| 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 | 44.3 | Very low | 59.4 | Low | 237 Ų | 237 | 63.1 Ų | 63.1 | 100% | 1.167 | 33% | 0.329 | S | S | * | . | 0 | 114.7 | 0 | -82.4 | 170.3 | 150.8 | 0 | 0 | 108 | I3 | M1-I3 PolarHBondContact O-N 3.02Š| |||
| 2 | S | 52.6 | Low | 59.5 | Low | 110 Ų | 110 | 61.6 Ų | 61.6 | 77% | 0.769 | 32% | 0.318 | S | S | * | . | trans | -63.3 | 119 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | G4 | S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.28Å | ||
| 3 | I | 56.6 | Low | 59.3 | Low | 99 Ų | 99 | 71.7 Ų | 71.7 | 51% | 0.508 | 35% | 0.35 | S | S | . | . | trans | -72.1 | 88.1 | 177.2 | -60.7 | 164.8 | 0 | 0 | 0 | 106.4 | M1 F49 | M1-I3 PolarHBondContact O-N 3.02Å; I3-F49 HydrophobicContact CG2-CB 4.45Å | ||
| 4 | G | 63.1 | Low | 58.9 | Low | 7 Ų | 7 | 71.1 Ų | 71.1 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | trans | -74.3 | 140.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S2 Y6 F49 | S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.28Å; G4-Y6 WeakPolarHBondContact O-CD2 3.46Å; G4-F49 WeakPolarHBondContact O-CD2 3.33Å | ||
| 5 | T | 61.3 | Low | 58.6 | Low | 26 Ų | 26 | 74.9 Ų | 74.9 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.8 | 161.1 | -56.7 | 0 | 0 | 0 | 0 | 107.6 | K27 L46 H48 | T5-K27 HydrophobicContact CG2-CB 4.39Å; T5-K27 HydrophobicContact CG2-CD 4.08Å; T5-K27 WeakPolarHBondContact O-CB 3.24Å; T5-K27 PolarHBondContact O-N 3.03Å; T5-K27 VanDerWaalsContact O-N 3.14Å; T5-L46 HydrophobicContact CG2-CD1 3.36Å; T5-L46 HydrophobicContact CG2-CD2 4.47Å; T5-L46 HydrophobicContact CG2-CG 3.92Å; T5-H48 WeakPolarHBondContact CG2-CE1 3.23Å; T5-H48 PolarHBondContact OG1-CE1 3.22Å; T5-H48 VanDerWaalsContact OG1-CE1 3.28Å; T5-H48 PolarHBondContact OG1-ND1 3.41Å; T5-H48 VanDerWaalsContact OG1-ND1 3.16Å |
| 6 | Y | 62.1 | Low | 58.4 | Low | 73 Ų | 73 | 79.1 Ų | 79.1 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.9 | -179.7 | -64.5 | -104.4 | 0 | 0 | 0 | 109 | G4 V24 Y25 M47 F49 | G4-Y6 WeakPolarHBondContact O-CD2 3.46Å; Y6-V24 HydrophobicContact CD1-CG1 4.14Å; Y6-Y25 CarbonylContact C-O 3.49Å; Y6-Y25 WeakPolarHBondContact CA-O 3.2Å; Y6-M47 PolarHBondContact N-O 3.03Å; Y6-M47 PolarHBondContact O-N 2.77Å; Y6-F49 AromaticContact CD2-CD2 3.85Å; Y6-F49 HydrophobicContact CD2-CD2 3.85Å; Y6-F49 AromaticContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CZ 4.42Å; Y6-F49 AromaticContact CE2-CD2 3.74Å; Y6-F49 HydrophobicContact CE2-CD2 3.74Å; Y6-F49 AromaticContact CE2-CE2 3.08Å; Y6-F49 HydrophobicContact CE2-CE2 3.08Å; Y6-F49 AromaticContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CG-CE2 4.35Å; Y6-F49 AromaticContact CZ-CE2 3.96Å |
| 7 | I | 64.5 | Low | 58 | Low | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.1 | 173.9 | -61.1 | 175.6 | 0 | 0 | 0 | 105.9 | I9 Y25 L30 V44 V45 L46 | I7-I9 HydrophobicContact CG2-CG1 4.18Å; I7-Y25 CarbonylContact C-O 3.48Å; I7-Y25 PolarHBondContact N-O 2.8Å; I7-Y25 CarbonylContact O-C 3.52Å; I7-Y25 WeakPolarHBondContact O-CA 3.37Å; I7-Y25 PolarHBondContact O-N 3Å; I7-L30 HydrophobicContact CD1-CB 4.43Å; I7-L30 HydrophobicContact CD1-CD1 3.45Å; I7-L30 VanDerWaalsContact CD1-CD1 3.45Å; I7-L30 HydrophobicContact CD1-CG 3.99Å; I7-V44 HydrophobicContact CG2-CG1 3.54Å; I7-V45 WeakPolarHBondContact CA-O 3.17Å; I7-L46 HydrophobicContact CD1-CD1 4.38Å; I7-L46 HydrophobicContact CG1-CD1 3.61Å |
| 8 | I | 65.9 | Low | 57.4 | Low | 16 Ų | 16 | 87 Ų | 87 | 8% | 0.082 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.2 | 173.6 | -53.7 | -174.9 | 0 | 0 | 0 | 107.1 | W10 P21 V24 V45 M47 | I8-W10 HydrophobicContact CG2-CD2 4.38Å; I8-W10 HydrophobicContact CG2-CG 4.45Å; I8-W10 HydrophobicContact CG2-CZ2 4.27Å; I8-P21 HydrophobicContact CG2-CB 4.5Å; I8-V24 HydrophobicContact CD1-CG2 4.17Å; I8-V24 HydrophobicContact CG1-CB 4.47Å; I8-V24 HydrophobicContact CG1-CG1 4.11Å; I8-V24 HydrophobicContact CG1-CG2 4.03Å; I8-V24 HydrophobicContact CG2-CG2 4.17Å; I8-V45 PolarHBondContact N-O 2.89Å; I8-V45 PolarHBondContact O-N 3.14Å; I8-M47 HydrophobicContact CD1-CE 3.87Å; I8-M47 HydrophobicContact CD1-CG 3.8Å; I8-M47 HydrophobicContact CD1-SD 4.4Å; I8-M47 HydrophobicContact CG1-CG 4.18Å |
