| 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 | 27.8 | Very low | 32 | Very low | 204 Ų | 204 | 89 Ų | 89 | 100% | 1.005 | 42% | 0.417 | S | S | * | . | 0 | 113 | 0 | -64.6 | -176.1 | -165.6 | 0 | 0 | 106.8 | Y3 | M1-Y3 HydrophobicContact CB-CE2 3.96Å; M1-Y3 WeakPolarHBondContact O-CD2 3.09Å | |||
| 2 | E | 25.2 | Very low | 32.3 | Very low | 184 Ų | 184 | 85.8 Ų | 85.8 | 86% | 0.86 | 40% | 0.401 | S | S | * | . | trans | -82 | 128.5 | 175.3 | -64.8 | -177.2 | 156.4 | 0 | 0 | 108.3 | ||||
| 3 | Y | 26.9 | Very low | 32.5 | Very low | 157 Ų | 157 | 80.5 Ų | 80.5 | 62% | 0.616 | 38% | 0.379 | S | S | * | . | trans | -106.1 | 119.1 | 175.8 | -65.2 | -87.6 | 0 | 0 | 0 | 107.8 | M1 P116 | M1-Y3 HydrophobicContact CB-CE2 3.96Å; M1-Y3 WeakPolarHBondContact O-CD2 3.09Å; Y3-P116 HydrophobicContact CE1-CB 4.35Å | ||
| 4 | V | 28.5 | Very low | 32.7 | Very low | 75 Ų | 75 | 82.5 Ų | 82.5 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | trans | -84.8 | 118.1 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | I6 L117 | V4-I6 HydrophobicContact CG1-CG1 3.86Å; V4-I6 PolarHBondContact O-N 2.88Å; V4-L117 HydrophobicContact CB-CD1 3.79Å; V4-L117 HydrophobicContact CG2-CD1 3.7Å | ||
| 5 | L | 28.7 | Very low | 32.8 | Very low | 87 Ų | 87 | 82.7 Ų | 82.7 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | trans | -86.3 | 85.4 | 178 | -154.9 | 75.5 | 0 | 0 | 0 | 108.5 | Y7 F114 | L5-Y7 HydrophobicContact CB-CE2 4.38Å; L5-Y7 HydrophobicContact CD2-CE1 4.39Å; L5-Y7 HydrophobicContact CD2-CE2 3.42Å; L5-Y7 VanDerWaalsContact CD2-CE2 3.42Å; L5-Y7 WeakPolarHBondContact CD2-OH 2.95Å; L5-Y7 HydrophobicContact CG-CD2 4.44Å; L5-Y7 HydrophobicContact CG-CE1 4.43Å; L5-Y7 HydrophobicContact CG-CE2 3.73Å; L5-Y7 PolarHBondContact O-N 3.32Å; L5-F114 VanDerWaalsContact CA-CE1 3.48Å; L5-F114 HydrophobicContact CB-CE1 4.12Å; L5-F114 HydrophobicContact CB-CZ 4.36Å; L5-F114 HydrophobicContact CD1-CD1 3.91Å; L5-F114 HydrophobicContact CD1-CD2 3.82Å; L5-F114 HydrophobicContact CD1-CE1 3.42Å; L5-F114 VanDerWaalsContact CD1-CE1 3.42Å; L5-F114 HydrophobicContact CD1-CE2 3.3Å; L5-F114 HydrophobicContact CD1-CG 4.12Å; L5-F114 HydrophobicContact CD1-CZ 3.1Å; L5-F114 HydrophobicContact CG-CD1 4.49Å; L5-F114 HydrophobicContact CG-CE1 3.62Å; L5-F114 HydrophobicContact CG-CE2 4.07Å; L5-F114 HydrophobicContact CG-CZ 3.37Å | ||
| 6 | I | 30.2 | Very low | 32.7 | Very low | 55 Ų | 55 | 86.4 Ų | 86.4 | 28% | 0.282 | 41% | 0.407 | S | S | . | . | trans | -78.5 | 112.2 | 173.2 | -52.1 | 178.9 | 0 | 0 | 0 | 110 | V4 D25 A27 F114 | V4-I6 HydrophobicContact CG1-CG1 3.86Å; V4-I6 PolarHBondContact O-N 2.88Å; I6-D25 WeakPolarHBondContact CG2-OD1 3.37Å; I6-A27 HydrophobicContact CD1-CB 3.97Å; I6-A27 HydrophobicContact CG1-CB 4.15Å; I6-F114 VanDerWaalsContact O-CE1 3.27Å; I6-F114 WeakPolarHBondContact O-CE1 3.38Å | ||
| 7 | Y | 33.5 | Very low | 32.8 | Very low | 79 Ų | 79 | 91.2 Ų | 91.2 | 31% | 0.31 | 44% | 0.436 | S | S | . | . | trans | -96.4 | 114 | 171.5 | -67.6 | -76.2 | 0 | 0 | 0 | 110.1 | L5 I9 L88 F114 | L5-Y7 HydrophobicContact CB-CE2 4.38Å; L5-Y7 HydrophobicContact CD2-CE1 4.39Å; L5-Y7 HydrophobicContact CD2-CE2 3.42Å; L5-Y7 VanDerWaalsContact CD2-CE2 3.42Å; L5-Y7 WeakPolarHBondContact CD2-OH 2.95Å; L5-Y7 HydrophobicContact CG-CD2 4.44Å; L5-Y7 HydrophobicContact CG-CE1 4.43Å; L5-Y7 HydrophobicContact CG-CE2 3.73Å; L5-Y7 PolarHBondContact O-N 3.32Å; Y7-I9 PolarHBondContact O-N 3.14Å; Y7-L88 HydrophobicContact CD1-CD1 4.14Å; Y7-L88 HydrophobicContact CE1-CD1 3.68Å; Y7-F114 HydrophobicContact CD1-CZ 4.43Å; Y7-F114 HydrophobicContact CE1-CZ 4.21Å | ||
| 8 | N | 34.4 | Very low | 32.8 | Very low | 34 Ų | 34 | 94.7 Ų | 94.7 | 18% | 0.182 | 45% | 0.449 | C | S | . | . | trans | -88.8 | 105.2 | 170.9 | -71.1 | -66.9 | 0 | 0 | 0 | 109.1 | F23 T112 | N8-F23 WeakPolarHBondContact OD1-CE2 3.42Å; N8-F23 WeakPolarHBondContact OD1-CZ 3.38Å; N8-T112 HydrophobicContact CB-CG2 4.48Å | ||
| 9 | I | 38.7 | Very low | 32.9 | Very low | 20 Ų | 20 | 93.9 Ų | 93.9 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.1 | 173.5 | -53.6 | 176.2 | 0 | 0 | 0 | 108 | Y7 F11 F91 | Y7-I9 PolarHBondContact O-N 3.14Å; I9-F11 HydrophobicContact CB-CE2 3.94Å; I9-F11 HydrophobicContact CB-CZ 4.19Å; I9-F11 HydrophobicContact CG2-CD2 4.19Å; I9-F11 HydrophobicContact CG2-CE1 4.04Å; I9-F11 HydrophobicContact CG2-CE2 3.49Å; I9-F11 VanDerWaalsContact CG2-CE2 3.49Å; I9-F11 HydrophobicContact CG2-CZ 3.39Å; I9-F91 HydrophobicContact CD1-CE1 4.02Å; I9-F91 HydrophobicContact CD1-CZ 4.01Å |
| 10 | W | 36.9 | Very low | 32.9 | Very low | 80 Ų | 80 | 90.4 Ų | 90.4 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 119 | 179.2 | -60.8 | 82.6 | 0 | 0 | 0 | 109.3 | F12 F21 F23 | W10-F12 HydrophobicContact CB-CE2 4.2Å; W10-F21 HydrophobicContact CE3-CD1 4.08Å; W10-F21 HydrophobicContact CZ3-CD1 4.14Å; W10-F23 AromaticContact CH2-CD2 3.89Å; W10-F23 HydrophobicContact CH2-CD2 3.89Å; W10-F23 HydrophobicContact CH2-CE2 4.38Å; W10-F23 HydrophobicContact CZ2-CD2 4.03Å; W10-F23 HydrophobicContact CZ2-CE2 4.23Å; W10-F23 HydrophobicContact CZ3-CD2 4.3Å |
| 11 | F | 41.3 | Very low | 33.1 | Very low | 4 Ų | 4 | 91.6 Ų | 91.6 | 2% | 0.018 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127 | 174.4 | -56.4 | -95.2 | 0 | 0 | 0 | 109.3 | I9 C22 V24 L41 A43 L63 L95 L107 | I9-F11 HydrophobicContact CB-CE2 3.94Å; I9-F11 HydrophobicContact CB-CZ 4.19Å; I9-F11 HydrophobicContact CG2-CD2 4.19Å; I9-F11 HydrophobicContact CG2-CE1 4.04Å; I9-F11 HydrophobicContact CG2-CE2 3.49Å; I9-F11 VanDerWaalsContact CG2-CE2 3.49Å; I9-F11 HydrophobicContact CG2-CZ 3.39Å; F11-C22 HydrophobicContact CB-CB 4.11Å; F11-C22 HydrophobicContact CD2-CB 4.28Å; F11-V24 HydrophobicContact CD2-CG2 4.46Å; F11-V24 HydrophobicContact CE2-CG2 3.87Å; F11-L41 HydrophobicContact CD1-CB 4.38Å; F11-A43 HydrophobicContact CE1-CB 4.44Å; F11-A43 HydrophobicContact CE2-CB 4.42Å; F11-A43 HydrophobicContact CZ-CB 3.67Å; F11-L63 HydrophobicContact CE1-CD2 4.2Å; F11-L95 HydrophobicContact CE1-CD2 4.35Å; F11-L107 HydrophobicContact CD1-CD2 3.44Å; F11-L107 VanDerWaalsContact CD1-CD2 3.44Å; F11-L107 HydrophobicContact CE1-CD2 3.87Å |
