHBondContact O-N 3.24Å | ||
| 301 | K | 61.5 | Low | 64.4 | Low | 192 Ų | 192 | 111.4 Ų | 111.4 | 84% | 0.835 | 63% | 0.631 | S | S | * | * | trans | -79.9 | 108.3 | 179.2 | -73.9 | -175.9 | 179.7 | 179.8 | 0 | 109.9 | L303 | K301-L303 PolarHBondContact O-N 3.07Š| ||
| 302 | V | 64.9 | Low | 62.5 | Low | 51 Ų | 51 | 115.2 Ų | 115.2 | 31% | 0.309 | 68% | 0.676 | S | S | . | * | trans | -75.1 | 117 | 173.2 | -174 | 0 | 0 | 0 | 0 | 108.9 | Y290 F296 E300 | Y290-V302 HydrophobicContact CD2-CG1 3.87Å; Y290-V302 HydrophobicContact CE2-CG1 3.27Å; F296-V302 HydrophobicContact CD1-CG2 3.86Å; F296-V302 HydrophobicContact CD2-CG2 3.76Å; F296-V302 HydrophobicContact CE1-CG2 3.89Å; F296-V302 HydrophobicContact CE2-CG1 4.3Å; F296-V302 HydrophobicContact CE2-CG2 3.8Å; F296-V302 HydrophobicContact CG-CG2 3.79Å; F296-V302 HydrophobicContact CZ-CG1 4.09Å; F296-V302 HydrophobicContact CZ-CG2 3.87Å; E300-V302 PolarHBondContact O-N 3.24Å | ||
| 303 | L | 62.8 | Low | 61.7 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | -97.2 | 101.1 | 177.2 | -65.6 | 175 | 0 | 0 | 0 | 109.8 | Y290 K301 | Y290-L303 PolarHBondContact OH-O 2.87Å; K301-L303 PolarHBondContact O-N 3.07Å | ||
| 304 | L | 61.8 | Low | 61 | Low | 109 Ų | 109 | 118.6 Ų | 118.6 | 57% | 0.571 | 69% | 0.686 | S | S | * | * | trans | -79 | 130.9 | 170.5 | -68.8 | 158.7 | 0 | 0 | 0 | 108.9 | P289 Y290 | P289-L304 HydrophobicContact CG-CD2 3.89Å; Y290-L304 HydrophobicContact CD2-CD2 4.21Å; Y290-L304 HydrophobicContact CE2-CD2 3.56Å; Y290-L304 HydrophobicContact CE2-CG 4.27Å | ||
| 305 | S | 58.2 | Low | 60.2 | Low | 87 Ų | 87 | 119 Ų | 119 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | trans | -86.9 | 137.7 | 172.7 | -50.2 | 0 | 0 | 0 | 0 | 109.8 | S307 | S305-S307 PolarHBondContact O-N 3.04Š| ||
| 306 | D | 57.5 | Low | 59.3 | Low | 145 Ų | 145 | 122.7 Ų | 122.7 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -60.4 | -10.1 | -171.9 | -80.5 | -51.1 | 0 | 0 | 0 | 115.9 | N308 | D306-N308 VanDerWaalsContact C-N 3.26Å; D306-N308 PolarHBondContact O-N 3.49Å |
| 307 | S | 56.6 | Low | 58.4 | Low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -75.1 | -4 | -175.9 | 33.9 | 0 | 0 | 0 | 0 | 115.6 | S305 | S305-S307 PolarHBondContact O-N 3.04Š|
| 308 | N | 56.1 | Low | 57.5 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 63% | 0.631 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -124.8 | 15.6 | -175.9 | -72.2 | -43.9 | 0 | 0 | 0 | 114.6 | D306 H310 | D306-N308 VanDerWaalsContact C-N 3.26Å; D306-N308 PolarHBondContact O-N 3.49Å; N308-H310 PolarHBondContact O-N 2.78Å |
| 309 | L | 56.2 | Low | 56.9 | Low | 122 Ų | 122 | 127.4 Ų | 127.4 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | trans | -86.5 | 99 | 171.6 | -64.3 | 175.1 | 0 | 0 | 0 | 108.9 | ||||
| 310 | H | 50.5 | Low | 56.1 | Low | 184 Ų | 184 | 130.9 Ų | 130.9 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | trans | -93.2 | 113 | 161.4 | -72.7 | -9.4 | 0 | 0 | 0 | 107.9 | N308 A312 | N308-H310 PolarHBondContact O-N 2.78Å; H310-A312 PolarHBondContact O-N 2.7Å | ||
| 311 | D | 41.8 | Very low | 55.1 | Low | 171 Ų | 171 | 132.3 Ų | 132.3 | 91% | 0.914 | 75% | 0.747 | S | S | * | * | trans | -84.5 | 104.4 | -177.2 | -146.3 | 1.9 | 0 | 0 | 0 | 108.7 | ||||
| 312 | A | 33.8 | Very low | 54.6 | Low | 170 Ų | 170 | 126.9 Ų | 126.9 | 100% | 1.405 | 74% | 0.739 | S | S | * | * | trans | 171.9 | 0 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | H310 | H310-A312 PolarHBondContact O-N 2.7Š|
Retrieved 312 of 312 residues in 188.4 ms
(Link to these results)