| 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 | 32.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 94.4 Ų | 94.4 | 81% | 0.808 | 53% | 0.526 | S | S | * | . | 0 | 125.8 | 0 | -176.6 | 173.9 | 179.9 | 0 | 0 | 107.5 | F16 | M1-F16 HydrophobicContact CE-CD1 3.68Å; M1-F16 HydrophobicContact CE-CE1 4.2Å; M1-F16 HydrophobicContact CE-CG 4.38Å | |||
| 2 | F | 32.8 | Very low | 32.6 | Very low | 72 Ų | 72 | 94.9 Ų | 94.9 | 32% | 0.316 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.8 | 179.8 | -32.1 | -77.3 | 0 | 0 | 0 | 108.9 | F17 S19 F21 | F2-F17 PolarHBondContact N-O 3.11Å; F2-F17 PolarHBondContact O-N 2.96Å; F2-F17 VanDerWaalsContact O-N 3.16Å; F2-S19 VanDerWaalsContact CE2-O 3.27Å; F2-S19 WeakPolarHBondContact CE2-O 3.41Å; F2-F21 WeakPolarHBondContact CZ-O 3.44Å |
| 3 | A | 29.1 | Very low | 32.3 | Very low | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.2 | 175 | 0 | 0 | 0 | 0 | 0 | 108.9 | F16 | A3-F16 HydrophobicContact CB-CD1 4.08Å; A3-F16 HydrophobicContact CB-CE1 3.9Å |
| 4 | L | 33.2 | Very low | 32.1 | Very low | 9 Ų | 9 | 89.4 Ų | 89.4 | 5% | 0.047 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.9 | 170.2 | -174.4 | 88.3 | 0 | 0 | 0 | 108.3 | I6 G14 F15 F17 V27 I49 | L4-I6 HydrophobicContact CD2-CD1 3.7Å; L4-I6 HydrophobicContact CD2-CG1 3.55Å; L4-I6 HydrophobicContact CG-CG1 4.13Å; L4-G14 CarbonylContact O-C 3.58Å; L4-G14 WeakPolarHBondContact O-CA 3.3Å; L4-F15 WeakPolarHBondContact CA-O 3.33Å; L4-F15 WeakPolarHBondContact CB-O 3.44Å; L4-F15 HydrophobicContact CD2-CB 4.5Å; L4-F15 PolarHBondContact N-O 3.46Å; L4-F15 PolarHBondContact O-N 2.91Å; L4-F17 HydrophobicContact CB-CD2 3.84Å; L4-F17 HydrophobicContact CB-CE2 3.78Å; L4-F17 HydrophobicContact CD2-CD2 4.46Å; L4-F17 HydrophobicContact CD2-CE2 3.63Å; L4-F17 HydrophobicContact CD2-CZ 4.44Å; L4-F17 HydrophobicContact CG-CE2 4.28Å; L4-V27 HydrophobicContact CD1-CB 4.37Å; L4-V27 HydrophobicContact CD1-CG1 3.4Å; L4-V27 VanDerWaalsContact CD1-CG1 3.4Å; L4-V27 HydrophobicContact CD1-CG2 4.12Å; L4-I49 HydrophobicContact CD1-CD1 3.8Å; L4-I49 HydrophobicContact CD2-CD1 3.18Å; L4-I49 HydrophobicContact CG-CD1 4.11Å |
| 5 | I | 29.6 | Very low | 32.2 | Very low | 99 Ų | 99 | 89.5 Ų | 89.5 | 51% | 0.508 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 108.8 | 174.8 | -57.3 | 176.3 | 0 | 0 | 0 | 107.5 | T12 I29 | I5-T12 HydrophobicContact CG2-CG2 3.43Å; I5-T12 VanDerWaalsContact CG2-CG2 3.43Å; I5-I29 WeakPolarHBondContact O-CD1 3.47Å |
| 6 | I | 34.3 | Very low | 32.1 | Very low | 49 Ų | 49 | 93.1 Ų | 93.1 | 25% | 0.251 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.5 | 173.9 | -52.8 | 178.1 | 0 | 0 | 0 | 107.3 | L4 T12 S13 F15 I49 | L4-I6 HydrophobicContact CD2-CD1 3.7Å; L4-I6 HydrophobicContact CD2-CG1 3.55Å; L4-I6 HydrophobicContact CG-CG1 4.13Å; I6-T12 WeakPolarHBondContact O-CA 3.17Å; I6-S13 PolarHBondContact N-O 3.44Å; I6-S13 PolarHBondContact O-N 3.49Å; I6-F15 HydrophobicContact CD1-CD2 3.69Å; I6-F15 HydrophobicContact CD1-CE2 3.82Å; I6-F15 HydrophobicContact CG1-CD2 4.2Å; I6-I49 HydrophobicContact CD1-CG2 4.11Å |
| 7 | S | 31 | Very low | 32.3 | Very low | 77 Ų | 77 | 92.6 Ų | 92.6 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.3 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 8 | S | 37.6 | Very low | 32.2 | Very low | 57 Ų | 57 | 96 Ų | 96 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 128.7 | 171.6 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | G10 K11 | S8-G10 VanDerWaalsContact C-N 3.3Å; S8-G10 PolarHBondContact O-N 2.66Å; S8-K11 PolarHBondContact N-O 3.02Å; S8-K11 VanDerWaalsContact N-O 3.08Å; S8-K11 PolarHBondContact O-N 3.18Å |
| 9 | K | 36.9 | Very low | 32.3 | Very low | 209 Ų | 209 | 93.1 Ų | 93.1 | 91% | 0.909 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 46.9 | 179.5 | -65.8 | -172 | 173.8 | -176.5 | 0 | 113.9 | K11 | K9-K11 PolarHBondContact O-N 3.14Š|
| 10 | G | 31.3 | Very low | 32.4 | Very low | 75 Ų | 75 | 94.9 Ų | 94.9 | 77% | 0.773 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S8 | S8-G10 VanDerWaalsContact C-N 3.3Å; S8-G10 PolarHBondContact O-N 2.66Å |
| 11 | K | 31.3 | Very low | 32.7 | Very low | 163 Ų | 163 | 96.2 Ų | 96.2 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.6 | 169.3 | -69 | -172.7 | 178.5 | -176.9 | 0 | 109.4 | S8 K9 | S8-K11 PolarHBondContact N-O 3.02Å; S8-K11 VanDerWaalsContact N-O 3.08Å; S8-K11 PolarHBondContact O-N 3.18Å; K9-K11 PolarHBondContact O-N 3.14Å |
| 12 | T | 30.6 | Very low | 32.7 | Very low | 101 Ų | 101 | 92.9 Ų | 92.9 | 62% | 0.62 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.1 | 173.2 | -40.8 | 0 | 0 | 0 | 0 | 108 | I5 I6 | I5-T12 HydrophobicContact CG2-CG2 3.43Å; I5-T12 VanDerWaalsContact CG2-CG2 3.43Å; I6-T12 WeakPolarHBondContact O-CA 3.17Å |
