| 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 | S | 64.7 | Low | 67.9 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 82% | 0.818 | 48% | 0.48 | S | S | * | . | 0 | 136.9 | 0 | 54.7 | 0 | 0 | 0 | 0 | 108 | M47 N48 | S1-M47 WeakPolarHBondContact CA-O 3.49Å; S1-N48 WeakPolarHBondContact CA-OD1 3.45Å; S1-N48 WeakPolarHBondContact CB-OD1 2.99Å | |||
| 2 | L | 65.9 | Low | 68.1 | Low | 72 Ų | 72 | 81.7 Ų | 81.7 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130.5 | 174.7 | -175.5 | 77.4 | 0 | 0 | 0 | 108.3 | I4 M47 P52 | L2-I4 HydrophobicContact CD2-CD1 3.84Å; L2-I4 HydrophobicContact CD2-CG1 3.6Å; L2-I4 HydrophobicContact CG-CG1 4.04Å; L2-M47 PolarHBondContact N-O 3.41Å; L2-M47 PolarHBondContact O-N 2.99Å; L2-P52 HydrophobicContact CD2-CB 3.54Å |
| 3 | T | 65.5 | Low | 68.3 | Low | 71 Ų | 71 | 81.4 Ų | 81.4 | 44% | 0.436 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120.8 | 169.9 | -53.1 | 0 | 0 | 0 | 0 | 108.2 | I44 F45 | T3-I44 HydrophobicContact CG2-CG2 3.78Å; T3-F45 CarbonylContact C-O 3.53Å; T3-F45 WeakPolarHBondContact CA-O 3.31Å |
| 4 | I | 65.2 | Low | 68.4 | Low | 22 Ų | 22 | 76.9 Ų | 76.9 | 11% | 0.113 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.7 | 177.1 | -57.2 | 161.3 | 0 | 0 | 0 | 107.4 | L2 V6 F45 M47 L56 | L2-I4 HydrophobicContact CD2-CD1 3.84Å; L2-I4 HydrophobicContact CD2-CG1 3.6Å; L2-I4 HydrophobicContact CG-CG1 4.04Å; I4-V6 HydrophobicContact CG2-CG2 3.93Å; I4-F45 HydrophobicContact CB-CD2 4.48Å; I4-F45 PolarHBondContact N-O 3.47Å; I4-F45 PolarHBondContact O-N 3.47Å; I4-M47 HydrophobicContact CD1-SD 3.84Å; I4-L56 HydrophobicContact CD1-CB 4.39Å; I4-L56 HydrophobicContact CD1-CD1 3.55Å; I4-L56 HydrophobicContact CD1-CG 3.92Å; I4-L56 HydrophobicContact CG1-CD1 4.04Å; I4-L56 HydrophobicContact CG2-CD1 4.15Å |
| 5 | I | 73.3 | Confident | 68.3 | Low | 111 Ų | 111 | 74.9 Ų | 74.9 | 57% | 0.569 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.8 | 175.8 | -55.3 | 176.1 | 0 | 0 | 0 | 106.5 | T42 I44 | I5-T42 HydrophobicContact CG2-CG2 3.71Å; I5-I44 HydrophobicContact CG1-CG1 4.38Å; I5-I44 HydrophobicContact CG1-CG2 4.42Å; I5-I44 HydrophobicContact CG2-CG1 4.41Å |
| 6 | V | 71.2 | Confident | 68 | Low | 60 Ų | 60 | 75.6 Ų | 75.6 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.8 | 175.5 | -177 | 0 | 0 | 0 | 0 | 107.9 | I4 T42 T43 F45 | I4-V6 HydrophobicContact CG2-CG2 3.93Å; V6-T42 CarbonylContact O-C 3.54Å; V6-T42 WeakPolarHBondContact O-CA 3.49Å; V6-T43 PolarHBondContact N-O 3.39Å; V6-T43 PolarHBondContact O-N 3.47Å; V6-F45 HydrophobicContact CB-CE2 4.05Å; V6-F45 HydrophobicContact CG2-CD2 4.2Å; V6-F45 HydrophobicContact CG2-CE2 3.73Å |
| 7 | S | 72.5 | Confident | 67.5 | Low | 86 Ų | 86 | 75.9 Ų | 75.9 | 60% | 0.601 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.2 | 174.8 | -58 | 0 | 0 | 0 | 0 | 109.3 | N41 | S7-N41 CarbonylContact C-O 3.59Å; S7-N41 VanDerWaalsContact CA-O 3.32Å; S7-N41 WeakPolarHBondContact CA-O 3.4Å |
| 8 | S | 75.5 | Confident | 66.9 | Low | 57 Ų | 57 | 79.9 Ų | 79.9 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.8 | 173.6 | 64 | 0 | 0 | 0 | 0 | 111 | G40 N41 | S8-G40 CarbonylContact O-C 3.59Å; S8-G40 WeakPolarHBondContact O-CA 3.49Å; S8-N41 PolarHBondContact N-O 3.01Å; S8-N41 PolarHBondContact O-N 3.25Å |
| 9 | V | 65.4 | Low | 66.2 | Low | 98 Ų | 98 | 81.2 Ų | 81.2 | 59% | 0.594 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.5 | 172.6 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | C12 I38 | V9-C12 HydrophobicContact CG1-CB 4.38Å; V9-I38 HydrophobicContact CG1-CG2 3.87Å; V9-I38 HydrophobicContact CG2-CG2 4.13Å |
| 10 | L | 66.6 | Low | 65.5 | Low | 109 Ų | 109 | 80.3 Ų | 80.3 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -37.1 | 178.2 | -62 | -177.7 | 0 | 0 | 0 | 112.2 | V39 N41 | L10-V39 WeakPolarHBondContact CA-O 3.36Å; L10-V39 HydrophobicContact CB-CG1 4.43Å; L10-V39 WeakPolarHBondContact CB-O 3.23Å; L10-V39 HydrophobicContact CD1-CG1 4.5Å; L10-V39 PolarHBondContact N-O 3.36Å; L10-N41 HydrophobicContact CD1-CB 3.86Å; L10-N41 HydrophobicContact CD2-CB 4.11Å; L10-N41 HydrophobicContact CG-CB 3.9Å |
| 11 | R | 61.6 | Low | 64.8 | Low | 115 Ų | 115 | 81.7 Ų | 81.7 | 43% | 0.434 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 137.5 | -179.8 | -174.9 | 176.8 | 176.7 | 171.1 | -0.4 | 109.7 | I38 V39 | R11-I38 CarbonylContact O-C 3.53Å; R11-I38 WeakPolarHBondContact O-CA 3.46Å; R11-V39 HydrophobicContact CB-CB 4.06Å; R11-V39 HydrophobicContact CB-CG2 4.26Å; R11-V39 PolarHBondContact N-O 2.73Å; R11-V39 VanDerWaalsContact N-O 3.09Å; R11-V39 PolarHBondContact O-N 2.94Å |
