| 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 | 29.8 | Very low | 54.4 | Low | 221 Ų | 221 | 105.7 Ų | 105.7 | 100% | 1.089 | 50% | 0.503 | S | S | * | . | 0 | 103.3 | 0 | -90.8 | 167 | 170.5 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact O-N 3.33Å; M1-R3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | H | 38.5 | Very low | 55.3 | Low | 163 Ų | 163 | 96.9 Ų | 96.9 | 76% | 0.755 | 46% | 0.461 | S | S | * | . | trans | -64.2 | 114.2 | 173.6 | -72.8 | -73 | 0 | 0 | 0 | 108 | I4 | H2-I4 PolarHBondContact O-N 2.95Å; H2-I4 VanDerWaalsContact O-N 3.11Å | ||
| 3 | R | 42.1 | Very low | 56.1 | Low | 231 Ų | 231 | 95.4 Ų | 95.4 | 87% | 0.872 | 45% | 0.449 | S | S | * | . | trans | -68.8 | 109.3 | 177.9 | -165.4 | 179.2 | -77.2 | -151.8 | -1.5 | 106.5 | M1 | M1-R3 PolarHBondContact O-N 3.33Å; M1-R3 VanDerWaalsContact O-N 3.16Å | ||
| 4 | I | 51.9 | Low | 56.8 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 38% | 0.379 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.5 | -179.5 | -57.7 | 174.2 | 0 | 0 | 0 | 107.7 | H2 W63 K129 | H2-I4 PolarHBondContact O-N 2.95Å; H2-I4 VanDerWaalsContact O-N 3.11Å; I4-W63 HydrophobicContact CG2-CH2 3.74Å; I4-W63 HydrophobicContact CG2-CZ2 3.63Å; I4-W63 HydrophobicContact CG2-CZ3 4.47Å; I4-K129 HydrophobicContact CD1-CB 4.09Å |
| 5 | P | 53.8 | Low | 57.6 | Low | 8 Ų | 8 | 88.6 Ų | 88.6 | 5% | 0.052 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 146.5 | 175.6 | 12.3 | -18.2 | 0 | 0 | 0 | 112.2 | N7 H37 D38 W63 | P5-N7 PolarHBondContact O-N 3.16Å; P5-H37 WeakPolarHBondContact CB-O 3.27Å; P5-D38 HydrophobicContact CB-CB 4.13Å; P5-D38 HydrophobicContact CG-CB 4.17Å; P5-W63 HydrophobicContact CG-CD2 4.34Å; P5-W63 HydrophobicContact CG-CE3 3.56Å; P5-W63 HydrophobicContact CG-CZ3 3.68Å |
| 6 | N | 56.1 | Low | 58.3 | Low | 132 Ų | 132 | 86.2 Ų | 86.2 | 71% | 0.706 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57 | 128.2 | -172 | -72.9 | -31.7 | 0 | 0 | 0 | 111.1 | ||
| 7 | N | 59.9 | Low | 59.1 | Low | 130 Ų | 130 | 83.8 Ų | 83.8 | 70% | 0.695 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 16.5 | 97.8 | 174.1 | -76 | 6.6 | 0 | 0 | 0 | 116.4 | P5 F9 | P5-N7 PolarHBondContact O-N 3.16Å; N7-F9 PolarHBondContact O-N 3.41Å |
| 8 | P | 64.5 | Low | 60.1 | Low | 25 Ų | 25 | 84.4 Ų | 84.4 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 126.3 | 171.7 | 26.8 | -33.8 | 0 | 0 | 0 | 110.4 | N35 W36 P65 | P8-N35 CarbonylContact C-O 3.57Å; P8-W36 HydrophobicContact CB-CB 3.89Å; P8-P65 HydrophobicContact CB-CB 4.03Å; P8-P65 HydrophobicContact CB-CG 4.22Å; P8-P65 HydrophobicContact CG-CB 3.94Å |
| 9 | F | 68.9 | Low | 60.8 | Low | 135 Ų | 135 | 87 Ų | 87 | 59% | 0.592 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.3 | 166.8 | -76.6 | -86.2 | 0 | 0 | 0 | 109.3 | N7 Q34 N35 | N7-F9 PolarHBondContact O-N 3.41Å; F9-Q34 CarbonylContact O-C 3.48Å; F9-Q34 WeakPolarHBondContact O-CA 3.46Å; F9-N35 PolarHBondContact N-O 3.24Å; F9-N35 PolarHBondContact O-N 2.86Å |
| 10 | V | 67.9 | Low | 61.4 | Low | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.9 | -178.3 | 180 | 0 | 0 | 0 | 0 | 109.6 | L32 Q34 I125 L140 V141 F159 | V10-L32 HydrophobicContact CG1-CD1 3.44Å; V10-L32 VanDerWaalsContact CG1-CD1 3.44Å; V10-L32 HydrophobicContact CG1-CG 4.42Å; V10-Q34 HydrophobicContact CG1-CG 4.13Å; V10-Q34 HydrophobicContact CG2-CB 4.37Å; V10-Q34 HydrophobicContact CG2-CG 3.98Å; V10-I125 HydrophobicContact CG1-CG2 4.18Å; V10-L140 HydrophobicContact CB-CB 4.4Å; V10-L140 HydrophobicContact CB-CD1 3.89Å; V10-L140 HydrophobicContact CG1-CD1 4.41Å; V10-L140 HydrophobicContact CG2-CD1 3.5Å; V10-L140 VanDerWaalsContact CG2-CD1 3.5Å; V10-L140 HydrophobicContact CG2-CD2 4.45Å; V10-L140 HydrophobicContact CG2-CG 4.46Å; V10-V141 WeakPolarHBondContact O-CG2 3.4Å; V10-F159 VanDerWaalsContact O-CZ 3.32Å; V10-F159 WeakPolarHBondContact O-CZ 3.46Å |
| 11 | L | 65.4 | Low | 62.1 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.9 | -177.6 | -86.1 | 153.7 | 0 | 0 | 0 | 108.9 | Y13 R33 F157 F159 | L11-Y13 HydrophobicContact CB-CD2 4.5Å; L11-Y13 HydrophobicContact CB-CE2 3.75Å; L11-Y13 HydrophobicContact CD2-CE2 4.49Å; L11-R33 CarbonylContact C-O 3.47Å; L11-R33 HydrophobicContact CB-CB 4.41Å; L11-R33 PolarHBondContact N-O 3.01Å; L11-R33 CarbonylContact O-C 3.57Å; L11-R33 WeakPolarHBondContact O-CA 2.96Å; L11-R33 WeakPolarHBondContact O-CB 3.33Å; L11-R33 PolarHBondContact O-N 3.01Å; L11-F157 HydrophobicContact CD2-CE2 4.44Å; L11-F159 HydrophobicContact CD2-CE2 4.47Å |
| 12 | G | 64.9 | Low | 64.1 | Low | 0 Ų | 0 | 81.6 Ų | 81.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 88.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C14 Y31 L143 F157 | G12-C14 PolarHBondContact O-N 2.65Å; G12-C14 VanDerWaalsContact O-N 3.16Å; G12-Y31 CarbonylContact C-O 3.59Å; G12-Y31 WeakPolarHBondContact CA-O 3.17Å; G12-L143 WeakPolarHBondContact O-CD1 3.38Å; G12-F157 WeakPolarHBondContact O-CE1 3.42Å; G12-F157 WeakPolarHBondContact O-CZ 3.12Å |
| 13 | Y | 66.2 | Low | 66.1 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 30% | 0.302 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 107.8 | -174.1 | -62.5 | -90.5 | 0 | 0 | 0 | 111.8 | L11 I15 F30 Y31 R33 F157 | L11-Y13 HydrophobicContact CB-CD2 4.5Å; L11-Y13 HydrophobicContact CB-CE2 3.75Å; L11-Y13 HydrophobicContact CD2-CE2 4.49Å; Y13-I15 PolarHBondContact O-N 3.38Å; Y13-F30 CarbonylContact O-C 3.59Å; Y13-F30 WeakPolarHBondContact O-CA 3.5Å; Y13-F30 WeakPolarHBondContact O-CB 3.4Å; Y13-Y31 PolarHBondContact N-O 2.8Å; Y13-Y31 PolarHBondContact O-N 2.68Å; Y13-R33 HydrophobicContact CD2-CG 4.1Å; Y13-R33 HydrophobicContact CE2-CB 4.34Å; Y13-R33 HydrophobicContact CE2-CG 4.21Å; Y13-F157 AromaticContact CD1-CE2 3.84Å; Y13-F157 HydrophobicContact CD1-CE2 3.84Å; Y13-F157 HydrophobicContact CD1-CZ 4.03Å; Y13-F157 HydrophobicContact CD2-CZ 4.46Å; Y13-F157 AromaticContact CE1-CE2 3.92Å; Y13-F157 HydrophobicContact CE1-CE2 3.92Å; Y13-F157 HydrophobicContact CE1-CZ 4.35Å; Y13-F157 HydrophobicContact CG-CE2 4.38Å; Y13-F157 HydrophobicContact CG-CZ 4.11Å |
| 14 | C | 65.5 | Low | 68 | Low | 19 Ų | 19 | 74.2 Ų | 74.2 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 129.5 | 175.2 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | G12 L143 C155 | G12-C14 PolarHBondContact O-N 2.65Å; G12-C14 VanDerWaalsContact O-N 3.16Å; C14-L143 HydrophobicContact CB-CD2 4.06Å; C14-C155 HydrophobicContact CB-CB 3.06Å; C14-C155 WeakPolarHBondContact CB-SG 3.38Å; C14-C155 WeakPolarHBondContact SG-CB 3.3Å; C14-C155 CovalentContact SG-SG 2.04Å; C14-C155 PolarHBondContact SG-SG 3.22Å |
| 15 | I | 69.2 | Low | 69.6 | Low | 70 Ų | 70 | 71.8 Ų | 71.8 | 36% | 0.359 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -53.6 | 178.6 | -57.1 | 159.3 | 0 | 0 | 0 | 109 | Y13 D29 Y31 R100 | Y13-I15 PolarHBondContact O-N 3.38Å; I15-D29 WeakPolarHBondContact CA-O 3.14Å; I15-D29 WeakPolarHBondContact CB-O 3.2Å; I15-D29 PolarHBondContact N-O 3.1Å; I15-Y31 HydrophobicContact CD1-CD1 4.39Å; I15-Y31 HydrophobicContact CD1-CD2 3.28Å; I15-Y31 HydrophobicContact CD1-CE1 4.31Å; I15-Y31 HydrophobicContact CD1-CE2 3.15Å; I15-Y31 HydrophobicContact CD1-CG 3.91Å; I15-Y31 HydrophobicContact CG1-CD2 3.35Å; I15-Y31 HydrophobicContact CG1-CE2 3.47Å; I15-Y31 VanDerWaalsContact CG1-CE2 3.47Å; I15-Y31 HydrophobicContact CG1-CG 4.28Å; I15-R100 HydrophobicContact CD1-CG 3.93Å |
| 16 | S | 68.2 | Low | 71 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 146.3 | -177.7 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | D29 | S16-D29 PolarHBondContact N-O 3.38Å; S16-D29 VanDerWaalsContact N-O 3.07Å; S16-D29 PolarHBondContact O-N 3.25Å |
| 17 | L | 72.6 | Confident | 72.3 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.8 | 164.9 | -170 | 137.6 | 0 | 0 | 0 | 108 | I20 Y26 V145 V147 | L17-I20 HydrophobicContact CD2-CD1 3.43Å; L17-I20 VanDerWaalsContact CD2-CD1 3.43Å; L17-I20 HydrophobicContact CD2-CG1 4.07Å; L17-Y26 HydrophobicContact CD1-CD2 4.26Å; L17-V145 HydrophobicContact CD1-CB 4.46Å; L17-V145 HydrophobicContact CD1-CG1 3.56Å; L17-V147 HydrophobicContact CD1-CG2 4.1Å |
| 18 | K | 75.9 | Confident | 73.4 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -55.9 | -175.4 | -66.8 | -155.3 | -177.6 | -178.9 | 0 | 112.3 | T27 D29 T102 | K18-T27 HydrophobicContact CB-CG2 4.12Å; K18-T27 HydrophobicContact CD-CG2 4.42Å; K18-T27 HydrophobicContact CG-CG2 4.43Å; K18-T27 PolarHBondContact N-O 2.03Å; K18-D29 WeakPolarHBondContact CE-OD2 3.44Å; K18-D29 HydrophobicContact CG-CB 4.39Å; K18-D29 IonicContact NZ-OD2 3.03Å; K18-D29 PolarHBondContact NZ-OD2 3.1Å; K18-T102 PolarHBondContact NZ-OG1 2.76Å |
| 19 | Y | 73.8 | Confident | 74.2 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 53% | 0.525 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 158 | 176.5 | 63.4 | -87.8 | 0 | 0 | 0 | 110.8 | T27 | Y19-T27 HydrophobicContact CE1-CG2 4.3Å; Y19-T27 PolarHBondContact O-N 2.87Å |
| 20 | I | 73 | Confident | 74.8 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134 | 169.5 | -65.1 | 112.4 | 0 | 0 | 0 | 107.7 | L17 D25 M109 V147 | L17-I20 HydrophobicContact CD2-CD1 3.43Å; L17-I20 VanDerWaalsContact CD2-CD1 3.43Å; L17-I20 HydrophobicContact CD2-CG1 4.07Å; I20-D25 CarbonylContact C-O 3.46Å; I20-D25 WeakPolarHBondContact CA-O 3.08Å; I20-M109 HydrophobicContact CG2-CE 3.28Å; I20-M109 HydrophobicContact CG2-SD 3.36Å; I20-M109 WeakPolarHBondContact CG2-SD 2.82Å; I20-V147 HydrophobicContact CD1-CB 4.21Å; I20-V147 HydrophobicContact CD1-CG1 3.15Å; I20-V147 HydrophobicContact CD1-CG2 4.1Å; I20-V147 HydrophobicContact CG1-CG1 3.87Å; I20-V147 HydrophobicContact CG1-CG2 4.21Å |
| 21 | S | 75.8 | Confident | 75.5 | Confident | 25 Ų | 25 | 55.2 Ų | 55.2 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 152.8 | 175 | 98.4 | 0 | 0 | 0 | 0 | 110.7 | F23 Q24 D25 M109 | S21-F23 PolarHBondContact O-N 3.19Å; S21-F23 PolarHBondContact OG-N 3.11Å; S21-F23 VanDerWaalsContact OG-N 3.1Å; S21-Q24 PolarHBondContact O-N 3.18Å; S21-D25 PolarHBondContact N-O 2.82Å; S21-D25 WeakPolarHBondContact OG-CB 3.13Å; S21-M109 WeakPolarHBondContact O-CE 3.19Å |
| 22 | Y | 72 | Confident | 76.3 | Confident | 194 Ų | 194 | 53.2 Ų | 53.2 | 76% | 0.761 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.6 | 172.7 | -176.5 | -99.1 | 0 | 0 | 0 | 113 | Q24 | Y22-Q24 PolarHBondContact O-N 2.93Å; Y22-Q24 VanDerWaalsContact O-N 3.1Å |
| 23 | F | 80.3 | Confident | 77.3 | Confident | 156 Ų | 156 | 57.9 Ų | 57.9 | 68% | 0.684 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 28.8 | -179.9 | -61 | -76.9 | 0 | 0 | 0 | 113.4 | S21 D25 | S21-F23 PolarHBondContact O-N 3.19Å; S21-F23 PolarHBondContact OG-N 3.11Å; S21-F23 VanDerWaalsContact OG-N 3.1Å; F23-D25 VanDerWaalsContact C-N 3.29Å; F23-D25 PolarHBondContact O-N 2.96Å |
| 24 | Q | 82.5 | Confident | 78.1 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 42 | 178.8 | -65.3 | -177.2 | -6.5 | 0 | 0 | 112.7 | S21 Y22 S106 C107 | S21-Q24 PolarHBondContact O-N 3.18Å; Y22-Q24 PolarHBondContact O-N 2.93Å; Y22-Q24 VanDerWaalsContact O-N 3.1Å; Q24-S106 PolarHBondContact O-OG 2.54Å; Q24-C107 CarbonylContact C-O 3.57Å; Q24-C107 WeakPolarHBondContact CA-O 3.23Å; Q24-C107 WeakPolarHBondContact CB-O 3.32Å; Q24-C107 CarbonylContact O-C 3.6Å; Q24-C107 PolarHBondContact O-N 2.71Å; Q24-C107 VanDerWaalsContact O-O 3.13Å |
| 25 | D | 85.3 | Confident | 79 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 147.5 | 177.7 | -62.2 | -35.5 | 0 | 0 | 0 | 110 | I20 S21 F23 K73 T104 A105 | I20-D25 CarbonylContact C-O 3.46Å; I20-D25 WeakPolarHBondContact CA-O 3.08Å; S21-D25 PolarHBondContact N-O 2.82Å; S21-D25 WeakPolarHBondContact OG-CB 3.13Å; F23-D25 VanDerWaalsContact C-N 3.29Å; F23-D25 PolarHBondContact O-N 2.96Å; D25-K73 VanDerWaalsContact OD1-CD 3.23Å; D25-K73 WeakPolarHBondContact OD1-CD 3.38Å; D25-K73 WeakPolarHBondContact OD1-CE 3.17Å; D25-K73 IonicContact OD1-NZ 2.65Å; D25-K73 PolarHBondContact OD1-NZ 2.98Å; D25-K73 WeakPolarHBondContact OD2-CD 2.99Å; D25-K73 IonicContact OD2-NZ 3.01Å; D25-K73 PolarHBondContact OD2-NZ 2.97Å; D25-T104 HydrophobicContact CB-CG2 4.06Å; D25-A105 WeakPolarHBondContact CA-O 2.84Å |