| 13 | S | 29.7 | Very low | 32.7 | Very low | 61 Ų | 61 | 94.9 Ų | 94.9 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 115.3 | 172.1 | -59.5 | 0 | 0 | 0 | 0 | 108.5 | I6 | I6-S13 PolarHBondContact N-O 3.44Å; I6-S13 PolarHBondContact O-N 3.49Å |
| 14 | G | 28.5 | Very low | 33.1 | Very low | 52 Ų | 52 | 95.4 Ų | 95.4 | 54% | 0.536 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | L4 | L4-G14 CarbonylContact O-C 3.58Å; L4-G14 WeakPolarHBondContact O-CA 3.3Å |
| 15 | F | 34.5 | Very low | 33.2 | Very low | 90 Ų | 90 | 97.3 Ų | 97.3 | 40% | 0.395 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.2 | 128.7 | 169.9 | -66.4 | -86.6 | 0 | 0 | 0 | 108.6 | L4 I6 F17 | L4-F15 WeakPolarHBondContact CA-O 3.33Å; L4-F15 WeakPolarHBondContact CB-O 3.44Å; L4-F15 HydrophobicContact CD2-CB 4.5Å; L4-F15 PolarHBondContact N-O 3.46Å; L4-F15 PolarHBondContact O-N 2.91Å; I6-F15 HydrophobicContact CD1-CD2 3.69Å; I6-F15 HydrophobicContact CD1-CE2 3.82Å; I6-F15 HydrophobicContact CG1-CD2 4.2Å; F15-F17 HydrophobicContact CB-CD2 4.45Å; F15-F17 HydrophobicContact CB-CE2 3.7Å; F15-F17 HydrophobicContact CB-CZ 4.22Å |
| 16 | F | 30.4 | Very low | 33.4 | Very low | 147 Ų | 147 | 99.1 Ų | 99.1 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 124.1 | 175.7 | -68.1 | -86.2 | 0 | 0 | 0 | 109.1 | M1 A3 | M1-F16 HydrophobicContact CE-CD1 3.68Å; M1-F16 HydrophobicContact CE-CE1 4.2Å; M1-F16 HydrophobicContact CE-CG 4.38Å; A3-F16 HydrophobicContact CB-CD1 4.08Å; A3-F16 HydrophobicContact CB-CE1 3.9Å |
| 17 | F | 34.6 | Very low | 33.5 | Very low | 86 Ų | 86 | 100.2 Ų | 100.2 | 38% | 0.377 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.6 | 170.9 | -66 | -87.8 | 0 | 0 | 0 | 108.6 | F2 L4 F15 S19 | F2-F17 PolarHBondContact N-O 3.11Å; F2-F17 PolarHBondContact O-N 2.96Å; F2-F17 VanDerWaalsContact O-N 3.16Å; L4-F17 HydrophobicContact CB-CD2 3.84Å; L4-F17 HydrophobicContact CB-CE2 3.78Å; L4-F17 HydrophobicContact CD2-CD2 4.46Å; L4-F17 HydrophobicContact CD2-CE2 3.63Å; L4-F17 HydrophobicContact CD2-CZ 4.44Å; L4-F17 HydrophobicContact CG-CE2 4.28Å; F15-F17 HydrophobicContact CB-CD2 4.45Å; F15-F17 HydrophobicContact CB-CE2 3.7Å; F15-F17 HydrophobicContact CB-CZ 4.22Å; F17-S19 PolarHBondContact O-N 3.33Å |
| 18 | N | 30.6 | Very low | 33.7 | Very low | 153 Ų | 153 | 99.3 Ų | 99.3 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -86.8 | 95.5 | 161.7 | -162.3 | 12.3 | 0 | 0 | 0 | 107 | ||||
| 19 | S | 34.4 | Very low | 33.7 | Very low | 41 Ų | 41 | 102 Ų | 102 | 29% | 0.287 | 60% | 0.603 | S | S | . | * | trans | -119.7 | 138.1 | 172.9 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | F2 F17 F21 | F2-S19 VanDerWaalsContact CE2-O 3.27Å; F2-S19 WeakPolarHBondContact CE2-O 3.41Å; F17-S19 PolarHBondContact O-N 3.33Å; S19-F21 PolarHBondContact O-N 2.98Å; S19-F21 VanDerWaalsContact O-N 3.13Å; S19-F21 WeakPolarHBondContact OG-CD2 3.08Å; S19-F21 PolarHBondContact OG-N 3.24Å | ||
| 20 | S | 34.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 94.1 Ų | 94.1 | 90% | 0.895 | 58% | 0.576 | S | S | * | * | trans | -70.9 | 9.7 | 170.2 | -44.9 | 0 | 0 | 0 | 0 | 113 | S22 | S20-S22 VanDerWaalsContact C-N 3.32Å; S20-S22 PolarHBondContact O-N 3.19Å | ||
| 21 | F | 40 | Very low | 33.9 | Very low | 124 Ų | 124 | 95.4 Ų | 95.4 | 54% | 0.544 | 57% | 0.571 | S | S | . | * | trans | -62.1 | 94.5 | 172.5 | -83.3 | -63.6 | 0 | 0 | 0 | 109.9 | F2 S19 S23 | F2-F21 WeakPolarHBondContact CZ-O 3.44Å; S19-F21 PolarHBondContact O-N 2.98Å; S19-F21 VanDerWaalsContact O-N 3.13Å; S19-F21 WeakPolarHBondContact OG-CD2 3.08Å; S19-F21 PolarHBondContact OG-N 3.24Å; F21-S23 PolarHBondContact O-N 2.77Å | ||
| 22 | S | 31.6 | Very low | 34.3 | Very low | 93 Ų | 93 | 90.1 Ų | 90.1 | 65% | 0.65 | 55% | 0.551 | S | S | * | * | trans | -23.4 | 116.3 | 165.8 | 174.2 | 0 | 0 | 0 | 0 | 113.2 | S20 S24 | S20-S22 VanDerWaalsContact C-N 3.32Å; S20-S22 PolarHBondContact O-N 3.19Å; S22-S24 PolarHBondContact O-N 2.82Å | ||
| 23 | S | 32.6 | Very low | 34.6 | Very low | 115 Ų | 115 | 91.7 Ų | 91.7 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 29.7 | 10.2 | 149.4 | -43.2 | 0 | 0 | 0 | 0 | 122.4 | F21 | F21-S23 PolarHBondContact O-N 2.77Š|
| 24 | S | 38.3 | Very low | 34.6 | Very low | 74 Ų | 74 | 91.6 Ų | 91.6 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | trans | -148.2 | 15.4 | -168 | -53.2 | 0 | 0 | 0 | 0 | 114.4 | S22 L26 F43 | S22-S24 PolarHBondContact O-N 2.82Å; S24-L26 PolarHBondContact O-N 3.48Å; S24-F43 WeakPolarHBondContact O-CD1 3.34Å; S24-F43 WeakPolarHBondContact O-CG 2.92Å | ||