| 12 | F | 35.9 | Very low | 33.5 | Very low | 51 Ų | 51 | 82.1 Ų | 82.1 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 106.6 | 170.3 | -72.9 | -87.9 | 0 | 0 | 0 | 108.6 | W10 F21 K106 L108 | W10-F12 HydrophobicContact CB-CE2 4.2Å; F12-F21 AromaticContact CE1-CD1 3.74Å; F12-F21 HydrophobicContact CE1-CD1 3.74Å; F12-F21 AromaticContact CE1-CE1 3.32Å; F12-F21 HydrophobicContact CE1-CE1 3.32Å; F12-F21 HydrophobicContact CE1-CE2 4.19Å; F12-F21 HydrophobicContact CE1-CG 4.36Å; F12-F21 AromaticContact CE1-CZ 3.57Å; F12-F21 HydrophobicContact CE1-CZ 3.57Å; F12-F21 AromaticContact CZ-CD1 3.78Å; F12-F21 HydrophobicContact CZ-CD1 3.78Å; F12-F21 AromaticContact CZ-CE1 3.35Å; F12-F21 HydrophobicContact CZ-CE1 3.35Å; F12-F21 HydrophobicContact CZ-CZ 4.03Å; F12-K106 PolarHBondContact O-N 3.34Å; F12-L108 HydrophobicContact CD2-CB 4.07Å; F12-L108 HydrophobicContact CE2-CB 4.4Å; F12-L108 HydrophobicContact CE2-CD2 4.15Å |
| 13 | S | 35.1 | Very low | 34 | Very low | 17 Ų | 17 | 77.4 Ų | 77.4 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.2 | 172 | -168.7 | 0 | 0 | 0 | 0 | 108.9 | L15 | S13-L15 PolarHBondContact O-N 2.06Å; S13-L15 WeakPolarHBondContact OG-CD1 3.39Å |
| 14 | F | 34.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 70.7 Ų | 70.7 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | trans | -91.9 | 57.2 | 169.7 | -72.1 | -88.6 | 0 | 0 | 0 | 109 | K106 | F14-K106 HydrophobicContact CD2-CB 4.31Å; F14-K106 HydrophobicContact CD2-CD 4.05Å; F14-K106 HydrophobicContact CD2-CG 4.39Å; F14-K106 HydrophobicContact CE2-CB 4.29Å; F14-K106 HydrophobicContact CE2-CD 3.79Å; F14-K106 HydrophobicContact CE2-CG 4.47Å | ||
| 15 | L | 34.2 | Very low | 35 | Very low | 86 Ų | 86 | 71.3 Ų | 71.3 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -95 | 104.9 | 169.3 | -97.9 | 127.4 | 0 | 0 | 0 | 107.1 | S13 | S13-L15 PolarHBondContact O-N 2.06Å; S13-L15 WeakPolarHBondContact OG-CD1 3.39Å |
| 16 | Q | 32.2 | Very low | 35.4 | Very low | 142 Ų | 142 | 70.6 Ų | 70.6 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 76.5 | 56.6 | 176.7 | -54.8 | 177.2 | -13.8 | 0 | 0 | 117.5 | K18 | Q16-K18 PolarHBondContact O-N 2.63Š|
| 17 | D | 34 | Very low | 35.2 | Very low | 168 Ų | 168 | 70.2 Ų | 70.2 | 90% | 0.898 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 58.3 | 12.4 | 164.4 | -66.5 | -48.8 | 0 | 0 | 0 | 117.1 | ||
| 18 | K | 33.1 | Very low | 34.7 | Very low | 154 Ų | 154 | 72.2 Ų | 72.2 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -131 | 127.5 | 177 | -67.4 | -177.6 | -178.3 | 175.8 | 0 | 110.6 | Q16 C20 | Q16-K18 PolarHBondContact O-N 2.63Å; K18-C20 PolarHBondContact O-N 3.41Å; K18-C20 VanDerWaalsContact O-N 3.14Å |
| 19 | P | 34.6 | Very low | 34.2 | Very low | 80 Ų | 80 | 75.8 Ų | 75.8 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -70.1 | 110.3 | 175.5 | 28 | -31.9 | 0 | 0 | 0 | 109.3 | F21 | P19-F21 HydrophobicContact CB-CE2 4.5Š| ||
| 20 | C | 33.7 | Very low | 33.5 | Very low | 22 Ų | 22 | 81.9 Ų | 81.9 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.6 | 169.8 | -75.5 | 0 | 0 | 0 | 0 | 110 | K18 C37 | K18-C20 PolarHBondContact O-N 3.41Å; K18-C20 VanDerWaalsContact O-N 3.14Å; C20-C37 HydrophobicContact CB-CB 3.56Å; C20-C37 WeakPolarHBondContact CB-SG 3.5Å; C20-C37 WeakPolarHBondContact SG-CB 3.46Å; C20-C37 CovalentContact SG-SG 2.06Å; C20-C37 PolarHBondContact SG-SG 2.88Å |
| 21 | F | 35.5 | Very low | 32.8 | Very low | 117 Ų | 117 | 87.2 Ų | 87.2 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.3 | 174.9 | -71.1 | -99.4 | 0 | 0 | 0 | 109.1 | W10 F12 P19 | W10-F21 HydrophobicContact CE3-CD1 4.08Å; W10-F21 HydrophobicContact CZ3-CD1 4.14Å; F12-F21 AromaticContact CE1-CD1 3.74Å; F12-F21 HydrophobicContact CE1-CD1 3.74Å; F12-F21 AromaticContact CE1-CE1 3.32Å; F12-F21 HydrophobicContact CE1-CE1 3.32Å; F12-F21 HydrophobicContact CE1-CE2 4.19Å; F12-F21 HydrophobicContact CE1-CG 4.36Å; F12-F21 AromaticContact CE1-CZ 3.57Å; F12-F21 HydrophobicContact CE1-CZ 3.57Å; F12-F21 AromaticContact CZ-CD1 3.78Å; F12-F21 HydrophobicContact CZ-CD1 3.78Å; F12-F21 AromaticContact CZ-CE1 3.35Å; F12-F21 HydrophobicContact CZ-CE1 3.35Å; F12-F21 HydrophobicContact CZ-CZ 4.03Å; P19-F21 HydrophobicContact CB-CE2 4.5Å |
| 22 | C | 36.3 | Very low | 32 | Very low | 5 Ų | 5 | 95.2 Ų | 95.2 | 3% | 0.034 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126 | 171.8 | -61.7 | 0 | 0 | 0 | 0 | 109.1 | F11 C40 | F11-C22 HydrophobicContact CB-CB 4.11Å; F11-C22 HydrophobicContact CD2-CB 4.28Å; C22-C40 HydrophobicContact CB-CB 3.75Å; C22-C40 WeakPolarHBondContact CB-SG 3.32Å; C22-C40 WeakPolarHBondContact SG-CA 3.17Å; C22-C40 WeakPolarHBondContact SG-CB 3Å; C22-C40 CovalentContact SG-SG 2.03Å; C22-C40 PolarHBondContact SG-SG 3.33Å |
| 23 | F | 37.2 | Very low | 31.7 | Very low | 85 Ų | 85 | 96.7 Ų | 96.7 | 37% | 0.373 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112 | -175.9 | 179.1 | -96.8 | 0 | 0 | 0 | 109.5 | N8 W10 D25 L33 | N8-F23 WeakPolarHBondContact OD1-CE2 3.42Å; N8-F23 WeakPolarHBondContact OD1-CZ 3.38Å; W10-F23 AromaticContact CH2-CD2 3.89Å; W10-F23 HydrophobicContact CH2-CD2 3.89Å; W10-F23 HydrophobicContact CH2-CE2 4.38Å; W10-F23 HydrophobicContact CZ2-CD2 4.03Å; W10-F23 HydrophobicContact CZ2-CE2 4.23Å; W10-F23 HydrophobicContact CZ3-CD2 4.3Å; F23-D25 HydrophobicContact CD1-CB 4.27Å; F23-D25 HydrophobicContact CE1-CB 3.52Å; F23-D25 WeakPolarHBondContact CE1-OD2 3.47Å; F23-D25 HydrophobicContact CZ-CB 4.16Å; F23-L33 WeakPolarHBondContact O-CD2 3.32Å; F23-L33 WeakPolarHBondContact O-CG 2.97Å |
| 24 | V | 40.3 | Very low | 31.4 | Very low | 16 Ų | 16 | 100.5 Ų | 100.5 | 10% | 0.097 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 109.6 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 108 | F11 Y26 L33 | F11-V24 HydrophobicContact CD2-CG2 4.46Å; F11-V24 HydrophobicContact CE2-CG2 3.87Å; V24-Y26 HydrophobicContact CG1-CD2 4.12Å; V24-Y26 HydrophobicContact CG1-CE2 4.15Å; V24-L33 HydrophobicContact CG2-CD1 4.25Å; V24-L33 HydrophobicContact CG2-CD2 4.32Å |
| 25 | D | 34.6 | Very low | 31.3 | Very low | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | trans | -84.7 | 125.4 | 174.4 | -141.2 | -28.6 | 0 | 0 | 0 | 110.1 | I6 F23 | I6-D25 WeakPolarHBondContact CG2-OD1 3.37Å; F23-D25 HydrophobicContact CD1-CB 4.27Å; F23-D25 HydrophobicContact CE1-CB 3.52Å; F23-D25 WeakPolarHBondContact CE1-OD2 3.47Å; F23-D25 HydrophobicContact CZ-CB 4.16Å | ||
| 26 | Y | 36.8 | Very low | 31.1 | Very low | 72 Ų | 72 | 105.3 Ų | 105.3 | 28% | 0.282 | 55% | 0.554 | S | S | . | * | trans | -100.2 | 37.7 | -176.2 | -116.7 | -81 | 0 | 0 | 0 | 112.5 | V24 A45 | V24-Y26 HydrophobicContact CG1-CD2 4.12Å; V24-Y26 HydrophobicContact CG1-CE2 4.15Å; Y26-A45 WeakPolarHBondContact OH-CA 2.89Å; Y26-A45 WeakPolarHBondContact OH-CB 2.98Å; Y26-A45 PolarHBondContact OH-N 2.03Å; Y26-A45 PolarHBondContact OH-O 3.42Å | ||
| 27 | A | 26.6 | Very low | 30.8 | Very low | 46 Ų | 46 | 100.2 Ų | 100.2 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -120.5 | 102.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I6 | I6-A27 HydrophobicContact CD1-CB 3.97Å; I6-A27 HydrophobicContact CG1-CB 4.15Å |