| 26 | Y | 84 | Confident | 79.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.4 | 174.3 | 72.2 | -68.4 | 0 | 0 | 0 | 109.5 | L17 L28 T104 A105 C107 C121 T122 L123 V145 | L17-Y26 HydrophobicContact CD1-CD2 4.26Å; Y26-L28 HydrophobicContact CD2-CD2 3.8Å; Y26-L28 HydrophobicContact CE2-CD2 3.3Å; Y26-L28 HydrophobicContact CE2-CG 4.43Å; Y26-T104 VanDerWaalsContact O-CA 3.31Å; Y26-T104 WeakPolarHBondContact O-CA 3.32Å; Y26-A105 HydrophobicContact CD1-CB 4.37Å; Y26-A105 VanDerWaalsContact CD1-O 3.24Å; Y26-A105 WeakPolarHBondContact CD1-O 3.48Å; Y26-A105 HydrophobicContact CE1-CB 3.59Å; Y26-A105 PolarHBondContact N-O 3.15Å; Y26-A105 PolarHBondContact O-N 3.03Å; Y26-C107 HydrophobicContact CD1-CB 3.43Å; Y26-C107 VanDerWaalsContact CD1-CB 3.43Å; Y26-C107 HydrophobicContact CE1-CB 3.73Å; Y26-C107 HydrophobicContact CG-CB 4.42Å; Y26-C121 HydrophobicContact CD1-CB 3.9Å; Y26-C121 HydrophobicContact CD2-CB 4.15Å; Y26-C121 HydrophobicContact CE1-CB 3.7Å; Y26-C121 HydrophobicContact CE2-CB 3.91Å; Y26-C121 HydrophobicContact CG-CB 4.14Å; Y26-T122 PolarHBondContact OH-O 2.77Å; Y26-L123 WeakPolarHBondContact OH-CA 3.45Å; Y26-L123 WeakPolarHBondContact OH-CB 3.32Å; Y26-L123 PolarHBondContact OH-N 2.78Å; Y26-L123 VanDerWaalsContact OH-N 3.1Å; Y26-V145 HydrophobicContact CE2-CG2 4.42Å |
| 27 | T | 83.5 | Confident | 80.5 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | K18 Y19 T102 V103 T104 | K18-T27 HydrophobicContact CB-CG2 4.12Å; K18-T27 HydrophobicContact CD-CG2 4.42Å; K18-T27 HydrophobicContact CG-CG2 4.43Å; K18-T27 PolarHBondContact N-O 2.03Å; Y19-T27 HydrophobicContact CE1-CG2 4.3Å; Y19-T27 PolarHBondContact O-N 2.87Å; T27-T102 HydrophobicContact CG2-CG2 3.45Å; T27-T102 VanDerWaalsContact CG2-CG2 3.45Å; T27-V103 WeakPolarHBondContact CA-O 3Å; T27-T104 PolarHBondContact OG1-OG1 2.81Å |
| 28 | L | 82.2 | Confident | 81.2 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.8 | -179.6 | 56.9 | 139.6 | 0 | 0 | 0 | 110.6 | Y26 F30 T102 V103 L123 L143 | Y26-L28 HydrophobicContact CD2-CD2 3.8Å; Y26-L28 HydrophobicContact CE2-CD2 3.3Å; Y26-L28 HydrophobicContact CE2-CG 4.43Å; L28-F30 HydrophobicContact CD1-CD1 3.28Å; L28-F30 HydrophobicContact CD1-CE1 3.44Å; L28-F30 VanDerWaalsContact CD1-CE1 3.44Å; L28-F30 HydrophobicContact CD1-CG 4.11Å; L28-F30 HydrophobicContact CD1-CZ 4.38Å; L28-F30 HydrophobicContact CG-CD1 4.07Å; L28-F30 HydrophobicContact CG-CE1 4.21Å; L28-T102 CarbonylContact O-C 3.38Å; L28-T102 VanDerWaalsContact O-CA 3.26Å; L28-T102 WeakPolarHBondContact O-CA 3.41Å; L28-V103 HydrophobicContact CD2-CB 4.39Å; L28-V103 VanDerWaalsContact CD2-O 3.25Å; L28-V103 WeakPolarHBondContact CD2-O 3.37Å; L28-V103 HydrophobicContact CG-CB 4.37Å; L28-V103 WeakPolarHBondContact CG-O 3.41Å; L28-V103 PolarHBondContact N-O 3.42Å; L28-V103 PolarHBondContact O-N 2.82Å; L28-L123 HydrophobicContact CD1-CD1 4.36Å; L28-L123 HydrophobicContact CD1-CD2 3.55Å; L28-L123 HydrophobicContact CD1-CG 4.35Å; L28-L123 HydrophobicContact CD2-CD1 4.08Å; L28-L143 HydrophobicContact CD1-CD2 4.24Å |
| 29 | D | 81.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.4 | 170.5 | -156.7 | -33.7 | 0 | 0 | 0 | 108 | I15 S16 K18 H78 R100 L101 | I15-D29 WeakPolarHBondContact CA-O 3.14Å; I15-D29 WeakPolarHBondContact CB-O 3.2Å; I15-D29 PolarHBondContact N-O 3.1Å; S16-D29 PolarHBondContact N-O 3.38Å; S16-D29 VanDerWaalsContact N-O 3.07Å; S16-D29 PolarHBondContact O-N 3.25Å; K18-D29 WeakPolarHBondContact CE-OD2 3.44Å; K18-D29 HydrophobicContact CG-CB 4.39Å; K18-D29 IonicContact NZ-OD2 3.03Å; K18-D29 PolarHBondContact NZ-OD2 3.1Å; D29-H78 IonicContact OD1-NE2 3.58Å; D29-H78 IonicContact OD2-NE2 3.58Å; D29-R100 WeakPolarHBondContact OD1-CG 3.01Å; D29-R100 IonicContact OD1-CZ 2.71Å; D29-R100 IonicContact OD1-NE 3.63Å; D29-R100 PolarHBondContact OD1-NE 2.91Å; D29-R100 IonicContact OD1-NH2 3.34Å; D29-R100 IonicContact OD2-CZ 3.55Å; D29-R100 IonicContact OD2-NE 3.77Å; D29-R100 PolarHBondContact OD2-NE 3.39Å; D29-R100 IonicContact OD2-NH2 2.77Å; D29-R100 PolarHBondContact OD2-NH2 2.72Å; D29-L101 WeakPolarHBondContact CA-O 3.45Å |
| 30 | F | 81.6 | Confident | 82.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157.5 | -175.1 | 68.3 | -77.5 | 0 | 0 | 0 | 112.7 | Y13 L28 L32 F69 R100 L101 V103 L123 | Y13-F30 CarbonylContact O-C 3.59Å; Y13-F30 WeakPolarHBondContact O-CA 3.5Å; Y13-F30 WeakPolarHBondContact O-CB 3.4Å; L28-F30 HydrophobicContact CD1-CD1 3.28Å; L28-F30 HydrophobicContact CD1-CE1 3.44Å; L28-F30 VanDerWaalsContact CD1-CE1 3.44Å; L28-F30 HydrophobicContact CD1-CG 4.11Å; L28-F30 HydrophobicContact CD1-CZ 4.38Å; L28-F30 HydrophobicContact CG-CD1 4.07Å; L28-F30 HydrophobicContact CG-CE1 4.21Å; F30-L32 HydrophobicContact CD2-CB 4.37Å; F30-L32 HydrophobicContact CE2-CB 3.99Å; F30-L32 HydrophobicContact CE2-CD1 4.38Å; F30-F69 HydrophobicContact CE2-CE1 4.04Å; F30-F69 HydrophobicContact CE2-CZ 4.11Å; F30-F69 HydrophobicContact CZ-CD1 4.49Å; F30-F69 AromaticContact CZ-CE1 3.55Å; F30-F69 HydrophobicContact CZ-CE1 3.55Å; F30-F69 AromaticContact CZ-CZ 3.58Å; F30-F69 HydrophobicContact CZ-CZ 3.58Å; F30-R100 CarbonylContact O-C 3.6Å; F30-R100 WeakPolarHBondContact O-CA 3.49Å; F30-L101 HydrophobicContact CD1-CB 4.35Å; F30-L101 WeakPolarHBondContact CD1-O 3.26Å; F30-L101 HydrophobicContact CE1-CB 3.89Å; F30-L101 HydrophobicContact CE2-CB 4.39Å; F30-L101 HydrophobicContact CE2-CD1 4.1Å; F30-L101 HydrophobicContact CZ-CB 3.91Å; F30-L101 HydrophobicContact CZ-CD1 3.94Å; F30-L101 PolarHBondContact N-O 2.78Å; F30-L101 PolarHBondContact O-N 2.87Å; F30-V103 HydrophobicContact CE1-CB 3.94Å; F30-V103 HydrophobicContact CE1-CG2 3.56Å; F30-V103 HydrophobicContact CZ-CG2 3.89Å; F30-L123 HydrophobicContact CE1-CD2 4.02Å; F30-L123 HydrophobicContact CE2-CD2 4.35Å; F30-L123 HydrophobicContact CZ-CD2 3.79Å |
| 31 | Y | 82.7 | Confident | 82.9 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 31% | 0.306 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 108.6 | 169.3 | -71.3 | -70.1 | 0 | 0 | 0 | 110.4 | G12 Y13 I15 R33 Q99 R100 | G12-Y31 CarbonylContact C-O 3.59Å; G12-Y31 WeakPolarHBondContact CA-O 3.17Å; Y13-Y31 PolarHBondContact N-O 2.8Å; Y13-Y31 PolarHBondContact O-N 2.68Å; I15-Y31 HydrophobicContact CD1-CD1 4.39Å; I15-Y31 HydrophobicContact CD1-CD2 3.28Å; I15-Y31 HydrophobicContact CD1-CE1 4.31Å; I15-Y31 HydrophobicContact CD1-CE2 3.15Å; I15-Y31 HydrophobicContact CD1-CG 3.91Å; I15-Y31 HydrophobicContact CG1-CD2 3.35Å; I15-Y31 HydrophobicContact CG1-CE2 3.47Å; I15-Y31 VanDerWaalsContact CG1-CE2 3.47Å; I15-Y31 HydrophobicContact CG1-CG 4.28Å; Y31-R33 PolarHBondContact O-N 3.12Å; Y31-Q99 CarbonylContact C-O 3.52Å; Y31-Q99 WeakPolarHBondContact CA-O 3.47Å; Y31-R100 HydrophobicContact CD1-CB 3.87Å; Y31-R100 HydrophobicContact CD1-CG 4.34Å; Y31-R100 HydrophobicContact CE1-CB 3.69Å; Y31-R100 HydrophobicContact CE1-CG 4.07Å |
| 32 | L | 82.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 112.5 | 167.8 | -174.6 | 64.3 | 0 | 0 | 0 | 109.6 | V10 F30 Q34 T67 F69 S98 Q99 L101 I125 | V10-L32 HydrophobicContact CG1-CD1 3.44Å; V10-L32 VanDerWaalsContact CG1-CD1 3.44Å; V10-L32 HydrophobicContact CG1-CG 4.42Å; F30-L32 HydrophobicContact CD2-CB 4.37Å; F30-L32 HydrophobicContact CE2-CB 3.99Å; F30-L32 HydrophobicContact CE2-CD1 4.38Å; L32-Q34 HydrophobicContact CD2-CG 4.45Å; L32-Q34 HydrophobicContact CG-CG 4.17Å; L32-T67 HydrophobicContact CD2-CG2 4.17Å; L32-F69 HydrophobicContact CD2-CZ 4.19Å; L32-S98 CarbonylContact O-C 3.57Å; L32-S98 VanDerWaalsContact O-CA 3.31Å; L32-S98 WeakPolarHBondContact O-CA 3.35Å; L32-Q99 HydrophobicContact CB-CG 3.99Å; L32-Q99 PolarHBondContact N-O 2.03Å; L32-Q99 PolarHBondContact O-N 3.14Å; L32-L101 HydrophobicContact CB-CD1 3.75Å; L32-L101 HydrophobicContact CB-CG 4.44Å; L32-L101 HydrophobicContact CD2-CD1 3.79Å; L32-L101 HydrophobicContact CG-CD1 4.41Å; L32-I125 HydrophobicContact CD1-CD1 4.24Å |
| 33 | R | 84.3 | Confident | 84 | Confident | 98 Ų | 98 | 41.7 Ų | 41.7 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.1 | 170.8 | -64.3 | -171.1 | -178.1 | 162 | -1.2 | 110.4 | L11 Y13 Y31 T97 | L11-R33 CarbonylContact C-O 3.47Å; L11-R33 HydrophobicContact CB-CB 4.41Å; L11-R33 PolarHBondContact N-O 3.01Å; L11-R33 CarbonylContact O-C 3.57Å; L11-R33 WeakPolarHBondContact O-CA 2.96Å; L11-R33 WeakPolarHBondContact O-CB 3.33Å; L11-R33 PolarHBondContact O-N 3.01Å; Y13-R33 HydrophobicContact CD2-CG 4.1Å; Y13-R33 HydrophobicContact CE2-CB 4.34Å; Y13-R33 HydrophobicContact CE2-CG 4.21Å; Y31-R33 PolarHBondContact O-N 3.12Å; R33-T97 CarbonylContact C-O 3.53Å; R33-T97 WeakPolarHBondContact CA-O 3.45Å |
| 34 | Q | 84 | Confident | 84.2 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136 | 176.4 | -53.5 | 165.6 | -65.2 | 0 | 0 | 108.1 | F9 V10 L32 W36 P65 T67 L96 T97 | F9-Q34 CarbonylContact O-C 3.48Å; F9-Q34 WeakPolarHBondContact O-CA 3.46Å; V10-Q34 HydrophobicContact CG1-CG 4.13Å; V10-Q34 HydrophobicContact CG2-CB 4.37Å; V10-Q34 HydrophobicContact CG2-CG 3.98Å; L32-Q34 HydrophobicContact CD2-CG 4.45Å; L32-Q34 HydrophobicContact CG-CG 4.17Å; Q34-W36 HydrophobicContact CB-CE3 4.32Å; Q34-W36 HydrophobicContact CB-CZ3 4.18Å; Q34-P65 HydrophobicContact CB-CG 4.41Å; Q34-T67 PolarHBondContact NE2-OG1 3.11Å; Q34-L96 CarbonylContact O-C 3.59Å; Q34-L96 WeakPolarHBondContact O-CA 3.33Å; Q34-T97 WeakPolarHBondContact CB-OG1 3.44Å; Q34-T97 PolarHBondContact N-O 2.81Å; Q34-T97 PolarHBondContact O-N 3.2Å; Q34-T97 PolarHBondContact OE1-OG1 3.01Å |
| 35 | N | 84.2 | Confident | 84 | Confident | 43 Ų | 43 | 43.5 Ų | 43.5 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.5 | 179.2 | -170.8 | 7.6 | 0 | 0 | 0 | 109.3 | P8 F9 E94 V95 L96 | P8-N35 CarbonylContact C-O 3.57Å; F9-N35 PolarHBondContact N-O 3.24Å; F9-N35 PolarHBondContact O-N 2.86Å; N35-E94 PolarHBondContact ND2-OE1 2.74Å; N35-E94 WeakPolarHBondContact OD1-CG 3.39Å; N35-E94 PolarHBondContact OD1-OE1 3.1Å; N35-V95 VanDerWaalsContact CA-O 3.28Å; N35-V95 WeakPolarHBondContact CA-O 3.2Å; N35-V95 PolarHBondContact OD1-O 3.14Å; N35-V95 VanDerWaalsContact OD1-O 3.09Å; N35-L96 HydrophobicContact CB-CD1 4.3Å |
| 36 | W | 84.2 | Confident | 83.8 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.019 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 159.4 | 175.5 | 70.2 | 93.6 | 0 | 0 | 0 | 110.8 | P8 Q34 I62 W63 L64 P65 V95 T97 | P8-W36 HydrophobicContact CB-CB 3.89Å; Q34-W36 HydrophobicContact CB-CE3 4.32Å; Q34-W36 HydrophobicContact CB-CZ3 4.18Å; W36-I62 HydrophobicContact CH2-CD1 4.4Å; W36-I62 HydrophobicContact CZ2-CD1 4.01Å; W36-W63 HydrophobicContact CG-CZ3 4.3Å; W36-W63 VanDerWaalsContact CZ2-O 3.28Å; W36-W63 WeakPolarHBondContact CZ2-O 3.11Å; W36-W63 AromaticContact NE1-CE3 3.98Å; W36-L64 HydrophobicContact CH2-CD2 3.61Å; W36-L64 HydrophobicContact CZ2-CD2 4.26Å; W36-L64 HydrophobicContact CZ3-CD2 4.4Å; W36-P65 HydrophobicContact CE3-CG 4.34Å; W36-P65 HydrophobicContact CZ3-CG 4.45Å; W36-V95 HydrophobicContact CD2-CB 4.02Å; W36-V95 HydrophobicContact CD2-CG1 4.46Å; W36-V95 HydrophobicContact CE3-CB 4.43Å; W36-V95 HydrophobicContact CH2-CB 4.15Å; W36-V95 HydrophobicContact CH2-CG1 3.53Å; W36-V95 HydrophobicContact CZ2-CB 3.73Å; W36-V95 HydrophobicContact CZ2-CG1 3.38Å; W36-V95 HydrophobicContact CZ2-CG2 4.3Å; W36-V95 HydrophobicContact CZ3-CB 4.49Å; W36-V95 HydrophobicContact CZ3-CG1 4.15Å; W36-V95 PolarHBondContact N-O 3.02Å; W36-V95 PolarHBondContact O-N 2.8Å; W36-T97 HydrophobicContact CH2-CG2 3.34Å; W36-T97 HydrophobicContact CZ3-CG2 3.48Å; W36-T97 VanDerWaalsContact CZ3-CG2 3.48Å |
| 37 | H | 85.2 | Confident | 83.3 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.7 | 177.5 | -176.9 | -100.2 | 0 | 0 | 0 | 110.8 | P5 P39 T92 | P5-H37 WeakPolarHBondContact CB-O 3.27Å; H37-P39 WeakPolarHBondContact O-CD 3.19Å; H37-T92 PolarHBondContact NE2-O 3.38Å |