| 25 | A | 36.1 | Very low | 35 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 58% | 0.575 | S | S | . | * | trans | -85.7 | 96.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | L | 33.9 | Very low | 34.8 | Very low | 136 Ų | 136 | 98.6 Ų | 98.6 | 71% | 0.712 | 59% | 0.585 | S | S | * | * | trans | -87.6 | 114.4 | 166.3 | -137.3 | 123.9 | 0 | 0 | 0 | 108.3 | S24 G28 F43 | S24-L26 PolarHBondContact O-N 3.48Å; L26-G28 PolarHBondContact O-N 3.33Å; L26-F43 HydrophobicContact CB-CD2 4.32Å; L26-F43 HydrophobicContact CB-CE2 3.68Å; L26-F43 HydrophobicContact CB-CZ 3.86Å; L26-F43 HydrophobicContact CD1-CZ 4.3Å | ||
| 27 | V | 35.9 | Very low | 34.9 | Very low | 72 Ų | 72 | 93.5 Ų | 93.5 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | trans | -77.1 | 107.5 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | L4 I29 | L4-V27 HydrophobicContact CD1-CB 4.37Å; L4-V27 HydrophobicContact CD1-CG1 3.4Å; L4-V27 VanDerWaalsContact CD1-CG1 3.4Å; L4-V27 HydrophobicContact CD1-CG2 4.12Å; V27-I29 HydrophobicContact CG1-CG1 4.39Å | ||
| 28 | G | 35.3 | Very low | 34.6 | Very low | 59 Ų | 59 | 97 Ų | 97 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | trans | -91.2 | 117.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 | L26-G28 PolarHBondContact O-N 3.33Š| ||
| 29 | I | 36.9 | Very low | 34.7 | Very low | 113 Ų | 113 | 92.5 Ų | 92.5 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | trans | -95.9 | 98.7 | 169.2 | -56.3 | 169.8 | 0 | 0 | 0 | 107 | I5 V27 | I5-I29 WeakPolarHBondContact O-CD1 3.47Å; V27-I29 HydrophobicContact CG1-CG1 4.39Å | ||
| 30 | A | 35.7 | Very low | 34.5 | Very low | 43 Ų | 43 | 96.2 Ų | 96.2 | 36% | 0.355 | 59% | 0.591 | S | S | . | * | trans | -85 | 129.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | L32 A37 | A30-L32 PolarHBondContact O-N 3.13Å; A30-A37 HydrophobicContact CB-CB 4.23Å | ||
| 31 | P | 36 | Very low | 34.6 | Very low | 103 Ų | 103 | 91.6 Ų | 91.6 | 67% | 0.669 | 56% | 0.558 | S | S | * | * | trans | -63 | 107.8 | 168.8 | 24.6 | -30.1 | 0 | 0 | 0 | 108.4 | T33 | P31-T33 PolarHBondContact O-N 2.88Š| ||
| 32 | L | 40.3 | Very low | 34.1 | Very low | 52 Ų | 52 | 91.4 Ų | 91.4 | 27% | 0.272 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | 63.6 | 169.8 | -95.4 | 89.5 | 0 | 0 | 0 | 110 | A30 A37 L50 F59 | A30-L32 PolarHBondContact O-N 3.13Å; L32-A37 HydrophobicContact CD1-CB 3.9Å; L32-A37 HydrophobicContact CG-CB 4.25Å; L32-L50 HydrophobicContact CD2-CD2 3.95Å; L32-F59 HydrophobicContact CD2-CD1 3.77Å; L32-F59 HydrophobicContact CD2-CE1 3.08Å; L32-F59 HydrophobicContact CD2-CE2 4.46Å; L32-F59 HydrophobicContact CD2-CZ 3.47Å; L32-F59 VanDerWaalsContact CD2-CZ 3.47Å; L32-F59 HydrophobicContact CG-CE1 4.44Å |
| 33 | T | 38.1 | Very low | 34.1 | Very low | 134 Ų | 134 | 90.1 Ų | 90.1 | 82% | 0.822 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -12.5 | 164.2 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | P31 | P31-T33 PolarHBondContact O-N 2.88Š|
| 34 | A | 30 | Very low | 34.2 | Very low | 59 Ų | 59 | 93.4 Ų | 93.4 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -108.5 | 141 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S36 | A34-S36 PolarHBondContact O-N 2.85Š|
| 35 | Y | 35.3 | Very low | 34.3 | Very low | 202 Ų | 202 | 92.8 Ų | 92.8 | 79% | 0.792 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -56.8 | 5.7 | 177.1 | -89.1 | -104.1 | 0 | 0 | 0 | 115.4 | K57 | Y35-K57 PolarHBondContact OH-NZ 3.29Š|
| 36 | S | 29.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 93 Ų | 93 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | trans | -150.9 | 114.5 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | A34 | A34-S36 PolarHBondContact O-N 2.85Š| ||
| 37 | A | 33 | Very low | 34.9 | Very low | 41 Ų | 41 | 91.1 Ų | 91.1 | 34% | 0.339 | 53% | 0.527 | S | S | . | . | trans | -94.8 | 103.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | A30 L32 V39 | A30-A37 HydrophobicContact CB-CB 4.23Å; L32-A37 HydrophobicContact CD1-CB 3.9Å; L32-A37 HydrophobicContact CG-CB 4.25Å; A37-V39 VanDerWaalsContact C-N 3.34Å; A37-V39 HydrophobicContact CB-CG2 4.43Å; A37-V39 PolarHBondContact O-N 2.87Å | ||
| 38 | L | 28.7 | Very low | 35.2 | Very low | 158 Ų | 158 | 88.9 Ų | 88.9 | 83% | 0.827 | 51% | 0.514 | S | S | * | . | trans | -77.2 | 90.2 | 171.2 | -126.5 | 144.8 | 0 | 0 | 0 | 107.3 | ||||
| 39 | V | 32.9 | Very low | 35.5 | Very low | 59 Ų | 59 | 88.6 Ų | 88.6 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | trans | -86.9 | 110.2 | 172.2 | -179 | 0 | 0 | 0 | 0 | 107 | A37 P41 | A37-V39 VanDerWaalsContact C-N 3.34Å; A37-V39 HydrophobicContact CB-CG2 4.43Å; A37-V39 PolarHBondContact O-N 2.87Å; V39-P41 WeakPolarHBondContact O-CD 3.15Å | ||
| 40 | T | 30.2 | Very low | 35.9 | Very low | 120 Ų | 120 | 84 Ų | 84 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | trans | -74.3 | 106.3 | 168.7 | -19 | 0 | 0 | 0 | 0 | 107.7 | V42 | T40-V42 PolarHBondContact O-N 3.08Š| ||