| 9 | I | 63.9 | Low | 56.8 | Low | 15 Ų | 15 | 89.8 Ų | 89.8 | 8% | 0.077 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.3 | 174.8 | -56.7 | 178.6 | 0 | 0 | 0 | 106.9 | I7 L23 Y25 M42 V44 | I7-I9 HydrophobicContact CG2-CG1 4.18Å; I9-L23 PolarHBondContact N-O 3.01Å; I9-Y25 HydrophobicContact CD1-CD2 3.89Å; I9-Y25 HydrophobicContact CD1-CE2 4.13Å; I9-Y25 HydrophobicContact CG1-CD2 4.25Å; I9-M42 HydrophobicContact CG2-CE 3.25Å; I9-M42 HydrophobicContact CG2-CG 4.11Å; I9-M42 HydrophobicContact CG2-SD 3.59Å; I9-M42 VanDerWaalsContact CG2-SD 3.59Å; I9-V44 HydrophobicContact CG1-CG1 4.48Å; I9-V44 HydrophobicContact CG1-CG2 4.4Å |
| 10 | W | 60.1 | Low | 56.4 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 22% | 0.223 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.9 | 175.6 | -52.9 | 72 | 0 | 0 | 0 | 107.3 | I8 F12 M19 P21 M42 A43 | I8-W10 HydrophobicContact CG2-CD2 4.38Å; I8-W10 HydrophobicContact CG2-CG 4.45Å; I8-W10 HydrophobicContact CG2-CZ2 4.27Å; W10-F12 HydrophobicContact CB-CD1 4.35Å; W10-M19 HydrophobicContact CE3-CB 3.75Å; W10-M19 HydrophobicContact CE3-CG 4.43Å; W10-M19 HydrophobicContact CE3-SD 4.42Å; W10-M19 HydrophobicContact CH2-CB 4.38Å; W10-M19 HydrophobicContact CH2-SD 4.45Å; W10-M19 HydrophobicContact CZ3-CB 3.39Å; W10-M19 HydrophobicContact CZ3-CG 4.28Å; W10-M19 HydrophobicContact CZ3-SD 4.13Å; W10-P21 HydrophobicContact CE3-CB 4.32Å; W10-P21 HydrophobicContact CH2-CB 4.3Å; W10-P21 HydrophobicContact CZ3-CB 4.01Å; W10-M42 CarbonylContact O-C 3.53Å; W10-M42 VanDerWaalsContact O-CA 3.24Å; W10-M42 WeakPolarHBondContact O-CA 3.47Å; W10-A43 HydrophobicContact CB-CB 4.31Å; W10-A43 PolarHBondContact N-O 3.09Å; W10-A43 PolarHBondContact O-N 2.97Å |
| 11 | D | 59.3 | Low | 56.1 | Low | 46 Ų | 46 | 90.3 Ų | 90.3 | 25% | 0.246 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.3 | 171.9 | -176.7 | -20.5 | 0 | 0 | 0 | 107.4 | Y33 H40 M42 | D11-Y33 PolarHBondContact OD2-OH 2.81Å; D11-H40 WeakPolarHBondContact OD1-CB 3.29Å; D11-H40 IonicContact OD1-CD2 3.99Å; D11-H40 PolarHBondContact OD1-CD2 2.68Å; D11-H40 IonicContact OD1-CG 3.89Å; D11-H40 IonicContact OD1-ND1 3.17Å; D11-H40 IonicContact OD2-CG 3.98Å; D11-M42 HydrophobicContact CB-CE 4.15Å |
| 12 | F | 59.8 | Low | 56.3 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 20% | 0.197 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.5 | -179.6 | 48.5 | -86.5 | 0 | 0 | 0 | 111.6 | W10 N14 K15 H40 S41 A43 | W10-F12 HydrophobicContact CB-CD1 4.35Å; F12-N14 VanDerWaalsContact C-N 3.26Å; F12-N14 PolarHBondContact O-N 2.89Å; F12-K15 HydrophobicContact CD2-CB 4.49Å; F12-K15 HydrophobicContact CD2-CG 3.96Å; F12-K15 HydrophobicContact CE2-CB 4.23Å; F12-K15 HydrophobicContact CE2-CD 4.41Å; F12-K15 HydrophobicContact CE2-CG 3.34Å; F12-K15 HydrophobicContact CZ-CG 4.32Å; F12-H40 WeakPolarHBondContact O-CA 3.28Å; F12-S41 VanDerWaalsContact CD1-O 3.28Å; F12-S41 WeakPolarHBondContact CD1-O 3.3Å; F12-S41 VanDerWaalsContact CD2-CB 3.42Å; F12-S41 WeakPolarHBondContact CE1-O 3.49Å; F12-S41 WeakPolarHBondContact CG-O 3.35Å; F12-S41 VanDerWaalsContact CZ-CB 3.49Å; F12-S41 PolarHBondContact N-O 3.16Å; F12-S41 PolarHBondContact O-N 3.28Å; F12-S41 VanDerWaalsContact O-O 3.11Å; F12-A43 HydrophobicContact CE1-CB 3.98Å |
| 13 | R | 57.1 | Low | 56.2 | Low | 193 Ų | 193 | 80 Ų | 80 | 73% | 0.728 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -68.3 | -27.8 | 171.8 | -75.8 | 174.9 | -174.3 | -140.2 | 0.6 | 112.7 | H40 | R13-H40 WeakPolarHBondContact CG-CD2 3.48Å; R13-H40 WeakPolarHBondContact CG-NE2 3.14Å; R13-H40 PolarHBondContact NE-NE2 2.88Å |