| 38 | D | 86.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -108.5 | 103.8 | 174.3 | -165.9 | -19 | 0 | 0 | 0 | 111.6 | P5 R40 L41 G93 V95 | P5-D38 HydrophobicContact CB-CB 4.13Å; P5-D38 HydrophobicContact CG-CB 4.17Å; D38-R40 PolarHBondContact O-N 2.87Å; D38-R40 VanDerWaalsContact OD1-CB 3.26Å; D38-R40 WeakPolarHBondContact OD1-CB 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.32Å; D38-R40 IonicContact OD1-CZ 3.74Å; D38-R40 PolarHBondContact OD1-N 2.92Å; D38-R40 IonicContact OD1-NE 2.89Å; D38-R40 PolarHBondContact OD1-NE 3.05Å; D38-R40 IonicContact OD1-NH2 3.72Å; D38-R40 IonicContact OD2-CZ 3.31Å; D38-R40 VanDerWaalsContact OD2-CZ 3.31Å; D38-R40 IonicContact OD2-NE 3.2Å; D38-R40 PolarHBondContact OD2-NE 3.43Å; D38-R40 IonicContact OD2-NH2 2.68Å; D38-R40 PolarHBondContact OD2-NH2 3.1Å; D38-L41 HydrophobicContact CB-CB 4.43Å; D38-L41 HydrophobicContact CB-CD1 4.08Å; D38-L41 HydrophobicContact CB-CG 4.31Å; D38-L41 PolarHBondContact O-N 2.92Å; D38-G93 PolarHBondContact N-O 2.82Å; D38-V95 HydrophobicContact CB-CG2 4.33Å | ||
| 39 | P | 85 | Confident | 82.1 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 46% | 0.461 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -58.4 | -18.7 | 178.4 | -23.9 | 32.4 | 0 | 0 | 0 | 114.7 | H37 L41 D42 | H37-P39 WeakPolarHBondContact O-CD 3.19Å; P39-L41 VanDerWaalsContact C-N 3.26Å; P39-D42 WeakPolarHBondContact O-CB 3.37Å |
| 40 | R | 85.7 | Confident | 82.1 | Confident | 138 Ų | 138 | 71 Ų | 71 | 52% | 0.521 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -74.5 | -20.3 | 177.1 | -57.5 | 172.2 | -67.6 | 175.7 | -2 | 112.2 | D38 | D38-R40 PolarHBondContact O-N 2.87Å; D38-R40 VanDerWaalsContact OD1-CB 3.26Å; D38-R40 WeakPolarHBondContact OD1-CB 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.32Å; D38-R40 IonicContact OD1-CZ 3.74Å; D38-R40 PolarHBondContact OD1-N 2.92Å; D38-R40 IonicContact OD1-NE 2.89Å; D38-R40 PolarHBondContact OD1-NE 3.05Å; D38-R40 IonicContact OD1-NH2 3.72Å; D38-R40 IonicContact OD2-CZ 3.31Å; D38-R40 VanDerWaalsContact OD2-CZ 3.31Å; D38-R40 IonicContact OD2-NE 3.2Å; D38-R40 PolarHBondContact OD2-NE 3.43Å; D38-R40 IonicContact OD2-NH2 2.68Å; D38-R40 PolarHBondContact OD2-NH2 3.1Å |
| 41 | L | 87.1 | Confident | 82.3 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -101.6 | 20.3 | -179.7 | -62.9 | 173.6 | 0 | 0 | 0 | 112.2 | D38 P39 I43 I62 I89 V95 | D38-L41 HydrophobicContact CB-CB 4.43Å; D38-L41 HydrophobicContact CB-CD1 4.08Å; D38-L41 HydrophobicContact CB-CG 4.31Å; D38-L41 PolarHBondContact O-N 2.92Å; P39-L41 VanDerWaalsContact C-N 3.26Å; L41-I43 VanDerWaalsContact C-N 3.34Å; L41-I43 PolarHBondContact O-N 2.89Å; L41-I62 HydrophobicContact CD1-CB 4.46Å; L41-I62 HydrophobicContact CD1-CG2 4.13Å; L41-I62 HydrophobicContact CD2-CG2 4.22Å; L41-I89 HydrophobicContact CB-CG2 4.02Å; L41-I89 HydrophobicContact CD1-CD1 4.33Å; L41-I89 HydrophobicContact CD2-CD1 4.39Å; L41-I89 WeakPolarHBondContact O-CG2 3.24Å; L41-V95 HydrophobicContact CB-CG2 4.42Å; L41-V95 HydrophobicContact CD1-CG2 3.52Å |
| 42 | D | 87.5 | Confident | 82.5 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 20% | 0.203 | 37% | 0.369 | C | S | . | . | trans | -68.2 | 87.5 | 171.5 | 177.1 | 5.5 | 0 | 0 | 0 | 110.5 | P39 N44 R45 | P39-D42 WeakPolarHBondContact O-CB 3.37Å; D42-N44 VanDerWaalsContact C-N 3.27Å; D42-N44 PolarHBondContact O-N 3.1Å; D42-N44 WeakPolarHBondContact OD1-CB 3.37Å; D42-N44 PolarHBondContact OD1-N 2.71Å; D42-R45 PolarHBondContact O-N 2.84Å; D42-R45 IonicContact OD2-CZ 3.73Å; D42-R45 IonicContact OD2-NE 2.87Å; D42-R45 PolarHBondContact OD2-NE 2.89Å; D42-R45 IonicContact OD2-NH2 3.43Å | ||
| 43 | I | 84.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -76.8 | -9.8 | -177.6 | 63.4 | 177 | 0 | 0 | 0 | 113.3 | L41 R45 L46 G47 A48 L52 I89 G91 | L41-I43 VanDerWaalsContact C-N 3.34Å; L41-I43 PolarHBondContact O-N 2.89Å; I43-R45 PolarHBondContact O-N 3.31Å; I43-L46 HydrophobicContact CG2-CD1 4.47Å; I43-L46 WeakPolarHBondContact O-CA 3.49Å; I43-L46 WeakPolarHBondContact O-CB 3.47Å; I43-L46 PolarHBondContact O-N 2.96Å; I43-G47 PolarHBondContact O-N 2.84Å; I43-A48 HydrophobicContact CB-CB 4.22Å; I43-A48 HydrophobicContact CD1-CB 4.01Å; I43-A48 HydrophobicContact CG1-CB 4.13Å; I43-A48 PolarHBondContact O-N 3.17Å; I43-L52 HydrophobicContact CD1-CB 3.74Å; I43-I89 HydrophobicContact CD1-CG2 4.48Å; I43-I89 HydrophobicContact CG2-CG2 4.33Å; I43-G91 PolarHBondContact N-O 3.39Å |
| 44 | N | 84.1 | Confident | 82.8 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -58.6 | -32 | 171.4 | -76.6 | -22.7 | 0 | 0 | 0 | 111 | D42 L46 G47 A48 G91 | D42-N44 VanDerWaalsContact C-N 3.27Å; D42-N44 PolarHBondContact O-N 3.1Å; D42-N44 WeakPolarHBondContact OD1-CB 3.37Å; D42-N44 PolarHBondContact OD1-N 2.71Å; N44-L46 PolarHBondContact O-N 2.92Å; N44-G47 PolarHBondContact O-N 3.32Å; N44-G47 VanDerWaalsContact O-N 3.1Å; N44-A48 PolarHBondContact OD1-O 3.49Å; N44-G91 VanDerWaalsContact CG-C 3.41Å; N44-G91 PolarHBondContact N-O 2.76Å; N44-G91 VanDerWaalsContact ND2-C 3.26Å; N44-G91 PolarHBondContact ND2-O 3.29Å; N44-G91 VanDerWaalsContact ND2-O 3.14Å; N44-G91 WeakPolarHBondContact OD1-CA 3.36Å |
| 45 | R | 78.6 | Confident | 82.7 | Confident | 200 Ų | 200 | 77.3 Ų | 77.3 | 76% | 0.755 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.9 | 175.3 | -59.4 | -177.3 | -174.1 | -161.1 | -2.5 | 113.5 | D42 I43 | D42-R45 PolarHBondContact O-N 2.84Å; D42-R45 IonicContact OD2-CZ 3.73Å; D42-R45 IonicContact OD2-NE 2.87Å; D42-R45 PolarHBondContact OD2-NE 2.89Å; D42-R45 IonicContact OD2-NH2 3.43Å; I43-R45 PolarHBondContact O-N 3.31Å |
| 46 | L | 80.3 | Confident | 82.5 | Confident | 148 Ų | 148 | 78 Ų | 78 | 78% | 0.775 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -97.1 | 1.1 | 179.1 | -61.1 | 169.5 | 0 | 0 | 0 | 112.4 | I43 N44 | I43-L46 HydrophobicContact CG2-CD1 4.47Å; I43-L46 WeakPolarHBondContact O-CA 3.49Å; I43-L46 WeakPolarHBondContact O-CB 3.47Å; I43-L46 PolarHBondContact O-N 2.96Å; N44-L46 PolarHBondContact O-N 2.92Å |
| 47 | G | 75.1 | Confident | 82.5 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 62% | 0.619 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I43 N44 | I43-G47 PolarHBondContact O-N 2.84Å; N44-G47 PolarHBondContact O-N 3.32Å; N44-G47 VanDerWaalsContact O-N 3.1Å |
| 48 | A | 71.8 | Confident | 82.4 | Confident | 43 Ų | 43 | 85.5 Ų | 85.5 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | trans | -76.7 | 121.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I43 N44 | I43-A48 HydrophobicContact CB-CB 4.22Å; I43-A48 HydrophobicContact CD1-CB 4.01Å; I43-A48 HydrophobicContact CG1-CB 4.13Å; I43-A48 PolarHBondContact O-N 3.17Å; N44-A48 PolarHBondContact OD1-O 3.49Å | ||
| 49 | K | 67.5 | Low | 82.2 | Confident | 190 Ų | 190 | 86.7 Ų | 86.7 | 83% | 0.826 | 44% | 0.437 | S | S | * | . | trans | -85.8 | -24.8 | -162.3 | -79.7 | -173.7 | 175.8 | -178.9 | 0 | 116.4 | ||||
| 50 | E | 81.2 | Confident | 82.1 | Confident | 163 Ų | 163 | 90.9 Ų | 90.9 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -138.2 | -59.7 | -170.8 | -67.8 | -175.2 | 171.7 | 0 | 0 | 113.2 | G91 | E50-G91 PolarHBondContact O-N 3.42Š|
| 51 | E | 86.4 | Confident | 82 | Confident | 76 Ų | 76 | 90.5 Ų | 90.5 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 141.2 | -170.4 | -172.3 | 167.1 | -144.1 | 0 | 0 | 112.2 | R88 I89 | E51-R88 VanDerWaalsContact CD-NE 3.31Å; E51-R88 HydrophobicContact CG-CG 3.88Å; E51-R88 WeakPolarHBondContact OE1-CD 3.19Å; E51-R88 WeakPolarHBondContact OE1-CG 3.25Å; E51-R88 IonicContact OE1-CZ 3.01Å; E51-R88 IonicContact OE1-NE 3.02Å; E51-R88 PolarHBondContact OE1-NE 2.92Å; E51-R88 IonicContact OE1-NH1 2.75Å; E51-R88 PolarHBondContact OE1-NH1 2.86Å; E51-R88 IonicContact OE1-NH2 3.91Å; E51-R88 IonicContact OE2-CZ 2.9Å; E51-R88 IonicContact OE2-NE 3.5Å; E51-R88 IonicContact OE2-NH1 2.89Å; E51-R88 PolarHBondContact OE2-NH1 2.8Å; E51-R88 IonicContact OE2-NH2 3.03Å; E51-R88 PolarHBondContact OE2-NH2 3.02Å; E51-I89 CarbonylContact C-O 3.59Å; E51-I89 WeakPolarHBondContact CA-O 3.31Å |
| 52 | L | 86.9 | Confident | 81.9 | Confident | 79 Ų | 79 | 90.4 Ų | 90.4 | 41% | 0.414 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.6 | 170.9 | -176.7 | 69.3 | 0 | 0 | 0 | 108.7 | I43 V54 R88 I89 | I43-L52 HydrophobicContact CD1-CB 3.74Å; L52-V54 HydrophobicContact CD2-CG1 4.2Å; L52-V54 HydrophobicContact CD2-CG2 4.36Å; L52-V54 HydrophobicContact CG-CG1 4.25Å; L52-V54 HydrophobicContact CG-CG2 4.31Å; L52-R88 WeakPolarHBondContact O-CA 3.48Å; L52-I89 PolarHBondContact N-O 3.3Å; L52-I89 PolarHBondContact O-N 3.24Å |
| 53 | T | 87.6 | Confident | 81.7 | Confident | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.8 | 168.4 | -53.7 | 0 | 0 | 0 | 0 | 108.2 | L87 R88 | T53-L87 WeakPolarHBondContact CA-O 3.33Å; T53-R88 HydrophobicContact CG2-CG 4.39Å; T53-R88 WeakPolarHBondContact OG1-CG 3.37Å; T53-R88 PolarHBondContact OG1-NE 3.03Å; T53-R88 VanDerWaalsContact OG1-NE 3.14Å |
| 54 | V | 84.4 | Confident | 81.5 | Confident | 24 Ų | 24 | 94 Ų | 94 | 15% | 0.145 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.3 | -175.5 | -105.4 | 0 | 0 | 0 | 0 | 110.5 | L52 Y58 L87 I89 | L52-V54 HydrophobicContact CD2-CG1 4.2Å; L52-V54 HydrophobicContact CD2-CG2 4.36Å; L52-V54 HydrophobicContact CG-CG1 4.25Å; L52-V54 HydrophobicContact CG-CG2 4.31Å; V54-Y58 HydrophobicContact CB-CD2 3.79Å; V54-Y58 HydrophobicContact CB-CE2 4.37Å; V54-Y58 HydrophobicContact CB-CG 4.36Å; V54-Y58 HydrophobicContact CG1-CD2 3.59Å; V54-Y58 HydrophobicContact CG1-CE2 3.72Å; V54-Y58 HydrophobicContact CG1-CG 4.2Å; V54-L87 HydrophobicContact CG2-CB 4.05Å; V54-L87 HydrophobicContact CG2-CD2 3.53Å; V54-L87 HydrophobicContact CG2-CG 4.35Å; V54-L87 PolarHBondContact N-O 3.36Å; V54-L87 PolarHBondContact O-N 2.67Å; V54-L87 VanDerWaalsContact O-N 3.14Å; V54-I89 HydrophobicContact CG2-CD1 4.3Å |
| 55 | S | 83.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 90.7 Ų | 90.7 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 155.5 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | E57 Y58 | S55-E57 PolarHBondContact O-N 2.92Å; S55-Y58 PolarHBondContact O-N 2.98Å |
| 56 | W | 80.1 | Confident | 81.1 | Confident | 58 Ų | 58 | 86.5 Ų | 86.5 | 22% | 0.22 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -53.1 | -25.2 | 175.1 | 78.7 | -83.8 | 0 | 0 | 0 | 113.2 | Y58 T59 H83 S85 | W56-Y58 PolarHBondContact O-N 2.88Å; W56-Y58 VanDerWaalsContact O-N 3.1Å; W56-T59 VanDerWaalsContact O-CB 3.27Å; W56-T59 WeakPolarHBondContact O-CB 3.44Å; W56-T59 WeakPolarHBondContact O-CG2 3.46Å; W56-T59 PolarHBondContact O-N 2.88Å; W56-T59 PolarHBondContact O-OG1 3.44Å; W56-H83 HydrophobicContact CB-CB 4.22Å; W56-H83 HydrophobicContact CD2-CB 3.66Å; W56-H83 AromaticContact CD2-CD2 3.91Å; W56-H83 AromaticContact CD2-CG 3.79Å; W56-H83 AromaticContact CE2-CD2 3.61Å; W56-H83 AromaticContact CE2-CG 3.86Å; W56-H83 HydrophobicContact CE3-CB 4.4Å; W56-H83 HydrophobicContact CG-CB 3.52Å; W56-H83 AromaticContact CH2-CD2 3.68Å; W56-H83 AromaticContact CH2-NE2 3.89Å; W56-H83 AromaticContact CZ2-CD2 3.5Å; W56-H83 VanDerWaalsContact CZ2-CD2 3.5Å; W56-H83 WeakPolarHBondContact CZ2-CD2 3.44Å; W56-H83 AromaticContact CZ3-CD2 3.99Å; W56-S85 WeakPolarHBondContact CB-OG 3.27Å |
| 57 | E | 82.5 | Confident | 81.1 | Confident | 117 Ų | 117 | 80.9 Ų | 80.9 | 55% | 0.547 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -55.2 | -32.7 | -176.8 | -64.7 | 175.3 | 155 | 0 | 0 | 112.8 | S55 T59 | S55-E57 PolarHBondContact O-N 2.92Å; E57-T59 VanDerWaalsContact C-N 3.25Å; E57-T59 PolarHBondContact O-N 3.38Å |
| 58 | Y | 84.8 | Confident | 81.4 | Confident | 120 Ų | 120 | 81.4 Ų | 81.4 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -74.5 | -9.8 | 178.1 | -67.9 | -81.9 | 0 | 0 | 0 | 114 | V54 S55 W56 K60 D61 I62 | V54-Y58 HydrophobicContact CB-CD2 3.79Å; V54-Y58 HydrophobicContact CB-CE2 4.37Å; V54-Y58 HydrophobicContact CB-CG 4.36Å; V54-Y58 HydrophobicContact CG1-CD2 3.59Å; V54-Y58 HydrophobicContact CG1-CE2 3.72Å; V54-Y58 HydrophobicContact CG1-CG 4.2Å; S55-Y58 PolarHBondContact O-N 2.98Å; W56-Y58 PolarHBondContact O-N 2.88Å; W56-Y58 VanDerWaalsContact O-N 3.1Å; Y58-K60 PolarHBondContact O-N 3.22Å; Y58-K60 VanDerWaalsContact O-N 3.15Å; Y58-D61 PolarHBondContact O-N 3.3Å; Y58-I62 PolarHBondContact O-N 2.95Å |