| 41 | P | 35.6 | Very low | 36.1 | Very low | 31 Ų | 31 | 84.8 Ų | 84.8 | 20% | 0.201 | 48% | 0.475 | C | S | . | . | trans | -91.9 | 106.1 | -175.1 | 34.2 | -24.4 | 0 | 0 | 0 | 108.1 | V39 F43 P64 | V39-P41 WeakPolarHBondContact O-CD 3.15Å; P41-F43 PolarHBondContact O-N 3.13Å; P41-P64 HydrophobicContact CG-CG 3.44Å; P41-P64 VanDerWaalsContact CG-CG 3.44Å | ||
| 42 | V | 28.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 84 Ų | 84 | 72% | 0.721 | 48% | 0.477 | S | S | * | . | trans | -80 | 9 | 168.1 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | T40 | T40-V42 PolarHBondContact O-N 3.08Š| ||
| 43 | F | 32.6 | Very low | 36 | Very low | 67 Ų | 67 | 84.5 Ų | 84.5 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -136.9 | 141.9 | -165.3 | -55 | -72 | 0 | 0 | 0 | 113.5 | S24 L26 P41 S45 F65 | S24-F43 WeakPolarHBondContact O-CD1 3.34Å; S24-F43 WeakPolarHBondContact O-CG 2.92Å; L26-F43 HydrophobicContact CB-CD2 4.32Å; L26-F43 HydrophobicContact CB-CE2 3.68Å; L26-F43 HydrophobicContact CB-CZ 3.86Å; L26-F43 HydrophobicContact CD1-CZ 4.3Å; P41-F43 PolarHBondContact O-N 3.13Å; F43-S45 PolarHBondContact O-N 2.99Å; F43-S45 VanDerWaalsContact O-N 3.08Å; F43-F65 WeakPolarHBondContact O-CE2 3Å |
| 44 | K | 35.6 | Very low | 36.1 | Very low | 183 Ų | 183 | 81.1 Ų | 81.1 | 80% | 0.796 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -58.9 | -16.3 | -179.4 | -73.3 | -177.7 | 177.2 | 177.6 | 0 | 115.3 | F65 | K44-F65 HydrophobicContact CB-CE1 4.45Å; K44-F65 HydrophobicContact CB-CZ 4.26Å; K44-F65 HydrophobicContact CG-CE1 3.96Å; K44-F65 HydrophobicContact CG-CZ 4.01Å |
| 45 | S | 40.2 | Very low | 36.4 | Very low | 61 Ų | 61 | 87.3 Ų | 87.3 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | trans | -143.3 | 132.9 | 179.4 | -52.5 | 0 | 0 | 0 | 0 | 108.9 | F43 | F43-S45 PolarHBondContact O-N 2.99Å; F43-S45 VanDerWaalsContact O-N 3.08Å | ||
| 46 | F | 40.9 | Very low | 36.3 | Very low | 56 Ų | 56 | 83.7 Ų | 83.7 | 25% | 0.246 | 49% | 0.492 | C | S | . | . | trans | -125.7 | 142.7 | 177.7 | 64.8 | -73.5 | 0 | 0 | 0 | 107.5 | V48 V61 T63 | F46-V48 HydrophobicContact CD2-CG2 3.93Å; F46-V48 HydrophobicContact CE2-CG2 4.34Å; F46-V61 HydrophobicContact CD2-CB 4.14Å; F46-V61 HydrophobicContact CD2-CG1 3.34Å; F46-V61 HydrophobicContact CD2-CG2 4.49Å; F46-V61 HydrophobicContact CE2-CB 3.38Å; F46-V61 HydrophobicContact CE2-CG1 3.07Å; F46-V61 HydrophobicContact CE2-CG2 3.83Å; F46-V61 HydrophobicContact CG-CG1 4.28Å; F46-V61 HydrophobicContact CZ-CB 4.02Å; F46-V61 HydrophobicContact CZ-CG1 3.87Å; F46-T63 HydrophobicContact CD1-CG2 3.38Å; F46-T63 HydrophobicContact CD2-CG2 4.45Å; F46-T63 HydrophobicContact CE1-CG2 2.87Å; F46-T63 HydrophobicContact CE2-CG2 4Å; F46-T63 HydrophobicContact CG-CG2 4.19Å; F46-T63 HydrophobicContact CZ-CG2 3.17Å | ||
| 47 | L | 40.1 | Very low | 36.4 | Very low | 96 Ų | 96 | 84 Ų | 84 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | trans | -120.5 | 112.8 | 176.4 | -167.7 | 83.4 | 0 | 0 | 0 | 106.9 | I49 I72 | L47-I49 HydrophobicContact CD2-CD1 3.76Å; L47-I49 HydrophobicContact CD2-CG1 4.03Å; L47-I49 HydrophobicContact CG-CD1 4.48Å; L47-I49 HydrophobicContact CG-CG1 4.21Å; L47-I72 HydrophobicContact CD1-CD1 4.26Å | ||
| 48 | V | 42.8 | Very low | 36.5 | Very low | 25 Ų | 25 | 87.6 Ų | 87.6 | 15% | 0.152 | 51% | 0.505 | C | S | . | . | trans | -100 | 119.2 | 173.5 | -178 | 0 | 0 | 0 | 0 | 108.2 | F46 L50 V61 | F46-V48 HydrophobicContact CD2-CG2 3.93Å; F46-V48 HydrophobicContact CE2-CG2 4.34Å; V48-L50 HydrophobicContact CG1-CD1 4.06Å; V48-V61 HydrophobicContact CB-CG2 3.97Å; V48-V61 HydrophobicContact CG1-CG2 4.48Å; V48-V61 HydrophobicContact CG2-CB 4.36Å; V48-V61 HydrophobicContact CG2-CG1 3.93Å; V48-V61 HydrophobicContact CG2-CG2 3.51Å | ||
| 49 | I | 42.9 | Very low | 36.9 | Very low | 53 Ų | 53 | 82.3 Ų | 82.3 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | trans | -108.8 | 128.3 | 177.4 | -59.3 | 174.9 | 0 | 0 | 0 | 107.9 | L4 I6 L47 | L4-I49 HydrophobicContact CD1-CD1 3.8Å; L4-I49 HydrophobicContact CD2-CD1 3.18Å; L4-I49 HydrophobicContact CG-CD1 4.11Å; I6-I49 HydrophobicContact CD1-CG2 4.11Å; L47-I49 HydrophobicContact CD2-CD1 3.76Å; L47-I49 HydrophobicContact CD2-CG1 4.03Å; L47-I49 HydrophobicContact CG-CD1 4.48Å; L47-I49 HydrophobicContact CG-CG1 4.21Å | ||
| 50 | L | 44.2 | Very low | 36.9 | Very low | 17 Ų | 17 | 83.9 Ų | 83.9 | 9% | 0.089 | 50% | 0.495 | C | S | . | . | trans | -104.7 | 137.6 | -177.2 | -82.5 | 119.6 | 0 | 0 | 0 | 111.7 | L32 V48 A52 L54 F59 M74 | L32-L50 HydrophobicContact CD2-CD2 3.95Å; V48-L50 HydrophobicContact CG1-CD1 4.06Å; L50-A52 PolarHBondContact O-N 2.73Å; L50-L54 HydrophobicContact CD2-CD1 3.81Å; L50-F59 HydrophobicContact CD1-CB 3.95Å; L50-F59 HydrophobicContact CD1-CD2 3.92Å; L50-F59 HydrophobicContact CD1-CG 3.95Å; L50-F59 HydrophobicContact CD2-CB 4.39Å; L50-F59 HydrophobicContact CD2-CD1 3.96Å; L50-F59 HydrophobicContact CD2-CD2 2.98Å; L50-F59 HydrophobicContact CD2-CE1 3.96Å; L50-F59 HydrophobicContact CD2-CE2 2.95Å; L50-F59 HydrophobicContact CD2-CG 3.49Å; L50-F59 VanDerWaalsContact CD2-CG 3.49Å; L50-F59 HydrophobicContact CD2-CZ 3.45Å; L50-F59 VanDerWaalsContact CD2-CZ 3.45Å; L50-F59 HydrophobicContact CG-CD2 4.04Å; L50-F59 HydrophobicContact CG-CE2 4.34Å; L50-F59 HydrophobicContact CG-CG 4.29Å; L50-M74 HydrophobicContact CB-CG 4.4Å | ||
