| 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 | 34.5 | Very low | 46.2 | Very low | 238 Ų | 238 | 140.7 Ų | 140.7 | 100% | 1.172 | 83% | 0.829 | S | S | * | * | 0 | 100.2 | 0 | -99.9 | 177.8 | -79.5 | 0 | 0 | 106.1 | G3 | M1-G3 PolarHBondContact O-N 3.46Š| |||
| 2 | E | 40.1 | Very low | 46.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -66.9 | 118.3 | -171.7 | -60 | -70.1 | 105.4 | 0 | 0 | 110 | L4 | E2-L4 PolarHBondContact O-N 3.17Š| ||
| 3 | G | 43.9 | Very low | 47.1 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -90.8 | 100.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1 V5 | M1-G3 PolarHBondContact O-N 3.46Å; G3-V5 PolarHBondContact O-N 3.23Å | ||
| 4 | L | 42.7 | Very low | 47.2 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | trans | -47.5 | 113.4 | 178 | -125.6 | 133.1 | 0 | 0 | 0 | 112.6 | E2 L6 | E2-L4 PolarHBondContact O-N 3.17Å; L4-L6 PolarHBondContact O-N 3.33Å | ||
| 5 | V | 47.2 | Very low | 47.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | -74 | 110.3 | 166.6 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | G3 A7 | G3-V5 PolarHBondContact O-N 3.23Å; V5-A7 VanDerWaalsContact C-N 3.26Å; V5-A7 PolarHBondContact O-N 3.44Å | ||
| 6 | L | 47.3 | Very low | 47.5 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -70.3 | 86.3 | 171.5 | -78.6 | 169.2 | 0 | 0 | 0 | 109.4 | L4 L8 | L4-L6 PolarHBondContact O-N 3.33Å; L6-L8 PolarHBondContact O-N 3.11Å | ||
| 7 | A | 56.2 | Low | 47.9 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | trans | -83.2 | 96.6 | 165 | 0 | 0 | 0 | 0 | 0 | 108.6 | V5 | V5-A7 VanDerWaalsContact C-N 3.26Å; V5-A7 PolarHBondContact O-N 3.44Å | ||
| 8 | L | 50 | Low | 48.1 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -99.9 | 83.4 | 165.4 | -76 | 165.6 | 0 | 0 | 0 | 108.9 | L6 | L6-L8 PolarHBondContact O-N 3.11Š| ||
| 9 | C | 48.5 | Very low | 48.3 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 72% | 0.723 | 81% | 0.814 | S | S | * | * | trans | -114.4 | 95.2 | 157.9 | -72.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 10 | A | 49.6 | Very low | 48.5 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -94.3 | 123.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | L | 48.4 | Very low | 48.9 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -74.7 | -176.2 | -173.5 | -69.8 | 124.5 | 0 | 0 | 0 | 114.1 | ||||
| 12 | P | 54 | Low | 49.8 | Very low | 108 Ų | 108 | 120 Ų | 120 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -138.2 | 170.8 | -2.5 | 22.3 | 4.2 | 0 | 0 | 0 | 117.8 | ||||
| 13 | L | 50.4 | Low | 50.5 | Low | 170 Ų | 170 | 117 Ų | 117 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | 46.6 | 97.8 | 152.4 | -90 | 76.1 | 0 | 0 | 0 | 121.6 | ||||
| 14 | A | 47.8 | Very low | 51.2 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | -165.5 | 144 | 122.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | A16 | A14-A16 PolarHBondContact O-N 3.5Š| |||