| 59 | T | 81.1 | Confident | 82.1 | Confident | 29 Ų | 29 | 80 Ų | 80 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -62.1 | -20.5 | 175.5 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | W56 E57 D61 L64 L87 | W56-T59 VanDerWaalsContact O-CB 3.27Å; W56-T59 WeakPolarHBondContact O-CB 3.44Å; W56-T59 WeakPolarHBondContact O-CG2 3.46Å; W56-T59 PolarHBondContact O-N 2.88Å; W56-T59 PolarHBondContact O-OG1 3.44Å; E57-T59 VanDerWaalsContact C-N 3.25Å; E57-T59 PolarHBondContact O-N 3.38Å; T59-D61 VanDerWaalsContact C-N 3.33Å; T59-L64 HydrophobicContact CG2-CD1 4.37Å; T59-L64 HydrophobicContact CG2-CD2 4.43Å; T59-L87 HydrophobicContact CG2-CD1 3.79Å |
| 60 | K | 82.4 | Confident | 82.8 | Confident | 159 Ų | 159 | 73.5 Ų | 73.5 | 69% | 0.691 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -75.5 | -23.9 | 175.5 | -61.4 | 178.2 | -176.1 | 174.7 | 0 | 113 | Y58 | Y58-K60 PolarHBondContact O-N 3.22Å; Y58-K60 VanDerWaalsContact O-N 3.15Å |
| 61 | D | 85.4 | Confident | 82.9 | Confident | 129 Ų | 129 | 67 Ų | 67 | 69% | 0.69 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -12.7 | -174.4 | -60.2 | -39.9 | 0 | 0 | 0 | 112.7 | Y58 T59 | Y58-D61 PolarHBondContact O-N 3.3Å; T59-D61 VanDerWaalsContact C-N 3.33Å |
| 62 | I | 84.8 | Confident | 82.7 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -111.8 | 159.5 | 178.5 | 68.6 | 165.7 | 0 | 0 | 0 | 111 | W36 L41 Y58 L87 V95 | W36-I62 HydrophobicContact CH2-CD1 4.4Å; W36-I62 HydrophobicContact CZ2-CD1 4.01Å; L41-I62 HydrophobicContact CD1-CB 4.46Å; L41-I62 HydrophobicContact CD1-CG2 4.13Å; L41-I62 HydrophobicContact CD2-CG2 4.22Å; Y58-I62 PolarHBondContact O-N 2.95Å; I62-L87 HydrophobicContact CD1-CD1 3.23Å; I62-L87 HydrophobicContact CD1-CD2 3.83Å; I62-L87 HydrophobicContact CD1-CG 4.14Å; I62-L87 HydrophobicContact CG1-CD1 4.39Å; I62-V95 HydrophobicContact CD1-CG1 4.36Å |
| 63 | W | 82.4 | Confident | 82.3 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 27% | 0.273 | 34% | 0.339 | S | S | . | . | trans | -71.4 | 133.3 | 169.8 | 179.8 | 81.8 | 0 | 0 | 0 | 110.1 | I4 P5 W36 P65 | I4-W63 HydrophobicContact CG2-CH2 3.74Å; I4-W63 HydrophobicContact CG2-CZ2 3.63Å; I4-W63 HydrophobicContact CG2-CZ3 4.47Å; P5-W63 HydrophobicContact CG-CD2 4.34Å; P5-W63 HydrophobicContact CG-CE3 3.56Å; P5-W63 HydrophobicContact CG-CZ3 3.68Å; W36-W63 HydrophobicContact CG-CZ3 4.3Å; W36-W63 VanDerWaalsContact CZ2-O 3.28Å; W36-W63 WeakPolarHBondContact CZ2-O 3.11Å; W36-W63 AromaticContact NE1-CE3 3.98Å; W63-P65 HydrophobicContact CH2-CB 3.79Å; W63-P65 HydrophobicContact CZ2-CB 4.43Å; W63-P65 HydrophobicContact CZ3-CB 4.2Å | ||
| 64 | L | 80.4 | Confident | 81.8 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | trans | -114.7 | 146.7 | 170.5 | -72.3 | 170.7 | 0 | 0 | 0 | 109.6 | W36 T59 T97 | W36-L64 HydrophobicContact CH2-CD2 3.61Å; W36-L64 HydrophobicContact CZ2-CD2 4.26Å; W36-L64 HydrophobicContact CZ3-CD2 4.4Å; T59-L64 HydrophobicContact CG2-CD1 4.37Å; T59-L64 HydrophobicContact CG2-CD2 4.43Å; L64-T97 HydrophobicContact CD2-CG2 4.15Å | ||
| 65 | P | 76.6 | Confident | 81.5 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | trans | -67.5 | 132.4 | 170.1 | 27.6 | -33.6 | 0 | 0 | 0 | 111.3 | P8 Q34 W36 W63 T67 | P8-P65 HydrophobicContact CB-CB 4.03Å; P8-P65 HydrophobicContact CB-CG 4.22Å; P8-P65 HydrophobicContact CG-CB 3.94Å; Q34-P65 HydrophobicContact CB-CG 4.41Å; W36-P65 HydrophobicContact CE3-CG 4.34Å; W36-P65 HydrophobicContact CZ3-CG 4.45Å; W63-P65 HydrophobicContact CH2-CB 3.79Å; W63-P65 HydrophobicContact CZ2-CB 4.43Å; W63-P65 HydrophobicContact CZ3-CB 4.2Å; P65-T67 VanDerWaalsContact C-N 3.32Å; P65-T67 PolarHBondContact O-N 3.29Å | ||
| 66 | D | 78.6 | Confident | 80.9 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 60% | 0.599 | 36% | 0.356 | S | S | * | . | trans | -73.4 | 85 | 175.6 | -64.6 | -33.3 | 0 | 0 | 0 | 109.2 | S127 C128 | D66-S127 WeakPolarHBondContact O-CA 3.5Å; D66-S127 WeakPolarHBondContact O-CB 3.18Å; D66-S127 PolarHBondContact O-OG 3.3Å; D66-C128 PolarHBondContact O-N 3.02Å | ||
| 67 | T | 80.1 | Confident | 80.4 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | L32 Q34 P65 I125 E126 | L32-T67 HydrophobicContact CD2-CG2 4.17Å; Q34-T67 PolarHBondContact NE2-OG1 3.11Å; P65-T67 VanDerWaalsContact C-N 3.32Å; P65-T67 PolarHBondContact O-N 3.29Å; T67-I125 HydrophobicContact CG2-CG2 3.33Å; T67-E126 CarbonylContact C-O 3.55Å; T67-E126 VanDerWaalsContact CA-O 3.27Å; T67-E126 WeakPolarHBondContact CA-O 3.36Å |
| 68 | F | 81.9 | Confident | 79.6 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 31% | 0.311 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 168.2 | -179.2 | 68.2 | -74.9 | 0 | 0 | 0 | 110.8 | P70 E126 C128 | F68-P70 HydrophobicContact CD2-CG 4.34Å; F68-P70 HydrophobicContact CE2-CB 4.44Å; F68-P70 HydrophobicContact CE2-CG 3.89Å; F68-E126 HydrophobicContact CD1-CB 4.17Å; F68-E126 WeakPolarHBondContact CD1-O 3.43Å; F68-E126 HydrophobicContact CE1-CB 3.44Å; F68-E126 VanDerWaalsContact CE1-CB 3.44Å; F68-E126 HydrophobicContact CE2-CB 3.96Å; F68-E126 HydrophobicContact CZ-CB 3.36Å; F68-E126 HydrophobicContact CZ-CG 4.27Å; F68-E126 WeakPolarHBondContact CZ-OE2 3.27Å; F68-E126 PolarHBondContact N-O 3.1Å; F68-E126 PolarHBondContact O-N 3.34Å; F68-C128 HydrophobicContact CE1-CB 4.27Å; F68-C128 WeakPolarHBondContact CE1-SG 3.28Å; F68-C128 WeakPolarHBondContact CZ-SG 3.37Å |
| 69 | F | 86 | Confident | 78.3 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 5% | 0.053 | 37% | 0.365 | C | S | . | . | trans | -117.1 | 98.3 | -174.1 | -53.3 | -81.4 | 0 | 0 | 0 | 109.3 | F30 L32 N71 E72 L101 V103 L123 E124 I125 | F30-F69 HydrophobicContact CE2-CE1 4.04Å; F30-F69 HydrophobicContact CE2-CZ 4.11Å; F30-F69 HydrophobicContact CZ-CD1 4.49Å; F30-F69 AromaticContact CZ-CE1 3.55Å; F30-F69 HydrophobicContact CZ-CE1 3.55Å; F30-F69 AromaticContact CZ-CZ 3.58Å; F30-F69 HydrophobicContact CZ-CZ 3.58Å; L32-F69 HydrophobicContact CD2-CZ 4.19Å; F69-N71 PolarHBondContact O-N 3.16Å; F69-N71 VanDerWaalsContact O-N 3.14Å; F69-E72 HydrophobicContact CB-CB 3.88Å; F69-E72 HydrophobicContact CB-CG 4.33Å; F69-E72 WeakPolarHBondContact CD2-OE2 3.38Å; F69-E72 WeakPolarHBondContact O-CB 3.45Å; F69-E72 WeakPolarHBondContact O-CG 3.39Å; F69-E72 PolarHBondContact O-N 3.19Å; F69-L101 HydrophobicContact CE2-CD1 3.91Å; F69-L101 HydrophobicContact CZ-CD1 3.59Å; F69-V103 HydrophobicContact CD2-CG2 4.06Å; F69-V103 HydrophobicContact CE2-CG2 4.03Å; F69-V103 HydrophobicContact CG-CG2 4.42Å; F69-V103 HydrophobicContact CZ-CG2 4.35Å; F69-L123 HydrophobicContact CD1-CD1 4.25Å; F69-L123 HydrophobicContact CD1-CD2 3.86Å; F69-L123 HydrophobicContact CD1-CG 4.07Å; F69-L123 HydrophobicContact CE1-CD2 3.97Å; F69-E124 WeakPolarHBondContact CA-O 3.38Å; F69-I125 HydrophobicContact CD1-CG1 3.94Å; F69-I125 HydrophobicContact CE1-CD1 4.09Å; F69-I125 HydrophobicContact CE1-CG1 3.82Å; F69-I125 HydrophobicContact CE1-CG2 4.34Å | ||
| 70 | P | 81.9 | Confident | 76.7 | Confident | 54 Ų | 54 | 79 Ų | 79 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33.6 | -172 | -23.5 | 30.2 | 0 | 0 | 0 | 114.2 | F68 E124 E126 | F68-P70 HydrophobicContact CD2-CG 4.34Å; F68-P70 HydrophobicContact CE2-CB 4.44Å; F68-P70 HydrophobicContact CE2-CG 3.89Å; P70-E124 VanDerWaalsContact CD-O 3.27Å; P70-E124 WeakPolarHBondContact CD-O 3.42Å; P70-E124 HydrophobicContact CG-CB 4.07Å; P70-E126 HydrophobicContact CG-CB 3.94Å; P70-E126 VanDerWaalsContact CG-CD 3.42Å; P70-E126 HydrophobicContact CG-CG 3.45Å; P70-E126 VanDerWaalsContact CG-CG 3.45Å |
| 71 | N | 83 | Confident | 75.3 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 15% | 0.15 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 13.9 | -178.5 | 70.1 | -26.9 | 0 | 0 | 0 | 113.5 | F69 A105 S106 T122 E124 | F69-N71 PolarHBondContact O-N 3.16Å; F69-N71 VanDerWaalsContact O-N 3.14Å; N71-A105 VanDerWaalsContact O-CA 3.32Å; N71-A105 WeakPolarHBondContact O-CA 3.34Å; N71-A105 WeakPolarHBondContact O-CB 3.4Å; N71-S106 PolarHBondContact O-N 2.82Å; N71-S106 VanDerWaalsContact O-N 3.12Å; N71-T122 PolarHBondContact ND2-O 2.81Å; N71-E124 PolarHBondContact OD1-N 3.24Å; N71-E124 VanDerWaalsContact OD1-N 3.1Å |
| 72 | E | 81.9 | Confident | 73.9 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 34% | 0.341 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 135.8 | 172.4 | 80.2 | -168.6 | -177.6 | 0 | 0 | 111.2 | F69 S75 V103 | F69-E72 HydrophobicContact CB-CB 3.88Å; F69-E72 HydrophobicContact CB-CG 4.33Å; F69-E72 WeakPolarHBondContact CD2-OE2 3.38Å; F69-E72 WeakPolarHBondContact O-CB 3.45Å; F69-E72 WeakPolarHBondContact O-CG 3.39Å; F69-E72 PolarHBondContact O-N 3.19Å; E72-S75 WeakPolarHBondContact OE2-CB 3.28Å; E72-S75 PolarHBondContact OE2-OG 2.92Å; E72-V103 HydrophobicContact CB-CG1 3.97Å |
| 73 | K | 79.7 | Confident | 72.8 | Confident | 113 Ų | 113 | 77.7 Ų | 77.7 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -35.7 | 161.9 | -75.9 | -173.4 | 179.9 | 168.3 | 0 | 111.2 | D25 T104 | D25-K73 VanDerWaalsContact OD1-CD 3.23Å; D25-K73 WeakPolarHBondContact OD1-CD 3.38Å; D25-K73 WeakPolarHBondContact OD1-CE 3.17Å; D25-K73 IonicContact OD1-NZ 2.65Å; D25-K73 PolarHBondContact OD1-NZ 2.98Å; D25-K73 WeakPolarHBondContact OD2-CD 2.99Å; D25-K73 IonicContact OD2-NZ 3.01Å; D25-K73 PolarHBondContact OD2-NZ 2.97Å; K73-T104 PolarHBondContact N-O 2.77Å |
| 74 | K | 77.3 | Confident | 72.1 | Confident | 126 Ų | 126 | 77.8 Ų | 77.8 | 55% | 0.548 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137.1 | 177.9 | -63.9 | -176.2 | -178.8 | 175.5 | 0 | 109.4 | Y76 T104 | K74-Y76 HydrophobicContact CB-CE2 4.2Å; K74-T104 PolarHBondContact N-O 3.45Å; K74-T104 PolarHBondContact O-N 2.83Å |
| 75 | S | 76.6 | Confident | 71.9 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.5 | 171.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | E72 | E72-S75 WeakPolarHBondContact OE2-CB 3.28Å; E72-S75 PolarHBondContact OE2-OG 2.92Å |
| 76 | Y | 72.1 | Confident | 72.1 | Confident | 145 Ų | 145 | 79.5 Ų | 79.5 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.7 | 179.3 | -67.6 | -82.7 | 0 | 0 | 0 | 110.3 | K74 T102 | K74-Y76 HydrophobicContact CB-CE2 4.2Å; Y76-T102 PolarHBondContact N-O 2.83Å; Y76-T102 PolarHBondContact O-N 2.73Å; Y76-T102 VanDerWaalsContact O-N 3.08Å |
| 77 | F | 69.3 | Low | 72.6 | Confident | 119 Ų | 119 | 74.2 Ų | 74.2 | 52% | 0.522 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 128.1 | 168 | -64.3 | -88.7 | 0 | 0 | 0 | 109.4 | Q79 L101 | F77-Q79 PolarHBondContact O-N 2.81Å; F77-L101 HydrophobicContact CD1-CD2 3.19Å; F77-L101 HydrophobicContact CE1-CD2 3.38Å; F77-L101 HydrophobicContact CG-CD2 4.07Å; F77-L101 HydrophobicContact CZ-CD2 4.36Å |
| 78 | H | 65.7 | Low | 73 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 24% | 0.236 | 39% | 0.391 | C | S | . | . | trans | -71.5 | 114.2 | 175.9 | -77.2 | -81.7 | 0 | 0 | 0 | 111 | D29 T102 | D29-H78 IonicContact OD1-NE2 3.58Å; D29-H78 IonicContact OD2-NE2 3.58Å; H78-T102 PolarHBondContact CE1-OG1 3.47Å; H78-T102 PolarHBondContact NE2-OG1 3.07Å | ||
| 79 | Q | 56.4 | Low | 73.3 | Confident | 142 Ų | 142 | 74.4 Ų | 74.4 | 66% | 0.664 | 38% | 0.378 | S | S | * | . | trans | -104.2 | -1.2 | -179.2 | -68.6 | -175.8 | -1 | 0 | 0 | 115 | F77 | F77-Q79 PolarHBondContact O-N 2.81Š| ||
| 80 | A | 48.3 | Very low | 73.5 | Confident | 83 Ų | 83 | 78.1 Ų | 78.1 | 69% | 0.686 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -119.5 | 134.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 81 | T | 52.3 | Low | 73.7 | Confident | 147 Ų | 147 | 75.7 Ų | 75.7 | 90% | 0.902 | 38% | 0.379 | S | S | * | . | S | Bend | cis | -91.3 | -8.9 | -3.7 | 41.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 82 | T | 57.1 | Low | 73.9 | Confident | 92 Ų | 92 | 78 Ų | 78 | 56% | 0.564 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -135.5 | 153 | 164.8 | 32 | 0 | 0 | 0 | 0 | 106.9 | N84 | T82-N84 PolarHBondContact O-N 3.08Š|
| 83 | H | 61.6 | Low | 74.1 | Confident | 54 Ų | 54 | 74.5 Ų | 74.5 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | trans | -54 | 108.8 | 165.4 | -99.6 | -84.6 | 0 | 0 | 0 | 106.3 | W56 S85 | W56-H83 HydrophobicContact CB-CB 4.22Å; W56-H83 HydrophobicContact CD2-CB 3.66Å; W56-H83 AromaticContact CD2-CD2 3.91Å; W56-H83 AromaticContact CD2-CG 3.79Å; W56-H83 AromaticContact CE2-CD2 3.61Å; W56-H83 AromaticContact CE2-CG 3.86Å; W56-H83 HydrophobicContact CE3-CB 4.4Å; W56-H83 HydrophobicContact CG-CB 3.52Å; W56-H83 AromaticContact CH2-CD2 3.68Å; W56-H83 AromaticContact CH2-NE2 3.89Å; W56-H83 AromaticContact CZ2-CD2 3.5Å; W56-H83 VanDerWaalsContact CZ2-CD2 3.5Å; W56-H83 WeakPolarHBondContact CZ2-CD2 3.44Å; W56-H83 AromaticContact CZ3-CD2 3.99Å; H83-S85 PolarHBondContact O-N 3.31Å | ||