| 14 | N | 54.2 | Low | 55.8 | Low | 64 Ų | 64 | 79.4 Ų | 79.4 | 34% | 0.342 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -146.6 | 126.9 | -176.4 | -177.9 | -11 | 0 | 0 | 0 | 108.4 | F12 N16 E17 | F12-N14 VanDerWaalsContact C-N 3.26Å; F12-N14 PolarHBondContact O-N 2.89Å; N14-N16 PolarHBondContact O-N 3.47Å; N14-N16 WeakPolarHBondContact OD1-CB 3.34Å; N14-N16 PolarHBondContact OD1-N 3.05Å; N14-N16 PolarHBondContact OD1-ND2 3.32Å; N14-E17 HydrophobicContact CB-CB 4.21Å; N14-E17 HydrophobicContact CB-CG 3.86Å; N14-E17 PolarHBondContact O-N 2.96Å |
| 15 | K | 54.3 | Low | 55 | Low | 127 Ų | 127 | 81.5 Ų | 81.5 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -21.1 | 176.5 | -76.2 | 173.3 | -172.2 | 178.7 | 0 | 113.6 | F12 S41 D60 | F12-K15 HydrophobicContact CD2-CB 4.49Å; F12-K15 HydrophobicContact CD2-CG 3.96Å; F12-K15 HydrophobicContact CE2-CB 4.23Å; F12-K15 HydrophobicContact CE2-CD 4.41Å; F12-K15 HydrophobicContact CE2-CG 3.34Å; F12-K15 HydrophobicContact CZ-CG 4.32Å; K15-S41 WeakPolarHBondContact CE-OG 3.43Å; K15-D60 WeakPolarHBondContact CE-OD2 3.48Å; K15-D60 IonicContact NZ-OD2 2.68Å; K15-D60 PolarHBondContact NZ-OD2 2.89Å |
| 16 | N | 54.8 | Low | 54.3 | Low | 143 Ų | 143 | 86.1 Ų | 86.1 | 77% | 0.765 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -9.8 | -178.3 | -54.2 | -68.8 | 0 | 0 | 0 | 114 | N14 | N14-N16 PolarHBondContact O-N 3.47Å; N14-N16 WeakPolarHBondContact OD1-CB 3.34Å; N14-N16 PolarHBondContact OD1-N 3.05Å; N14-N16 PolarHBondContact OD1-ND2 3.32Å |
| 17 | E | 51.3 | Low | 53.6 | Low | 117 Ų | 117 | 88.5 Ų | 88.5 | 55% | 0.547 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -78.9 | 141.4 | 176.9 | -77.6 | 178.3 | -174.7 | 0 | 0 | 110.2 | N14 M19 | N14-E17 HydrophobicContact CB-CB 4.21Å; N14-E17 HydrophobicContact CB-CG 3.86Å; N14-E17 PolarHBondContact O-N 2.96Å; E17-M19 PolarHBondContact O-N 3.27Å |
| 18 | H | 48.2 | Very low | 52.7 | Low | 183 Ų | 183 | 94 Ų | 94 | 85% | 0.847 | 46% | 0.461 | S | S | * | . | trans | -50.1 | 128.1 | -175.8 | -165.5 | 97.5 | 0 | 0 | 0 | 110.4 | D20 | H18-D20 PolarHBondContact O-N 2.76Š| ||
| 19 | M | 46.1 | Very low | 51.6 | Low | 140 Ų | 140 | 100.7 Ų | 100.7 | 69% | 0.69 | 49% | 0.486 | S | S | * | . | trans | -66.1 | 94.6 | -174.3 | -59.6 | -176.1 | 157.9 | 0 | 0 | 110.7 | W10 E17 | W10-M19 HydrophobicContact CE3-CB 3.75Å; W10-M19 HydrophobicContact CE3-CG 4.43Å; W10-M19 HydrophobicContact CE3-SD 4.42Å; W10-M19 HydrophobicContact CH2-CB 4.38Å; W10-M19 HydrophobicContact CH2-SD 4.45Å; W10-M19 HydrophobicContact CZ3-CB 3.39Å; W10-M19 HydrophobicContact CZ3-CG 4.28Å; W10-M19 HydrophobicContact CZ3-SD 4.13Å; E17-M19 PolarHBondContact O-N 3.27Å | ||
| 20 | D | 48.7 | Very low | 50.8 | Low | 127 Ų | 127 | 106 Ų | 106 | 68% | 0.679 | 51% | 0.514 | S | S | * | . | trans | -86.2 | 117 | 167.1 | -159.1 | -87.8 | 0 | 0 | 0 | 107.8 | H18 G22 | H18-D20 PolarHBondContact O-N 2.76Å; D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.75Å | ||
| 21 | P | 49.1 | Very low | 50.1 | Low | 63 Ų | 63 | 107.2 Ų | 107.2 | 41% | 0.409 | 52% | 0.524 | S | S | . | . | trans | -70 | 90.5 | -178.4 | 28.4 | -33.1 | 0 | 0 | 0 | 109 | I8 W10 L23 | I8-P21 HydrophobicContact CG2-CB 4.5Å; W10-P21 HydrophobicContact CE3-CB 4.32Å; W10-P21 HydrophobicContact CH2-CB 4.3Å; W10-P21 HydrophobicContact CZ3-CB 4.01Å; P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 2.79Å | ||
| 22 | G | 49.6 | Very low | 49.5 | Very low | 45 Ų | 45 | 111.1 Ų | 111.1 | 46% | 0.464 | 54% | 0.544 | S | S | . | . | trans | -52 | -46.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D20 | D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.75Å | ||