| 12 | C | 69.3 | Low | 64 | Low | 62 Ų | 62 | 83.6 Ų | 83.6 | 42% | 0.419 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127 | 166.3 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | V9 L37 | V9-C12 HydrophobicContact CG1-CB 4.38Å; C12-L37 CarbonylContact C-O 3.45Å; C12-L37 WeakPolarHBondContact CA-O 3.11Å |
| 13 | Q | 71.4 | Confident | 63.3 | Low | 78 Ų | 78 | 84.3 Ų | 84.3 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.5 | 175.4 | -179.5 | 171.1 | -16.6 | 0 | 0 | 108.1 | L36 L37 | Q13-L36 CarbonylContact O-C 3.51Å; Q13-L36 WeakPolarHBondContact O-CA 3.28Å; Q13-L37 HydrophobicContact CB-CB 4.37Å; Q13-L37 PolarHBondContact N-O 2.75Å; Q13-L37 PolarHBondContact O-N 2.88Å |
| 14 | A | 69.9 | Low | 62.2 | Low | 18 Ų | 18 | 83 Ų | 83 | 15% | 0.149 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | E35 L36 Y86 | A14-E35 CarbonylContact C-O 3.59Å; A14-E35 VanDerWaalsContact CA-O 3.25Å; A14-E35 WeakPolarHBondContact CA-O 3.5Å; A14-L36 HydrophobicContact CB-CD1 3.62Å; A14-Y86 VanDerWaalsContact CB-OH 3.29Å; A14-Y86 WeakPolarHBondContact CB-OH 3.41Å; A14-Y86 PolarHBondContact N-OH 3.35Å; A14-Y86 PolarHBondContact O-OH 3.29Å |
| 15 | S | 66.9 | Low | 61.2 | Low | 48 Ų | 48 | 87.9 Ų | 87.9 | 34% | 0.336 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.3 | 170.9 | 42.7 | 0 | 0 | 0 | 0 | 110.6 | L17 E35 | S15-L17 PolarHBondContact O-N 3.42Å; S15-E35 PolarHBondContact N-O 2.69Å; S15-E35 PolarHBondContact O-N 3.33Å |
| 16 | E | 63.5 | Low | 59.9 | Low | 86 Ų | 86 | 88.5 Ų | 88.5 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 108.4 | 167.7 | -74.6 | -179.5 | 178.5 | 0 | 0 | 108 | H18 F34 | E16-H18 PolarHBondContact O-N 3.16Å; E16-F34 HydrophobicContact CG-CD1 3.87Å; E16-F34 HydrophobicContact CG-CE1 3.28Å; E16-F34 HydrophobicContact CG-CZ 3.74Å; E16-F34 WeakPolarHBondContact OE1-CE1 3.37Å; E16-F34 WeakPolarHBondContact OE1-CZ 3.25Å |
| 17 | L | 58.5 | Low | 58.7 | Low | 80 Ų | 80 | 96.8 Ų | 96.8 | 42% | 0.419 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 111 | 168.6 | -76.3 | 167.9 | 0 | 0 | 0 | 108.2 | S15 V19 A33 E35 | S15-L17 PolarHBondContact O-N 3.42Å; L17-V19 PolarHBondContact O-N 2.83Å; L17-A33 WeakPolarHBondContact CA-O 3.33Å; L17-A33 HydrophobicContact CB-CB 3.98Å; L17-A33 WeakPolarHBondContact CB-O 3.49Å; L17-A33 HydrophobicContact CD1-CB 4.48Å; L17-A33 PolarHBondContact N-O 2.83Å; L17-A33 PolarHBondContact O-N 3.39Å; L17-A33 VanDerWaalsContact O-N 3.16Å; L17-E35 HydrophobicContact CD1-CB 3.81Å; L17-E35 HydrophobicContact CD1-CG 4.43Å; L17-E35 HydrophobicContact CG-CB 4.23Å |
| 18 | H | 57.6 | Low | 57.5 | Low | 148 Ų | 148 | 96 Ų | 96 | 69% | 0.685 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.5 | 101.7 | 166.6 | -77.4 | -90.2 | 0 | 0 | 0 | 108.7 | E16 G20 | E16-H18 PolarHBondContact O-N 3.16Å; H18-G20 PolarHBondContact O-N 2.82Å |
| 19 | V | 53.1 | Low | 56.4 | Low | 105 Ų | 105 | 103.2 Ų | 103.2 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | -76.4 | 92.8 | 175.2 | -167.6 | 0 | 0 | 0 | 0 | 108.3 | L17 G31 A33 | L17-V19 PolarHBondContact O-N 2.83Å; V19-G31 PolarHBondContact N-O 2.81Å; V19-A33 HydrophobicContact CG2-CB 3.99Å | ||
| 20 | G | 52.5 | Low | 55.5 | Low | 62 Ų | 62 | 104.3 Ų | 104.3 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | trans | -97.3 | 139.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H18 | H18-G20 PolarHBondContact O-N 2.82Š| ||
| 21 | C | 51.1 | Low | 54.7 | Low | 111 Ų | 111 | 100 Ų | 100 | 75% | 0.75 | 59% | 0.593 | S | S | * | * | trans | -82.3 | 145.4 | 174.2 | -149.3 | 0 | 0 | 0 | 0 | 110.4 | G23 | C21-G23 PolarHBondContact O-N 2.98Š| ||
| 22 | V | 47.4 | Very low | 54.1 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 95% | 0.952 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | 106 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | ||
| 23 | G | 51.9 | Low | 53.6 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 89% | 0.887 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.3 | -7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | C21 | C21-G23 PolarHBondContact O-N 2.98Š|
| 24 | G | 42.4 | Very low | 53.1 | Low | 43 Ų | 43 | 99.2 Ų | 99.2 | 44% | 0.443 | 60% | 0.595 | S | S | . | * | trans | 157.7 | 144.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V26 | G24-V26 VanDerWaalsContact C-N 3.29Å; G24-V26 PolarHBondContact O-N 3.38Å | ||
| 25 | C | 44.6 | Very low | 52.5 | Low | 125 Ų | 125 | 103.6 Ų | 103.6 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | -67.2 | 85 | 174.2 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | Y27 | C25-Y27 PolarHBondContact O-N 3.05Š| ||