| 84 | N | 67.7 | Low | 74.4 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | trans | -75.1 | 55.7 | -179 | -95.7 | -25.2 | 0 | 0 | 0 | 109.3 | T82 R100 | T82-N84 PolarHBondContact O-N 3.08Å; N84-R100 HydrophobicContact CB-CB 4.29Å; N84-R100 PolarHBondContact O-N 2.98Å | ||
| 85 | S | 75 | Confident | 75 | Confident | 27 Ų | 27 | 65.5 Ų | 65.5 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.2 | 176.7 | 43.8 | 0 | 0 | 0 | 0 | 110 | W56 H83 S98 | W56-S85 WeakPolarHBondContact CB-OG 3.27Å; H83-S85 PolarHBondContact O-N 3.31Å; S85-S98 WeakPolarHBondContact CA-O 3.43Å; S85-S98 WeakPolarHBondContact CB-O 3.19Å |
| 86 | F | 81.9 | Confident | 75.5 | Confident | 76 Ų | 76 | 66 Ų | 66 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150.5 | 171.7 | 66.2 | -100.1 | 0 | 0 | 0 | 109 | L96 T97 S98 | F86-L96 HydrophobicContact CE2-CD2 4.07Å; F86-L96 HydrophobicContact CE2-CG 4.35Å; F86-T97 WeakPolarHBondContact O-CA 3.37Å; F86-S98 PolarHBondContact N-O 3.32Å; F86-S98 PolarHBondContact O-N 2.89Å |
| 87 | L | 87.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.7 | 172.9 | -164.6 | 108.1 | 0 | 0 | 0 | 108.4 | T53 V54 T59 I62 I89 V95 L96 T97 | T53-L87 WeakPolarHBondContact CA-O 3.33Å; V54-L87 HydrophobicContact CG2-CB 4.05Å; V54-L87 HydrophobicContact CG2-CD2 3.53Å; V54-L87 HydrophobicContact CG2-CG 4.35Å; V54-L87 PolarHBondContact N-O 3.36Å; V54-L87 PolarHBondContact O-N 2.67Å; V54-L87 VanDerWaalsContact O-N 3.14Å; T59-L87 HydrophobicContact CG2-CD1 3.79Å; I62-L87 HydrophobicContact CD1-CD1 3.23Å; I62-L87 HydrophobicContact CD1-CD2 3.83Å; I62-L87 HydrophobicContact CD1-CG 4.14Å; I62-L87 HydrophobicContact CG1-CD1 4.39Å; L87-I89 HydrophobicContact CD2-CD1 3.65Å; L87-I89 HydrophobicContact CD2-CG1 3.68Å; L87-V95 HydrophobicContact CD1-CG1 4.14Å; L87-V95 HydrophobicContact CD2-CG1 4.45Å; L87-V95 HydrophobicContact CG-CG1 4.18Å; L87-L96 CarbonylContact C-O 3.58Å; L87-T97 HydrophobicContact CD1-CG2 3.53Å; L87-T97 HydrophobicContact CG-CG2 4.41Å |
| 88 | R | 89.3 | Confident | 77 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.8 | 178.5 | -129.8 | 170.1 | -171.3 | -136 | 1.7 | 109.3 | E51 L52 T53 V95 L96 | E51-R88 VanDerWaalsContact CD-NE 3.31Å; E51-R88 HydrophobicContact CG-CG 3.88Å; E51-R88 WeakPolarHBondContact OE1-CD 3.19Å; E51-R88 WeakPolarHBondContact OE1-CG 3.25Å; E51-R88 IonicContact OE1-CZ 3.01Å; E51-R88 IonicContact OE1-NE 3.02Å; E51-R88 PolarHBondContact OE1-NE 2.92Å; E51-R88 IonicContact OE1-NH1 2.75Å; E51-R88 PolarHBondContact OE1-NH1 2.86Å; E51-R88 IonicContact OE1-NH2 3.91Å; E51-R88 IonicContact OE2-CZ 2.9Å; E51-R88 IonicContact OE2-NE 3.5Å; E51-R88 IonicContact OE2-NH1 2.89Å; E51-R88 PolarHBondContact OE2-NH1 2.8Å; E51-R88 IonicContact OE2-NH2 3.03Å; E51-R88 PolarHBondContact OE2-NH2 3.02Å; L52-R88 WeakPolarHBondContact O-CA 3.48Å; T53-R88 HydrophobicContact CG2-CG 4.39Å; T53-R88 WeakPolarHBondContact OG1-CG 3.37Å; T53-R88 PolarHBondContact OG1-NE 3.03Å; T53-R88 VanDerWaalsContact OG1-NE 3.14Å; R88-V95 CarbonylContact O-C 3.57Å; R88-V95 VanDerWaalsContact O-CA 3.32Å; R88-V95 WeakPolarHBondContact O-CA 3.27Å; R88-L96 HydrophobicContact CB-CB 4.04Å; R88-L96 PolarHBondContact N-O 2.68Å; R88-L96 PolarHBondContact O-N 2.99Å |
| 89 | I | 89.1 | Confident | 77.9 | Confident | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 114.5 | 178.9 | -55.1 | 172.8 | 0 | 0 | 0 | 107.1 | L41 I43 E51 L52 V54 L87 E94 V95 | L41-I89 HydrophobicContact CB-CG2 4.02Å; L41-I89 HydrophobicContact CD1-CD1 4.33Å; L41-I89 HydrophobicContact CD2-CD1 4.39Å; L41-I89 WeakPolarHBondContact O-CG2 3.24Å; I43-I89 HydrophobicContact CD1-CG2 4.48Å; I43-I89 HydrophobicContact CG2-CG2 4.33Å; E51-I89 CarbonylContact C-O 3.59Å; E51-I89 WeakPolarHBondContact CA-O 3.31Å; L52-I89 PolarHBondContact N-O 3.3Å; L52-I89 PolarHBondContact O-N 3.24Å; V54-I89 HydrophobicContact CG2-CD1 4.3Å; L87-I89 HydrophobicContact CD2-CD1 3.65Å; L87-I89 HydrophobicContact CD2-CG1 3.68Å; I89-E94 CarbonylContact C-O 3.56Å; I89-E94 WeakPolarHBondContact CA-O 3.39Å; I89-V95 HydrophobicContact CG1-CG1 4.37Å; I89-V95 HydrophobicContact CG1-CG2 4.38Å |
| 90 | K | 89 | Confident | 79.3 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 39% | 0.387 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 156.6 | 171.4 | -64.7 | -168.4 | -165.7 | 155.7 | 0 | 110.5 | T92 G93 E94 | K90-T92 PolarHBondContact O-N 2.78Å; K90-G93 PolarHBondContact O-N 2.78Å; K90-E94 HydrophobicContact CB-CB 4.17Å; K90-E94 HydrophobicContact CD-CB 4.4Å; K90-E94 VanDerWaalsContact CD-OE2 3.3Å; K90-E94 WeakPolarHBondContact CD-OE2 3.02Å; K90-E94 WeakPolarHBondContact CE-OE2 3.43Å; K90-E94 HydrophobicContact CG-CB 4.43Å; K90-E94 PolarHBondContact N-O 2.04Å; K90-E94 IonicContact NZ-OE1 3.4Å; K90-E94 PolarHBondContact NZ-OE1 3.42Å; K90-E94 IonicContact NZ-OE2 2.74Å; K90-E94 PolarHBondContact NZ-OE2 3.16Å |
| 91 | G | 86.8 | Confident | 81.1 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | I43 N44 E50 G93 | I43-G91 PolarHBondContact N-O 3.39Å; N44-G91 VanDerWaalsContact CG-C 3.41Å; N44-G91 PolarHBondContact N-O 2.76Å; N44-G91 VanDerWaalsContact ND2-C 3.26Å; N44-G91 PolarHBondContact ND2-O 3.29Å; N44-G91 VanDerWaalsContact ND2-O 3.14Å; N44-G91 WeakPolarHBondContact OD1-CA 3.36Å; E50-G91 PolarHBondContact O-N 3.42Å; G91-G93 VanDerWaalsContact C-N 3.31Å; G91-G93 PolarHBondContact O-N 3.16Å |
| 92 | T | 85.8 | Confident | 82.7 | Confident | 76 Ų | 76 | 40.5 Ų | 40.5 | 47% | 0.466 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4.6 | -178.1 | 55 | 0 | 0 | 0 | 0 | 115.2 | H37 K90 | H37-T92 PolarHBondContact NE2-O 3.38Å; K90-T92 PolarHBondContact O-N 2.78Å |
| 93 | G | 86.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 87.3 | 10.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D38 K90 G91 | D38-G93 PolarHBondContact N-O 2.82Å; K90-G93 PolarHBondContact O-N 2.78Å; G91-G93 VanDerWaalsContact C-N 3.31Å; G91-G93 PolarHBondContact O-N 3.16Å |
| 94 | E | 87.6 | Confident | 85.3 | Confident | 49 Ų | 49 | 34.4 Ų | 34.4 | 23% | 0.229 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.9 | 169.8 | -171.9 | -175.9 | 173.2 | 0 | 0 | 109.7 | N35 I89 K90 | N35-E94 PolarHBondContact ND2-OE1 2.74Å; N35-E94 WeakPolarHBondContact OD1-CG 3.39Å; N35-E94 PolarHBondContact OD1-OE1 3.1Å; I89-E94 CarbonylContact C-O 3.56Å; I89-E94 WeakPolarHBondContact CA-O 3.39Å; K90-E94 HydrophobicContact CB-CB 4.17Å; K90-E94 HydrophobicContact CD-CB 4.4Å; K90-E94 VanDerWaalsContact CD-OE2 3.3Å; K90-E94 WeakPolarHBondContact CD-OE2 3.02Å; K90-E94 WeakPolarHBondContact CE-OE2 3.43Å; K90-E94 HydrophobicContact CG-CB 4.43Å; K90-E94 PolarHBondContact N-O 2.04Å; K90-E94 IonicContact NZ-OE1 3.4Å; K90-E94 PolarHBondContact NZ-OE1 3.42Å; K90-E94 IonicContact NZ-OE2 2.74Å; K90-E94 PolarHBondContact NZ-OE2 3.16Å |
| 95 | V | 88.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.5 | -178.6 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | N35 W36 D38 L41 I62 L87 R88 I89 | N35-V95 VanDerWaalsContact CA-O 3.28Å; N35-V95 WeakPolarHBondContact CA-O 3.2Å; N35-V95 PolarHBondContact OD1-O 3.14Å; N35-V95 VanDerWaalsContact OD1-O 3.09Å; W36-V95 HydrophobicContact CD2-CB 4.02Å; W36-V95 HydrophobicContact CD2-CG1 4.46Å; W36-V95 HydrophobicContact CE3-CB 4.43Å; W36-V95 HydrophobicContact CH2-CB 4.15Å; W36-V95 HydrophobicContact CH2-CG1 3.53Å; W36-V95 HydrophobicContact CZ2-CB 3.73Å; W36-V95 HydrophobicContact CZ2-CG1 3.38Å; W36-V95 HydrophobicContact CZ2-CG2 4.3Å; W36-V95 HydrophobicContact CZ3-CB 4.49Å; W36-V95 HydrophobicContact CZ3-CG1 4.15Å; W36-V95 PolarHBondContact N-O 3.02Å; W36-V95 PolarHBondContact O-N 2.8Å; D38-V95 HydrophobicContact CB-CG2 4.33Å; L41-V95 HydrophobicContact CB-CG2 4.42Å; L41-V95 HydrophobicContact CD1-CG2 3.52Å; I62-V95 HydrophobicContact CD1-CG1 4.36Å; L87-V95 HydrophobicContact CD1-CG1 4.14Å; L87-V95 HydrophobicContact CD2-CG1 4.45Å; L87-V95 HydrophobicContact CG-CG1 4.18Å; R88-V95 CarbonylContact O-C 3.57Å; R88-V95 VanDerWaalsContact O-CA 3.32Å; R88-V95 WeakPolarHBondContact O-CA 3.27Å; I89-V95 HydrophobicContact CG1-CG1 4.37Å; I89-V95 HydrophobicContact CG1-CG2 4.38Å |
| 96 | L | 88.2 | Confident | 86.8 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 28% | 0.277 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.7 | 172.5 | 177.4 | 69.4 | 0 | 0 | 0 | 109.5 | Q34 N35 F86 L87 R88 | Q34-L96 CarbonylContact O-C 3.59Å; Q34-L96 WeakPolarHBondContact O-CA 3.33Å; N35-L96 HydrophobicContact CB-CD1 4.3Å; F86-L96 HydrophobicContact CE2-CD2 4.07Å; F86-L96 HydrophobicContact CE2-CG 4.35Å; L87-L96 CarbonylContact C-O 3.58Å; R88-L96 HydrophobicContact CB-CB 4.04Å; R88-L96 PolarHBondContact N-O 2.68Å; R88-L96 PolarHBondContact O-N 2.99Å |
| 97 | T | 87.3 | Confident | 87 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 152.5 | 166.1 | 66.2 | 0 | 0 | 0 | 0 | 110 | R33 Q34 W36 L64 F86 L87 | R33-T97 CarbonylContact C-O 3.53Å; R33-T97 WeakPolarHBondContact CA-O 3.45Å; Q34-T97 WeakPolarHBondContact CB-OG1 3.44Å; Q34-T97 PolarHBondContact N-O 2.81Å; Q34-T97 PolarHBondContact O-N 3.2Å; Q34-T97 PolarHBondContact OE1-OG1 3.01Å; W36-T97 HydrophobicContact CH2-CG2 3.34Å; W36-T97 HydrophobicContact CZ3-CG2 3.48Å; W36-T97 VanDerWaalsContact CZ3-CG2 3.48Å; L64-T97 HydrophobicContact CD2-CG2 4.15Å; F86-T97 WeakPolarHBondContact O-CA 3.37Å; L87-T97 HydrophobicContact CD1-CG2 3.53Å; L87-T97 HydrophobicContact CG-CG2 4.41Å |
| 98 | S | 85.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 134.5 | 168.6 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | L32 S85 F86 | L32-S98 CarbonylContact O-C 3.57Å; L32-S98 VanDerWaalsContact O-CA 3.31Å; L32-S98 WeakPolarHBondContact O-CA 3.35Å; S85-S98 WeakPolarHBondContact CA-O 3.43Å; S85-S98 WeakPolarHBondContact CB-O 3.19Å; F86-S98 PolarHBondContact N-O 3.32Å; F86-S98 PolarHBondContact O-N 2.89Å |
| 99 | Q | 85 | Confident | 86.2 | Confident | 48 Ų | 48 | 29.5 Ų | 29.5 | 22% | 0.224 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.2 | 175.7 | 58.3 | -177.2 | -11.8 | 0 | 0 | 110.6 | Y31 L32 L101 | Y31-Q99 CarbonylContact C-O 3.52Å; Y31-Q99 WeakPolarHBondContact CA-O 3.47Å; L32-Q99 HydrophobicContact CB-CG 3.99Å; L32-Q99 PolarHBondContact N-O 2.03Å; L32-Q99 PolarHBondContact O-N 3.14Å; Q99-L101 HydrophobicContact CG-CD1 4.38Å; Q99-L101 HydrophobicContact CG-CD2 4.25Å; Q99-L101 HydrophobicContact CG-CG 4.21Å |
| 100 | R | 86 | Confident | 85.7 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.6 | 174.6 | -169.3 | 177.1 | 172.5 | 171.4 | -0.7 | 110.8 | I15 D29 F30 Y31 N84 | I15-R100 HydrophobicContact CD1-CG 3.93Å; D29-R100 WeakPolarHBondContact OD1-CG 3.01Å; D29-R100 IonicContact OD1-CZ 2.71Å; D29-R100 IonicContact OD1-NE 3.63Å; D29-R100 PolarHBondContact OD1-NE 2.91Å; D29-R100 IonicContact OD1-NH2 3.34Å; D29-R100 IonicContact OD2-CZ 3.55Å; D29-R100 IonicContact OD2-NE 3.77Å; D29-R100 PolarHBondContact OD2-NE 3.39Å; D29-R100 IonicContact OD2-NH2 2.77Å; D29-R100 PolarHBondContact OD2-NH2 2.72Å; F30-R100 CarbonylContact O-C 3.6Å; F30-R100 WeakPolarHBondContact O-CA 3.49Å; Y31-R100 HydrophobicContact CD1-CB 3.87Å; Y31-R100 HydrophobicContact CD1-CG 4.34Å; Y31-R100 HydrophobicContact CE1-CB 3.69Å; Y31-R100 HydrophobicContact CE1-CG 4.07Å; N84-R100 HydrophobicContact CB-CB 4.29Å; N84-R100 PolarHBondContact O-N 2.98Å |
| 101 | L | 85.2 | Confident | 85.1 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.1 | -178.4 | -57.8 | 177 | 0 | 0 | 0 | 110.1 | D29 F30 L32 F69 F77 Q99 V103 | D29-L101 WeakPolarHBondContact CA-O 3.45Å; F30-L101 HydrophobicContact CD1-CB 4.35Å; F30-L101 WeakPolarHBondContact CD1-O 3.26Å; F30-L101 HydrophobicContact CE1-CB 3.89Å; F30-L101 HydrophobicContact CE2-CB 4.39Å; F30-L101 HydrophobicContact CE2-CD1 4.1Å; F30-L101 HydrophobicContact CZ-CB 3.91Å; F30-L101 HydrophobicContact CZ-CD1 3.94Å; F30-L101 PolarHBondContact N-O 2.78Å; F30-L101 PolarHBondContact O-N 2.87Å; L32-L101 HydrophobicContact CB-CD1 3.75Å; L32-L101 HydrophobicContact CB-CG 4.44Å; L32-L101 HydrophobicContact CD2-CD1 3.79Å; L32-L101 HydrophobicContact CG-CD1 4.41Å; F69-L101 HydrophobicContact CE2-CD1 3.91Å; F69-L101 HydrophobicContact CZ-CD1 3.59Å; F77-L101 HydrophobicContact CD1-CD2 3.19Å; F77-L101 HydrophobicContact CE1-CD2 3.38Å; F77-L101 HydrophobicContact CG-CD2 4.07Å; F77-L101 HydrophobicContact CZ-CD2 4.36Å; Q99-L101 HydrophobicContact CG-CD1 4.38Å; Q99-L101 HydrophobicContact CG-CD2 4.25Å; Q99-L101 HydrophobicContact CG-CG 4.21Å; L101-V103 HydrophobicContact CB-CG2 4.43Å |