| 51 | P | 39.5 | Very low | 37.1 | Very low | 58 Ų | 58 | 80 Ų | 80 | 38% | 0.377 | 47% | 0.471 | S | S | . | . | trans | -65.1 | 128.5 | 179.7 | 24.1 | -30.8 | 0 | 0 | 0 | 110.7 | G53 L54 | P51-G53 PolarHBondContact O-N 3.44Å; P51-L54 HydrophobicContact CG-CD1 3.98Å; P51-L54 PolarHBondContact O-N 3.16Å | ||
| 52 | A | 38.7 | Very low | 36.9 | Very low | 86 Ų | 86 | 85.3 Ų | 85.3 | 71% | 0.711 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 119 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | L50 | L50-A52 PolarHBondContact O-N 2.73Š|
| 53 | G | 36.2 | Very low | 37.2 | Very low | 63 Ų | 63 | 80.4 Ų | 80.4 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131.5 | -13.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P51 K55 | P51-G53 PolarHBondContact O-N 3.44Å; G53-K55 VanDerWaalsContact C-N 3.32Å; G53-K55 PolarHBondContact O-N 2.82Å |
| 54 | L | 39.3 | Very low | 37.2 | Very low | 64 Ų | 64 | 81.4 Ų | 81.4 | 34% | 0.335 | 48% | 0.481 | S | S | . | . | trans | -76 | 84.9 | 165.5 | -79.1 | 158.3 | 0 | 0 | 0 | 109.4 | L50 P51 S56 K57 F59 | L50-L54 HydrophobicContact CD2-CD1 3.81Å; P51-L54 HydrophobicContact CG-CD1 3.98Å; P51-L54 PolarHBondContact O-N 3.16Å; L54-S56 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact O-N 3.14Å; L54-K57 HydrophobicContact CD2-CD 4.07Å; L54-F59 HydrophobicContact CD1-CE2 4.05Å; L54-F59 HydrophobicContact CD1-CZ 4.07Å | ||
| 55 | K | 36.5 | Very low | 37.3 | Very low | 189 Ų | 189 | 76.6 Ų | 76.6 | 82% | 0.822 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 118 | 165.4 | -70.3 | -171.8 | 177.8 | -175.5 | 0 | 108 | G53 K57 | G53-K55 VanDerWaalsContact C-N 3.32Å; G53-K55 PolarHBondContact O-N 2.82Å; K55-K57 PolarHBondContact O-N 2.79Å |
| 56 | S | 32.7 | Very low | 37 | Very low | 125 Ų | 125 | 83.4 Ų | 83.4 | 87% | 0.874 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 30.5 | 160.9 | -47 | 0 | 0 | 0 | 0 | 118.9 | L54 | L54-S56 PolarHBondContact O-N 3.35Å; L54-S56 VanDerWaalsContact O-N 3.14Å |
| 57 | K | 33.5 | Very low | 36.8 | Very low | 94 Ų | 94 | 85.5 Ų | 85.5 | 41% | 0.409 | 50% | 0.503 | S | S | . | . | trans | -109.5 | 110.3 | 170.5 | -67.7 | -168.7 | -177.7 | 177.5 | 0 | 111.3 | Y35 L54 K55 F59 | Y35-K57 PolarHBondContact OH-NZ 3.29Å; L54-K57 HydrophobicContact CD2-CD 4.07Å; K55-K57 PolarHBondContact O-N 2.79Å; K57-F59 HydrophobicContact CB-CD2 4.33Å; K57-F59 HydrophobicContact CB-CE2 3.61Å; K57-F59 HydrophobicContact CB-CZ 4.25Å; K57-F59 WeakPolarHBondContact O-CD2 3.27Å; K57-F59 WeakPolarHBondContact O-CE2 3.21Å | ||
| 58 | S | 35.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 82.9 Ų | 82.9 | 80% | 0.804 | 49% | 0.493 | S | S | * | . | trans | -63.8 | 129.1 | 164.7 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 59 | F | 35.4 | Very low | 36.3 | Very low | 47 Ų | 47 | 89.8 Ų | 89.8 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | trans | -105.7 | 119.8 | 171.1 | -76.7 | -95.4 | 0 | 0 | 0 | 108.9 | L32 L50 L54 K57 | L32-F59 HydrophobicContact CD2-CD1 3.77Å; L32-F59 HydrophobicContact CD2-CE1 3.08Å; L32-F59 HydrophobicContact CD2-CE2 4.46Å; L32-F59 HydrophobicContact CD2-CZ 3.47Å; L32-F59 VanDerWaalsContact CD2-CZ 3.47Å; L32-F59 HydrophobicContact CG-CE1 4.44Å; L50-F59 HydrophobicContact CD1-CB 3.95Å; L50-F59 HydrophobicContact CD1-CD2 3.92Å; L50-F59 HydrophobicContact CD1-CG 3.95Å; L50-F59 HydrophobicContact CD2-CB 4.39Å; L50-F59 HydrophobicContact CD2-CD1 3.96Å; L50-F59 HydrophobicContact CD2-CD2 2.98Å; L50-F59 HydrophobicContact CD2-CE1 3.96Å; L50-F59 HydrophobicContact CD2-CE2 2.95Å; L50-F59 HydrophobicContact CD2-CG 3.49Å; L50-F59 VanDerWaalsContact CD2-CG 3.49Å; L50-F59 HydrophobicContact CD2-CZ 3.45Å; L50-F59 VanDerWaalsContact CD2-CZ 3.45Å; L50-F59 HydrophobicContact CG-CD2 4.04Å; L50-F59 HydrophobicContact CG-CE2 4.34Å; L50-F59 HydrophobicContact CG-CG 4.29Å; L54-F59 HydrophobicContact CD1-CE2 4.05Å; L54-F59 HydrophobicContact CD1-CZ 4.07Å; K57-F59 HydrophobicContact CB-CD2 4.33Å; K57-F59 HydrophobicContact CB-CE2 3.61Å; K57-F59 HydrophobicContact CB-CZ 4.25Å; K57-F59 WeakPolarHBondContact O-CD2 3.27Å; K57-F59 WeakPolarHBondContact O-CE2 3.21Å | ||