| 23 | L | 49.5 | Very low | 49 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 45% | 0.45 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -151.9 | 125.9 | -176.4 | -67.9 | 161.9 | 0 | 0 | 0 | 112.7 | I9 P21 Y25 | I9-L23 PolarHBondContact N-O 3.01Å; P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 2.79Å; L23-Y25 HydrophobicContact CB-CD2 4.2Å; L23-Y25 HydrophobicContact CB-CE2 3.52Å; L23-Y25 HydrophobicContact CD1-CE2 4.12Å; L23-Y25 WeakPolarHBondContact CD1-OH 3.2Å; L23-Y25 HydrophobicContact CG-CE2 4.31Å |
| 24 | V | 48.3 | Very low | 48.4 | Very low | 86 Ų | 86 | 110 Ų | 110 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115.1 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | Y6 I8 | Y6-V24 HydrophobicContact CD1-CG1 4.14Å; I8-V24 HydrophobicContact CD1-CG2 4.17Å; I8-V24 HydrophobicContact CG1-CB 4.47Å; I8-V24 HydrophobicContact CG1-CG1 4.11Å; I8-V24 HydrophobicContact CG1-CG2 4.03Å; I8-V24 HydrophobicContact CG2-CG2 4.17Å |
| 25 | Y | 48.1 | Very low | 48.1 | Very low | 52 Ų | 52 | 108.6 Ų | 108.6 | 20% | 0.204 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 147.6 | 173.7 | -68 | -78.8 | 0 | 0 | 0 | 111.6 | Y6 I7 I9 L23 I31 | Y6-Y25 CarbonylContact C-O 3.49Å; Y6-Y25 WeakPolarHBondContact CA-O 3.2Å; I7-Y25 CarbonylContact C-O 3.48Å; I7-Y25 PolarHBondContact N-O 2.8Å; I7-Y25 CarbonylContact O-C 3.52Å; I7-Y25 WeakPolarHBondContact O-CA 3.37Å; I7-Y25 PolarHBondContact O-N 3Å; I9-Y25 HydrophobicContact CD1-CD2 3.89Å; I9-Y25 HydrophobicContact CD1-CE2 4.13Å; I9-Y25 HydrophobicContact CG1-CD2 4.25Å; L23-Y25 HydrophobicContact CB-CD2 4.2Å; L23-Y25 HydrophobicContact CB-CE2 3.52Å; L23-Y25 HydrophobicContact CD1-CE2 4.12Å; L23-Y25 WeakPolarHBondContact CD1-OH 3.2Å; L23-Y25 HydrophobicContact CG-CE2 4.31Å; Y25-I31 HydrophobicContact CD1-CD1 4.21Å; Y25-I31 HydrophobicContact CD1-CG1 4.44Å; Y25-I31 HydrophobicContact CE1-CD1 3.39Å; Y25-I31 HydrophobicContact CE1-CG1 4.05Å |
| 26 | R | 45 | Very low | 47.7 | Very low | 122 Ų | 122 | 111 Ų | 111 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 144.2 | 166.1 | -170.2 | 174.9 | 178 | 172.7 | -0.5 | 108 | D28 Y29 | R26-D28 IonicContact NE-OD2 3.41Å; R26-D28 PolarHBondContact O-N 2.81Å; R26-Y29 HydrophobicContact CB-CD2 4.47Å; R26-Y29 PolarHBondContact O-N 2.79Å |
| 27 | K | 47.2 | Very low | 47.3 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -42.7 | -30.7 | -175.1 | -177.1 | 176.9 | 175.8 | 176.8 | 0 | 115.4 | T5 Y29 | T5-K27 HydrophobicContact CG2-CB 4.39Å; T5-K27 HydrophobicContact CG2-CD 4.08Å; T5-K27 WeakPolarHBondContact O-CB 3.24Å; T5-K27 PolarHBondContact O-N 3.03Å; T5-K27 VanDerWaalsContact O-N 3.14Å; K27-Y29 PolarHBondContact O-N 2.84Å |
| 28 | D | 46.1 | Very low | 47.2 | Very low | 122 Ų | 122 | 106.8 Ų | 106.8 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -74.1 | -9.1 | -179.6 | -48.8 | -51.1 | 0 | 0 | 0 | 114.2 | R26 | R26-D28 IonicContact NE-OD2 3.41Å; R26-D28 PolarHBondContact O-N 2.81Å |
| 29 | Y | 42.6 | Very low | 47.6 | Very low | 156 Ų | 156 | 106.5 Ų | 106.5 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -123.3 | 50.1 | -178.4 | -61.7 | -84.9 | 0 | 0 | 0 | 111.4 | R26 K27 I31 | R26-Y29 HydrophobicContact CB-CD2 4.47Å; R26-Y29 PolarHBondContact O-N 2.79Å; K27-Y29 PolarHBondContact O-N 2.84Å; Y29-I31 PolarHBondContact O-N 2.82Å |
| 30 | L | 47.3 | Very low | 48.1 | Very low | 126 Ų | 126 | 101.2 Ų | 101.2 | 66% | 0.66 | 50% | 0.504 | S | S | * | . | trans | -68.3 | 84 | 170.6 | -151.8 | 150.4 | 0 | 0 | 0 | 108 | I7 N32 | I7-L30 HydrophobicContact CD1-CB 4.43Å; I7-L30 HydrophobicContact CD1-CD1 3.45Å; I7-L30 VanDerWaalsContact CD1-CD1 3.45Å; I7-L30 HydrophobicContact CD1-CG 3.99Å; L30-N32 PolarHBondContact O-N 2.84Å | ||
| 31 | I | 46.1 | Very low | 48.6 | Very low | 85 Ų | 85 | 95.7 Ų | 95.7 | 44% | 0.436 | 48% | 0.475 | S | S | . | . | trans | -67.6 | 125.5 | 174.1 | -59.6 | -175.6 | 0 | 0 | 0 | 106.1 | Y25 Y29 Y33 | Y25-I31 HydrophobicContact CD1-CD1 4.21Å; Y25-I31 HydrophobicContact CD1-CG1 4.44Å; Y25-I31 HydrophobicContact CE1-CD1 3.39Å; Y25-I31 HydrophobicContact CE1-CG1 4.05Å; Y29-I31 PolarHBondContact O-N 2.82Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.21Å | ||