| 102 | T | 85.9 | Confident | 84.9 | Confident | 14 Ų | 14 | 43 Ų | 43 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.8 | 160.4 | -74.2 | 0 | 0 | 0 | 0 | 107.9 | K18 T27 L28 Y76 H78 | K18-T102 PolarHBondContact NZ-OG1 2.76Å; T27-T102 HydrophobicContact CG2-CG2 3.45Å; T27-T102 VanDerWaalsContact CG2-CG2 3.45Å; L28-T102 CarbonylContact O-C 3.38Å; L28-T102 VanDerWaalsContact O-CA 3.26Å; L28-T102 WeakPolarHBondContact O-CA 3.41Å; Y76-T102 PolarHBondContact N-O 2.83Å; Y76-T102 PolarHBondContact O-N 2.73Å; Y76-T102 VanDerWaalsContact O-N 3.08Å; H78-T102 PolarHBondContact CE1-OG1 3.47Å; H78-T102 PolarHBondContact NE2-OG1 3.07Å |
| 103 | V | 85.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.8 | 177 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | T27 L28 F30 F69 E72 L101 A105 L123 | T27-V103 WeakPolarHBondContact CA-O 3Å; L28-V103 HydrophobicContact CD2-CB 4.39Å; L28-V103 VanDerWaalsContact CD2-O 3.25Å; L28-V103 WeakPolarHBondContact CD2-O 3.37Å; L28-V103 HydrophobicContact CG-CB 4.37Å; L28-V103 WeakPolarHBondContact CG-O 3.41Å; L28-V103 PolarHBondContact N-O 3.42Å; L28-V103 PolarHBondContact O-N 2.82Å; F30-V103 HydrophobicContact CE1-CB 3.94Å; F30-V103 HydrophobicContact CE1-CG2 3.56Å; F30-V103 HydrophobicContact CZ-CG2 3.89Å; F69-V103 HydrophobicContact CD2-CG2 4.06Å; F69-V103 HydrophobicContact CE2-CG2 4.03Å; F69-V103 HydrophobicContact CG-CG2 4.42Å; F69-V103 HydrophobicContact CZ-CG2 4.35Å; E72-V103 HydrophobicContact CB-CG1 3.97Å; L101-V103 HydrophobicContact CB-CG2 4.43Å; V103-A105 HydrophobicContact CG1-CB 4.46Å; V103-L123 HydrophobicContact CB-CD1 4.44Å; V103-L123 HydrophobicContact CG1-CD1 3.82Å |
| 104 | T | 87.5 | Confident | 83.7 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 112 | 167.4 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | D25 Y26 T27 K73 K74 | D25-T104 HydrophobicContact CB-CG2 4.06Å; Y26-T104 VanDerWaalsContact O-CA 3.31Å; Y26-T104 WeakPolarHBondContact O-CA 3.32Å; T27-T104 PolarHBondContact OG1-OG1 2.81Å; K73-T104 PolarHBondContact N-O 2.77Å; K74-T104 PolarHBondContact N-O 3.45Å; K74-T104 PolarHBondContact O-N 2.83Å |
| 105 | A | 87.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 157.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D25 Y26 N71 V103 L123 | D25-A105 WeakPolarHBondContact CA-O 2.84Å; Y26-A105 HydrophobicContact CD1-CB 4.37Å; Y26-A105 VanDerWaalsContact CD1-O 3.24Å; Y26-A105 WeakPolarHBondContact CD1-O 3.48Å; Y26-A105 HydrophobicContact CE1-CB 3.59Å; Y26-A105 PolarHBondContact N-O 3.15Å; Y26-A105 PolarHBondContact O-N 3.03Å; N71-A105 VanDerWaalsContact O-CA 3.32Å; N71-A105 WeakPolarHBondContact O-CA 3.34Å; N71-A105 WeakPolarHBondContact O-CB 3.4Å; V103-A105 HydrophobicContact CG1-CB 4.46Å; A105-L123 HydrophobicContact CB-CD1 3.73Å |
| 106 | S | 86.4 | Confident | 82.3 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.2 | 176.2 | -162.2 | 0 | 0 | 0 | 0 | 110.6 | Q24 N71 | Q24-S106 PolarHBondContact O-OG 2.54Å; N71-S106 PolarHBondContact O-N 2.82Å; N71-S106 VanDerWaalsContact O-N 3.12Å |
| 107 | C | 85.3 | Confident | 81.5 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | trans | -139.1 | 105.3 | 176.2 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | Q24 Y26 M109 C121 | Q24-C107 CarbonylContact C-O 3.57Å; Q24-C107 WeakPolarHBondContact CA-O 3.23Å; Q24-C107 WeakPolarHBondContact CB-O 3.32Å; Q24-C107 CarbonylContact O-C 3.6Å; Q24-C107 PolarHBondContact O-N 2.71Å; Q24-C107 VanDerWaalsContact O-O 3.13Å; Y26-C107 HydrophobicContact CD1-CB 3.43Å; Y26-C107 VanDerWaalsContact CD1-CB 3.43Å; Y26-C107 HydrophobicContact CE1-CB 3.73Å; Y26-C107 HydrophobicContact CG-CB 4.42Å; C107-M109 WeakPolarHBondContact O-CG 2.84Å; C107-M109 PolarHBondContact O-N 3.09Å; C107-C121 HydrophobicContact CB-CB 3.62Å; C107-C121 WeakPolarHBondContact CB-SG 3.35Å; C107-C121 WeakPolarHBondContact SG-CA 3.44Å; C107-C121 WeakPolarHBondContact SG-CB 2.91Å; C107-C121 CovalentContact SG-SG 2.03Å; C107-C121 PolarHBondContact SG-SG 3.34Å | ||
| 108 | P | 81.8 | Confident | 80.9 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | trans | -69.4 | 98 | 176.5 | 27 | -30.8 | 0 | 0 | 0 | 109.9 | ||||
| 109 | M | 79.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 64.7 Ų | 64.7 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | trans | -85.7 | 146.8 | -178.4 | -66.3 | 177.9 | -76.2 | 0 | 0 | 112.6 | I20 S21 C107 L111 Q119 | I20-M109 HydrophobicContact CG2-CE 3.28Å; I20-M109 HydrophobicContact CG2-SD 3.36Å; I20-M109 WeakPolarHBondContact CG2-SD 2.82Å; S21-M109 WeakPolarHBondContact O-CE 3.19Å; C107-M109 WeakPolarHBondContact O-CG 2.84Å; C107-M109 PolarHBondContact O-N 3.09Å; M109-L111 HydrophobicContact CB-CD2 4.09Å; M109-L111 HydrophobicContact CB-CG 4.22Å; M109-L111 HydrophobicContact SD-CD2 4.42Å; M109-Q119 VanDerWaalsContact CA-OE1 3.24Å; M109-Q119 HydrophobicContact CB-CG 4Å; M109-Q119 HydrophobicContact CG-CB 4.08Å; M109-Q119 HydrophobicContact CG-CG 3.73Å; M109-Q119 HydrophobicContact SD-CG 3.97Å | ||
| 110 | M | 78.3 | Confident | 80 | Confident | 143 Ų | 143 | 68.7 Ų | 68.7 | 70% | 0.704 | 36% | 0.362 | S | S | * | . | trans | -99.5 | 94.5 | 170.9 | -70.1 | -172.7 | -74.4 | 0 | 0 | 110.5 | Q112 Q119 | M110-Q112 VanDerWaalsContact C-N 3.26Å; M110-Q112 PolarHBondContact O-N 2.82Å; M110-Q112 VanDerWaalsContact O-N 3.16Å; M110-Q119 PolarHBondContact O-NE2 2.99Å | ||
| 111 | L | 76.6 | Confident | 79.8 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | trans | -88.6 | 38.7 | -172.8 | -59 | 172.2 | 0 | 0 | 0 | 113.7 | M109 F114 D117 | M109-L111 HydrophobicContact CB-CD2 4.09Å; M109-L111 HydrophobicContact CB-CG 4.22Å; M109-L111 HydrophobicContact SD-CD2 4.42Å; L111-F114 HydrophobicContact CD2-CD2 4.24Å; L111-D117 WeakPolarHBondContact CA-OD2 3.28Å | ||
| 112 | Q | 82 | Confident | 79.6 | Confident | 177 Ų | 177 | 67.7 Ų | 67.7 | 83% | 0.827 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -26.1 | -172.2 | -70.9 | -176.6 | -14.8 | 0 | 0 | 113.9 | M110 | M110-Q112 VanDerWaalsContact C-N 3.26Å; M110-Q112 PolarHBondContact O-N 2.82Å; M110-Q112 VanDerWaalsContact O-N 3.16Å |
| 113 | L | 77.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 67 Ų | 67 | 67% | 0.665 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 20.7 | -176.2 | -65.1 | 166.6 | 0 | 0 | 0 | 111.9 | L116 D117 | L113-L116 WeakPolarHBondContact O-CA 3.34Å; L113-L116 WeakPolarHBondContact O-CB 3.15Å; L113-L116 PolarHBondContact O-N 2.8Å; L113-D117 WeakPolarHBondContact CA-OD1 3.31Å; L113-D117 WeakPolarHBondContact CB-OD1 3.42Å; L113-D117 PolarHBondContact N-OD1 3.09Å |
| 114 | F | 69.3 | Low | 79.2 | Confident | 152 Ų | 152 | 69.6 Ų | 69.6 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.1 | -173.8 | -174.7 | -91.5 | 0 | 0 | 0 | 111.6 | L111 D117 | L111-F114 HydrophobicContact CD2-CD2 4.24Å; F114-D117 WeakPolarHBondContact CA-OD2 3.44Å; F114-D117 WeakPolarHBondContact CB-OD2 3.39Å; F114-D117 PolarHBondContact N-OD1 2.76Å; F114-D117 PolarHBondContact N-OD2 2.94Å |
| 115 | P | 70.8 | Confident | 78.9 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 67% | 0.669 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.9 | 13.2 | 6.6 | 37.8 | -36.4 | 0 | 0 | 0 | 115.3 | D117 | P115-D117 VanDerWaalsContact C-N 3.31Å; P115-D117 PolarHBondContact O-N 2.79Å |
| 116 | L | 75.4 | Confident | 78.5 | Confident | 149 Ų | 149 | 70.9 Ų | 70.9 | 78% | 0.78 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -91 | 14.2 | -175.6 | -65.9 | 159.9 | 0 | 0 | 0 | 113.4 | L113 | L113-L116 WeakPolarHBondContact O-CA 3.34Å; L113-L116 WeakPolarHBondContact O-CB 3.15Å; L113-L116 PolarHBondContact O-N 2.8Å |
| 117 | D | 71.9 | Confident | 77.9 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | trans | -70 | 152.1 | 179.1 | -46.1 | -49.9 | 0 | 0 | 0 | 112.1 | L111 L113 F114 P115 Q119 H148 | L111-D117 WeakPolarHBondContact CA-OD2 3.28Å; L113-D117 WeakPolarHBondContact CA-OD1 3.31Å; L113-D117 WeakPolarHBondContact CB-OD1 3.42Å; L113-D117 PolarHBondContact N-OD1 3.09Å; F114-D117 WeakPolarHBondContact CA-OD2 3.44Å; F114-D117 WeakPolarHBondContact CB-OD2 3.39Å; F114-D117 PolarHBondContact N-OD1 2.76Å; F114-D117 PolarHBondContact N-OD2 2.94Å; P115-D117 VanDerWaalsContact C-N 3.31Å; P115-D117 PolarHBondContact O-N 2.79Å; D117-Q119 VanDerWaalsContact CB-NE2 3.32Å; D117-H148 PolarHBondContact O-CE1 3.4Å; D117-H148 PolarHBondContact O-ND1 2.99Å | ||
| 118 | S | 74.7 | Confident | 77.2 | Confident | 81 Ų | 81 | 70.3 Ų | 70.3 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | trans | -111.1 | 134.3 | 158.6 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 119 | Q | 74.8 | Confident | 76.4 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 140.9 | 175.8 | -45.3 | -69.7 | -26.5 | 0 | 0 | 109.6 | M109 M110 D117 V147 | M109-Q119 VanDerWaalsContact CA-OE1 3.24Å; M109-Q119 HydrophobicContact CB-CG 4Å; M109-Q119 HydrophobicContact CG-CB 4.08Å; M109-Q119 HydrophobicContact CG-CG 3.73Å; M109-Q119 HydrophobicContact SD-CG 3.97Å; M110-Q119 PolarHBondContact O-NE2 2.99Å; D117-Q119 VanDerWaalsContact CB-NE2 3.32Å; Q119-V147 HydrophobicContact CB-CB 3.86Å; Q119-V147 HydrophobicContact CB-CG1 4.48Å; Q119-V147 HydrophobicContact CB-CG2 4.14Å; Q119-V147 HydrophobicContact CG-CB 4.36Å; Q119-V147 HydrophobicContact CG-CG1 4.47Å; Q119-V147 PolarHBondContact O-N 2.82Å |
| 120 | E | 78.3 | Confident | 75.4 | Confident | 132 Ų | 132 | 73 Ų | 73 | 62% | 0.617 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.3 | 168.9 | -68.2 | -168.1 | 146.5 | 0 | 0 | 108.6 | ||
| 121 | C | 80.5 | Confident | 74.2 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | Y26 C107 M144 V145 | Y26-C121 HydrophobicContact CD1-CB 3.9Å; Y26-C121 HydrophobicContact CD2-CB 4.15Å; Y26-C121 HydrophobicContact CE1-CB 3.7Å; Y26-C121 HydrophobicContact CE2-CB 3.91Å; Y26-C121 HydrophobicContact CG-CB 4.14Å; C107-C121 HydrophobicContact CB-CB 3.62Å; C107-C121 WeakPolarHBondContact CB-SG 3.35Å; C107-C121 WeakPolarHBondContact SG-CA 3.44Å; C107-C121 WeakPolarHBondContact SG-CB 2.91Å; C107-C121 CovalentContact SG-SG 2.03Å; C107-C121 PolarHBondContact SG-SG 3.34Å; C121-M144 WeakPolarHBondContact O-CA 3.37Å; C121-V145 PolarHBondContact N-O 3.48Å; C121-V145 PolarHBondContact O-N 3Å |
| 122 | T | 81.5 | Confident | 73.5 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131 | 176.7 | 49.8 | 0 | 0 | 0 | 0 | 111 | Y26 N71 F142 L143 M144 | Y26-T122 PolarHBondContact OH-O 2.77Å; N71-T122 PolarHBondContact ND2-O 2.81Å; T122-F142 HydrophobicContact CG2-CD1 4.29Å; T122-L143 CarbonylContact C-O 3.5Å; T122-L143 VanDerWaalsContact CA-O 3.28Å; T122-L143 WeakPolarHBondContact CA-O 3.41Å; T122-M144 HydrophobicContact CG2-CG 3.96Å |
| 123 | L | 82.2 | Confident | 72.6 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.6 | 159.5 | -172.6 | 75.9 | 0 | 0 | 0 | 108.5 | Y26 L28 F30 F69 V103 A105 I125 F142 L143 | Y26-L123 WeakPolarHBondContact OH-CA 3.45Å; Y26-L123 WeakPolarHBondContact OH-CB 3.32Å; Y26-L123 PolarHBondContact OH-N 2.78Å; Y26-L123 VanDerWaalsContact OH-N 3.1Å; L28-L123 HydrophobicContact CD1-CD1 4.36Å; L28-L123 HydrophobicContact CD1-CD2 3.55Å; L28-L123 HydrophobicContact CD1-CG 4.35Å; L28-L123 HydrophobicContact CD2-CD1 4.08Å; F30-L123 HydrophobicContact CE1-CD2 4.02Å; F30-L123 HydrophobicContact CE2-CD2 4.35Å; F30-L123 HydrophobicContact CZ-CD2 3.79Å; F69-L123 HydrophobicContact CD1-CD1 4.25Å; F69-L123 HydrophobicContact CD1-CD2 3.86Å; F69-L123 HydrophobicContact CD1-CG 4.07Å; F69-L123 HydrophobicContact CE1-CD2 3.97Å; V103-L123 HydrophobicContact CB-CD1 4.44Å; V103-L123 HydrophobicContact CG1-CD1 3.82Å; A105-L123 HydrophobicContact CB-CD1 3.73Å; L123-I125 HydrophobicContact CD2-CD1 4.44Å; L123-I125 HydrophobicContact CD2-CG1 4.31Å; L123-F142 WeakPolarHBondContact O-CA 3.09Å; L123-L143 HydrophobicContact CB-CB 3.84Å; L123-L143 PolarHBondContact N-O 3.27Å; L123-L143 PolarHBondContact O-N 3.14Å |