| 60 | A | 33.3 | Very low | 36 | Very low | 93 Ų | 93 | 88.9 Ų | 88.9 | 77% | 0.769 | 51% | 0.514 | S | S | * | . | trans | -83.9 | 123 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 61 | V | 34.6 | Very low | 35.7 | Very low | 38 Ų | 38 | 89.6 Ų | 89.6 | 23% | 0.23 | 52% | 0.52 | C | S | . | . | trans | -100.8 | 110.9 | 168.7 | -168.4 | 0 | 0 | 0 | 0 | 107.4 | F46 V48 T63 | F46-V61 HydrophobicContact CD2-CB 4.14Å; F46-V61 HydrophobicContact CD2-CG1 3.34Å; F46-V61 HydrophobicContact CD2-CG2 4.49Å; F46-V61 HydrophobicContact CE2-CB 3.38Å; F46-V61 HydrophobicContact CE2-CG1 3.07Å; F46-V61 HydrophobicContact CE2-CG2 3.83Å; F46-V61 HydrophobicContact CG-CG1 4.28Å; F46-V61 HydrophobicContact CZ-CB 4.02Å; F46-V61 HydrophobicContact CZ-CG1 3.87Å; V48-V61 HydrophobicContact CB-CG2 3.97Å; V48-V61 HydrophobicContact CG1-CG2 4.48Å; V48-V61 HydrophobicContact CG2-CB 4.36Å; V48-V61 HydrophobicContact CG2-CG1 3.93Å; V48-V61 HydrophobicContact CG2-CG2 3.51Å; V61-T63 HydrophobicContact CG1-CG2 4.38Å; V61-T63 PolarHBondContact O-N 2.95Å | ||
| 62 | N | 32.7 | Very low | 35.8 | Very low | 142 Ų | 142 | 88.9 Ų | 88.9 | 76% | 0.759 | 51% | 0.512 | S | S | * | . | trans | -83.2 | 112.7 | 177.5 | -162.6 | 14.9 | 0 | 0 | 0 | 108.5 | ||||
| 63 | T | 33.6 | Very low | 35.7 | Very low | 16 Ų | 16 | 87.6 Ų | 87.6 | 10% | 0.098 | 50% | 0.495 | C | S | . | . | trans | -103.8 | 137.1 | 179.3 | 58.4 | 0 | 0 | 0 | 0 | 109.3 | F46 V61 F65 | F46-T63 HydrophobicContact CD1-CG2 3.38Å; F46-T63 HydrophobicContact CD2-CG2 4.45Å; F46-T63 HydrophobicContact CE1-CG2 2.87Å; F46-T63 HydrophobicContact CE2-CG2 4Å; F46-T63 HydrophobicContact CG-CG2 4.19Å; F46-T63 HydrophobicContact CZ-CG2 3.17Å; V61-T63 HydrophobicContact CG1-CG2 4.38Å; V61-T63 PolarHBondContact O-N 2.95Å; T63-F65 PolarHBondContact O-N 3.42Å; T63-F65 VanDerWaalsContact O-N 3.1Å; T63-F65 PolarHBondContact OG1-O 3.14Å | ||
| 64 | P | 33.5 | Very low | 35.6 | Very low | 88 Ų | 88 | 86.9 Ų | 86.9 | 57% | 0.571 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -67.4 | -7.1 | 170.5 | 30.8 | -34.3 | 0 | 0 | 0 | 112 | P41 K66 | P41-P64 HydrophobicContact CG-CG 3.44Å; P41-P64 VanDerWaalsContact CG-CG 3.44Å; P64-K66 PolarHBondContact O-N 3.06Å; P64-K66 VanDerWaalsContact O-N 3.13Å |
| 65 | F | 37 | Very low | 35.3 | Very low | 82 Ų | 82 | 88 Ų | 88 | 36% | 0.36 | 49% | 0.488 | S | S | . | . | trans | -74.2 | 98.8 | 165.6 | -59.6 | -76.1 | 0 | 0 | 0 | 108.9 | F43 K44 T63 S67 | F43-F65 WeakPolarHBondContact O-CE2 3Å; K44-F65 HydrophobicContact CB-CE1 4.45Å; K44-F65 HydrophobicContact CB-CZ 4.26Å; K44-F65 HydrophobicContact CG-CE1 3.96Å; K44-F65 HydrophobicContact CG-CZ 4.01Å; T63-F65 PolarHBondContact O-N 3.42Å; T63-F65 VanDerWaalsContact O-N 3.1Å; T63-F65 PolarHBondContact OG1-O 3.14Å; F65-S67 PolarHBondContact O-N 3.31Å | ||
| 66 | K | 35.2 | Very low | 35.4 | Very low | 205 Ų | 205 | 82.9 Ų | 82.9 | 89% | 0.891 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 2.7 | 177.3 | -104.3 | -179 | 176.3 | -179.3 | 0 | 116.1 | P64 | P64-K66 PolarHBondContact O-N 3.06Å; P64-K66 VanDerWaalsContact O-N 3.13Å |
| 67 | S | 36.4 | Very low | 35.5 | Very low | 99 Ų | 99 | 87 Ų | 87 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.1 | 1.3 | -161.1 | -50.1 | 0 | 0 | 0 | 0 | 117 | F65 | F65-S67 PolarHBondContact O-N 3.31Š|
| 68 | C | 36.8 | Very low | 35.5 | Very low | 42 Ų | 42 | 87.3 Ų | 87.3 | 28% | 0.284 | 48% | 0.475 | S | S | . | . | trans | -152.7 | 123.9 | 175.7 | -94.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | W | 35.3 | Very low | 35.5 | Very low | 169 Ų | 169 | 88.1 Ų | 88.1 | 64% | 0.64 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.5 | 171.8 | -65.7 | 56 | 0 | 0 | 0 | 107.8 | L84 | W69-L84 HydrophobicContact CB-CB 4.44Å; W69-L84 PolarHBondContact O-N 3.32Å; W69-L84 VanDerWaalsContact O-N 3.13Å |
| 70 | C | 36.8 | Very low | 35.4 | Very low | 34 Ų | 34 | 87.5 Ų | 87.5 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.5 | 171.4 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | H83 | C70-H83 PolarHBondContact SG-CE1 3.13Å; C70-H83 PolarHBondContact SG-NE2 3.1Å |
| 71 | V | 36.8 | Very low | 35.6 | Very low | 33 Ų | 33 | 86.5 Ų | 86.5 | 20% | 0.2 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.3 | 173.9 | 179 | 0 | 0 | 0 | 0 | 107 | V73 Y82 L84 | V71-V73 HydrophobicContact CG1-CG2 3.96Å; V71-Y82 PolarHBondContact N-O 2.79Å; V71-Y82 CarbonylContact O-C 3.51Å; V71-Y82 WeakPolarHBondContact O-CA 3.43Å; V71-Y82 VanDerWaalsContact O-CB 3.3Å; V71-Y82 WeakPolarHBondContact O-CB 3.04Å; V71-Y82 PolarHBondContact O-N 3.29Å; V71-L84 HydrophobicContact CB-CD1 4.14Å; V71-L84 HydrophobicContact CG2-CD1 3.56Å |
| 72 | I | 42.2 | Very low | 35.7 | Very low | 42 Ų | 42 | 90 Ų | 90 | 22% | 0.215 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.7 | 173.9 | -60.1 | 171.4 | 0 | 0 | 0 | 106.7 | L47 M74 V81 | L47-I72 HydrophobicContact CD1-CD1 4.26Å; I72-M74 HydrophobicContact CG2-CE 4.36Å; I72-V81 HydrophobicContact CG1-CG1 4.48Å |