| 15 | A | 50.7 | Low | 52 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 93% | 0.934 | 75% | 0.751 | S | S | * | * | trans | -51 | 104.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 16 | A | 48.6 | Very low | 53 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | -150.8 | 126.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | A14 A18 | A14-A16 PolarHBondContact O-N 3.5Å; A16-A18 PolarHBondContact O-N 3.24Å | ||
| 17 | S | 54.4 | Low | 54.7 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -65 | 77.4 | 174.6 | 41.3 | 0 | 0 | 0 | 0 | 109.7 | V19 | S17-V19 PolarHBondContact O-N 3.39Š| ||
| 18 | A | 50.8 | Low | 56.5 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -71.3 | 81.3 | 165 | 0 | 0 | 0 | 0 | 0 | 107.2 | A16 C20 | A16-A18 PolarHBondContact O-N 3.24Å; A18-C20 VanDerWaalsContact C-N 3.27Å; A18-C20 PolarHBondContact O-N 3.48Å | ||
| 19 | V | 52.9 | Low | 58.8 | Low | 122 Ų | 122 | 106.7 Ų | 106.7 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | trans | -59 | 100.3 | 161.6 | 178.7 | 0 | 0 | 0 | 0 | 105.2 | S17 A21 | S17-V19 PolarHBondContact O-N 3.39Å; V19-A21 PolarHBondContact O-N 3.2Å | ||
| 20 | C | 52.5 | Low | 61.1 | Low | 97 Ų | 97 | 101.6 Ų | 101.6 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | trans | -59.2 | 93.3 | 158.3 | -91.9 | 0 | 0 | 0 | 0 | 105.3 | A18 T22 | A18-C20 VanDerWaalsContact C-N 3.27Å; A18-C20 PolarHBondContact O-N 3.48Å; C20-T22 PolarHBondContact O-N 3.49Å | ||
| 21 | A | 56.3 | Low | 63.5 | Low | 80 Ų | 80 | 99.9 Ų | 99.9 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | trans | -68.3 | 87.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | V19 M23 | V19-A21 PolarHBondContact O-N 3.2Å; A21-M23 PolarHBondContact O-N 3.37Å | ||
| 22 | T | 53.3 | Low | 65.8 | Low | 127 Ų | 127 | 95 Ų | 95 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | trans | -62.4 | 91.9 | 163.6 | -42 | 0 | 0 | 0 | 0 | 105.3 | C20 P24 | C20-T22 PolarHBondContact O-N 3.49Å; T22-P24 WeakPolarHBondContact O-CD 3.45Å | ||
| 23 | M | 55.4 | Low | 68 | Low | 132 Ų | 132 | 90.9 Ų | 90.9 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | trans | -54.2 | 118.1 | 170.1 | -81.6 | -89.6 | -80.4 | 0 | 0 | 105.8 | A21 A25 | A21-M23 PolarHBondContact O-N 3.37Å; M23-A25 PolarHBondContact O-N 3.43Å; M23-A25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | P | 57.7 | Low | 70.2 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 69% | 0.688 | 56% | 0.561 | S | S | * | * | trans | -56.1 | 126 | -179.1 | 20.4 | -30 | 0 | 0 | 0 | 107.3 | T22 R26 | T22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-R26 PolarHBondContact O-N 3.23Å | ||
| 25 | A | 59.8 | Low | 72.6 | Confident | 60 Ų | 60 | 91.7 Ų | 91.7 | 50% | 0.496 | 55% | 0.55 | S | S | . | * | trans | -51.8 | 110.9 | 173 | 0 | 0 | 0 | 0 | 0 | 106.8 | M23 N27 P49 | M23-A25 PolarHBondContact O-N 3.43Å; M23-A25 VanDerWaalsContact O-N 3.09Å; A25-N27 PolarHBondContact O-N 3.13Å; A25-P49 HydrophobicContact CB-CB 4.11Å | ||
| 26 | R | 67.8 | Low | 74.8 | Confident | 158 Ų | 158 | 87.4 Ų | 87.4 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | trans | -68.8 | 128.1 | -179.9 | -78.1 | -173.6 | 161.8 | -158.6 | -4.9 | 106.7 | P24 L28 | P24-R26 PolarHBondContact O-N 3.23Å; R26-L28 PolarHBondContact O-N 3.49Å | ||