| 32 | N | 46.1 | Very low | 49.1 | Very low | 127 Ų | 127 | 93.9 Ų | 93.9 | 68% | 0.679 | 46% | 0.462 | S | S | * | . | trans | -59 | 94.6 | 166.2 | -171.7 | 21.4 | 0 | 0 | 0 | 107.3 | L30 E34 | L30-N32 PolarHBondContact O-N 2.84Å; N32-E34 PolarHBondContact O-N 2.87Å; N32-E34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | Y | 48.6 | Very low | 49.7 | Very low | 89 Ų | 89 | 92.2 Ų | 92.2 | 35% | 0.349 | 44% | 0.443 | S | S | . | . | trans | -78.6 | 95.7 | 178.1 | -174.8 | -90.4 | 0 | 0 | 0 | 107.9 | D11 I31 S35 M42 | D11-Y33 PolarHBondContact OD2-OH 2.81Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.21Å; Y33-S35 PolarHBondContact O-N 2.8Å; Y33-M42 HydrophobicContact CD1-CE 3.02Å; Y33-M42 HydrophobicContact CD1-SD 3.64Å; Y33-M42 HydrophobicContact CD2-CE 4.33Å; Y33-M42 HydrophobicContact CE1-CE 3.1Å; Y33-M42 HydrophobicContact CE1-SD 4.22Å; Y33-M42 HydrophobicContact CE2-CE 4.41Å; Y33-M42 HydrophobicContact CG-CE 3.68Å; Y33-M42 HydrophobicContact CG-SD 4.26Å | ||
| 34 | E | 45.4 | Very low | 50.4 | Low | 127 Ų | 127 | 89.1 Ų | 89.1 | 59% | 0.593 | 43% | 0.428 | S | S | * | . | trans | -81.4 | 109 | 166.3 | -71.3 | -174 | 161.1 | 0 | 0 | 108.6 | N32 K36 | N32-E34 PolarHBondContact O-N 2.87Å; N32-E34 VanDerWaalsContact O-N 3.12Å; E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 2.87Å | ||
| 35 | S | 47.2 | Very low | 51 | Low | 33 Ų | 33 | 85.9 Ų | 85.9 | 23% | 0.231 | 41% | 0.408 | C | S | . | . | trans | -62.8 | 94.9 | 167.8 | 163.6 | 0 | 0 | 0 | 0 | 109 | Y33 N37 C38 | Y33-S35 PolarHBondContact O-N 2.8Å; S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 PolarHBondContact O-N 3.3Å; S35-C38 PolarHBondContact O-SG 2.82Å; S35-C38 VanDerWaalsContact O-SG 3.41Å | ||
| 36 | K | 46.3 | Very low | 51.7 | Low | 178 Ų | 178 | 84.8 Ų | 84.8 | 77% | 0.774 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.7 | -14.3 | -177.8 | -70.2 | -169.5 | 177.3 | -176.3 | 0 | 114.3 | E34 | E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 2.87Å |
| 37 | N | 47.2 | Very low | 52.5 | Low | 136 Ų | 136 | 82.7 Ų | 82.7 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -140.2 | 87 | -178.4 | -82 | -30.9 | 0 | 0 | 0 | 110.2 | S35 K39 H40 | S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 PolarHBondContact O-N 3.3Å; N37-K39 PolarHBondContact O-N 3.41Å; N37-H40 PolarHBondContact O-ND1 3.27Å |
| 38 | C | 48.7 | Very low | 53.2 | Low | 36 Ų | 36 | 79.7 Ų | 79.7 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | trans | -71.7 | 73.5 | -166.8 | -64.6 | 0 | 0 | 0 | 0 | 115.6 | S35 C61 H63 | S35-C38 PolarHBondContact O-SG 2.82Å; S35-C38 VanDerWaalsContact O-SG 3.41Å; C38-C61 HydrophobicContact CB-CB 3.74Å; C38-C61 VanDerWaalsContact SG-SG 3.65Å; C38-H63 WeakPolarHBondContact CB-CD2 3.45Å; C38-H63 VanDerWaalsContact CB-NE2 3.33Å; C38-H63 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 39 | K | 55.8 | Low | 53.6 | Low | 176 Ų | 176 | 81 Ų | 81 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | trans | -122.6 | 33.2 | 159.7 | -68.1 | -169.8 | 178.1 | -172.9 | 0 | 111.3 | N37 | N37-K39 PolarHBondContact O-N 3.41Š| ||
| 40 | H | 58.1 | Low | 54.4 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 14% | 0.139 | 40% | 0.396 | C | S | . | . | trans | -130.9 | 130.5 | -166.7 | -65.6 | 126.8 | 0 | 0 | 0 | 109.7 | D11 F12 R13 N37 C61 | D11-H40 WeakPolarHBondContact OD1-CB 3.29Å; D11-H40 IonicContact OD1-CD2 3.99Å; D11-H40 PolarHBondContact OD1-CD2 2.68Å; D11-H40 IonicContact OD1-CG 3.89Å; D11-H40 IonicContact OD1-ND1 3.17Å; D11-H40 IonicContact OD2-CG 3.98Å; F12-H40 WeakPolarHBondContact O-CA 3.28Å; R13-H40 WeakPolarHBondContact CG-CD2 3.48Å; R13-H40 WeakPolarHBondContact CG-NE2 3.14Å; R13-H40 PolarHBondContact NE-NE2 2.88Å; N37-H40 PolarHBondContact O-ND1 3.27Å; H40-C61 VanDerWaalsContact O-CB 3.29Å; H40-C61 WeakPolarHBondContact O-CB 3.15Å; H40-C61 PolarHBondContact O-N 3.38Å | ||