| 73 | V | 36.5 | Very low | 36 | Very low | 59 Ų | 59 | 89 Ų | 89 | 36% | 0.358 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | V71 C80 Y82 | V71-V73 HydrophobicContact CG1-CG2 3.96Å; V73-C80 PolarHBondContact N-O 3.38Å; V73-C80 VanDerWaalsContact N-O 3.11Å; V73-C80 PolarHBondContact O-N 3.12Å; V73-Y82 HydrophobicContact CB-CD2 4.16Å; V73-Y82 HydrophobicContact CB-CE2 4.07Å; V73-Y82 HydrophobicContact CG2-CD2 3.97Å; V73-Y82 HydrophobicContact CG2-CE2 4.19Å |
| 74 | M | 35.3 | Very low | 36 | Very low | 48 Ų | 48 | 93.1 Ų | 93.1 | 24% | 0.236 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 110.5 | 169.9 | -67.3 | -92 | 93.2 | 0 | 0 | 108.6 | L50 I72 F79 | L50-M74 HydrophobicContact CB-CG 4.4Å; I72-M74 HydrophobicContact CG2-CE 4.36Å; M74-F79 VanDerWaalsContact CE-CA 3.41Å; M74-F79 HydrophobicContact CE-CB 3.72Å; M74-F79 HydrophobicContact CE-CD1 3Å; M74-F79 HydrophobicContact CE-CD2 4.3Å; M74-F79 HydrophobicContact CE-CE1 3.53Å; M74-F79 HydrophobicContact CE-CG 3.42Å; M74-F79 VanDerWaalsContact CE-CG 3.42Å; M74-F79 HydrophobicContact CE-CZ 4.37Å; M74-F79 HydrophobicContact SD-CD1 3.96Å; M74-F79 HydrophobicContact SD-CE1 3.84Å; M74-F79 HydrophobicContact SD-CZ 4.46Å |
| 75 | C | 31.8 | Very low | 36.1 | Very low | 89 Ų | 89 | 94.1 Ų | 94.1 | 60% | 0.601 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 147.4 | 157.7 | -80.4 | 0 | 0 | 0 | 0 | 107.8 | Y77 F78 | C75-Y77 PolarHBondContact O-N 3.16Å; C75-F78 PolarHBondContact O-N 2.83Å |
| 76 | S | 38.4 | Very low | 35.8 | Very low | 81 Ų | 81 | 98.9 Ų | 98.9 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -3.4 | -165.4 | -54.3 | 0 | 0 | 0 | 0 | 118.3 | ||
| 77 | Y | 35.4 | Very low | 35.6 | Very low | 210 Ų | 210 | 97.4 Ų | 97.4 | 82% | 0.824 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.5 | -3.4 | -178.5 | -63.3 | -80.5 | 0 | 0 | 0 | 114.4 | C75 | C75-Y77 PolarHBondContact O-N 3.16Š|
| 78 | F | 33 | Very low | 35.2 | Very low | 102 Ų | 102 | 100.3 Ų | 100.3 | 45% | 0.447 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 140.4 | -172.1 | -73.9 | -82.8 | 0 | 0 | 0 | 113.8 | C75 L100 | C75-F78 PolarHBondContact O-N 2.83Å; F78-L100 HydrophobicContact CD1-CB 4.42Å; F78-L100 HydrophobicContact CE1-CB 3.91Å; F78-L100 HydrophobicContact CE1-CD2 3.79Å; F78-L100 HydrophobicContact CZ-CB 4.32Å; F78-L100 HydrophobicContact CZ-CD2 3.75Å |
| 79 | F | 36.3 | Very low | 34.7 | Very low | 131 Ų | 131 | 109.3 Ų | 109.3 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 116.8 | 168.4 | -64.9 | -100.4 | 0 | 0 | 0 | 109.6 | M74 | M74-F79 VanDerWaalsContact CE-CA 3.41Å; M74-F79 HydrophobicContact CE-CB 3.72Å; M74-F79 HydrophobicContact CE-CD1 3Å; M74-F79 HydrophobicContact CE-CD2 4.3Å; M74-F79 HydrophobicContact CE-CE1 3.53Å; M74-F79 HydrophobicContact CE-CG 3.42Å; M74-F79 VanDerWaalsContact CE-CG 3.42Å; M74-F79 HydrophobicContact CE-CZ 4.37Å; M74-F79 HydrophobicContact SD-CD1 3.96Å; M74-F79 HydrophobicContact SD-CE1 3.84Å; M74-F79 HydrophobicContact SD-CZ 4.46Å |
| 80 | C | 32.1 | Very low | 34.4 | Very low | 34 Ų | 34 | 105.4 Ų | 105.4 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 110.8 | 170.7 | -143.4 | 0 | 0 | 0 | 0 | 109 | V73 Y82 | V73-C80 PolarHBondContact N-O 3.38Å; V73-C80 VanDerWaalsContact N-O 3.11Å; V73-C80 PolarHBondContact O-N 3.12Å; C80-Y82 HydrophobicContact CB-CD2 4.27Å; C80-Y82 HydrophobicContact CB-CE2 3.63Å; C80-Y82 VanDerWaalsContact SG-CE2 3.5Å; C80-Y82 VanDerWaalsContact SG-CZ 3.55Å |
| 81 | V | 38.7 | Very low | 34.1 | Very low | 72 Ų | 72 | 107.5 Ų | 107.5 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.8 | 175 | -180 | 0 | 0 | 0 | 0 | 107.2 | I72 | I72-V81 HydrophobicContact CG1-CG1 4.48Å |
| 82 | Y | 35.4 | Very low | 33.7 | Very low | 113 Ų | 113 | 110.2 Ų | 110.2 | 44% | 0.443 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.2 | 172.6 | -67.2 | -89.3 | 0 | 0 | 0 | 109.4 | V71 V73 C80 | V71-Y82 PolarHBondContact N-O 2.79Å; V71-Y82 CarbonylContact O-C 3.51Å; V71-Y82 WeakPolarHBondContact O-CA 3.43Å; V71-Y82 VanDerWaalsContact O-CB 3.3Å; V71-Y82 WeakPolarHBondContact O-CB 3.04Å; V71-Y82 PolarHBondContact O-N 3.29Å; V73-Y82 HydrophobicContact CB-CD2 4.16Å; V73-Y82 HydrophobicContact CB-CE2 4.07Å; V73-Y82 HydrophobicContact CG2-CD2 3.97Å; V73-Y82 HydrophobicContact CG2-CE2 4.19Å; C80-Y82 HydrophobicContact CB-CD2 4.27Å; C80-Y82 HydrophobicContact CB-CE2 3.63Å; C80-Y82 VanDerWaalsContact SG-CE2 3.5Å; C80-Y82 VanDerWaalsContact SG-CZ 3.55Å |
| 83 | H | 39.1 | Very low | 33.3 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83 | 110.8 | 164.6 | -111.9 | -94.7 | 0 | 0 | 0 | 108.3 | C70 Q85 | C70-H83 PolarHBondContact SG-CE1 3.13Å; C70-H83 PolarHBondContact SG-NE2 3.1Å; H83-Q85 PolarHBondContact O-N 3.13Å |