| 124 | E | 81.5 | Confident | 71.5 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.7 | 176.6 | -67.2 | 179.3 | -172.3 | 0 | 0 | 109.7 | F69 P70 N71 L139 F142 | F69-E124 WeakPolarHBondContact CA-O 3.38Å; P70-E124 VanDerWaalsContact CD-O 3.27Å; P70-E124 WeakPolarHBondContact CD-O 3.42Å; P70-E124 HydrophobicContact CG-CB 4.07Å; N71-E124 PolarHBondContact OD1-N 3.24Å; N71-E124 VanDerWaalsContact OD1-N 3.1Å; E124-L139 HydrophobicContact CB-CD1 4.2Å; E124-F142 HydrophobicContact CG-CD1 3.7Å; E124-F142 HydrophobicContact CG-CE1 3.51Å |
| 125 | I | 80.7 | Confident | 71.2 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.5 | 176.5 | -51.1 | -176 | 0 | 0 | 0 | 107.9 | V10 L32 T67 F69 L123 L140 V141 | V10-I125 HydrophobicContact CG1-CG2 4.18Å; L32-I125 HydrophobicContact CD1-CD1 4.24Å; T67-I125 HydrophobicContact CG2-CG2 3.33Å; F69-I125 HydrophobicContact CD1-CG1 3.94Å; F69-I125 HydrophobicContact CE1-CD1 4.09Å; F69-I125 HydrophobicContact CE1-CG1 3.82Å; F69-I125 HydrophobicContact CE1-CG2 4.34Å; L123-I125 HydrophobicContact CD2-CD1 4.44Å; L123-I125 HydrophobicContact CD2-CG1 4.31Å; I125-L140 HydrophobicContact CG2-CD1 4.32Å; I125-L140 WeakPolarHBondContact O-CB 3.32Å; I125-L140 PolarHBondContact O-N 3.4Å; I125-V141 HydrophobicContact CD1-CB 4.46Å; I125-V141 PolarHBondContact N-O 3.45Å; I125-V141 PolarHBondContact O-N 2.89Å |
| 126 | E | 79.6 | Confident | 70.9 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 155.6 | 178.1 | -72.9 | -166.2 | 175 | 0 | 0 | 111.4 | T67 F68 P70 V138 L139 | T67-E126 CarbonylContact C-O 3.55Å; T67-E126 VanDerWaalsContact CA-O 3.27Å; T67-E126 WeakPolarHBondContact CA-O 3.36Å; F68-E126 HydrophobicContact CD1-CB 4.17Å; F68-E126 WeakPolarHBondContact CD1-O 3.43Å; F68-E126 HydrophobicContact CE1-CB 3.44Å; F68-E126 VanDerWaalsContact CE1-CB 3.44Å; F68-E126 HydrophobicContact CE2-CB 3.96Å; F68-E126 HydrophobicContact CZ-CB 3.36Å; F68-E126 HydrophobicContact CZ-CG 4.27Å; F68-E126 WeakPolarHBondContact CZ-OE2 3.27Å; F68-E126 PolarHBondContact N-O 3.1Å; F68-E126 PolarHBondContact O-N 3.34Å; P70-E126 HydrophobicContact CG-CB 3.94Å; P70-E126 VanDerWaalsContact CG-CD 3.42Å; P70-E126 HydrophobicContact CG-CG 3.45Å; P70-E126 VanDerWaalsContact CG-CG 3.45Å; E126-V138 CarbonylContact C-O 3.54Å; E126-V138 WeakPolarHBondContact CA-O 3.09Å; E126-L139 HydrophobicContact CG-CB 4.25Å; E126-L139 HydrophobicContact CG-CD1 3.57Å |
| 127 | S | 74.5 | Confident | 70.5 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.3 | 165.3 | -178 | 0 | 0 | 0 | 0 | 111.4 | D66 C137 V138 | D66-S127 WeakPolarHBondContact O-CA 3.5Å; D66-S127 WeakPolarHBondContact O-CB 3.18Å; D66-S127 PolarHBondContact O-OG 3.3Å; S127-C137 CarbonylContact O-C 3.53Å; S127-C137 WeakPolarHBondContact O-CA 3.4Å; S127-V138 PolarHBondContact N-O 2.74Å; S127-V138 PolarHBondContact O-N 2.97Å |
| 128 | C | 69.2 | Low | 70.3 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 14% | 0.142 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.2 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.8 | D66 F68 L135 M136 C137 | D66-C128 PolarHBondContact O-N 3.02Å; F68-C128 HydrophobicContact CE1-CB 4.27Å; F68-C128 WeakPolarHBondContact CE1-SG 3.28Å; F68-C128 WeakPolarHBondContact CZ-SG 3.37Å; C128-L135 HydrophobicContact CB-CD2 3.61Å; C128-L135 HydrophobicContact CB-CG 4.32Å; C128-M136 WeakPolarHBondContact CA-O 3.26Å; C128-C137 HydrophobicContact CB-CB 4.1Å; C128-C137 WeakPolarHBondContact CB-SG 3.46Å; C128-C137 WeakPolarHBondContact SG-CB 3.32Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.39Å |
| 129 | K | 65.8 | Low | 69.9 | Low | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.1 | 168.9 | 55.8 | 179.1 | 177.9 | -179.1 | 0 | 109.4 | I4 M136 | I4-K129 HydrophobicContact CD1-CB 4.09Å; K129-M136 HydrophobicContact CG-CB 4.13Å; K129-M136 WeakPolarHBondContact CG-O 3.49Å; K129-M136 PolarHBondContact N-O 2.93Å; K129-M136 PolarHBondContact O-N 3.4Å |
| 130 | S | 57.5 | Low | 69.6 | Low | 89 Ų | 89 | 58.2 Ų | 58.2 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.6 | 171.1 | -168.2 | 0 | 0 | 0 | 0 | 109.6 | ||
| 131 | S | 54.7 | Low | 69 | Low | 72 Ų | 72 | 52 Ų | 52 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 120.7 | 176.1 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | G133 S134 | S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.87Å; S131-S134 PolarHBondContact N-O 2.73Å; S131-S134 PolarHBondContact O-N 3.22Å |
| 132 | S | 60.4 | Low | 68.3 | Low | 106 Ų | 106 | 54.1 Ų | 54.1 | 74% | 0.741 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 46 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 114.6 | S134 | S132-S134 VanDerWaalsContact C-N 3.25Å; S132-S134 PolarHBondContact O-N 2.87Å |
| 133 | G | 64.2 | Low | 67.5 | Low | 77 Ų | 77 | 51.6 Ų | 51.6 | 79% | 0.794 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 0.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S131 | S131-G133 VanDerWaalsContact C-N 3.28Å; S131-G133 PolarHBondContact O-N 2.87Å |
| 134 | S | 54 | Low | 66.7 | Low | 80 Ų | 80 | 54 Ų | 54 | 56% | 0.559 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.4 | 172.1 | -60.3 | 0 | 0 | 0 | 0 | 110.3 | S131 S132 | S131-S134 PolarHBondContact N-O 2.73Å; S131-S134 PolarHBondContact O-N 3.22Å; S132-S134 VanDerWaalsContact C-N 3.25Å; S132-S134 PolarHBondContact O-N 2.87Å |
| 135 | L | 64.4 | Low | 65.9 | Low | 125 Ų | 125 | 51.5 Ų | 51.5 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.9 | 174.5 | -147.4 | 125.6 | 0 | 0 | 0 | 107.7 | C128 C137 | C128-L135 HydrophobicContact CB-CD2 3.61Å; C128-L135 HydrophobicContact CB-CG 4.32Å; L135-C137 VanDerWaalsContact CD2-SG 3.53Å |
| 136 | M | 63 | Low | 65.2 | Low | 113 Ų | 113 | 52.3 Ų | 52.3 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 107.1 | -175.9 | -156.9 | -177.6 | 177.1 | 0 | 0 | 108.5 | C128 K129 | C128-M136 WeakPolarHBondContact CA-O 3.26Å; K129-M136 HydrophobicContact CG-CB 4.13Å; K129-M136 WeakPolarHBondContact CG-O 3.49Å; K129-M136 PolarHBondContact N-O 2.93Å; K129-M136 PolarHBondContact O-N 3.4Å |
| 137 | C | 67.3 | Low | 64.4 | Low | 49 Ų | 49 | 51.2 Ų | 51.2 | 33% | 0.331 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 141.4 | 179.5 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | S127 C128 L135 | S127-C137 CarbonylContact O-C 3.53Å; S127-C137 WeakPolarHBondContact O-CA 3.4Å; C128-C137 HydrophobicContact CB-CB 4.1Å; C128-C137 WeakPolarHBondContact CB-SG 3.46Å; C128-C137 WeakPolarHBondContact SG-CB 3.32Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.39Å; L135-C137 VanDerWaalsContact CD2-SG 3.53Å |
| 138 | V | 67.9 | Low | 63.8 | Low | 52 Ų | 52 | 55.7 Ų | 55.7 | 32% | 0.315 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.5 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 107.5 | E126 S127 L140 F162 | E126-V138 CarbonylContact C-O 3.54Å; E126-V138 WeakPolarHBondContact CA-O 3.09Å; S127-V138 PolarHBondContact N-O 2.74Å; S127-V138 PolarHBondContact O-N 2.97Å; V138-L140 PolarHBondContact O-N 2.92Å; V138-F162 HydrophobicContact CG1-CD2 4.23Å |
| 139 | L | 67 | Low | 62.7 | Low | 26 Ų | 26 | 66 Ų | 66 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 120.8 | 167.7 | -172.9 | 72.5 | 0 | 0 | 0 | 109.4 | E124 E126 F142 F162 | E124-L139 HydrophobicContact CB-CD1 4.2Å; E126-L139 HydrophobicContact CG-CB 4.25Å; E126-L139 HydrophobicContact CG-CD1 3.57Å; L139-F142 HydrophobicContact CD2-CD2 3.96Å; L139-F142 HydrophobicContact CD2-CE1 4.11Å; L139-F142 HydrophobicContact CD2-CE2 3.19Å; L139-F142 HydrophobicContact CD2-CZ 3.29Å; L139-F142 HydrophobicContact CG-CE2 4.38Å; L139-F162 HydrophobicContact CB-CD2 4.39Å; L139-F162 HydrophobicContact CB-CE2 4Å |
| 140 | L | 67.2 | Low | 61.6 | Low | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -52 | -176.3 | -65.9 | 164.7 | 0 | 0 | 0 | 110.1 | V10 I125 V138 F159 | V10-L140 HydrophobicContact CB-CB 4.4Å; V10-L140 HydrophobicContact CB-CD1 3.89Å; V10-L140 HydrophobicContact CG1-CD1 4.41Å; V10-L140 HydrophobicContact CG2-CD1 3.5Å; V10-L140 VanDerWaalsContact CG2-CD1 3.5Å; V10-L140 HydrophobicContact CG2-CD2 4.45Å; V10-L140 HydrophobicContact CG2-CG 4.46Å; I125-L140 HydrophobicContact CG2-CD1 4.32Å; I125-L140 WeakPolarHBondContact O-CB 3.32Å; I125-L140 PolarHBondContact O-N 3.4Å; V138-L140 PolarHBondContact O-N 2.92Å; L140-F159 WeakPolarHBondContact O-CD1 3.46Å |
| 141 | V | 66.6 | Low | 60.9 | Low | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 142.5 | -167.6 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | V10 I125 F157 F159 | V10-V141 WeakPolarHBondContact O-CG2 3.4Å; I125-V141 HydrophobicContact CD1-CB 4.46Å; I125-V141 PolarHBondContact N-O 3.45Å; I125-V141 PolarHBondContact O-N 2.89Å; V141-F157 HydrophobicContact CG1-CD1 3.8Å; V141-F159 HydrophobicContact CG2-CD1 4.32Å; V141-F159 HydrophobicContact CG2-CD2 4.23Å; V141-F159 HydrophobicContact CG2-CE1 3.97Å; V141-F159 HydrophobicContact CG2-CE2 3.87Å; V141-F159 HydrophobicContact CG2-CG 4.45Å; V141-F159 HydrophobicContact CG2-CZ 3.74Å |
| 142 | F | 66 | Low | 60.4 | Low | 46 Ų | 46 | 73.5 Ų | 73.5 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.2 | 159.1 | -67.5 | -84.1 | 0 | 0 | 0 | 110 | T122 L123 E124 L139 V158 C160 | T122-F142 HydrophobicContact CG2-CD1 4.29Å; L123-F142 WeakPolarHBondContact O-CA 3.09Å; E124-F142 HydrophobicContact CG-CD1 3.7Å; E124-F142 HydrophobicContact CG-CE1 3.51Å; L139-F142 HydrophobicContact CD2-CD2 3.96Å; L139-F142 HydrophobicContact CD2-CE1 4.11Å; L139-F142 HydrophobicContact CD2-CE2 3.19Å; L139-F142 HydrophobicContact CD2-CZ 3.29Å; L139-F142 HydrophobicContact CG-CE2 4.38Å; F142-V158 HydrophobicContact CB-CB 4.47Å; F142-V158 PolarHBondContact N-O 3.44Å; F142-V158 PolarHBondContact O-N 3.1Å; F142-C160 HydrophobicContact CD2-CB 3.92Å; F142-C160 WeakPolarHBondContact CD2-SG 3.22Å; F142-C160 HydrophobicContact CE2-CB 3.86Å; F142-C160 VanDerWaalsContact CE2-SG 3.53Å |
| 143 | L | 64.7 | Low | 59.6 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 109.1 | 168.1 | -158.8 | 93.7 | 0 | 0 | 0 | 108.1 | G12 C14 L28 T122 L123 V145 C155 F157 | G12-L143 WeakPolarHBondContact O-CD1 3.38Å; C14-L143 HydrophobicContact CB-CD2 4.06Å; L28-L143 HydrophobicContact CD1-CD2 4.24Å; T122-L143 CarbonylContact C-O 3.5Å; T122-L143 VanDerWaalsContact CA-O 3.28Å; T122-L143 WeakPolarHBondContact CA-O 3.41Å; L123-L143 HydrophobicContact CB-CB 3.84Å; L123-L143 PolarHBondContact N-O 3.27Å; L123-L143 PolarHBondContact O-N 3.14Å; L143-V145 HydrophobicContact CD2-CG2 3.61Å; L143-V145 HydrophobicContact CG-CG2 4.25Å; L143-C155 HydrophobicContact CD1-CB 4.3Å; L143-C155 HydrophobicContact CD2-CB 3.99Å; L143-C155 HydrophobicContact CG-CB 4.06Å; L143-F157 HydrophobicContact CD1-CD1 3.73Å; L143-F157 HydrophobicContact CD1-CE1 3.52Å; L143-F157 HydrophobicContact CD1-CZ 4.31Å |
| 144 | M | 63.7 | Low | 58.7 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 24% | 0.241 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.7 | 171 | -68.3 | -168.4 | -50.7 | 0 | 0 | 108.7 | C121 T122 Y156 V158 | C121-M144 WeakPolarHBondContact O-CA 3.37Å; T122-M144 HydrophobicContact CG2-CG 3.96Å; M144-Y156 HydrophobicContact CB-CD2 3.64Å; M144-Y156 HydrophobicContact CB-CE2 3.38Å; M144-Y156 HydrophobicContact CE-CD2 3.92Å; M144-Y156 HydrophobicContact CE-CE2 3.84Å; M144-Y156 PolarHBondContact N-O 3.2Å; M144-V158 HydrophobicContact CE-CG2 3.63Å |
| 145 | V | 65.6 | Low | 58.6 | Low | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.024 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.2 | 179 | -169.7 | 0 | 0 | 0 | 0 | 108.4 | L17 Y26 C121 L143 V147 C155 | L17-V145 HydrophobicContact CD1-CB 4.46Å; L17-V145 HydrophobicContact CD1-CG1 3.56Å; Y26-V145 HydrophobicContact CE2-CG2 4.42Å; C121-V145 PolarHBondContact N-O 3.48Å; C121-V145 PolarHBondContact O-N 3Å; L143-V145 HydrophobicContact CD2-CG2 3.61Å; L143-V145 HydrophobicContact CG-CG2 4.25Å; V145-V147 PolarHBondContact O-N 2.84Å; V145-C155 HydrophobicContact CG2-CB 4.21Å |