| 41 | S | 57.5 | Low | 54.8 | Low | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 136.9 | 160.9 | -79.8 | 0 | 0 | 0 | 0 | 107.8 | F12 K15 H59 D60 | F12-S41 VanDerWaalsContact CD1-O 3.28Å; F12-S41 WeakPolarHBondContact CD1-O 3.3Å; F12-S41 VanDerWaalsContact CD2-CB 3.42Å; F12-S41 WeakPolarHBondContact CE1-O 3.49Å; F12-S41 WeakPolarHBondContact CG-O 3.35Å; F12-S41 VanDerWaalsContact CZ-CB 3.49Å; F12-S41 PolarHBondContact N-O 3.16Å; F12-S41 PolarHBondContact O-N 3.28Å; F12-S41 VanDerWaalsContact O-O 3.11Å; K15-S41 WeakPolarHBondContact CE-OG 3.43Å; S41-H59 CarbonylContact C-O 3.54Å; S41-H59 WeakPolarHBondContact CA-O 3.09Å; S41-D60 PolarHBondContact OG-OD1 3.22Å |
| 42 | M | 60.7 | Low | 55.3 | Low | 26 Ų | 26 | 85.2 Ų | 85.2 | 13% | 0.128 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142 | -179.2 | 167.7 | 162.1 | -71.7 | 0 | 0 | 110.2 | I9 W10 D11 Y33 V44 E58 H59 | I9-M42 HydrophobicContact CG2-CE 3.25Å; I9-M42 HydrophobicContact CG2-CG 4.11Å; I9-M42 HydrophobicContact CG2-SD 3.59Å; I9-M42 VanDerWaalsContact CG2-SD 3.59Å; W10-M42 CarbonylContact O-C 3.53Å; W10-M42 VanDerWaalsContact O-CA 3.24Å; W10-M42 WeakPolarHBondContact O-CA 3.47Å; D11-M42 HydrophobicContact CB-CE 4.15Å; Y33-M42 HydrophobicContact CD1-CE 3.02Å; Y33-M42 HydrophobicContact CD1-SD 3.64Å; Y33-M42 HydrophobicContact CD2-CE 4.33Å; Y33-M42 HydrophobicContact CE1-CE 3.1Å; Y33-M42 HydrophobicContact CE1-SD 4.22Å; Y33-M42 HydrophobicContact CE2-CE 4.41Å; Y33-M42 HydrophobicContact CG-CE 3.68Å; Y33-M42 HydrophobicContact CG-SD 4.26Å; M42-V44 HydrophobicContact CG-CG2 4.37Å; M42-V44 HydrophobicContact SD-CG2 4.39Å; M42-E58 CarbonylContact O-C 3.55Å; M42-E58 WeakPolarHBondContact O-CA 3.33Å; M42-H59 HydrophobicContact CB-CB 4.45Å; M42-H59 PolarHBondContact N-O 3.44Å; M42-H59 PolarHBondContact O-N 2.81Å |
| 43 | A | 62.5 | Low | 55.8 | Low | 9 Ų | 9 | 82.3 Ų | 82.3 | 7% | 0.074 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | W10 F12 Q57 E58 | W10-A43 HydrophobicContact CB-CB 4.31Å; W10-A43 PolarHBondContact N-O 3.09Å; W10-A43 PolarHBondContact O-N 2.97Å; F12-A43 HydrophobicContact CE1-CB 3.98Å; A43-Q57 CarbonylContact C-O 3.52Å; A43-Q57 WeakPolarHBondContact CA-O 3.38Å; A43-E58 HydrophobicContact CB-CG 4.27Å |
| 44 | V | 63 | Low | 56.3 | Low | 22 Ų | 22 | 81.6 Ų | 81.6 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.3 | 172.5 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | I7 I9 M42 I55 L56 Q57 | I7-V44 HydrophobicContact CG2-CG1 3.54Å; I9-V44 HydrophobicContact CG1-CG1 4.48Å; I9-V44 HydrophobicContact CG1-CG2 4.4Å; M42-V44 HydrophobicContact CG-CG2 4.37Å; M42-V44 HydrophobicContact SD-CG2 4.39Å; V44-I55 CarbonylContact O-C 3.55Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V44-L56 HydrophobicContact CB-CB 4.36Å; V44-L56 HydrophobicContact CG1-CB 4.27Å; V44-L56 HydrophobicContact CG1-CD1 4.17Å; V44-L56 PolarHBondContact O-N 2.83Å; V44-Q57 PolarHBondContact N-O 2.78Å |
| 45 | V | 61.6 | Low | 57.1 | Low | 17 Ų | 17 | 80.1 Ų | 80.1 | 10% | 0.103 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.7 | -177.7 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | I7 I8 M47 P53 T54 I55 | I7-V45 WeakPolarHBondContact CA-O 3.17Å; I8-V45 PolarHBondContact N-O 2.89Å; I8-V45 PolarHBondContact O-N 3.14Å; V45-M47 HydrophobicContact CG1-CG 4.22Å; V45-P53 HydrophobicContact CG1-CB 3.43Å; V45-P53 VanDerWaalsContact CG1-CB 3.43Å; V45-T54 WeakPolarHBondContact CA-O 3.39Å; V45-I55 HydrophobicContact CG2-CG1 4.21Å |