| 26 | V | 44.4 | Very low | 52.7 | Low | 125 Ų | 125 | 105.3 Ų | 105.3 | 76% | 0.758 | 62% | 0.617 | S | S | * | * | trans | -75.1 | 110.5 | 162.6 | -174.4 | 0 | 0 | 0 | 0 | 106.6 | G24 S28 | G24-V26 VanDerWaalsContact C-N 3.29Å; G24-V26 PolarHBondContact O-N 3.38Å; V26-S28 PolarHBondContact O-N 3.32Å | ||
| 27 | Y | 45.9 | Very low | 53 | Low | 233 Ų | 233 | 105.9 Ų | 105.9 | 91% | 0.914 | 62% | 0.622 | S | S | * | * | trans | -62.8 | 80.1 | 168.4 | -93.7 | -88.9 | 0 | 0 | 0 | 109.2 | C25 | C25-Y27 PolarHBondContact O-N 3.05Š| ||
| 28 | S | 47.7 | Very low | 53.9 | Low | 70 Ų | 70 | 106.5 Ų | 106.5 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | trans | -91.8 | 117.8 | 174 | 165.7 | 0 | 0 | 0 | 0 | 108.4 | V26 C30 | V26-S28 PolarHBondContact O-N 3.32Å; S28-C30 PolarHBondContact O-N 2.87Å; S28-C30 WeakPolarHBondContact OG-CB 3.43Å; S28-C30 PolarHBondContact OG-N 3.4Å; S28-C30 VanDerWaalsContact OG-N 3.15Å | ||
| 29 | K | 51.9 | Low | 54.6 | Low | 208 Ų | 208 | 102.4 Ų | 102.4 | 90% | 0.904 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -6.3 | 169.1 | -78.1 | -177.8 | 177.2 | 176 | 0 | 112.9 | ||
| 30 | C | 47.2 | Very low | 55.8 | Low | 122 Ų | 122 | 99.9 Ų | 99.9 | 82% | 0.824 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 5.3 | -168.8 | -63.3 | 0 | 0 | 0 | 0 | 114.8 | S28 | S28-C30 PolarHBondContact O-N 2.87Å; S28-C30 WeakPolarHBondContact OG-CB 3.43Å; S28-C30 PolarHBondContact OG-N 3.4Å; S28-C30 VanDerWaalsContact OG-N 3.15Å |
| 31 | G | 49.4 | Very low | 57 | Low | 19 Ų | 19 | 100.3 Ų | 100.3 | 20% | 0.196 | 59% | 0.593 | C | S | . | * | trans | -121.4 | 30.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V19 A33 | V19-G31 PolarHBondContact N-O 2.81Å; G31-A33 PolarHBondContact O-N 2.8Å | ||
| 32 | L | 50.6 | Low | 58.2 | Low | 82 Ų | 82 | 99 Ų | 99 | 43% | 0.429 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.6 | 104.2 | 172.2 | -67.6 | 172.8 | 0 | 0 | 0 | 109 | ||
| 33 | A | 57.8 | Low | 59.3 | Low | 38 Ų | 38 | 94 Ų | 94 | 31% | 0.314 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L17 V19 G31 | L17-A33 WeakPolarHBondContact CA-O 3.33Å; L17-A33 HydrophobicContact CB-CB 3.98Å; L17-A33 WeakPolarHBondContact CB-O 3.49Å; L17-A33 HydrophobicContact CD1-CB 4.48Å; L17-A33 PolarHBondContact N-O 2.83Å; L17-A33 PolarHBondContact O-N 3.39Å; L17-A33 VanDerWaalsContact O-N 3.16Å; V19-A33 HydrophobicContact CG2-CB 3.99Å; G31-A33 PolarHBondContact O-N 2.8Å |
| 34 | F | 59.9 | Low | 60.5 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 52% | 0.518 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.5 | 173.4 | -76.6 | -88.4 | 0 | 0 | 0 | 108.3 | E16 | E16-F34 HydrophobicContact CG-CD1 3.87Å; E16-F34 HydrophobicContact CG-CE1 3.28Å; E16-F34 HydrophobicContact CG-CZ 3.74Å; E16-F34 WeakPolarHBondContact OE1-CE1 3.37Å; E16-F34 WeakPolarHBondContact OE1-CZ 3.25Å |
| 35 | E | 58 | Low | 61.8 | Low | 109 Ų | 109 | 96.1 Ų | 96.1 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126.8 | 168.5 | -161.4 | 173.5 | -173.5 | 0 | 0 | 108.3 | A14 S15 L17 | A14-E35 CarbonylContact C-O 3.59Å; A14-E35 VanDerWaalsContact CA-O 3.25Å; A14-E35 WeakPolarHBondContact CA-O 3.5Å; S15-E35 PolarHBondContact N-O 2.69Å; S15-E35 PolarHBondContact O-N 3.33Å; L17-E35 HydrophobicContact CD1-CB 3.81Å; L17-E35 HydrophobicContact CD1-CG 4.43Å; L17-E35 HydrophobicContact CG-CB 4.23Å |
| 36 | L | 70.8 | Confident | 62.7 | Low | 84 Ų | 84 | 99.9 Ų | 99.9 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 107.6 | -178.8 | -155 | 98 | 0 | 0 | 0 | 108.7 | Q13 A14 I38 | Q13-L36 CarbonylContact O-C 3.51Å; Q13-L36 WeakPolarHBondContact O-CA 3.28Å; A14-L36 HydrophobicContact CB-CD1 3.62Å; L36-I38 HydrophobicContact CD2-CD1 3.6Å; L36-I38 HydrophobicContact CD2-CG1 3.66Å; L36-I38 HydrophobicContact CG-CG1 4.36Å |
| 37 | L | 69.6 | Low | 63.6 | Low | 98 Ų | 98 | 95.9 Ų | 95.9 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 109.2 | 172.8 | -178.6 | 70.6 | 0 | 0 | 0 | 109 | C12 Q13 V39 | C12-L37 CarbonylContact C-O 3.45Å; C12-L37 WeakPolarHBondContact CA-O 3.11Å; Q13-L37 HydrophobicContact CB-CB 4.37Å; Q13-L37 PolarHBondContact N-O 2.75Å; Q13-L37 PolarHBondContact O-N 2.88Å; L37-V39 HydrophobicContact CG-CG2 4.44Å |
| 38 | I | 77.4 | Confident | 64.5 | Low | 94 Ų | 94 | 92 Ų | 92 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.6 | 171.9 | -55.9 | 178.8 | 0 | 0 | 0 | 108.4 | V9 R11 L36 | V9-I38 HydrophobicContact CG1-CG2 3.87Å; V9-I38 HydrophobicContact CG2-CG2 4.13Å; R11-I38 CarbonylContact O-C 3.53Å; R11-I38 WeakPolarHBondContact O-CA 3.46Å; L36-I38 HydrophobicContact CD2-CD1 3.6Å; L36-I38 HydrophobicContact CD2-CG1 3.66Å; L36-I38 HydrophobicContact CG-CG1 4.36Å |