| 28 | C | 23.4 | Very low | 30.6 | Very low | 121 Ų | 121 | 95.9 Ų | 95.9 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 59 | 115.2 | 171.1 | -92.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 29 | S | 23.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 92.2 Ų | 92.2 | 77% | 0.769 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 72.6 | 131.1 | 155.9 | -42 | 0 | 0 | 0 | 0 | 115.9 | F31 | S29-F31 PolarHBondContact O-N 3.41Š|
| 30 | I | 24.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 89.5 Ų | 89.5 | 75% | 0.754 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -69.4 | 67.7 | -179.4 | -56.7 | 157.6 | 0 | 0 | 0 | 109.5 | ||
| 31 | F | 22.6 | Very low | 30.8 | Very low | 193 Ų | 193 | 89.5 Ų | 89.5 | 85% | 0.846 | 50% | 0.498 | S | S | * | . | trans | -157.8 | 128.8 | 169.2 | -90.5 | -78.1 | 0 | 0 | 0 | 109.3 | S29 | S29-F31 PolarHBondContact O-N 3.41Š| ||
| 32 | L | 23.6 | Very low | 30.8 | Very low | 172 Ų | 172 | 86.4 Ų | 86.4 | 90% | 0.901 | 49% | 0.489 | S | S | * | . | trans | 95.4 | 71.7 | 173.2 | -55.1 | 154.5 | 0 | 0 | 0 | 116.1 | ||||
| 33 | L | 30.6 | Very low | 30.7 | Very low | 82 Ų | 82 | 86.6 Ų | 86.6 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | trans | -89.7 | 111.5 | 143.1 | -99.9 | 116.6 | 0 | 0 | 0 | 108.1 | F23 V24 S35 | F23-L33 WeakPolarHBondContact O-CD2 3.32Å; F23-L33 WeakPolarHBondContact O-CG 2.97Å; V24-L33 HydrophobicContact CG2-CD1 4.25Å; V24-L33 HydrophobicContact CG2-CD2 4.32Å; L33-S35 PolarHBondContact O-N 2.81Å | ||
| 34 | S | 28.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 85.5 Ų | 85.5 | 68% | 0.678 | 49% | 0.491 | S | S | * | . | trans | -74.2 | 99.6 | 163.6 | 68 | 0 | 0 | 0 | 0 | 108.3 | Y36 | S34-Y36 PolarHBondContact O-N 3.34Š| ||
| 35 | S | 31 | Very low | 30 | Very low | 79 Ų | 79 | 85.4 Ų | 85.4 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | trans | -75.9 | 110.5 | 174.5 | 46.1 | 0 | 0 | 0 | 0 | 110.1 | L33 C37 | L33-S35 PolarHBondContact O-N 2.81Å; S35-C37 WeakPolarHBondContact CB-O 3.22Å | ||
| 36 | Y | 29.8 | Very low | 29.7 | Very low | 216 Ų | 216 | 84.7 Ų | 84.7 | 85% | 0.847 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -85.1 | 3.4 | 164.4 | -84.4 | -83.7 | 0 | 0 | 0 | 113 | S34 | S34-Y36 PolarHBondContact O-N 3.34Š|
| 37 | C | 27.3 | Very low | 29.5 | Very low | 34 Ų | 34 | 88.7 Ų | 88.7 | 23% | 0.23 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -141 | 131.4 | 167 | -86.8 | 0 | 0 | 0 | 0 | 108.4 | C20 S35 N39 | C20-C37 HydrophobicContact CB-CB 3.56Å; C20-C37 WeakPolarHBondContact CB-SG 3.5Å; C20-C37 WeakPolarHBondContact SG-CB 3.46Å; C20-C37 CovalentContact SG-SG 2.06Å; C20-C37 PolarHBondContact SG-SG 2.88Å; S35-C37 WeakPolarHBondContact CB-O 3.22Å; C37-N39 PolarHBondContact O-N 3.27Å |
| 38 | G | 30.2 | Very low | 29.5 | Very low | 77 Ų | 77 | 90 Ų | 90 | 79% | 0.794 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -61.8 | 6.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 39 | N | 36 | Very low | 29.7 | Very low | 77 Ų | 77 | 92.7 Ų | 92.7 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -140.8 | 84.7 | -175.1 | -67.6 | -33.5 | 0 | 0 | 0 | 110.4 | C37 S68 | C37-N39 PolarHBondContact O-N 3.27Å; N39-S68 PolarHBondContact ND2-OG 2.87Å | ||
| 40 | C | 33.5 | Very low | 29.9 | Very low | 23 Ų | 23 | 94.9 Ų | 94.9 | 16% | 0.155 | 52% | 0.518 | C | S | . | . | trans | -105.6 | 132.4 | 168.5 | -75.7 | 0 | 0 | 0 | 0 | 110.8 | C22 T42 | C22-C40 HydrophobicContact CB-CB 3.75Å; C22-C40 WeakPolarHBondContact CB-SG 3.32Å; C22-C40 WeakPolarHBondContact SG-CA 3.17Å; C22-C40 WeakPolarHBondContact SG-CB 3Å; C22-C40 CovalentContact SG-SG 2.03Å; C22-C40 PolarHBondContact SG-SG 3.33Å; C40-T42 PolarHBondContact O-N 3.19Å | ||
| 41 | L | 35.1 | Very low | 29.9 | Very low | 22 Ų | 22 | 96.8 Ų | 96.8 | 12% | 0.115 | 53% | 0.526 | C | S | . | . | trans | -65.7 | 116.5 | 167.5 | -72.9 | 155.3 | 0 | 0 | 0 | 108 | F11 L65 L105 | F11-L41 HydrophobicContact CD1-CB 4.38Å; L41-L65 HydrophobicContact CD2-CB 4.25Å; L41-L65 HydrophobicContact CD2-CD2 3.47Å; L41-L65 VanDerWaalsContact CD2-CD2 3.47Å; L41-L65 HydrophobicContact CD2-CG 3.48Å; L41-L65 VanDerWaalsContact CD2-CG 3.48Å; L41-L105 HydrophobicContact CD1-CD2 3.29Å; L41-L105 HydrophobicContact CD1-CG 3.97Å | ||
| 42 | T | 35.3 | Very low | 30.2 | Very low | 53 Ų | 53 | 90 Ų | 90 | 33% | 0.325 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.5 | 177.6 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | C40 V64 | C40-T42 PolarHBondContact O-N 3.19Å; T42-V64 PolarHBondContact O-N 3.25Å |
| 43 | A | 33.7 | Very low | 30.3 | Very low | 8 Ų | 8 | 88.5 Ų | 88.5 | 7% | 0.066 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 98.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | F11 A45 L61 T62 L63 | F11-A43 HydrophobicContact CE1-CB 4.44Å; F11-A43 HydrophobicContact CE2-CB 4.42Å; F11-A43 HydrophobicContact CZ-CB 3.67Å; A43-A45 PolarHBondContact O-N 2.89Å; A43-L61 HydrophobicContact CB-CD1 3.67Å; A43-L61 HydrophobicContact CB-CD2 4.49Å; A43-L61 HydrophobicContact CB-CG 4.12Å; A43-T62 CarbonylContact C-O 3.53Å; A43-T62 VanDerWaalsContact CA-O 3.32Å; A43-T62 WeakPolarHBondContact CA-O 3.2Å; A43-L63 HydrophobicContact CB-CD2 3.77Å; A43-L63 HydrophobicContact CB-CG 4.48Å |
| 44 | V | 32 | Very low | 30.1 | Very low | 63 Ų | 63 | 88.9 Ų | 88.9 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 104.2 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | T46 T62 | V44-T46 HydrophobicContact CG1-CG2 4.05Å; V44-T62 PolarHBondContact N-O 3.09Å; V44-T62 WeakPolarHBondContact O-CB 3.05Å; V44-T62 PolarHBondContact O-N 2.96Å |
| 45 | A | 31.3 | Very low | 30.2 | Very low | 14 Ų | 14 | 90.8 Ų | 90.8 | 12% | 0.116 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 103.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y26 A43 K47 P59 L60 L61 | Y26-A45 WeakPolarHBondContact OH-CA 2.89Å; Y26-A45 WeakPolarHBondContact OH-CB 2.98Å; Y26-A45 PolarHBondContact OH-N 2.03Å; Y26-A45 PolarHBondContact OH-O 3.42Å; A43-A45 PolarHBondContact O-N 2.89Å; A45-K47 PolarHBondContact O-N 3.28Å; A45-P59 HydrophobicContact CB-CB 3.67Å; A45-L60 WeakPolarHBondContact CA-O 3.2Å; A45-L61 HydrophobicContact CB-CD1 4.2Å |
| 46 | T | 29.5 | Very low | 30 | Very low | 73 Ų | 73 | 96 Ų | 96 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.6 | 171.5 | 43.5 | 0 | 0 | 0 | 0 | 108.5 | V44 | V44-T46 HydrophobicContact CG1-CG2 4.05Å |