| 27 | N | 83.9 | Confident | 77.1 | Confident | 163 Ų | 163 | 87.4 Ų | 87.4 | 87% | 0.872 | 51% | 0.507 | S | S | * | . | trans | -70 | 64.9 | 167.1 | -75.2 | -14.4 | 0 | 0 | 0 | 109.5 | A25 | A25-N27 PolarHBondContact O-N 3.13Š| ||
| 28 | L | 94.8 | Very high | 79 | Confident | 12 Ų | 12 | 83.7 Ų | 83.7 | 6% | 0.063 | 48% | 0.481 | C | S | . | . | trans | -78.1 | 132.9 | 179.6 | -173.8 | 68.6 | 0 | 0 | 0 | 108.6 | R26 C47 D51 G105 | R26-L28 PolarHBondContact O-N 3.49Å; L28-C47 HydrophobicContact CB-CB 4.13Å; L28-C47 HydrophobicContact CD2-CB 4.36Å; L28-C47 HydrophobicContact CG-CB 4.34Å; L28-C47 VanDerWaalsContact O-CB 3.27Å; L28-C47 WeakPolarHBondContact O-CB 3.47Å; L28-C47 PolarHBondContact O-N 3.11Å; L28-C47 PolarHBondContact O-SG 3.27Å; L28-D51 HydrophobicContact CD2-CB 4.44Å; L28-G105 WeakPolarHBondContact CD1-O 3.38Å | ||
| 29 | S | 97.1 | Very high | 81 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.1 | 165.8 | 57.9 | 0 | 0 | 0 | 0 | 108.4 | T45 A106 L107 | S29-T45 WeakPolarHBondContact CA-O 3.47Å; S29-A106 CarbonylContact O-C 3.59Å; S29-A106 WeakPolarHBondContact O-CA 3.45Å; S29-L107 PolarHBondContact O-N 3.18Å; S29-L107 WeakPolarHBondContact OG-CD2 3.37Å |
| 30 | C | 98.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 156.3 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | T45 C47 C54 | C30-T45 PolarHBondContact N-O 3.28Å; C30-T45 PolarHBondContact O-N 3.4Å; C30-C47 PolarHBondContact SG-SG 3.35Å; C30-C54 HydrophobicContact CB-CB 3.75Å; C30-C54 WeakPolarHBondContact CB-SG 3.47Å; C30-C54 WeakPolarHBondContact SG-CA 3.48Å; C30-C54 WeakPolarHBondContact SG-CB 3.39Å; C30-C54 CovalentContact SG-SG 2.02Å; C30-C54 PolarHBondContact SG-SG 3.34Å |
| 31 | Y | 98.4 | Very high | 85 | Confident | 65 Ų | 65 | 87.9 Ų | 87.9 | 26% | 0.255 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135 | 162.2 | -68 | -79.4 | 0 | 0 | 0 | 109.4 | C42 P43 P44 K73 L107 N109 R110 | Y31-C42 WeakPolarHBondContact CD1-O 3.07Å; Y31-P43 CarbonylContact C-O 3.59Å; Y31-P43 WeakPolarHBondContact CA-O 3.5Å; Y31-P44 HydrophobicContact CD1-CB 4.35Å; Y31-P44 HydrophobicContact CE1-CB 4.25Å; Y31-K73 WeakPolarHBondContact O-CB 3.43Å; Y31-L107 HydrophobicContact CD2-CB 4.41Å; Y31-L107 HydrophobicContact CD2-CD2 4.43Å; Y31-L107 HydrophobicContact CE2-CB 3.85Å; Y31-L107 HydrophobicContact CE2-CD2 4.25Å; Y31-N109 WeakPolarHBondContact CD2-OD1 3.47Å; Y31-N109 PolarHBondContact N-OD1 3.39Å; Y31-N109 PolarHBondContact O-ND2 2.02Å; Y31-R110 HydrophobicContact CD2-CB 4.13Å; Y31-R110 HydrophobicContact CE2-CB 3.59Å |
| 32 | Q | 98.2 | Very high | 87 | Confident | 56 Ų | 56 | 84.3 Ų | 84.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | trans | -130.8 | 138 | -178.2 | -57.2 | -160.3 | 58.1 | 0 | 0 | 111.5 | C42 P43 T45 K73 C75 | Q32-C42 WeakPolarHBondContact O-CA 3.33Å; Q32-P43 PolarHBondContact N-O 3.48Å; Q32-P43 VanDerWaalsContact O-CD 3.29Å; Q32-P43 WeakPolarHBondContact O-CD 3.27Å; Q32-T45 VanDerWaalsContact NE2-CB 3.28Å; Q32-K73 WeakPolarHBondContact CA-O 3.04Å; Q32-C75 PolarHBondContact NE2-SG 3.13Å | ||