| 39 | V | 72.1 | Confident | 65 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 38% | 0.376 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.6 | 167.8 | -175.2 | 0 | 0 | 0 | 0 | 107.3 | L10 R11 L37 | L10-V39 WeakPolarHBondContact CA-O 3.36Å; L10-V39 HydrophobicContact CB-CG1 4.43Å; L10-V39 WeakPolarHBondContact CB-O 3.23Å; L10-V39 HydrophobicContact CD1-CG1 4.5Å; L10-V39 PolarHBondContact N-O 3.36Å; R11-V39 HydrophobicContact CB-CB 4.06Å; R11-V39 HydrophobicContact CB-CG2 4.26Å; R11-V39 PolarHBondContact N-O 2.73Å; R11-V39 VanDerWaalsContact N-O 3.09Å; R11-V39 PolarHBondContact O-N 2.94Å; L37-V39 HydrophobicContact CG-CG2 4.44Å |
| 40 | G | 79 | Confident | 65.6 | Low | 51 Ų | 51 | 87.1 Ų | 87.1 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 160.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S8 | S8-G40 CarbonylContact O-C 3.59Å; S8-G40 WeakPolarHBondContact O-CA 3.49Å |
| 41 | N | 77.2 | Confident | 66 | Low | 72 Ų | 72 | 86 Ų | 86 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.1 | 167 | -179.1 | 37.6 | 0 | 0 | 0 | 109 | S7 S8 L10 T43 | S7-N41 CarbonylContact C-O 3.59Å; S7-N41 VanDerWaalsContact CA-O 3.32Å; S7-N41 WeakPolarHBondContact CA-O 3.4Å; S8-N41 PolarHBondContact N-O 3.01Å; S8-N41 PolarHBondContact O-N 3.25Å; L10-N41 HydrophobicContact CD1-CB 3.86Å; L10-N41 HydrophobicContact CD2-CB 4.11Å; L10-N41 HydrophobicContact CG-CB 3.9Å; N41-T43 PolarHBondContact ND2-OG1 3.05Å |
| 42 | T | 76.8 | Confident | 66.2 | Low | 83 Ų | 83 | 87.3 Ų | 87.3 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.7 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | I5 V6 I44 | I5-T42 HydrophobicContact CG2-CG2 3.71Å; V6-T42 CarbonylContact O-C 3.54Å; V6-T42 WeakPolarHBondContact O-CA 3.49Å; T42-I44 HydrophobicContact CG2-CG1 4.39Å |
| 43 | T | 69.8 | Low | 66.5 | Low | 52 Ų | 52 | 91.4 Ų | 91.4 | 32% | 0.319 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.6 | 179.8 | -30.1 | 0 | 0 | 0 | 0 | 108.8 | V6 N41 F45 | V6-T43 PolarHBondContact N-O 3.39Å; V6-T43 PolarHBondContact O-N 3.47Å; N41-T43 PolarHBondContact ND2-OG1 3.05Å; T43-F45 HydrophobicContact CG2-CD1 4.47Å; T43-F45 HydrophobicContact CG2-CE1 3.58Å; T43-F45 HydrophobicContact CG2-CE2 3.96Å; T43-F45 HydrophobicContact CG2-CZ 3.28Å |
| 44 | I | 77.7 | Confident | 66.3 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 58% | 0.579 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.9 | -178.3 | -55.4 | 175.2 | 0 | 0 | 0 | 108.1 | T3 I5 T42 | T3-I44 HydrophobicContact CG2-CG2 3.78Å; I5-I44 HydrophobicContact CG1-CG1 4.38Å; I5-I44 HydrophobicContact CG1-CG2 4.42Å; I5-I44 HydrophobicContact CG2-CG1 4.41Å; T42-I44 HydrophobicContact CG2-CG1 4.39Å |
| 45 | F | 69.8 | Low | 65.8 | Low | 60 Ų | 60 | 91.5 Ų | 91.5 | 26% | 0.263 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.9 | 178.5 | -47.6 | -82.5 | 0 | 0 | 0 | 109.5 | T3 I4 V6 T43 T59 | T3-F45 CarbonylContact C-O 3.53Å; T3-F45 WeakPolarHBondContact CA-O 3.31Å; I4-F45 HydrophobicContact CB-CD2 4.48Å; I4-F45 PolarHBondContact N-O 3.47Å; I4-F45 PolarHBondContact O-N 3.47Å; V6-F45 HydrophobicContact CB-CE2 4.05Å; V6-F45 HydrophobicContact CG2-CD2 4.2Å; V6-F45 HydrophobicContact CG2-CE2 3.73Å; T43-F45 HydrophobicContact CG2-CD1 4.47Å; T43-F45 HydrophobicContact CG2-CE1 3.58Å; T43-F45 HydrophobicContact CG2-CE2 3.96Å; T43-F45 HydrophobicContact CG2-CZ 3.28Å; F45-T59 HydrophobicContact CE1-CG2 4.38Å; F45-T59 HydrophobicContact CZ-CG2 4.25Å |
| 46 | R | 63.1 | Low | 65.5 | Low | 205 Ų | 205 | 89 Ų | 89 | 77% | 0.774 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 113 | 166.4 | -113.6 | 179 | 177.7 | 170.6 | -0.9 | 108.2 | ||
| 47 | M | 63.8 | Low | 64.8 | Low | 41 Ų | 41 | 89.8 Ų | 89.8 | 20% | 0.202 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.1 | 177.8 | -77.2 | -175 | 160.4 | 0 | 0 | 110.8 | S1 L2 I4 S55 T59 | S1-M47 WeakPolarHBondContact CA-O 3.49Å; L2-M47 PolarHBondContact N-O 3.41Å; L2-M47 PolarHBondContact O-N 2.99Å; I4-M47 HydrophobicContact CD1-SD 3.84Å; M47-S55 WeakPolarHBondContact SD-CB 3.47Å; M47-S55 PolarHBondContact SD-OG 3.3Å; M47-S55 VanDerWaalsContact SD-OG 3.33Å; M47-T59 VanDerWaalsContact CE-OG1 3.28Å; M47-T59 WeakPolarHBondContact CE-OG1 3.33Å |
| 48 | N | 64.1 | Low | 64 | Low | 150 Ų | 150 | 91.1 Ų | 91.1 | 80% | 0.802 | 49% | 0.486 | S | S | * | . | trans | -99.1 | 81.8 | 164.7 | -79.1 | -16.6 | 0 | 0 | 0 | 107.8 | S1 | S1-N48 WeakPolarHBondContact CA-OD1 3.45Å; S1-N48 WeakPolarHBondContact CB-OD1 2.99Å | ||
| 49 | S | 58.1 | Low | 62.7 | Low | 55 Ų | 55 | 88.6 Ų | 88.6 | 39% | 0.385 | 48% | 0.475 | S | S | . | . | trans | -133.8 | 135.1 | 174.8 | 168.3 | 0 | 0 | 0 | 0 | 109.3 | N51 | S49-N51 PolarHBondContact O-N 2.77Å; S49-N51 PolarHBondContact OG-N 2.88Å; S49-N51 PolarHBondContact OG-O 3.43Å | ||