| 47 | K | 30.8 | Very low | 30 | Very low | 155 Ų | 155 | 88.4 Ų | 88.4 | 67% | 0.674 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 122.6 | 163.7 | -154 | -179.7 | -174.3 | -177.3 | 0 | 106 | A45 N49 | A45-K47 PolarHBondContact O-N 3.28Å; K47-N49 PolarHBondContact O-N 3.49Å |
| 48 | P | 28.1 | Very low | 30.3 | Very low | 73 Ų | 73 | 90 Ų | 90 | 47% | 0.474 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.9 | 163.7 | 24.3 | -27.1 | 0 | 0 | 0 | 106.8 | E50 | P48-E50 PolarHBondContact O-N 3.45Š|
| 49 | N | 27.5 | Very low | 30.6 | Very low | 178 Ų | 178 | 89.4 Ų | 89.4 | 95% | 0.952 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -67.5 | 74.1 | -177.5 | -133.4 | 4.5 | 0 | 0 | 0 | 108.9 | K47 | K47-N49 PolarHBondContact O-N 3.49Š|
| 50 | E | 26.5 | Very low | 30.4 | Very low | 156 Ų | 156 | 89 Ų | 89 | 73% | 0.729 | 50% | 0.497 | S | S | * | . | trans | -131 | 123 | 168.6 | -83.9 | -168.9 | 148.5 | 0 | 0 | 109.6 | P48 A52 | P48-E50 PolarHBondContact O-N 3.45Å; E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.45Å | ||
| 51 | M | 25.1 | Very low | 30.6 | Very low | 187 Ų | 187 | 89.9 Ų | 89.9 | 92% | 0.921 | 50% | 0.499 | S | S | * | . | trans | -56 | 87.1 | 175 | -157.4 | 162 | -171.5 | 0 | 0 | 109.4 | T53 | M51-T53 PolarHBondContact O-N 3.18Š| ||
| 52 | A | 29.3 | Very low | 30.6 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | trans | -81.2 | 89.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E50 T54 S57 | E50-A52 VanDerWaalsContact C-N 3.31Å; E50-A52 PolarHBondContact O-N 3.45Å; A52-T54 PolarHBondContact O-N 3.15Å; A52-S57 WeakPolarHBondContact CB-OG 3.33Å | ||
| 53 | T | 25.9 | Very low | 30.6 | Very low | 139 Ų | 139 | 90.8 Ų | 90.8 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -73.4 | 10.7 | 159.2 | 40.2 | 0 | 0 | 0 | 0 | 112.7 | M51 | M51-T53 PolarHBondContact O-N 3.18Š|
| 54 | T | 26.5 | Very low | 30.6 | Very low | 90 Ų | 90 | 92.8 Ų | 92.8 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -140.7 | 142 | 173.3 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | A52 K56 | A52-T54 PolarHBondContact O-N 3.15Å; T54-K56 VanDerWaalsContact C-N 3.26Å; T54-K56 PolarHBondContact O-N 3.45Å |
| 55 | P | 29.4 | Very low | 30.8 | Very low | 137 Ų | 137 | 91.9 Ų | 91.9 | 89% | 0.89 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -78.3 | 75.8 | -179.9 | 33.1 | -32.7 | 0 | 0 | 0 | 109.3 | ||
| 56 | K | 26.8 | Very low | 30.8 | Very low | 189 Ų | 189 | 96.8 Ų | 96.8 | 82% | 0.822 | 53% | 0.533 | S | S | * | . | trans | -139.9 | 3.4 | 178.7 | -92.8 | -170 | 178.5 | 178.6 | 0 | 116.6 | T54 | T54-K56 VanDerWaalsContact C-N 3.26Å; T54-K56 PolarHBondContact O-N 3.45Å | ||
| 57 | S | 30.3 | Very low | 30.8 | Very low | 57 Ų | 57 | 95.9 Ų | 95.9 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | trans | -107.3 | 107.7 | 178.2 | 34.6 | 0 | 0 | 0 | 0 | 111.9 | A52 | A52-S57 WeakPolarHBondContact CB-OG 3.33Š| ||
| 58 | I | 33.9 | Very low | 31 | Very low | 67 Ų | 67 | 89.9 Ų | 89.9 | 34% | 0.344 | 51% | 0.505 | S | S | . | . | trans | -89.4 | 140.5 | -177.8 | -63.2 | 154.4 | 0 | 0 | 0 | 109.3 | F84 F85 | I58-F84 HydrophobicContact CD1-CD1 4.38Å; I58-F85 VanDerWaalsContact CD1-O 3.24Å; I58-F85 WeakPolarHBondContact CD1-O 3.44Å | ||
| 59 | P | 36.4 | Very low | 31.1 | Very low | 64 Ų | 64 | 92 Ų | 92 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | trans | -68.6 | 139.5 | 179.2 | 25.4 | -33.2 | 0 | 0 | 0 | 113.4 | A45 | A45-P59 HydrophobicContact CB-CB 3.67Š| ||
| 60 | L | 31.4 | Very low | 31.2 | Very low | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 90.9 | -173.6 | -135.7 | 154.6 | 0 | 0 | 0 | 110.5 | A45 T62 V82 | A45-L60 WeakPolarHBondContact CA-O 3.2Å; L60-T62 PolarHBondContact O-N 3.23Å; L60-V82 HydrophobicContact CD2-CG1 3.77Å; L60-V82 HydrophobicContact CD2-CG2 3.89Å; L60-V82 HydrophobicContact CG-CG1 3.99Å |
| 61 | L | 38.2 | Very low | 31.6 | Very low | 40 Ų | 40 | 87.1 Ų | 87.1 | 21% | 0.209 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.7 | -172.1 | -160.8 | 84.1 | 0 | 0 | 0 | 112.6 | A43 A45 L63 F91 | A43-L61 HydrophobicContact CB-CD1 3.67Å; A43-L61 HydrophobicContact CB-CD2 4.49Å; A43-L61 HydrophobicContact CB-CG 4.12Å; A45-L61 HydrophobicContact CB-CD1 4.2Å; L61-L63 HydrophobicContact CD2-CD1 3.81Å; L61-L63 HydrophobicContact CD2-CD2 4.36Å; L61-L63 HydrophobicContact CD2-CG 3.85Å; L61-L63 HydrophobicContact CG-CG 4.38Å; L61-F91 HydrophobicContact CB-CE2 4.22Å; L61-F91 HydrophobicContact CD1-CE2 4.12Å; L61-F91 HydrophobicContact CD1-CZ 3.92Å; L61-F91 HydrophobicContact CD2-CE2 3.86Å; L61-F91 HydrophobicContact CD2-CZ 3.98Å; L61-F91 HydrophobicContact CG-CE2 4.29Å; L61-F91 HydrophobicContact CG-CZ 4.46Å |
| 62 | T | 34.8 | Very low | 31.7 | Very low | 69 Ų | 69 | 83 Ų | 83 | 42% | 0.423 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.9 | 167.7 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | A43 V44 L60 V64 | A43-T62 CarbonylContact C-O 3.53Å; A43-T62 VanDerWaalsContact CA-O 3.32Å; A43-T62 WeakPolarHBondContact CA-O 3.2Å; V44-T62 PolarHBondContact N-O 3.09Å; V44-T62 WeakPolarHBondContact O-CB 3.05Å; V44-T62 PolarHBondContact O-N 2.96Å; L60-T62 PolarHBondContact O-N 3.23Å; T62-V64 HydrophobicContact CG2-CG2 4.24Å |
| 63 | L | 35.4 | Very low | 31.6 | Very low | 25 Ų | 25 | 83.7 Ų | 83.7 | 13% | 0.131 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 119.2 | 175.2 | -77.4 | 159.1 | 0 | 0 | 0 | 109.6 | F11 A43 L61 L98 | F11-L63 HydrophobicContact CE1-CD2 4.2Å; A43-L63 HydrophobicContact CB-CD2 3.77Å; A43-L63 HydrophobicContact CB-CG 4.48Å; L61-L63 HydrophobicContact CD2-CD1 3.81Å; L61-L63 HydrophobicContact CD2-CD2 4.36Å; L61-L63 HydrophobicContact CD2-CG 3.85Å; L61-L63 HydrophobicContact CG-CG 4.38Å; L63-L98 HydrophobicContact CD1-CD2 3.53Å |
| 64 | V | 34.1 | Very low | 31.9 | Very low | 50 Ų | 50 | 81.3 Ų | 81.3 | 30% | 0.303 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.4 | 173.8 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | T42 T62 | T42-V64 PolarHBondContact O-N 3.25Å; T62-V64 HydrophobicContact CG2-CG2 4.24Å |
| 65 | L | 35 | Very low | 32.1 | Very low | 44 Ų | 44 | 81.5 Ų | 81.5 | 23% | 0.23 | 49% | 0.488 | C | S | . | . | trans | -86.3 | 113.7 | 171.8 | -79.8 | 128.6 | 0 | 0 | 0 | 109.4 | L41 I77 I102 L105 | L41-L65 HydrophobicContact CD2-CB 4.25Å; L41-L65 HydrophobicContact CD2-CD2 3.47Å; L41-L65 VanDerWaalsContact CD2-CD2 3.47Å; L41-L65 HydrophobicContact CD2-CG 3.48Å; L41-L65 VanDerWaalsContact CD2-CG 3.48Å; L65-I77 HydrophobicContact CD1-CB 4.12Å; L65-I77 HydrophobicContact CD1-CD1 3.54Å; L65-I77 HydrophobicContact CD1-CG1 3.83Å; L65-I102 HydrophobicContact CD1-CD1 4.48Å; L65-L105 HydrophobicContact CD2-CD1 4.09Å | ||