| 46 | L | 63.7 | Low | 57.8 | Low | 30 Ų | 30 | 82.9 Ų | 82.9 | 16% | 0.157 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112.7 | 172.2 | -167.8 | 69.2 | 0 | 0 | 0 | 109.6 | T5 I7 H48 P53 T54 L56 | T5-L46 HydrophobicContact CG2-CD1 3.36Å; T5-L46 HydrophobicContact CG2-CD2 4.47Å; T5-L46 HydrophobicContact CG2-CG 3.92Å; I7-L46 HydrophobicContact CD1-CD1 4.38Å; I7-L46 HydrophobicContact CG1-CD1 3.61Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.38Å; L46-P53 VanDerWaalsContact O-CA 3.3Å; L46-P53 WeakPolarHBondContact O-CA 3.39Å; L46-T54 PolarHBondContact N-O 2.75Å; L46-T54 PolarHBondContact O-N 3.35Å; L46-L56 HydrophobicContact CB-CD1 3.89Å; L46-L56 HydrophobicContact CB-CG 4.08Å; L46-L56 HydrophobicContact CD1-CD1 4.4Å |
| 47 | M | 61.3 | Low | 58.5 | Low | 77 Ų | 77 | 81 Ų | 81 | 38% | 0.379 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.7 | 175.7 | -67.5 | -104 | -75.7 | 0 | 0 | 109.4 | Y6 I8 V45 P53 | Y6-M47 PolarHBondContact N-O 3.03Å; Y6-M47 PolarHBondContact O-N 2.77Å; I8-M47 HydrophobicContact CD1-CE 3.87Å; I8-M47 HydrophobicContact CD1-CG 3.8Å; I8-M47 HydrophobicContact CD1-SD 4.4Å; I8-M47 HydrophobicContact CG1-CG 4.18Å; V45-M47 HydrophobicContact CG1-CG 4.22Å; M47-P53 HydrophobicContact CG-CB 4.24Å; M47-P53 HydrophobicContact SD-CB 3.8Å; M47-P53 HydrophobicContact SD-CG 4.19Å |
| 48 | H | 60.9 | Low | 59.2 | Low | 61 Ų | 61 | 81.3 Ų | 81.3 | 28% | 0.282 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.2 | 163.8 | -67 | -87.2 | 0 | 0 | 0 | 107.9 | T5 L46 R50 H51 | T5-H48 WeakPolarHBondContact CG2-CE1 3.23Å; T5-H48 PolarHBondContact OG1-CE1 3.22Å; T5-H48 VanDerWaalsContact OG1-CE1 3.28Å; T5-H48 PolarHBondContact OG1-ND1 3.41Å; T5-H48 VanDerWaalsContact OG1-ND1 3.16Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.38Å; H48-R50 PolarHBondContact O-N 2.56Å; H48-H51 HydrophobicContact CB-CB 3.93Å; H48-H51 PolarHBondContact O-N 3.21Å |
| 49 | F | 55.8 | Low | 59.8 | Low | 149 Ų | 149 | 84.9 Ų | 84.9 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -1.9 | 177 | -86.7 | -104.4 | 0 | 0 | 0 | 114.9 | I3 G4 Y6 | I3-F49 HydrophobicContact CG2-CB 4.45Å; G4-F49 WeakPolarHBondContact O-CD2 3.33Å; Y6-F49 AromaticContact CD2-CD2 3.85Å; Y6-F49 HydrophobicContact CD2-CD2 3.85Å; Y6-F49 AromaticContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CZ 4.42Å; Y6-F49 AromaticContact CE2-CD2 3.74Å; Y6-F49 HydrophobicContact CE2-CD2 3.74Å; Y6-F49 AromaticContact CE2-CE2 3.08Å; Y6-F49 HydrophobicContact CE2-CE2 3.08Å; Y6-F49 AromaticContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CG-CE2 4.35Å; Y6-F49 AromaticContact CZ-CE2 3.96Å |
| 50 | R | 58.7 | Low | 59.9 | Low | 196 Ų | 196 | 80.6 Ų | 80.6 | 74% | 0.74 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | -3.5 | 178.2 | -68.6 | -173.7 | 175.5 | -174.8 | -2.3 | 114.9 | H48 | H48-R50 PolarHBondContact O-N 2.56Š|
| 51 | H | 54.8 | Low | 59.8 | Low | 137 Ų | 137 | 80 Ų | 80 | 63% | 0.634 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 153.4 | -177.1 | -62.3 | -129.4 | 0 | 0 | 0 | 110.1 | H48 | H48-H51 HydrophobicContact CB-CB 3.93Å; H48-H51 PolarHBondContact O-N 3.21Å |
| 52 | V | 56.7 | Low | 59.6 | Low | 123 Ų | 123 | 84.4 Ų | 84.4 | 75% | 0.745 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 133.2 | 173.1 | -178 | 0 | 0 | 0 | 0 | 108.8 | T54 | V52-T54 PolarHBondContact O-N 3.14Å |
| 53 | P | 58.1 | Low | 59.2 | Low | 66 Ų | 66 | 89.8 Ų | 89.8 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 132.4 | 174.7 | 16.5 | -28.4 | 0 | 0 | 0 | 110.7 | V45 L46 M47 | V45-P53 HydrophobicContact CG1-CB 3.43Å; V45-P53 VanDerWaalsContact CG1-CB 3.43Å; L46-P53 VanDerWaalsContact O-CA 3.3Å; L46-P53 WeakPolarHBondContact O-CA 3.39Å; M47-P53 HydrophobicContact CG-CB 4.24Å; M47-P53 HydrophobicContact SD-CB 3.8Å; M47-P53 HydrophobicContact SD-CG 4.19Å |
| 54 | T | 59.2 | Low | 58.3 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 120.8 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 108.8 | V45 L46 V52 L56 | V45-T54 WeakPolarHBondContact CA-O 3.39Å; L46-T54 PolarHBondContact N-O 2.75Å; L46-T54 PolarHBondContact O-N 3.35Å; V52-T54 PolarHBondContact O-N 3.14Å; T54-L56 PolarHBondContact O-N 2.84Å |