| 33 | C | 98.3 | Very high | 89.1 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 162.6 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | V36 C42 S72 K73 | C33-V36 HydrophobicContact CB-CG1 4.08Å; C33-V36 HydrophobicContact CB-CG2 3.77Å; C33-C42 HydrophobicContact CB-CB 3.67Å; C33-C42 WeakPolarHBondContact CB-SG 3.34Å; C33-C42 WeakPolarHBondContact SG-CB 3.5Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.33Å; C33-S72 CarbonylContact O-C 3.51Å; C33-S72 WeakPolarHBondContact O-CA 3.36Å; C33-K73 PolarHBondContact N-O 3.2Å; C33-K73 PolarHBondContact O-N 3Å |
| 34 | F | 97.9 | Very high | 91.1 | Very high | 150 Ų | 150 | 79.4 Ų | 79.4 | 66% | 0.658 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 123.8 | 177.7 | -177.8 | -112.2 | 0 | 0 | 0 | 110.7 | V36 | F34-V36 VanDerWaalsContact C-N 3.3Å; F34-V36 PolarHBondContact O-N 3.24Å |
| 35 | K | 96.9 | Very high | 93 | Very high | 136 Ų | 136 | 77.1 Ų | 77.1 | 59% | 0.591 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 47.5 | 46.5 | 177.6 | -63 | -176.9 | 175.2 | -179.1 | 0 | 114.1 | L70 L71 S72 | K35-L70 HydrophobicContact CB-CD2 4.49Å; K35-L71 WeakPolarHBondContact CA-O 3.29Å; K35-L71 PolarHBondContact N-O 2.86Å; K35-S72 PolarHBondContact N-OG 3.24Å |
| 36 | V | 98.1 | Very high | 94.8 | Very high | 22 Ų | 22 | 78.2 Ų | 78.2 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 155.2 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | C33 F34 Q41 L70 L71 | C33-V36 HydrophobicContact CB-CG1 4.08Å; C33-V36 HydrophobicContact CB-CG2 3.77Å; F34-V36 VanDerWaalsContact C-N 3.3Å; F34-V36 PolarHBondContact O-N 3.24Å; V36-Q41 HydrophobicContact CB-CB 3.99Å; V36-Q41 HydrophobicContact CG1-CB 4.02Å; V36-Q41 HydrophobicContact CG2-CB 4.15Å; V36-L70 WeakPolarHBondContact O-CA 3.32Å; V36-L71 HydrophobicContact CG2-CB 3.96Å; V36-L71 PolarHBondContact N-O 2.72Å; V36-L71 PolarHBondContact O-N 2.89Å |
| 37 | S | 96.5 | Very high | 96.2 | Very high | 85 Ų | 85 | 71.8 Ų | 71.8 | 59% | 0.594 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -90 | -9.2 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | T69 | S37-T69 WeakPolarHBondContact CA-O 3.48Š|
| 38 | S | 94.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 66.8 Ų | 66.8 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | trans | -140 | 137.2 | -176.9 | -178 | 0 | 0 | 0 | 0 | 112.1 | R40 Q41 | S38-R40 PolarHBondContact O-N 3.21Å; S38-R40 VanDerWaalsContact O-N 3.12Å; S38-R40 PolarHBondContact OG-N 3.44Å; S38-Q41 WeakPolarHBondContact O-CB 3.18Å; S38-Q41 PolarHBondContact O-N 3.41Å | ||
| 39 | W | 92.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 70.7 Ų | 70.7 | 23% | 0.231 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -58.1 | -25.5 | 175.6 | -54.1 | 90.1 | 0 | 0 | 0 | 113 | Q41 C42 E58 L71 K73 A111 P112 | W39-Q41 PolarHBondContact O-N 3.31Å; W39-C42 WeakPolarHBondContact O-CB 3.34Å; W39-C42 PolarHBondContact O-N 3.39Å; W39-E58 WeakPolarHBondContact CZ2-OE1 3.11Å; W39-L71 HydrophobicContact CB-CD1 4.33Å; W39-L71 HydrophobicContact CD2-CD1 3.54Å; W39-L71 HydrophobicContact CD2-CD2 4.15Å; W39-L71 HydrophobicContact CD2-CG 4.48Å; W39-L71 HydrophobicContact CE3-CD1 4.02Å; W39-L71 HydrophobicContact CE3-CD2 4.19Å; W39-L71 HydrophobicContact