| 146 | P | 65.1 | Low | 57.7 | Low | 18 Ų | 18 | 71.9 Ų | 71.9 | 12% | 0.117 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.9 | 170.9 | 28.4 | -27.8 | 0 | 0 | 0 | 108 | H148 D153 Y156 | P146-H148 VanDerWaalsContact C-N 3.28Å; P146-H148 PolarHBondContact O-N 2.82Å; P146-D153 HydrophobicContact CG-CB 3.86Å; P146-Y156 WeakPolarHBondContact CB-OH 3.43Å; P146-Y156 VanDerWaalsContact CD-OH 3.27Å; P146-Y156 WeakPolarHBondContact CD-OH 2.88Å; P146-Y156 HydrophobicContact CG-CE1 3.77Å; P146-Y156 WeakPolarHBondContact CG-OH 3.39Å |
| 147 | V | 64.1 | Low | 56.8 | Low | 22 Ų | 22 | 67.8 Ų | 67.8 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 76 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 107.3 | L17 I20 Q119 V145 | L17-V147 HydrophobicContact CD1-CG2 4.1Å; I20-V147 HydrophobicContact CD1-CB 4.21Å; I20-V147 HydrophobicContact CD1-CG1 3.15Å; I20-V147 HydrophobicContact CD1-CG2 4.1Å; I20-V147 HydrophobicContact CG1-CG1 3.87Å; I20-V147 HydrophobicContact CG1-CG2 4.21Å; Q119-V147 HydrophobicContact CB-CB 3.86Å; Q119-V147 HydrophobicContact CB-CG1 4.48Å; Q119-V147 HydrophobicContact CB-CG2 4.14Å; Q119-V147 HydrophobicContact CG-CB 4.36Å; Q119-V147 HydrophobicContact CG-CG1 4.47Å; Q119-V147 PolarHBondContact O-N 2.82Å; V145-V147 PolarHBondContact O-N 2.84Å |
| 148 | H | 61.7 | Low | 55.8 | Low | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -124.6 | 160 | 163.6 | -125.4 | 53.4 | 0 | 0 | 0 | 109.1 | D117 P146 A150 | D117-H148 PolarHBondContact O-CE1 3.4Å; D117-H148 PolarHBondContact O-ND1 2.99Å; P146-H148 VanDerWaalsContact C-N 3.28Å; P146-H148 PolarHBondContact O-N 2.82Å; H148-A150 PolarHBondContact O-N 2.83Å |
| 149 | R | 45.8 | Very low | 54.4 | Low | 238 Ų | 238 | 67.3 Ų | 67.3 | 90% | 0.898 | 33% | 0.333 | S | S | * | . | trans | -52.3 | 111.7 | -175 | -156.5 | 179.2 | -148.5 | 173.1 | 4.8 | 109.1 | E151 | R149-E151 PolarHBondContact O-N 3.14Š| ||
| 150 | A | 43.4 | Very low | 52.9 | Low | 81 Ų | 81 | 67.9 Ų | 67.9 | 67% | 0.669 | 34% | 0.339 | S | S | * | . | trans | -68.2 | 97.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H148 | H148-A150 PolarHBondContact O-N 2.83Š| ||
| 151 | E | 43 | Very low | 51.1 | Low | 175 Ų | 175 | 69.8 Ų | 69.8 | 82% | 0.818 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -110.7 | -28.1 | 155.3 | -100 | 170.2 | 148.5 | 0 | 0 | 112.4 | R149 | R149-E151 PolarHBondContact O-N 3.14Š|
| 152 | D | 43.6 | Very low | 49.5 | Very low | 151 Ų | 151 | 76.5 Ų | 76.5 | 81% | 0.807 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -148 | 6.3 | -174.5 | -74.3 | -53.9 | 0 | 0 | 0 | 118.5 | L154 | D152-L154 PolarHBondContact O-N 3.22Å; D152-L154 VanDerWaalsContact O-N 3.16Å |
| 153 | D | 43.1 | Very low | 48.1 | Very low | 98 Ų | 98 | 78.3 Ų | 78.3 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | trans | -84.7 | 101.6 | -171.5 | -73.3 | -26.4 | 0 | 0 | 0 | 114.2 | P146 C155 | P146-D153 HydrophobicContact CG-CB 3.86Å; D153-C155 PolarHBondContact O-N 2.93Å | ||
| 154 | L | 46.7 | Very low | 46.5 | Very low | 152 Ų | 152 | 88.8 Ų | 88.8 | 80% | 0.796 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 120 | 161.2 | -86 | 151.8 | 0 | 0 | 0 | 109.7 | D152 Y156 | D152-L154 PolarHBondContact O-N 3.22Å; D152-L154 VanDerWaalsContact O-N 3.16Å; L154-Y156 PolarHBondContact O-N 3.19Å |
| 155 | C | 50 | Low | 44.7 | Very low | 16 Ų | 16 | 95.1 Ų | 95.1 | 11% | 0.108 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 135.3 | 177 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | C14 L143 V145 D153 | C14-C155 HydrophobicContact CB-CB 3.06Å; C14-C155 WeakPolarHBondContact CB-SG 3.38Å; C14-C155 WeakPolarHBondContact SG-CB 3.3Å; C14-C155 CovalentContact SG-SG 2.04Å; C14-C155 PolarHBondContact SG-SG 3.22Å; L143-C155 HydrophobicContact CD1-CB 4.3Å; L143-C155 HydrophobicContact CD2-CB 3.99Å; L143-C155 HydrophobicContact CG-CB 4.06Å; V145-C155 HydrophobicContact CG2-CB 4.21Å; D153-C155 PolarHBondContact O-N 2.93Å |
| 156 | Y | 47.2 | Very low | 42.8 | Very low | 88 Ų | 88 | 101 Ų | 101 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.3 | -175.4 | 25 | -85.1 | 0 | 0 | 0 | 110.5 | M144 P146 L154 | M144-Y156 HydrophobicContact CB-CD2 3.64Å; M144-Y156 HydrophobicContact CB-CE2 3.38Å; M144-Y156 HydrophobicContact CE-CD2 3.92Å; M144-Y156 HydrophobicContact CE-CE2 3.84Å; M144-Y156 PolarHBondContact N-O 3.2Å; P146-Y156 WeakPolarHBondContact CB-OH 3.43Å; P146-Y156 VanDerWaalsContact CD-OH 3.27Å; P146-Y156 WeakPolarHBondContact CD-OH 2.88Å; P146-Y156 HydrophobicContact CG-CE1 3.77Å; P146-Y156 WeakPolarHBondContact CG-OH 3.39Å; L154-Y156 PolarHBondContact O-N 3.19Å |
| 157 | F | 44.1 | Very low | 40.9 | Very low | 26 Ų | 26 | 106.6 Ų | 106.6 | 11% | 0.114 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.3 | 173.5 | -62.5 | -73.6 | 0 | 0 | 0 | 110.2 | L11 G12 Y13 V141 L143 | L11-F157 HydrophobicContact CD2-CE2 4.44Å; G12-F157 WeakPolarHBondContact O-CE1 3.42Å; G12-F157 WeakPolarHBondContact O-CZ 3.12Å; Y13-F157 AromaticContact CD1-CE2 3.84Å; Y13-F157 HydrophobicContact CD1-CE2 3.84Å; Y13-F157 HydrophobicContact CD1-CZ 4.03Å; Y13-F157 HydrophobicContact CD2-CZ 4.46Å; Y13-F157 AromaticContact CE1-CE2 3.92Å; Y13-F157 HydrophobicContact CE1-CE2 3.92Å; Y13-F157 HydrophobicContact CE1-CZ 4.35Å; Y13-F157 HydrophobicContact CG-CE2 4.38Å; Y13-F157 HydrophobicContact CG-CZ 4.11Å; V141-F157 HydrophobicContact CG1-CD1 3.8Å; L143-F157 HydrophobicContact CD1-CD1 3.73Å; L143-F157 HydrophobicContact CD1-CE1 3.52Å; L143-F157 HydrophobicContact CD1-CZ 4.31Å |
| 158 | V | 44.5 | Very low | 39.2 | Very low | 20 Ų | 20 | 108.9 Ų | 108.9 | 12% | 0.121 | 55% | 0.552 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.9 | 103.3 | 160.1 | -173.6 | 0 | 0 | 0 | 0 | 106.8 | F142 M144 C160 L170 | F142-V158 HydrophobicContact CB-CB 4.47Å; F142-V158 PolarHBondContact N-O 3.44Å; F142-V158 PolarHBondContact O-N 3.1Å; M144-V158 HydrophobicContact CE-CG2 3.63Å; V158-C160 PolarHBondContact O-N 3.49Å; V158-L170 HydrophobicContact CB-CD2 4.45Å; V158-L170 HydrophobicContact CG1-CD2 4.04Å; V158-L170 HydrophobicContact CG2-CD2 3.79Å |
| 159 | F | 39.2 | Very low | 37.8 | Very low | 71 Ų | 71 | 110 Ų | 110 | 31% | 0.311 | 56% | 0.558 | S | S | . | * | trans | -68 | 112.4 | 162 | -102.9 | -86.2 | 0 | 0 | 0 | 106.7 | V10 L11 L140 V141 P161 | V10-F159 VanDerWaalsContact O-CZ 3.32Å; V10-F159 WeakPolarHBondContact O-CZ 3.46Å; L11-F159 HydrophobicContact CD2-CE2 4.47Å; L140-F159 WeakPolarHBondContact O-CD1 3.46Å; V141-F159 HydrophobicContact CG2-CD1 4.32Å; V141-F159 HydrophobicContact CG2-CD2 4.23Å; V141-F159 HydrophobicContact CG2-CE1 3.97Å; V141-F159 HydrophobicContact CG2-CE2 3.87Å; V141-F159 HydrophobicContact CG2-CG 4.45Å; V141-F159 HydrophobicContact CG2-CZ 3.74Å; F159-P161 WeakPolarHBondContact O-CD 3.43Å | ||
| 160 | C | 35.2 | Very low | 37 | Very low | 38 Ų | 38 | 105 Ų | 105 | 26% | 0.257 | 55% | 0.548 | S | S | . | . | trans | -91.1 | 95.1 | 164.2 | -81.2 | 0 | 0 | 0 | 0 | 106.6 | F142 V158 F162 | F142-C160 HydrophobicContact CD2-CB 3.92Å; F142-C160 WeakPolarHBondContact CD2-SG 3.22Å; F142-C160 HydrophobicContact CE2-CB 3.86Å; F142-C160 VanDerWaalsContact CE2-SG 3.53Å; V158-C160 PolarHBondContact O-N 3.49Å; C160-F162 PolarHBondContact O-N 3.46Å; C160-F162 VanDerWaalsContact O-N 3.14Å | ||
| 161 | P | 30.4 | Very low | 36.3 | Very low | 63 Ų | 63 | 110 Ų | 110 | 41% | 0.409 | 55% | 0.55 | S | S | . | . | trans | -59.5 | 123.9 | 169.4 | 25.4 | -31.5 | 0 | 0 | 0 | 107.2 | F159 P163 A168 | F159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-P163 VanDerWaalsContact O-CD 3.32Å; P161-P163 WeakPolarHBondContact O-CD 3.48Å; P161-P163 VanDerWaalsContact O-N 3.13Å; P161-A168 HydrophobicContact CG-CB 4.47Å | ||
| 162 | F | 33.4 | Very low | 35.5 | Very low | 141 Ų | 141 | 111.3 Ų | 111.3 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | trans | -53.9 | 119.9 | 163.7 | -118.3 | -90.7 | 0 | 0 | 0 | 107.3 | V138 L139 C160 F164 | V138-F162 HydrophobicContact CG1-CD2 4.23Å; L139-F162 HydrophobicContact CB-CD2 4.39Å; L139-F162 HydrophobicContact CB-CE2 4Å; C160-F162 PolarHBondContact O-N 3.46Å; C160-F162 VanDerWaalsContact O-N 3.14Å; F162-F164 PolarHBondContact O-N 3.03Å; F162-F164 VanDerWaalsContact O-N 3.1Å | ||
| 163 | P | 34.8 | Very low | 34.7 | Very low | 84 Ų | 84 | 112 Ų | 112 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | trans | -76.9 | 109.7 | -177 | 28.4 | -29.2 | 0 | 0 | 0 | 108.6 | P161 K165 | P161-P163 VanDerWaalsContact O-CD 3.32Å; P161-P163 WeakPolarHBondContact O-CD 3.48Å; P161-P163 VanDerWaalsContact O-N 3.13Å; P163-K165 VanDerWaalsContact CB-C 3.4Å; P163-K165 PolarHBondContact O-N 2.85Å; P163-K165 VanDerWaalsContact O-N 3.11Å | ||
| 164 | F | 32.2 | Very low | 33.9 | Very low | 220 Ų | 220 | 110.4 Ų | 110.4 | 97% | 0.965 | 56% | 0.555 | S | S | * | * | S | Bend | -67.8 | 79.2 | 126.3 | -117.8 | -83.4 | 0 | 0 | 0 | 106.4 | F162 | F162-F164 PolarHBondContact O-N 3.03Å; F162-F164 VanDerWaalsContact O-N 3.1Å | |
| 165 | K | 25.6 | Very low | 32.8 | Very low | 182 Ų | 182 | 111.8 Ų | 111.8 | 79% | 0.791 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 58.4 | 126.9 | -172.2 | -89.4 | 176.6 | 171.6 | 178.3 | 0 | 116.2 | P163 | P163-K165 VanDerWaalsContact CB-C 3.4Å; P163-K165 PolarHBondContact O-N 2.85Å; P163-K165 VanDerWaalsContact O-N 3.11Å |
| 166 | N | 24.7 | Very low | 31.8 | Very low | 128 Ų | 128 | 120 Ų | 120 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 24.2 | 102.2 | 150.7 | -55.3 | -0.7 | 0 | 0 | 0 | 116.4 | ||
| 167 | D | 25.6 | Very low | 31 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | 163.1 | 108 | 121.5 | -75.2 | -19.2 | 0 | 0 | 0 | 108.3 | Q169 | D167-Q169 PolarHBondContact O-N 2.89Š| |||
| 168 | A | 29.3 | Very low | 30.4 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | trans | -78 | 111.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P161 | P161-A168 HydrophobicContact CG-CB 4.47Š| ||
| 169 | Q | 31.3 | Very low | 29.6 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 62% | 0.617 | 69% | 0.692 | S | S | * | * | trans | -92.6 | 116.7 | 170.3 | -74.1 | -165.1 | -36 | 0 | 0 | 110.3 | D167 W171 | D167-Q169 PolarHBondContact O-N 2.89Å; Q169-W171 PolarHBondContact O-N 2.75Å | ||
| 170 | L | 30.8 | Very low | 29 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 70% | 0.696 | 72% | 0.715 | S | S | * | * | trans | -67.5 | 118.1 | 168.3 | -77.4 | 156.9 | 0 | 0 | 0 | 109.6 | V158 | V158-L170 HydrophobicContact CB-CD2 4.45Å; V158-L170 HydrophobicContact CG1-CD2 4.04Å; V158-L170 HydrophobicContact CG2-CD2 3.79Å | ||
| 171 | W | 28.2 | Very low | 28.6 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 71% | 0.705 | 74% | 0.743 | S | S | * | * | trans | -102.4 | 111.7 | 169.9 | -75.5 | 84.7 | 0 | 0 | 0 | 110 | Q169 | Q169-W171 PolarHBondContact O-N 2.75Š| ||
| 172 | K | 24.6 | Very low | 28.5 | Very low | 202 Ų | 202 | 147.6 Ų | 147.6 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | trans | -79.5 | 113.7 | 165.9 | -76.2 | -169.1 | 174.2 | -172.5 | 0 | 108.6 | G174 | K172-G174 VanDerWaalsContact C-N 3.33Å; K172-G174 PolarHBondContact O-N 3.02Å; K172-G174 VanDerWaalsContact O-N 3.09Å | ||
| 173 | F | 28.1 | Very low | 28.1 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -76.1 | 91 | 161.8 | -83.6 | -83.5 | 0 | 0 | 0 | 108.3 | ||||
| 174 | G | 25.5 | Very low | 27.6 | Very low | 64 Ų | 64 | 153 Ų | 153 | 66% | 0.66 | 79% | 0.794 | S | S | * | * | trans | -97.9 | 138 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K172 S176 | K172-G174 VanDerWaalsContact C-N 3.33Å; K172-G174 PolarHBondContact O-N 3.02Å; K172-G174 VanDerWaalsContact O-N 3.09Å; G174-S176 PolarHBondContact O-N 3.14Å | ||
| 175 | N | 23 | Very low | 27.2 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | -57.1 | 119.3 | 175.7 | -75.4 | -24.3 | 0 | 0 | 0 | 110.6 | ||||
| 176 | S | 30.3 | Very low | 27.4 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 100% | 1.322 | 78% | 0.779 | S | S | * | * | trans | -95.2 | 0 | 152.8 | 60.3 | 0 | 0 | 0 | 0 | 109.2 | G174 | G174-S176 PolarHBondContact O-N 3.14Š|
Retrieved 176 of 176 residues in 929.5 ms
(Link to these results)