| 50 | S | 64.6 | Low | 61.7 | Low | 121 Ų | 121 | 91.6 Ų | 91.6 | 85% | 0.846 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -65.5 | -14.4 | 171.1 | 43.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 51 | N | 55.9 | Low | 60.2 | Low | 99 Ų | 99 | 95.3 Ų | 95.3 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | trans | -128.7 | 93.3 | 175.5 | -91.1 | -34.2 | 0 | 0 | 0 | 110.9 | S49 F53 S55 | S49-N51 PolarHBondContact O-N 2.77Å; S49-N51 PolarHBondContact OG-N 2.88Å; S49-N51 PolarHBondContact OG-O 3.43Å; N51-F53 VanDerWaalsContact C-N 3.34Å; N51-F53 PolarHBondContact O-N 3.26Å; N51-S55 PolarHBondContact O-OG 3.23Å | ||
| 52 | P | 54.2 | Low | 58.5 | Low | 47 Ų | 47 | 97.7 Ų | 97.7 | 31% | 0.305 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -29 | -172 | 24.3 | -32.8 | 0 | 0 | 0 | 114.1 | L2 S55 L56 | L2-P52 HydrophobicContact CD2-CB 3.54Å; P52-S55 PolarHBondContact O-OG 2.77Å; P52-L56 WeakPolarHBondContact O-CB 3.2Å; P52-L56 PolarHBondContact O-N 2.82Å |
| 53 | F | 55.7 | Low | 56.8 | Low | 168 Ų | 168 | 98.9 Ų | 98.9 | 74% | 0.737 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.4 | -36.6 | -176.6 | -80.8 | -81.1 | 0 | 0 | 0 | 113.6 | N51 L56 L57 | N51-F53 VanDerWaalsContact C-N 3.34Å; N51-F53 PolarHBondContact O-N 3.26Å; F53-L56 PolarHBondContact O-N 3.13Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.12Å |
| 54 | Q | 54.7 | Low | 55.3 | Low | 141 Ų | 141 | 102.2 Ų | 102.2 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.7 | -37.8 | -175.2 | -158.1 | 172.4 | 5.4 | 0 | 0 | 111.5 | Q58 | Q54-Q58 PolarHBondContact O-N 3.09Å |
| 55 | S | 50.1 | Low | 53.4 | Low | 17 Ų | 17 | 101.3 Ų | 101.3 | 12% | 0.119 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -73.9 | -31.7 | 176.5 | 47.3 | 0 | 0 | 0 | 0 | 113 | M47 N51 P52 Q58 T59 | M47-S55 WeakPolarHBondContact SD-CB 3.47Å; M47-S55 PolarHBondContact SD-OG 3.3Å; M47-S55 VanDerWaalsContact SD-OG 3.33Å; N51-S55 PolarHBondContact O-OG 3.23Å; P52-S55 PolarHBondContact O-OG 2.77Å; S55-Q58 PolarHBondContact O-N 2.78Å; S55-T59 PolarHBondContact O-N 2.76Å; S55-T59 PolarHBondContact O-OG1 3.39Å |
| 56 | L | 51.8 | Low | 51.8 | Low | 57 Ų | 57 | 106.4 Ų | 106.4 | 30% | 0.298 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | 174.4 | -149.8 | 153.9 | 0 | 0 | 0 | 111 | I4 P52 F53 Q58 T59 L60 | I4-L56 HydrophobicContact CD1-CB 4.39Å; I4-L56 HydrophobicContact CD1-CD1 3.55Å; I4-L56 HydrophobicContact CD1-CG 3.92Å; I4-L56 HydrophobicContact CG1-CD1 4.04Å; I4-L56 HydrophobicContact CG2-CD1 4.15Å; P52-L56 WeakPolarHBondContact O-CB 3.2Å; P52-L56 PolarHBondContact O-N 2.82Å; F53-L56 PolarHBondContact O-N 3.13Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 2.85Å; L56-T59 PolarHBondContact O-N 3.14Å; L56-L60 HydrophobicContact CD2-CD1 3.5Å; L56-L60 VanDerWaalsContact CD2-CD1 3.5Å; L56-L60 HydrophobicContact CD2-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 WeakPolarHBondContact O-CG 3.32Å; L56-L60 PolarHBondContact O-N 2.99Å |
| 57 | L | 54.5 | Low | 50.3 | Low | 99 Ų | 99 | 102.6 Ų | 102.6 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 170 | -107.7 | 146.1 | 0 | 0 | 0 | 111.9 | F53 T59 L60 L61 | F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.12Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.78Å; L57-L60 PolarHBondContact O-N 2.82Å; L57-L61 HydrophobicContact CB-CD1 4.44Å; L57-L61 HydrophobicContact CD2-CD1 3.37Å; L57-L61 HydrophobicContact CD2-CG 4.12Å; L57-L61 WeakPolarHBondContact O-CA 3.29Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.41Å |
| 58 | Q | 53.2 | Low | 48.9 | Very low | 126 Ų | 126 | 105.4 Ų | 105.4 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.6 | -33.4 | 178.2 | -134.3 | 170.7 | 8.4 | 0 | 0 | 112.6 | Q54 S55 L56 H62 | Q54-Q58 PolarHBondContact O-N 3.09Å; S55-Q58 PolarHBondContact O-N 2.78Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 2.85Å; Q58-H62 VanDerWaalsContact O-CB 3.25Å; Q58-H62 WeakPolarHBondContact O-CB 3.5Å; Q58-H62 PolarHBondContact O-N 2.74Å |
| 59 | T | 50.8 | Low | 47.3 | Very low | 42 Ų | 42 | 103.6 Ų | 103.6 | 26% | 0.258 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.6 | -33.4 | 176.8 | -45.7 | 0 | 0 | 0 | 0 | 111.6 | F45 M47 S55 L56 L57 | F45-T59 HydrophobicContact CE1-CG2 4.38Å; F45-T59 HydrophobicContact CZ-CG2 4.25Å; M47-T59 VanDerWaalsContact CE-OG1 3.28Å; M47-T59 WeakPolarHBondContact CE-OG1 3.33Å; S55-T59 PolarHBondContact O-N 2.76Å; S55-T59 PolarHBondContact O-OG1 3.39Å; L56-T59 PolarHBondContact O-N 3.14Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.78Å |