| 84 | L | 34.8 | Very low | 33 | Very low | 101 Ų | 101 | 115.1 Ų | 115.1 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 87.7 | 172 | -103.2 | 146.5 | 0 | 0 | 0 | 107.8 | W69 V71 K86 | W69-L84 HydrophobicContact CB-CB 4.44Å; W69-L84 PolarHBondContact O-N 3.32Å; W69-L84 VanDerWaalsContact O-N 3.13Å; V71-L84 HydrophobicContact CB-CD1 4.14Å; V71-L84 HydrophobicContact CG2-CD1 3.56Å; L84-K86 PolarHBondContact O-N 3.08Å; L84-K86 VanDerWaalsContact O-N 3.13Å |
| 85 | Q | 34.5 | Very low | 32.7 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 51% | 0.514 | 63% | 0.633 | S | S | . | * | trans | -80.8 | 90.8 | 177.9 | -150.8 | -154.9 | -0.9 | 0 | 0 | 110.1 | H83 Q87 H88 Y89 | H83-Q85 PolarHBondContact O-N 3.13Å; Q85-Q87 PolarHBondContact O-N 2.81Å; Q85-H88 PolarHBondContact NE2-O 3.31Å; Q85-Y89 VanDerWaalsContact NE2-CA 3.34Å | ||
| 86 | K | 32.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 79% | 0.791 | 65% | 0.645 | S | S | * | * | trans | -82.6 | 109.2 | 156.3 | -88.7 | -167.6 | 176 | -176.3 | 0 | 107.9 | L84 | L84-K86 PolarHBondContact O-N 3.08Å; L84-K86 VanDerWaalsContact O-N 3.13Å | ||
| 87 | Q | 30.2 | Very low | 32.2 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 48.7 | 87.1 | 157.2 | -64.2 | 179 | -19.2 | 0 | 0 | 114.6 | Q85 | Q85-Q87 PolarHBondContact O-N 2.81Š|
| 88 | H | 28.7 | Very low | 31.9 | Very low | 160 Ų | 160 | 125.7 Ų | 125.7 | 74% | 0.741 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 149.7 | 119.2 | 144.4 | -84 | -137.2 | 0 | 0 | 0 | 109.2 | Q85 C90 | Q85-H88 PolarHBondContact NE2-O 3.31Å; H88-C90 PolarHBondContact O-N 3.29Å; H88-C90 VanDerWaalsContact O-N 3.12Å |
| 89 | Y | 26.8 | Very low | 31.6 | Very low | 230 Ų | 230 | 127.7 Ų | 127.7 | 90% | 0.902 | 66% | 0.655 | S | S | * | * | trans | -39.4 | 101.4 | -177.8 | -64 | -97.2 | 0 | 0 | 0 | 114.9 | Q85 | Q85-Y89 VanDerWaalsContact NE2-CA 3.34Š| ||
| 90 | C | 28.9 | Very low | 31.1 | Very low | 88 Ų | 88 | 127 Ų | 127 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | trans | -113.7 | 117.1 | 154.2 | -94.7 | 0 | 0 | 0 | 0 | 107 | H88 | H88-C90 PolarHBondContact O-N 3.29Å; H88-C90 VanDerWaalsContact O-N 3.12Å | ||
| 91 | G | 28.7 | Very low | 30.9 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | -59.4 | 143.3 | -162.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 92 | A | 28.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 139 Ų | 139 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | 53.1 | 104.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | S94 | A92-S94 PolarHBondContact O-N 3.35Å; A92-S94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | P | 33.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | trans | -64.1 | 114.8 | 155.9 | 28.1 | -30.3 | 0 | 0 | 0 | 108 | L95 | P93-L95 PolarHBondContact O-N 3.33Š| ||
| 94 | S | 30.4 | Very low | 29.7 | Very low | 94 Ų | 94 | 141.4 Ų | 141.4 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | trans | -62.6 | 133.9 | 165.4 | 50.8 | 0 | 0 | 0 | 0 | 108.2 | A92 Y96 | A92-S94 PolarHBondContact O-N 3.35Å; A92-S94 VanDerWaalsContact O-N 3.16Å; S94-Y96 PolarHBondContact O-N 2.65Å | ||
| 95 | L | 29.1 | Very low | 29.4 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -55.2 | 8.6 | -168.8 | -116.7 | 92.8 | 0 | 0 | 0 | 117.3 | P93 | P93-L95 PolarHBondContact O-N 3.33Š|
| 96 | Y | 30.1 | Very low | 29.1 | Very low | 217 Ų | 217 | 145.6 Ų | 145.6 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -89.8 | -4.1 | -172.7 | -90.1 | -86.5 | 0 | 0 | 0 | 115.2 | S94 | S94-Y96 PolarHBondContact O-N 2.65Š|
| 97 | S | 30.8 | Very low | 28.9 | Very low | 69 Ų | 69 | 143.3 Ų | 143.3 | 48% | 0.483 | 77% | 0.773 | S | S | . | * | G | 310 helix | trans | -97.9 | 5.9 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 98 | Y | 28.9 | Very low | 28.8 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -111.9 | 4.1 | -175.5 | -83 | -80.7 | 0 | 0 | 0 | 115.7 | ||
| 99 | L | 25.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -111.1 | 124.4 | 178.8 | -85.9 | 121.3 | 0 | 0 | 0 | 111 | ||
| 100 | L | 25.9 | Very low | 29 | Very low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | trans | 84.3 | 66.9 | -179.7 | -71.7 | 89.9 | 0 | 0 | 0 | 116.5 | F78 | F78-L100 HydrophobicContact CD1-CB 4.42Å; F78-L100 HydrophobicContact CE1-CB 3.91Å; F78-L100 HydrophobicContact CE1-CD2 3.79Å; F78-L100 HydrophobicContact CZ-CB 4.32Å; F78-L100 HydrophobicContact CZ-CD2 3.75Å | ||
| 101 | C | 27.6 | Very low | 29 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -115.2 | 76.4 | 147.8 | -148.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 102 | L | 28.6 | Very low | 29 | Very low | 237 Ų | 237 | 142.1 Ų | 142.1 | 100% | 1.241 | 77% | 0.773 | S | S | * | * | trans | -130.8 | 0 | 163.5 | -89.9 | 167.4 | 0 | 0 | 0 | 107.1 |
Retrieved 102 of 102 residues in 86.4 ms
(Link to these results)