| 66 | L | 31.8 | Very low | 32.1 | Very low | 118 Ų | 118 | 81.3 Ų | 81.3 | 62% | 0.618 | 48% | 0.479 | S | S | * | . | trans | -94.1 | 129.8 | 172.5 | -76.9 | 154 | 0 | 0 | 0 | 109.5 | S68 | L66-S68 PolarHBondContact O-N 3.46Š| ||
| 67 | P | 30.5 | Very low | 32.3 | Very low | 53 Ų | 53 | 75.6 Ų | 75.6 | 34% | 0.344 | 46% | 0.457 | S | S | . | . | trans | -70.2 | 128.6 | -179.9 | -11.5 | 26.4 | 0 | 0 | 0 | 110.5 | T69 S73 | P67-T69 PolarHBondContact O-N 3.14Å; P67-S73 WeakPolarHBondContact CG-O 3.2Å | ||
| 68 | S | 33.8 | Very low | 32.3 | Very low | 30 Ų | 30 | 78.8 Ų | 78.8 | 21% | 0.21 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -68 | 114.9 | 163.8 | 172.7 | 0 | 0 | 0 | 0 | 108.4 | N39 L66 | N39-S68 PolarHBondContact ND2-OG 2.87Å; L66-S68 PolarHBondContact O-N 3.46Å |
| 69 | T | 31.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 78 Ų | 78 | 71% | 0.712 | 47% | 0.467 | S | S | * | . | S | Bend | trans | 61 | 59.5 | 159 | 62.4 | 0 | 0 | 0 | 0 | 116.9 | P67 | P67-T69 PolarHBondContact O-N 3.14Š|
| 70 | T | 29.1 | Very low | 31.7 | Very low | 88 Ų | 88 | 79.3 Ų | 79.3 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | trans | -167.2 | 133.2 | 141.1 | 28.1 | 0 | 0 | 0 | 0 | 108 | S72 | T70-S72 PolarHBondContact O-N 3.22Š| ||
| 71 | P | 34.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 80 Ų | 80 | 94% | 0.942 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 20.8 | -171.6 | 29.9 | -35.6 | 0 | 0 | 0 | 115.3 | ||
| 72 | S | 28.1 | Very low | 31.4 | Very low | 99 Ų | 99 | 81.6 Ų | 81.6 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | 4.2 | -161.5 | 39.5 | 0 | 0 | 0 | 0 | 117.5 | T70 | T70-S72 PolarHBondContact O-N 3.22Š|
| 73 | S | 27.6 | Very low | 31.3 | Very low | 68 Ų | 68 | 81.1 Ų | 81.1 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | trans | -154.4 | 78.6 | 177.9 | 36.7 | 0 | 0 | 0 | 0 | 113.3 | P67 V75 | P67-S73 WeakPolarHBondContact CG-O 3.2Å; S73-V75 PolarHBondContact O-N 3.42Å | ||
| 74 | S | 31.3 | Very low | 31.4 | Very low | 88 Ų | 88 | 88.1 Ų | 88.1 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | trans | -62.8 | 104.4 | 160.7 | 42.6 | 0 | 0 | 0 | 0 | 109.2 | L76 | S74-L76 VanDerWaalsContact C-N 3.25Å; S74-L76 PolarHBondContact O-N 3.48Å | ||
| 75 | V | 29.8 | Very low | 31.8 | Very low | 94 Ų | 94 | 87.5 Ų | 87.5 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | trans | -77.6 | 88 | 164.9 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | S73 I77 | S73-V75 PolarHBondContact O-N 3.42Å; V75-I77 VanDerWaalsContact C-N 3.26Å; V75-I77 HydrophobicContact CG1-CD1 4.49Å; V75-I77 HydrophobicContact CG1-CG1 3.8Å; V75-I77 PolarHBondContact O-N 3.28Å | ||
| 76 | L | 30.6 | Very low | 32.1 | Very low | 134 Ų | 134 | 90.8 Ų | 90.8 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | trans | -68.5 | 89.5 | 166.3 | -107.9 | 147.6 | 0 | 0 | 0 | 107.6 | S74 N78 | S74-L76 VanDerWaalsContact C-N 3.25Å; S74-L76 PolarHBondContact O-N 3.48Å; L76-N78 PolarHBondContact O-N 2.9Å | ||
| 77 | I | 30 | Very low | 32.7 | Very low | 69 Ų | 69 | 87.6 Ų | 87.6 | 35% | 0.354 | 54% | 0.537 | S | S | . | . | trans | -73.6 | 90.1 | 161.6 | -52.1 | -171.4 | 0 | 0 | 0 | 105.7 | L65 V75 V79 I102 | L65-I77 HydrophobicContact CD1-CB 4.12Å; L65-I77 HydrophobicContact CD1-CD1 3.54Å; L65-I77 HydrophobicContact CD1-CG1 3.83Å; V75-I77 VanDerWaalsContact C-N 3.26Å; V75-I77 HydrophobicContact CG1-CD1 4.49Å; V75-I77 HydrophobicContact CG1-CG1 3.8Å; V75-I77 PolarHBondContact O-N 3.28Å; I77-V79 VanDerWaalsContact C-N 3.26Å; I77-V79 HydrophobicContact CG2-CG2 3.81Å; I77-V79 PolarHBondContact O-N 3.21Å; I77-I102 HydrophobicContact CD1-CD1 4.01Å | ||
| 78 | N | 30.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 87.7 Ų | 87.7 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | trans | -68 | 93.9 | 165.8 | -169.2 | 5 | 0 | 0 | 0 | 106.7 | L76 S80 | L76-N78 PolarHBondContact O-N 2.9Å; N78-S80 PolarHBondContact O-N 2.83Å; N78-S80 PolarHBondContact O-OG 3.03Å | ||
| 79 | V | 31.2 | Very low | 34.1 | Very low | 49 Ų | 49 | 93.6 Ų | 93.6 | 30% | 0.297 | 56% | 0.558 | S | S | . | * | trans | -73.2 | 72.8 | 167.2 | -170.9 | 0 | 0 | 0 | 0 | 106.5 | I77 S81 | I77-V79 VanDerWaalsContact C-N 3.26Å; I77-V79 HydrophobicContact CG2-CG2 3.81Å; I77-V79 PolarHBondContact O-N 3.21Å; V79-S81 PolarHBondContact O-N 3.44Å | ||
| 80 | S | 28.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 89.5 Ų | 89.5 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | trans | -74 | -5.2 | 175.7 | 42.9 | 0 | 0 | 0 | 0 | 112.1 | N78 V82 | N78-S80 PolarHBondContact O-N 2.83Å; N78-S80 PolarHBondContact O-OG 3.03Å; S80-V82 PolarHBondContact O-N 2.82Å | ||
| 81 | S | 29.9 | Very low | 36.1 | Very low | 85 Ų | 85 | 86.6 Ų | 86.6 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | trans | -79.5 | 70.1 | 166 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | V79 S83 | V79-S81 PolarHBondContact O-N 3.44Å; S81-S83 VanDerWaalsContact C-N 3.29Å; S81-S83 PolarHBondContact O-N 3.46Å; S81-S83 PolarHBondContact O-OG 3.31Å | ||
| 82 | V | 32.7 | Very low | 36.9 | Very low | 74 Ų | 74 | 81 Ų | 81 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | trans | -66.1 | 93.2 | 167.9 | -176.5 | 0 | 0 | 0 | 0 | 107 | L60 S80 | L60-V82 HydrophobicContact CD2-CG1 3.77Å; L60-V82 HydrophobicContact CD2-CG2 3.89Å; L60-V82 HydrophobicContact CG-CG1 3.99Å; S80-V82 PolarHBondContact O-N 2.82Å | ||
| 83 | S | 31.8 | Very low | 38.1 | Very low | 58 Ų | 58 | 82.9 Ų | 82.9 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | trans | -84.4 | 117.5 | 173.4 | -52.3 | 0 | 0 | 0 | 0 | 106.9 | S81 F85 | S81-S83 VanDerWaalsContact C-N 3.29Å; S81-S83 PolarHBondContact O-N 3.46Å; S81-S83 PolarHBondContact O-OG 3.31Å; S83-F85 WeakPolarHBondContact O-CD2 3Å; S83-F85 VanDerWaalsContact O-CE2 3.23Å; S83-F85 WeakPolarHBondContact O-CE2 3.46Å; S83-F85 PolarHBondContact O-N 3.21Å | ||
| 84 | F | 37.8 | Very low | 39.3 | Very low | 172 Ų | 172 | 82 Ų | 82 | 75% | 0.754 | 47% | 0.466 | S | S | * | . | trans | -61.5 | 107.7 | 170 | -77.6 | -93 | 0 | 0 | 0 | 108.2 | I58 S86 | I58-F84 HydrophobicContact CD1-CD1 4.38Å; F84-S86 PolarHBondContact O-N 3.37Å | ||