| 60 | L | 50.6 | Low | 46 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 65% | 0.654 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.6 | -33 | 174.1 | -77.5 | 168.6 | 0 | 0 | 0 | 113.5 | L56 L57 | L56-L60 HydrophobicContact CD2-CD1 3.5Å; L56-L60 VanDerWaalsContact CD2-CD1 3.5Å; L56-L60 HydrophobicContact CD2-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 WeakPolarHBondContact O-CG 3.32Å; L56-L60 PolarHBondContact O-N 2.99Å; L57-L60 PolarHBondContact O-N 2.82Å |
| 61 | L | 48.2 | Very low | 44.5 | Very low | 128 Ų | 128 | 110.8 Ų | 110.8 | 67% | 0.67 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -88.5 | -21.8 | 180 | -77.9 | 165.3 | 0 | 0 | 0 | 113.1 | L57 P63 | L57-L61 HydrophobicContact CB-CD1 4.44Å; L57-L61 HydrophobicContact CD2-CD1 3.37Å; L57-L61 HydrophobicContact CD2-CG 4.12Å; L57-L61 WeakPolarHBondContact O-CA 3.29Å; L57-L61 WeakPolarHBondContact O-CB 3.25Å; L57-L61 VanDerWaalsContact O-CG 3.31Å; L57-L61 WeakPolarHBondContact O-CG 3.44Å; L57-L61 PolarHBondContact O-N 3.41Å; L61-P63 WeakPolarHBondContact O-CD 3.36Å |
| 62 | H | 40.2 | Very low | 43.4 | Very low | 122 Ų | 122 | 109.4 Ų | 109.4 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -63.7 | 126.3 | 172.1 | -106.6 | -35.7 | 0 | 0 | 0 | 107.9 | Q58 L64 | Q58-H62 VanDerWaalsContact O-CB 3.25Å; Q58-H62 WeakPolarHBondContact O-CB 3.5Å; Q58-H62 PolarHBondContact O-N 2.74Å; H62-L64 PolarHBondContact O-N 3.35Å |
| 63 | P | 41.4 | Very low | 42.3 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | trans | -72.4 | 67.8 | 172.7 | 32.1 | -32.2 | 0 | 0 | 0 | 107.3 | L61 N65 | L61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-N65 PolarHBondContact O-N 3.42Å | ||
| 64 | L | 38 | Very low | 41.2 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 64% | 0.639 | 58% | 0.582 | S | S | * | * | trans | -65.2 | 88.4 | 164 | -91.1 | 163.1 | 0 | 0 | 0 | 105.9 | H62 F66 | H62-L64 PolarHBondContact O-N 3.35Å; L64-F66 PolarHBondContact O-N 2.88Å | ||
| 65 | N | 38.5 | Very low | 40.1 | Very low | 95 Ų | 95 | 112 Ų | 112 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | trans | 52 | 66.8 | 149.1 | -68 | -27.8 | 0 | 0 | 0 | 114.7 | P63 I67 V68 | P63-N65 PolarHBondContact O-N 3.42Å; N65-I67 HydrophobicContact CB-CB 4.13Å; N65-I67 HydrophobicContact CB-CG1 4.31Å; N65-I67 PolarHBondContact O-N 3.46Å; N65-I67 VanDerWaalsContact OD1-CD1 3.23Å; N65-I67 WeakPolarHBondContact OD1-CD1 3.4Å; N65-V68 PolarHBondContact O-N 3.09Å | ||
| 66 | F | 35.8 | Very low | 39.5 | Very low | 167 Ų | 167 | 115.5 Ų | 115.5 | 73% | 0.732 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -52 | -0.2 | 144.3 | -94.7 | -89.3 | 0 | 0 | 0 | 113.4 | L64 V68 I69 | L64-F66 PolarHBondContact O-N 2.88Å; F66-V68 PolarHBondContact O-N 2.89Å; F66-I69 HydrophobicContact CD1-CD1 3.59Å; F66-I69 HydrophobicContact CE1-CD1 3.64Å; F66-I69 HydrophobicContact CG-CD1 4.48Å; F66-I69 PolarHBondContact O-N 3.21Å |
| 67 | I | 31.9 | Very low | 38.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -58.3 | -22.3 | 171.8 | -60.2 | -175.5 | 0 | 0 | 0 | 112.4 | N65 | N65-I67 HydrophobicContact CB-CB 4.13Å; N65-I67 HydrophobicContact CB-CG1 4.31Å; N65-I67 PolarHBondContact O-N 3.46Å; N65-I67 VanDerWaalsContact OD1-CD1 3.23Å; N65-I67 WeakPolarHBondContact OD1-CD1 3.4Å |
| 68 | V | 33.8 | Very low | 37.7 | Very low | 100 Ų | 100 | 116.2 Ų | 116.2 | 61% | 0.606 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -85.8 | -17.6 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 113.8 | N65 F66 | N65-V68 PolarHBondContact O-N 3.09Å; F66-V68 PolarHBondContact O-N 2.89Å |
| 69 | I | 31.5 | Very low | 36.9 | Very low | 112 Ų | 112 | 119 Ų | 119 | 57% | 0.574 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -18 | -174.4 | -67.3 | 163.4 | 0 | 0 | 0 | 112.8 | F66 I71 | F66-I69 HydrophobicContact CD1-CD1 3.59Å; F66-I69 HydrophobicContact CE1-CD1 3.64Å; F66-I69 HydrophobicContact CG-CD1 4.48Å; F66-I69 PolarHBondContact O-N 3.21Å; I69-I71 PolarHBondContact O-N 3.11Å |
| 70 | K | 30.2 | Very low | 36.2 | Very low | 187 Ų | 187 | 121.1 Ų | 121.1 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -15.8 | -177.4 | -134.2 | 175.3 | -175 | 177 | 0 | 114.6 | ||
| 71 | I | 32.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 124 Ų | 124 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -27.7 | -178.4 | -63.1 | 175.6 | 0 | 0 | 0 | 111.7 | I69 | I69-I71 PolarHBondContact O-N 3.11Š|
| 72 | V | 33.2 | Very low | 35.1 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 42% | 0.418 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -88.2 | -21.6 | -174 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | R74 S75 L76 | V72-R74 PolarHBondContact O-N 3.01Å; V72-R74 VanDerWaalsContact O-N 3.12Å; V72-S75 PolarHBondContact O-N 3.47Å; V72-S75 VanDerWaalsContact O-N 3.13Å; V72-L76 HydrophobicContact CG1-CD1 4.04Å |