| 55 | I | 60.6 | Low | 58 | Low | 96 Ų | 96 | 103.4 Ų | 103.4 | 49% | 0.492 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 114.4 | 169.3 | -53.6 | 175.6 | 0 | 0 | 0 | 106.7 | V44 V45 E58 | V44-I55 CarbonylContact O-C 3.55Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V45-I55 HydrophobicContact CG2-CG1 4.21Å; I55-E58 HydrophobicContact CG2-CG 3.71Å |
| 56 | L | 62.2 | Low | 57.8 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 48% | 0.482 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | -40.7 | -179 | -73.9 | 172.8 | 0 | 0 | 0 | 111.5 | V44 L46 T54 | V44-L56 HydrophobicContact CB-CB 4.36Å; V44-L56 HydrophobicContact CG1-CB 4.27Å; V44-L56 HydrophobicContact CG1-CD1 4.17Å; V44-L56 PolarHBondContact O-N 2.83Å; L46-L56 HydrophobicContact CB-CD1 3.89Å; L46-L56 HydrophobicContact CB-CG 4.08Å; L46-L56 HydrophobicContact CD1-CD1 4.4Å; T54-L56 PolarHBondContact O-N 2.84Å |
| 57 | Q | 61.7 | Low | 57.5 | Low | 139 Ų | 139 | 112.3 Ų | 112.3 | 65% | 0.65 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -153 | 134.7 | -177.1 | -100.2 | 175.4 | -20.7 | 0 | 0 | 110.1 | A43 V44 | A43-Q57 CarbonylContact C-O 3.52Å; A43-Q57 WeakPolarHBondContact CA-O 3.38Å; V44-Q57 PolarHBondContact N-O 2.78Å |
| 58 | E | 61.2 | Low | 57.3 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.4 | 161 | -62.7 | -171.9 | 140.6 | 0 | 0 | 107.7 | M42 A43 I55 | M42-E58 CarbonylContact O-C 3.55Å; M42-E58 WeakPolarHBondContact O-CA 3.33Å; A43-E58 HydrophobicContact CB-CG 4.27Å; I55-E58 HydrophobicContact CG2-CG 3.71Å |
| 59 | H | 62 | Low | 57.1 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 52% | 0.519 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.2 | 175.2 | -167.9 | -76.1 | 0 | 0 | 0 | 108.7 | S41 M42 C61 | S41-H59 CarbonylContact C-O 3.54Å; S41-H59 WeakPolarHBondContact CA-O 3.09Å; M42-H59 HydrophobicContact CB-CB 4.45Å; M42-H59 PolarHBondContact N-O 3.44Å; M42-H59 PolarHBondContact O-N 2.81Å; H59-C61 PolarHBondContact CE1-SG 3.35Å; H59-C61 PolarHBondContact ND1-SG 3.12Å |
| 60 | D | 58.5 | Low | 57.1 | Low | 86 Ų | 86 | 115.6 Ų | 115.6 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 99.4 | 172.5 | -159.8 | -14.9 | 0 | 0 | 0 | 108.9 | K15 S41 S62 | K15-D60 WeakPolarHBondContact CE-OD2 3.48Å; K15-D60 IonicContact NZ-OD2 2.68Å; K15-D60 PolarHBondContact NZ-OD2 2.89Å; S41-D60 PolarHBondContact OG-OD1 3.22Å; D60-S62 PolarHBondContact O-N 2.87Å |
| 61 | C | 56.2 | Low | 57 | Low | 18 Ų | 18 | 109.9 Ų | 109.9 | 12% | 0.122 | 59% | 0.593 | C | S | . | * | trans | -82.6 | 87.8 | 172.3 | -85.8 | 0 | 0 | 0 | 0 | 109.8 | C38 H40 H59 | C38-C61 HydrophobicContact CB-CB 3.74Å; C38-C61 VanDerWaalsContact SG-SG 3.65Å; H40-C61 VanDerWaalsContact O-CB 3.29Å; H40-C61 WeakPolarHBondContact O-CB 3.15Å; H40-C61 PolarHBondContact O-N 3.38Å; H59-C61 PolarHBondContact CE1-SG 3.35Å; H59-C61 PolarHBondContact ND1-SG 3.12Å | ||
| 62 | S | 52.4 | Low | 57.2 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 71% | 0.706 | 59% | 0.59 | S | S | * | * | trans | -94.6 | 100.9 | 163.8 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | D60 | D60-S62 PolarHBondContact O-N 2.87Š| ||
| 63 | H | 52.5 | Low | 57.2 | Low | 140 Ų | 140 | 106.5 Ų | 106.5 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | trans | -86.5 | 124.9 | 160.5 | -76.5 | -102.8 | 0 | 0 | 0 | 109 | C38 | C38-H63 WeakPolarHBondContact CB-CD2 3.45Å; C38-H63 VanDerWaalsContact CB-NE2 3.33Å; C38-H63 WeakPolarHBondContact CB-NE2 3.45Å | ||
| 64 | T | 42.3 | Very low | 57.2 | Low | 213 Ų | 213 | 110.2 Ų | 110.2 | 100% | 1.307 | 59% | 0.591 | S | S | * | * | trans | -56.8 | 0 | 158.2 | 49.3 | 0 | 0 | 0 | 0 | 111 |
Retrieved 64 of 64 residues in 98.3 ms
(Link to these results)