| 85 | F | 42.1 | Very low | 40.5 | Very low | 37 Ų | 37 | 78.3 Ų | 78.3 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | trans | -84.1 | 107.6 | 178.8 | -63.6 | -60.7 | 0 | 0 | 0 | 109.6 | I58 S83 S87 S90 F91 T94 | I58-F85 VanDerWaalsContact CD1-O 3.24Å; I58-F85 WeakPolarHBondContact CD1-O 3.44Å; S83-F85 WeakPolarHBondContact O-CD2 3Å; S83-F85 VanDerWaalsContact O-CE2 3.23Å; S83-F85 WeakPolarHBondContact O-CE2 3.46Å; S83-F85 PolarHBondContact O-N 3.21Å; F85-S87 PolarHBondContact O-N 3.31Å; F85-S90 WeakPolarHBondContact CA-OG 3.46Å; F85-S90 VanDerWaalsContact CB-OG 3.28Å; F85-S90 WeakPolarHBondContact CB-OG 3.42Å; F85-S90 WeakPolarHBondContact CD1-OG 2.94Å; F85-F91 HydrophobicContact CB-CB 4.13Å; F85-F91 HydrophobicContact CD2-CB 4.21Å; F85-F91 AromaticContact CD2-CD2 3.65Å; F85-F91 HydrophobicContact CD2-CD2 3.65Å; F85-F91 HydrophobicContact CD2-CG 4.44Å; F85-F91 AromaticContact CE2-CD2 3.95Å; F85-F91 HydrophobicContact CE2-CD2 3.95Å; F85-F91 HydrophobicContact CG-CB 4.04Å; F85-F91 HydrophobicContact CG-CD2 4.33Å; F85-T94 HydrophobicContact CE1-CG2 4.01Å; F85-T94 WeakPolarHBondContact CE1-OG1 3.42Å; F85-T94 HydrophobicContact CZ-CG2 3.62Å; F85-T94 WeakPolarHBondContact CZ-OG1 3.23Å | ||
| 86 | S | 40.9 | Very low | 41.6 | Very low | 113 Ų | 113 | 75.8 Ų | 75.8 | 79% | 0.79 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -69.1 | -16.3 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 113 | F84 | F84-S86 PolarHBondContact O-N 3.37Š|
| 87 | S | 45.2 | Very low | 42.7 | Very low | 51 Ų | 51 | 73.3 Ų | 73.3 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -148.2 | 152.6 | 179.4 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | F85 E89 S90 F91 | F85-S87 PolarHBondContact O-N 3.31Å; S87-E89 PolarHBondContact O-N 2.87Å; S87-S90 PolarHBondContact N-OG 2.03Å; S87-S90 PolarHBondContact O-N 2.81Å; S87-S90 PolarHBondContact O-OG 3.04Å; S87-S90 PolarHBondContact OG-N 3.14Å; S87-F91 PolarHBondContact O-N 3.4Å; S87-F91 VanDerWaalsContact O-N 3.15Å |
| 88 | L | 47.8 | Very low | 43.9 | Very low | 56 Ų | 56 | 72 Ų | 72 | 29% | 0.293 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -54.9 | -34.3 | 173.1 | -172.7 | 75 | 0 | 0 | 0 | 111.8 | Y7 F91 C92 K111 | Y7-L88 HydrophobicContact CD1-CD1 4.14Å; Y7-L88 HydrophobicContact CE1-CD1 3.68Å; L88-F91 WeakPolarHBondContact O-CB 3.07Å; L88-F91 PolarHBondContact O-N 3.47Å; L88-C92 WeakPolarHBondContact O-CB 3.27Å; L88-C92 PolarHBondContact O-N 3.01Å; L88-C92 PolarHBondContact O-SG 3.05Å; L88-K111 HydrophobicContact CD2-CB 4.28Å; L88-K111 HydrophobicContact CD2-CD 4.15Å; L88-K111 HydrophobicContact CD2-CG 3.9Å |
| 89 | E | 47.2 | Very low | 44.9 | Very low | 153 Ų | 153 | 67.2 Ų | 67.2 | 72% | 0.715 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 177.1 | -69.5 | 170.4 | 168.3 | 0 | 0 | 111.3 | S87 F91 C92 F93 | S87-E89 PolarHBondContact O-N 2.87Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 3.28Å; E89-C92 PolarHBondContact O-N 3.15Å; E89-F93 WeakPolarHBondContact O-CB 3.4Å; E89-F93 PolarHBondContact O-N 2.98Å |
| 90 | S | 48.4 | Very low | 45.8 | Very low | 30 Ų | 30 | 71.6 Ų | 71.6 | 21% | 0.21 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 175.3 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | F85 S87 T94 | F85-S90 WeakPolarHBondContact CA-OG 3.46Å; F85-S90 VanDerWaalsContact CB-OG 3.28Å; F85-S90 WeakPolarHBondContact CB-OG 3.42Å; F85-S90 WeakPolarHBondContact CD1-OG 2.94Å; S87-S90 PolarHBondContact N-OG 2.03Å; S87-S90 PolarHBondContact O-N 2.81Å; S87-S90 PolarHBondContact O-OG 3.04Å; S87-S90 PolarHBondContact OG-N 3.14Å; S90-T94 PolarHBondContact O-N 2.65Å; S90-T94 PolarHBondContact O-OG1 2.92Å |
| 91 | F | 54.2 | Low | 47 | Very low | 27 Ų | 27 | 73.5 Ų | 73.5 | 12% | 0.118 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.1 | -51.5 | 174.4 | 178.2 | -101.9 | 0 | 0 | 0 | 111.3 | I9 L61 F85 S87 L88 E89 F93 T94 L95 | I9-F91 HydrophobicContact CD1-CE1 4.02Å; I9-F91 HydrophobicContact CD1-CZ 4.01Å; L61-F91 HydrophobicContact CB-CE2 4.22Å; L61-F91 HydrophobicContact CD1-CE2 4.12Å; L61-F91 HydrophobicContact CD1-CZ 3.92Å; L61-F91 HydrophobicContact CD2-CE2 3.86Å; L61-F91 HydrophobicContact CD2-CZ 3.98Å; L61-F91 HydrophobicContact CG-CE2 4.29Å; L61-F91 HydrophobicContact CG-CZ 4.46Å; F85-F91 HydrophobicContact CB-CB 4.13Å; F85-F91 HydrophobicContact CD2-CB 4.21Å; F85-F91 AromaticContact CD2-CD2 3.65Å; F85-F91 HydrophobicContact CD2-CD2 3.65Å; F85-F91 HydrophobicContact CD2-CG 4.44Å; F85-F91 AromaticContact CE2-CD2 3.95Å; F85-F91 HydrophobicContact CE2-CD2 3.95Å; F85-F91 HydrophobicContact CG-CB 4.04Å; F85-F91 HydrophobicContact CG-CD2 4.33Å; S87-F91 PolarHBondContact O-N 3.4Å; S87-F91 VanDerWaalsContact O-N 3.15Å; L88-F91 WeakPolarHBondContact O-CB 3.07Å; L88-F91 PolarHBondContact O-N 3.47Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 3.28Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 3.5Å; F91-T94 PolarHBondContact O-N 3.49Å; F91-T94 VanDerWaalsContact O-N 3.14Å; F91-L95 HydrophobicContact CD1-CD1 3.62Å; F91-L95 HydrophobicContact CD2-CD1 4.13Å; F91-L95 HydrophobicContact CE1-CD1 3.19Å; F91-L95 HydrophobicContact CE2-CD1 3.76Å; F91-L95 HydrophobicContact CG-CD1 4.08Å; F91-L95 HydrophobicContact CZ-CD1 3.28Å; F91-L95 PolarHBondContact O-N 2.83Å |
| 92 | C | 50 | Low | 48.1 | Very low | 27 Ų | 27 | 71 Ų | 71 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | 176.5 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | L88 E89 T94 L95 A96 C109 | L88-C92 WeakPolarHBondContact O-CB 3.27Å; L88-C92 PolarHBondContact O-N 3.01Å; L88-C92 PolarHBondContact O-SG 3.05Å; E89-C92 PolarHBondContact O-N 3.15Å; C92-T94 VanDerWaalsContact C-N 3.33Å; C92-T94 PolarHBondContact O-N 2.95Å; C92-L95 PolarHBondContact O-N 3.01Å; C92-A96 WeakPolarHBondContact O-CB 3.01Å; C92-A96 PolarHBondContact O-N 3.22Å; C92-C109 WeakPolarHBondContact CA-SG 3.39Å; C92-C109 HydrophobicContact CB-CB 3.38Å; C92-C109 WeakPolarHBondContact CB-SG 3.32Å; C92-C109 WeakPolarHBondContact SG-CB 3.38Å; C92-C109 CovalentContact SG-SG 2.03Å; C92-C109 PolarHBondContact SG-SG 2.88Å |
| 93 | F | 53.1 | Low | 48.6 | Very low | 139 Ų | 139 | 73 Ų | 73 | 61% | 0.61 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 175.9 | -173.7 | -97.5 | 0 | 0 | 0 | 111.5 | E89 F91 A96 L97 | E89-F93 WeakPolarHBondContact O-CB 3.4Å; E89-F93 PolarHBondContact O-N 2.98Å; F91-F93 VanDerWaalsContact C-N 3.28Å; F91-F93 PolarHBondContact O-N 3.5Å; F93-A96 PolarHBondContact O-N 3.34Å; F93-L97 HydrophobicContact CD1-CD1 4.45Å; F93-L97 HydrophobicContact CE1-CD1 3.74Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 WeakPolarHBondContact O-CB 3.28Å; F93-L97 PolarHBondContact O-N 3.35Å |