| 73 | A | 31.8 | Very low | 34.9 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -63.2 | -20.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | R | 32.2 | Very low | 34.9 | Very low | 239 Ų | 239 | 121.8 Ų | 121.8 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -81.8 | -16.6 | 176.7 | -93.3 | -177.9 | 172.7 | 172.5 | -2.3 | 114.5 | V72 | V72-R74 PolarHBondContact O-N 3.01Å; V72-R74 VanDerWaalsContact O-N 3.12Å |
| 75 | S | 32.1 | Very low | 35 | Very low | 94 Ų | 94 | 123.6 Ų | 123.6 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -95.8 | -6.3 | -174.9 | -157.7 | 0 | 0 | 0 | 0 | 114.4 | V72 | V72-S75 PolarHBondContact O-N 3.47Å; V72-S75 VanDerWaalsContact O-N 3.13Å |
| 76 | L | 37.2 | Very low | 34.9 | Very low | 91 Ų | 91 | 123.3 Ų | 123.3 | 48% | 0.476 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -100.5 | -15.7 | -175.8 | -98.6 | 103 | 0 | 0 | 0 | 115.2 | V72 G78 L80 | V72-L76 HydrophobicContact CG1-CD1 4.04Å; L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.14Å; L76-L80 HydrophobicContact CD2-CD1 3.44Å; L76-L80 VanDerWaalsContact CD2-CD1 3.44Å; L76-L80 HydrophobicContact CG-CD1 4.27Å |
| 77 | A | 35.5 | Very low | 35 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 78 | G | 32.4 | Very low | 35.3 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -17.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | L76 | L76-G78 PolarHBondContact O-N 3.18Å; L76-G78 VanDerWaalsContact O-N 3.14Å |
| 79 | Q | 36.5 | Very low | 35.4 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 86% | 0.864 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.7 | -0.3 | -165.4 | -82.9 | -171.9 | -25.2 | 0 | 0 | 118.1 | H81 | Q79-H81 PolarHBondContact O-N 3.42Š|
| 80 | L | 36.6 | Very low | 35.6 | Very low | 86 Ų | 86 | 127.8 Ų | 127.8 | 45% | 0.45 | 65% | 0.653 | S | S | . | * | trans | -98.8 | 86.4 | 175.4 | -83 | 153.6 | 0 | 0 | 0 | 110.7 | L76 L82 Y86 | L76-L80 HydrophobicContact CD2-CD1 3.44Å; L76-L80 VanDerWaalsContact CD2-CD1 3.44Å; L76-L80 HydrophobicContact CG-CD1 4.27Å; L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.44Å; L80-Y86 HydrophobicContact CD2-CE2 4.41Å | ||
| 81 | H | 37.2 | Very low | 35.7 | Very low | 186 Ų | 186 | 121.9 Ų | 121.9 | 86% | 0.861 | 64% | 0.635 | S | S | * | * | trans | -58.5 | 104.3 | 150 | -115.6 | -80.1 | 0 | 0 | 0 | 106.5 | Q79 S83 | Q79-H81 PolarHBondContact O-N 3.42Å; H81-S83 VanDerWaalsContact C-N 3.29Å; H81-S83 PolarHBondContact O-N 3.29Å | ||
| 82 | L | 37.6 | Very low | 35.8 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | trans | -59 | 90.1 | 177.2 | -79.7 | 153.4 | 0 | 0 | 0 | 109.4 | L80 | L80-L82 VanDerWaalsContact C-N 3.32Å; L80-L82 PolarHBondContact O-N 3.44Å | ||
| 83 | S | 37.4 | Very low | 35.8 | Very low | 56 Ų | 56 | 125 Ų | 125 | 39% | 0.392 | 64% | 0.636 | S | S | . | * | trans | -72.7 | 132.2 | 167.5 | 179.4 | 0 | 0 | 0 | 0 | 108.6 | H81 R85 Y86 | H81-S83 VanDerWaalsContact C-N 3.29Å; H81-S83 PolarHBondContact O-N 3.29Å; S83-R85 PolarHBondContact O-N 3.44Å; S83-Y86 PolarHBondContact O-N 2.79Å; S83-Y86 VanDerWaalsContact O-N 3.1Å | ||
| 84 | P | 40.4 | Very low | 35.9 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -18.9 | -177.4 | -26.6 | 33 | 0 | 0 | 0 | 115.2 | Y86 | P84-Y86 VanDerWaalsContact C-N 3.33Å; P84-Y86 PolarHBondContact O-N 3.1Å |
| 85 | R | 41.2 | Very low | 36 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 60% | 0.604 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -19.3 | -179.8 | -69.9 | -176.3 | 176.2 | 179 | -1.7 | 114.3 | S83 Y87 Q88 | S83-R85 PolarHBondContact O-N 3.44Å; R85-Y87 VanDerWaalsContact C-N 3.31Å; R85-Y87 PolarHBondContact O-N 2.96Å; R85-Q88 PolarHBondContact O-N 3.28Å |
| 86 | Y | 36.2 | Very low | 36.1 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 35% | 0.345 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.7 | -28.7 | 179.1 | -103.7 | -90.2 | 0 | 0 | 0 | 113.2 | A14 L80 S83 P84 Q88 L89 W90 | A14-Y86 VanDerWaalsContact CB-OH 3.29Å; A14-Y86 WeakPolarHBondContact CB-OH 3.41Å; A14-Y86 PolarHBondContact N-OH 3.35Å; A14-Y86 PolarHBondContact O-OH 3.29Å; L80-Y86 HydrophobicContact CD2-CE2 4.41Å; S83-Y86 PolarHBondContact O-N 2.79Å; S83-Y86 VanDerWaalsContact O-N 3.1Å; P84-Y86 VanDerWaalsContact C-N 3.33Å; P84-Y86 PolarHBondContact O-N 3.1Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.16Å; Y86-L89 PolarHBondContact O-N 3.46Å; Y86-W90 PolarHBondContact O-N 2.89Å; Y86-W90 VanDerWaalsContact O-N 3.16Å |
| 87 | Y | 36.7 | Very low | 36 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63 | -31.8 | 175.5 | -97.5 | -85.2 | 0 | 0 | 0 | 113.1 | R85 S91 | R85-Y87 VanDerWaalsContact C-N 3.31Å; R85-Y87 PolarHBondContact O-N 2.96Å; Y87-S91 PolarHBondContact O-N 3.26Å; Y87-S91 PolarHBondContact O-OG 3.4Å |
| 88 | Q | 39.1 | Very low | 35.8 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.3 | -30.5 | 177.9 | -89.8 | -177.9 | -23.1 | 0 | 0 | 113.2 | R85 Y86 S91 R92 | R85-Q88 PolarHBondContact O-N 3.28Å; Y86-Q88 VanDerWaalsContact C-N 3.28Å; Y86-Q88 PolarHBondContact O-N 3.16Å; Q88-S91 WeakPolarHBondContact CA-OG 3.45Å; Q88-S91 PolarHBondContact O-OG 3.38Å; Q88-S91 VanDerWaalsContact O-OG 3.06Å; Q88-R92 WeakPolarHBondContact O-CG 3.5Å; Q88-R92 PolarHBondContact O-N 3.06Å |
| 89 | L | 36.8 | Very low | 36 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 42% | 0.419 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.3 | -39.5 | 176.3 | -107.7 | 139.6 | 0 | 0 | 0 | 111.5 | Y86 S91 R92 L93 | Y86-L89 PolarHBondContact O-N 3.46Å; L89-S91 VanDerWaalsContact C-N 3.35Å; L89-S91 PolarHBondContact O-N 3.02Å; L89-R92 PolarHBondContact O-N 3Å; L89-L93 PolarHBondContact O-N 3.28Å; L89-L93 VanDerWaalsContact O-N 3.09Å |
| 90 | W | 34.3 | Very low | 35.9 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 70% | 0.701 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 176.6 | -136.7 | 83.8 | 0 | 0 | 0 | 112.2 | Y86 R92 L93 L94 | Y86-W90 PolarHBondContact O-N 2.89Å; Y86-W90 VanDerWaalsContact O-N 3.16Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 3.21Å; W90-L93 PolarHBondContact O-N 3.16Å; W90-L94 HydrophobicContact CE3-CD1 3.55Å; W90-L94 HydrophobicContact CH2-CD1 3.93Å; W90-L94 HydrophobicContact CZ3-CD1 3.14Å; W90-L94 PolarHBondContact O-N 3.06Å; W90-L94 VanDerWaalsContact O-N 3.11Å |
| 91 | S | 33 | Very low | 35.9 | Very low | 64 Ų | 64 | 135.3 Ų | 135.3 | 45% | 0.448 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -70.6 | -21.9 | 176.6 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | Y87 Q88 L89 | Y87-S91 PolarHBondContact O-N 3.26Å; Y87-S91 PolarHBondContact O-OG 3.4Å; Q88-S91 WeakPolarHBondContact CA-OG 3.45Å; Q88-S91 PolarHBondContact O-OG 3.38Å; Q88-S91 VanDerWaalsContact O-OG 3.06Å; L89-S91 VanDerWaalsContact C-N 3.35Å; L89-S91 PolarHBondContact O-N 3.02Å |
| 92 | R | 33.8 | Very low | 35.8 | Very low | 192 Ų | 192 | 132.3 Ų | 132.3 | 73% | 0.725 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.2 | -33.6 | 173.7 | -70.8 | -174 | 101.6 | -178 | 6.6 | 112.8 | Q88 L89 W90 K95 L96 | Q88-R92 WeakPolarHBondContact O-CG 3.5Å; Q88-R92 PolarHBondContact O-N 3.06Å; L89-R92 PolarHBondContact O-N 3Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 3.21Å; R92-K95 PolarHBondContact O-N 3.15Å; R92-L96 PolarHBondContact O-N 3.45Å |
| 93 | L | 33.9 | Very low | 35.7 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 44% | 0.435 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.7 | -40.5 | 172.2 | -77.8 | 162.4 | 0 | 0 | 0 | 111.1 | L89 W90 K95 L96 D97 | L89-L93 PolarHBondContact O-N 3.28Å; L89-L93 VanDerWaalsContact O-N 3.09Å; W90-L93 PolarHBondContact O-N 3.16Å; L93-K95 PolarHBondContact O-N 2.85Å; L93-L96 PolarHBondContact O-N 2.74Å; L93-D97 PolarHBondContact O-N 3.28Å |
| 94 | L | 34 | Very low | 35.6 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | -20.3 | 174.7 | -129.4 | 123.8 | 0 | 0 | 0 | 114.1 | W90 | W90-L94 HydrophobicContact CE3-CD1 3.55Å; W90-L94 HydrophobicContact CH2-CD1 3.93Å; W90-L94 HydrophobicContact CZ3-CD1 3.14Å; W90-L94 PolarHBondContact O-N 3.06Å; W90-L94 VanDerWaalsContact O-N 3.11Å |
| 95 | K | 33.9 | Very low | 35.3 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 74% | 0.739 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -13.4 | 173.8 | -87.1 | -176.3 | 174.8 | -176.8 | 0 | 113.9 | R92 L93 | R92-K95 PolarHBondContact O-N 3.15Å; L93-K95 PolarHBondContact O-N 2.85Å |
| 96 | L | 34.1 | Very low | 34.8 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 74% | 0.738 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -15.7 | 175.1 | -78.2 | 158.8 | 0 | 0 | 0 | 112.1 | R92 L93 | R92-L96 PolarHBondContact O-N 3.45Å; L93-L96 PolarHBondContact O-N 2.74Å |
| 97 | D | 35.4 | Very low | 34.7 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | trans | -99.3 | 13.7 | 178.6 | -83.7 | -29.6 | 0 | 0 | 0 | 114 | L93 | L93-D97 PolarHBondContact O-N 3.28Š| ||
| 98 | L | 31.3 | Very low | 34.5 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 100% | 1.058 | 66% | 0.655 | S | S | * | * | trans | -125.6 | 0 | 171.8 | -80.4 | 166.3 | 0 | 0 | 0 | 110.2 |
Retrieved 98 of 98 residues in 48.7 ms
(Link to these results)