| 94 | T | 53.6 | Low | 49.3 | Very low | 50 Ų | 50 | 73.1 Ų | 73.1 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.3 | -36.1 | -179.9 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | F85 S90 F91 C92 L97 L98 | F85-T94 HydrophobicContact CE1-CG2 4.01Å; F85-T94 WeakPolarHBondContact CE1-OG1 3.42Å; F85-T94 HydrophobicContact CZ-CG2 3.62Å; F85-T94 WeakPolarHBondContact CZ-OG1 3.23Å; S90-T94 PolarHBondContact O-N 2.65Å; S90-T94 PolarHBondContact O-OG1 2.92Å; F91-T94 PolarHBondContact O-N 3.49Å; F91-T94 VanDerWaalsContact O-N 3.14Å; C92-T94 VanDerWaalsContact C-N 3.33Å; C92-T94 PolarHBondContact O-N 2.95Å; T94-L97 PolarHBondContact O-N 2.82Å; T94-L98 WeakPolarHBondContact O-CB 3.44Å; T94-L98 PolarHBondContact O-N 3.36Å |
| 95 | L | 56.1 | Low | 49.6 | Very low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 168.6 | -94.9 | 121.6 | 0 | 0 | 0 | 111.9 | F11 F91 C92 L97 L98 S99 L107 | F11-L95 HydrophobicContact CE1-CD2 4.35Å; F91-L95 HydrophobicContact CD1-CD1 3.62Å; F91-L95 HydrophobicContact CD2-CD1 4.13Å; F91-L95 HydrophobicContact CE1-CD1 3.19Å; F91-L95 HydrophobicContact CE2-CD1 3.76Å; F91-L95 HydrophobicContact CG-CD1 4.08Å; F91-L95 HydrophobicContact CZ-CD1 3.28Å; F91-L95 PolarHBondContact O-N 2.83Å; C92-L95 PolarHBondContact O-N 3.01Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L95-L98 PolarHBondContact O-N 2.93Å; L95-S99 PolarHBondContact O-N 3.49Å; L95-L107 HydrophobicContact CB-CB 4.38Å; L95-L107 HydrophobicContact CD2-CB 4.04Å; L95-L107 HydrophobicContact CD2-CD1 4.07Å; L95-L107 HydrophobicContact CD2-CD2 3.94Å; L95-L107 HydrophobicContact CD2-CG 4.21Å; L95-L107 VanDerWaalsContact O-CD1 3.22Å; L95-L107 WeakPolarHBondContact O-CD1 3.14Å |
| 96 | A | 52.2 | Low | 49.4 | Very low | 40 Ų | 40 | 70.1 Ų | 70.1 | 33% | 0.331 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | C92 F93 L98 S99 L100 | C92-A96 WeakPolarHBondContact O-CB 3.01Å; C92-A96 PolarHBondContact O-N 3.22Å; F93-A96 PolarHBondContact O-N 3.34Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 2.98Å; A96-S99 PolarHBondContact O-N 2.92Å; A96-S99 PolarHBondContact O-OG 2.77Å; A96-L100 PolarHBondContact O-N 2.8Å; A96-L100 VanDerWaalsContact O-N 3.15Å |
| 97 | L | 54.5 | Low | 49.6 | Very low | 82 Ų | 82 | 65.6 Ų | 65.6 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175 | -142.6 | 97 | 0 | 0 | 0 | 111.6 | F93 T94 L95 S99 L100 L101 | F93-L97 HydrophobicContact CD1-CD1 4.45Å; F93-L97 HydrophobicContact CE1-CD1 3.74Å; F93-L97 HydrophobicContact CZ-CD1 3.97Å; F93-L97 WeakPolarHBondContact O-CB 3.28Å; F93-L97 PolarHBondContact O-N 3.35Å; T94-L97 PolarHBondContact O-N 2.82Å; L95-L97 VanDerWaalsContact C-N 3.33Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.2Å; L97-L100 WeakPolarHBondContact O-CB 3.22Å; L97-L100 PolarHBondContact O-N 3.36Å; L97-L101 WeakPolarHBondContact O-CD1 3.04Å; L97-L101 PolarHBondContact O-N 2.87Å; L97-L101 VanDerWaalsContact O-N 3.14Å |
| 98 | L | 55.3 | Low | 49.3 | Very low | 43 Ų | 43 | 67.8 Ų | 67.8 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 177.2 | -156.3 | 79.4 | 0 | 0 | 0 | 111.7 | L63 T94 L95 A96 L100 L101 I102 L107 | L63-L98 HydrophobicContact CD1-CD2 3.53Å; T94-L98 WeakPolarHBondContact O-CB 3.44Å; T94-L98 PolarHBondContact O-N 3.36Å; L95-L98 PolarHBondContact O-N 2.93Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 2.98Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3Å; L98-L101 PolarHBondContact O-N 3.06Å; L98-I102 HydrophobicContact CG-CD1 4.27Å; L98-I102 PolarHBondContact O-N 2.82Å; L98-I102 VanDerWaalsContact O-N 3.09Å; L98-L107 HydrophobicContact CB-CD1 4.14Å; L98-L107 HydrophobicContact CD2-CD1 4.3Å |
| 99 | S | 50.7 | Low | 49 | Very low | 23 Ų | 23 | 67.1 Ų | 67.1 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.5 | -30 | 174.7 | 77 | 0 | 0 | 0 | 0 | 112.9 | L95 A96 L97 L105 | L95-S99 PolarHBondContact O-N 3.49Å; A96-S99 PolarHBondContact O-N 2.92Å; A96-S99 PolarHBondContact O-OG 2.77Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.2Å; S99-L105 VanDerWaalsContact CB-O 3.32Å; S99-L105 WeakPolarHBondContact CB-O 2.83Å |
| 100 | L | 51.1 | Low | 48.3 | Very low | 141 Ų | 141 | 62.8 Ų | 62.8 | 74% | 0.738 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.7 | -34 | 173.6 | -76.6 | 156.5 | 0 | 0 | 0 | 112 | A96 L97 L98 | A96-L100 PolarHBondContact O-N 2.8Å; A96-L100 VanDerWaalsContact O-N 3.15Å; L97-L100 WeakPolarHBondContact O-CB 3.22Å; L97-L100 PolarHBondContact O-N 3.36Å; L98-L100 VanDerWaalsContact C-N 3.28Å; L98-L100 PolarHBondContact O-N 3Å |
| 101 | L | 52.3 | Low | 47.8 | Very low | 131 Ų | 131 | 69.2 Ų | 69.2 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75 | -25.9 | 176.9 | -95.7 | 97.3 | 0 | 0 | 0 | 113.5 | L97 L98 P103 | L97-L101 WeakPolarHBondContact O-CD1 3.04Å; L97-L101 PolarHBondContact O-N 2.87Å; L97-L101 VanDerWaalsContact O-N 3.14Å; L98-L101 PolarHBondContact O-N 3.06Å; L101-P103 WeakPolarHBondContact O-CD 3.47Å |
| 102 | I | 53.4 | Low | 46.7 | Very low | 34 Ų | 34 | 70.1 Ų | 70.1 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -117.1 | 89.9 | -178.3 | -47.3 | 171.2 | 0 | 0 | 0 | 108.8 | L65 I77 L98 P104 L105 | L65-I102 HydrophobicContact CD1-CD1 4.48Å; I77-I102 HydrophobicContact CD1-CD1 4.01Å; L98-I102 HydrophobicContact CG-CD1 4.27Å; L98-I102 PolarHBondContact O-N 2.82Å; L98-I102 VanDerWaalsContact O-N 3.09Å; I102-P104 HydrophobicContact CG2-CG 4.3Å; I102-P104 WeakPolarHBondContact O-CD 3.24Å; I102-P104 VanDerWaalsContact O-N 3.08Å; I102-L105 HydrophobicContact CB-CB 4.4Å; I102-L105 HydrophobicContact CB-CD1 3.95Å; I102-L105 HydrophobicContact CG2-CD1 3.37Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 2.97Å |
| 103 | P | 43.2 | Very low | 45.7 | Very low | 115 Ų | 115 | 78.1 Ų | 78.1 | 75% | 0.747 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -30.4 | -166.8 | 9.4 | -21.4 | 0 | 0 | 0 | 117.9 | L101 L105 | L101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-L105 VanDerWaalsContact C-N 3.33Å |
| 104 | P | 46.7 | Very low | 44.8 | Very low | 60 Ų | 60 | 76.1 Ų | 76.1 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.5 | 174.7 | 29.4 | -34.7 | 0 | 0 | 0 | 114.5 | I102 | I102-P104 HydrophobicContact CG2-CG 4.3Å; I102-P104 WeakPolarHBondContact O-CD 3.24Å; I102-P104 VanDerWaalsContact O-N 3.08Å |
| 105 | L | 43 | Very low | 43.4 | Very low | 11 Ų | 11 | 82.8 Ų | 82.8 | 6% | 0.058 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.5 | 179.2 | -88 | 96.4 | 0 | 0 | 0 | 110.9 | L41 L65 S99 I102 P103 L107 | L41-L105 HydrophobicContact CD1-CD2 3.29Å; L41-L105 HydrophobicContact CD1-CG 3.97Å; L65-L105 HydrophobicContact CD2-CD1 4.09Å; S99-L105 VanDerWaalsContact CB-O 3.32Å; S99-L105 WeakPolarHBondContact CB-O 2.83Å; I102-L105 HydrophobicContact CB-CB 4.4Å; I102-L105 HydrophobicContact CB-CD1 3.95Å; I102-L105 HydrophobicContact CG2-CD1 3.37Å; I102-L105 WeakPolarHBondContact O-CB 3.47Å; I102-L105 PolarHBondContact O-N 2.97Å; P103-L105 VanDerWaalsContact C-N 3.33Å; L105-L107 HydrophobicContact CD2-CD1 4.19Å; L105-L107 HydrophobicContact CD2-CD2 4.09Å; L105-L107 HydrophobicContact CD2-CG 4.21Å |
| 106 | K | 39.5 | Very low | 41.9 | Very low | 135 Ų | 135 | 86.6 Ų | 86.6 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 103.3 | 162.9 | -77 | -175.4 | 177.1 | 175.2 | 0 | 108.8 | F12 F14 | F12-K106 PolarHBondContact O-N 3.34Å; F14-K106 HydrophobicContact CD2-CB 4.31Å; F14-K106 HydrophobicContact CD2-CD 4.05Å; F14-K106 HydrophobicContact CD2-CG 4.39Å; F14-K106 HydrophobicContact CE2-CB 4.29Å; F14-K106 HydrophobicContact CE2-CD 3.79Å; F14-K106 HydrophobicContact CE2-CG 4.47Å |
| 107 | L | 44.2 | Very low | 40.8 | Very low | 19 Ų | 19 | 90.1 Ų | 90.1 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.5 | -179.8 | -65.1 | 160.8 | 0 | 0 | 0 | 108.6 | F11 L95 L98 L105 | F11-L107 HydrophobicContact CD1-CD2 3.44Å; F11-L107 VanDerWaalsContact CD1-CD2 3.44Å; F11-L107 HydrophobicContact CE1-CD2 3.87Å; L95-L107 HydrophobicContact CB-CB 4.38Å; L95-L107 HydrophobicContact CD2-CB 4.04Å; L95-L107 HydrophobicContact CD2-CD1 4.07Å; L95-L107 HydrophobicContact CD2-CD2 3.94Å; L95-L107 HydrophobicContact CD2-CG 4.21Å; L95-L107 VanDerWaalsContact O-CD1 3.22Å; L95-L107 WeakPolarHBondContact O-CD1 3.14Å; L98-L107 HydrophobicContact CB-CD1 4.14Å; L98-L107 HydrophobicContact CD2-CD1 4.3Å; L105-L107 HydrophobicContact CD2-CD1 4.19Å; L105-L107 HydrophobicContact CD2-CD2 4.09Å; L105-L107 HydrophobicContact CD2-CG 4.21Å |
| 108 | L | 39.1 | Very low | 39.5 | Very low | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 108.2 | 178.7 | -159.8 | 85.9 | 0 | 0 | 0 | 109.3 | F12 V110 | F12-L108 HydrophobicContact CD2-CB 4.07Å; F12-L108 HydrophobicContact CE2-CB 4.4Å; F12-L108 HydrophobicContact CE2-CD2 4.15Å; L108-V110 HydrophobicContact CD2-CG2 3.59Å; L108-V110 HydrophobicContact CG-CG2 4.07Å; L108-V110 PolarHBondContact O-N 3.49Å |
| 109 | C | 40.3 | Very low | 38.1 | Very low | 42 Ų | 42 | 94.4 Ų | 94.4 | 28% | 0.284 | 51% | 0.505 | S | S | . | . | trans | -87.1 | 105.6 | 175.7 | -158.7 | 0 | 0 | 0 | 0 | 109.4 | C92 | C92-C109 WeakPolarHBondContact CA-SG 3.39Å; C92-C109 HydrophobicContact CB-CB 3.38Å; C92-C109 WeakPolarHBondContact CB-SG 3.32Å; C92-C109 WeakPolarHBondContact SG-CB 3.38Å; C92-C109 CovalentContact SG-SG 2.03Å; C92-C109 PolarHBondContact SG-SG 2.88Å | ||
| 110 | V | 34.3 | Very low | 36.9 | Very low | 62 Ų | 62 | 98.5 Ų | 98.5 | 38% | 0.376 | 53% | 0.534 | S | S | . | . | trans | -102 | 119.7 | -179.3 | -174 | 0 | 0 | 0 | 0 | 109.7 | L108 T112 | L108-V110 HydrophobicContact CD2-CG2 3.59Å; L108-V110 HydrophobicContact CG-CG2 4.07Å; L108-V110 PolarHBondContact O-N 3.49Å; V110-T112 PolarHBondContact O-N 2.87Å | ||
| 111 | K | 36.3 | Very low | 36 | Very low | 166 Ų | 166 | 103.2 Ų | 103.2 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | trans | -77.4 | 100.6 | 172.3 | -175.7 | 177.5 | -177.3 | 175.1 | 0 | 109.3 | L88 | L88-K111 HydrophobicContact CD2-CB 4.28Å; L88-K111 HydrophobicContact CD2-CD 4.15Å; L88-K111 HydrophobicContact CD2-CG 3.9Å | ||
| 112 | T | 32.2 | Very low | 35.1 | Very low | 45 Ų | 45 | 101.8 Ų | 101.8 | 28% | 0.276 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 130.8 | 170.7 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | N8 V110 | N8-T112 HydrophobicContact CB-CG2 4.48Å; V110-T112 PolarHBondContact O-N 2.87Å |
| 113 | K | 27.8 | Very low | 34.2 | Very low | 196 Ų | 196 | 105.4 Ų | 105.4 | 85% | 0.852 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 134.4 | 171.7 | -84.1 | -178.7 | 175.2 | 177.9 | 0 | 109.4 | ||
| 114 | F | 34 | Very low | 33.7 | Very low | 96 Ų | 96 | 104.8 Ų | 104.8 | 42% | 0.421 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 139.1 | 179.3 | -64.5 | -79.7 | 0 | 0 | 0 | 111.6 | L5 I6 Y7 | L5-F114 VanDerWaalsContact CA-CE1 3.48Å; L5-F114 HydrophobicContact CB-CE1 4.12Å; L5-F114 HydrophobicContact CB-CZ 4.36Å; L5-F114 HydrophobicContact CD1-CD1 3.91Å; L5-F114 HydrophobicContact CD1-CD2 3.82Å; L5-F114 HydrophobicContact CD1-CE1 3.42Å; L5-F114 VanDerWaalsContact CD1-CE1 3.42Å; L5-F114 HydrophobicContact CD1-CE2 3.3Å; L5-F114 HydrophobicContact CD1-CG 4.12Å; L5-F114 HydrophobicContact CD1-CZ 3.1Å; L5-F114 HydrophobicContact CG-CD1 4.49Å; L5-F114 HydrophobicContact CG-CE1 3.62Å; L5-F114 HydrophobicContact CG-CE2 4.07Å; L5-F114 HydrophobicContact CG-CZ 3.37Å; I6-F114 VanDerWaalsContact O-CE1 3.27Å; I6-F114 WeakPolarHBondContact O-CE1 3.38Å; Y7-F114 HydrophobicContact CD1-CZ 4.43Å; Y7-F114 HydrophobicContact CE1-CZ 4.21Å |
| 115 | F | 26 | Very low | 32.9 | Very low | 190 Ų | 190 | 107.5 Ų | 107.5 | 83% | 0.833 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 137.4 | 161.9 | -72.4 | -89 | 0 | 0 | 0 | 108.4 | L117 | F115-L117 PolarHBondContact O-N 2.85Š|
| 116 | P | 23.6 | Very low | 32.3 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 133.8 | 170.7 | 26 | -31.3 | 0 | 0 | 0 | 108.6 | Y3 S118 | Y3-P116 HydrophobicContact CE1-CB 4.35Å; P116-S118 VanDerWaalsContact C-N 3.3Å; P116-S118 PolarHBondContact O-N 2.75Å |
| 117 | L | 29.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 112.1 Ų | 112.1 | 60% | 0.602 | 60% | 0.603 | S | S | * | * | trans | -59.6 | 103.8 | 161.5 | -94.3 | 123.2 | 0 | 0 | 0 | 105.7 | V4 F115 S119 | V4-L117 HydrophobicContact CB-CD1 3.79Å; V4-L117 HydrophobicContact CG2-CD1 3.7Å; F115-L117 PolarHBondContact O-N 2.85Å; L117-S119 PolarHBondContact O-N 3.3Å | ||
| 118 | S | 26.2 | Very low | 30.9 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 69% | 0.692 | 64% | 0.639 | S | S | * | * | trans | -52.9 | 120.9 | 165.6 | 58 | 0 | 0 | 0 | 0 | 105.9 | P116 S120 | P116-S118 VanDerWaalsContact C-N 3.3Å; P116-S118 PolarHBondContact O-N 2.75Å; S118-S120 PolarHBondContact O-N 3.06Å | ||
| 119 | S | 26 | Very low | 30.3 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | trans | -51.3 | 93 | 165.2 | 47.3 | 0 | 0 | 0 | 0 | 108.3 | L117 I121 | L117-S119 PolarHBondContact O-N 3.3Å; S119-I121 PolarHBondContact O-N 3.32Å | ||
| 120 | S | 26.4 | Very low | 29.5 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | -69.4 | 107.6 | 159.2 | 45.7 | 0 | 0 | 0 | 0 | 105.8 | S118 | S118-S120 PolarHBondContact O-N 3.06Š| ||
| 121 | I | 31.4 | Very low | 29 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 100% | 1.226 | 71% | 0.708 | S | S | * | * | trans | -18.7 | 0 | 164.3 | -64 | 155.7 | 0 | 0 | 0 | 113.7 | S119 | S119-I121 PolarHBondContact O-N 3.32Š|
Retrieved 121 of 121 residues in 199 ms
(Link to these results)