CG-CD1 3.66Å; W39-L71 HydrophobicContact CH2-CD2 3.53Å; W39-L71 HydrophobicContact CZ2-CD1 4.32Å; W39-L71 HydrophobicContact CZ2-CD2 3.51Å; W39-L71 HydrophobicContact CZ3-CD2 3.85Å; W39-K73 VanDerWaalsContact CE3-NZ 3.34Å; W39-A111 HydrophobicContact CB-CB 3.78Å; W39-A111 HydrophobicContact CD2-CB 4.08Å; W39-A111 HydrophobicContact CE3-CB 4.4Å; W39-A111 HydrophobicContact CG-CB 3.83Å; W39-P112 HydrophobicContact CH2-CG 4.39Å; W39-P112 HydrophobicContact CZ2-CG 4.05Å |
| 40 | R | 93.8 | Very high | 96.3 | Very high | 239 Ų | 239 | 75.5 Ų | 75.5 | 90% | 0.902 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66.8 | -20.6 | 178.1 | -60.9 | -172 | -174.8 | -162.8 | 2.3 | 113.1 | S38 C42 | S38-R40 PolarHBondContact O-N 3.21Å; S38-R40 VanDerWaalsContact O-N 3.12Å; S38-R40 PolarHBondContact OG-N 3.44Å; R40-C42 PolarHBondContact O-N 3.07Å |
| 41 | Q | 96.9 | Very high | 96.1 | Very high | 99 Ų | 99 | 76.7 Ų | 76.7 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -85 | 2.9 | 178.5 | -59.9 | 172.6 | 34.1 | 0 | 0 | 112.3 | V36 S38 W39 P43 | V36-Q41 HydrophobicContact CB-CB 3.99Å; V36-Q41 HydrophobicContact CG1-CB 4.02Å; V36-Q41 HydrophobicContact CG2-CB 4.15Å; S38-Q41 WeakPolarHBondContact O-CB 3.18Å; S38-Q41 PolarHBondContact O-N 3.41Å; W39-Q41 PolarHBondContact O-N 3.31Å; Q41-P43 WeakPolarHBondContact O-CD 3.48Å |
| 42 | C | 97.7 | Very high | 96 | Very high | 6 Ų | 6 | 78.3 Ų | 78.3 | 4% | 0.041 | 42% | 0.42 | C | S | . | . | trans | -102.8 | 99.6 | 176.3 | -50.1 | 0 | 0 | 0 | 0 | 108.5 | Y31 Q32 C33 W39 R40 K73 | Y31-C42 WeakPolarHBondContact CD1-O 3.07Å; Q32-C42 WeakPolarHBondContact O-CA 3.33Å; C33-C42 HydrophobicContact CB-CB 3.67Å; C33-C42 WeakPolarHBondContact CB-SG 3.34Å; C33-C42 WeakPolarHBondContact SG-CB 3.5Å; C33-C42 CovalentContact SG-SG 2.04Å; C33-C42 PolarHBondContact SG-SG 3.33Å; W39-C42 WeakPolarHBondContact O-CB 3.34Å; W39-C42 PolarHBondContact O-N 3.39Å; R40-C42 PolarHBondContact O-N 3.07Å; C42-K73 HydrophobicContact CB-CD 3.93Å | ||
| 43 | P | 97.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 76.6 Ų | 76.6 | 49% | 0.487 | 41% | 0.413 | S | S | . | . | trans | -71.9 | 155.2 | 173.1 | 29.1 | -37 | 0 | 0 | 0 | 112 | Y31 Q32 Q41 | Y31-P43 CarbonylContact C-O 3.59Å; Y31-P43 WeakPolarHBondContact CA-O 3.5Å; Q32-P43 PolarHBondContact N-O 3.48Å; Q32-P43 VanDerWaalsContact O-CD 3.29Å; Q32-P43 WeakPolarHBondContact O-CD 3.27Å; Q41-P43 WeakPolarHBondContact O-CD 3.48Å | ||
| 44 | P | 97.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 75.6 Ų | 75.6 | 52% | 0.519 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.7 | 167.4 | 31.3 | -33.2 | 0 | 0 | 0 | 110.2 | Y31 L107 | Y31-P44 HydrophobicContact CD1-CB 4.35Å; Y31-P44 HydrophobicContact CE1-CB 4.25Å; P44-L107 HydrophobicContact CB-CD2 3.55Å |
| 45 | T | 96.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 68.4 Ų | 68.4 | 36% | 0.362 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 140.1 | -177.2 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | S29 C30 Q32 | S29-T45 WeakPolarHBondContact CA-O 3.47Å; C30-T45 PolarHBondContact N-O 3.28Å; C30-T45 PolarHBondContact O-N 3.4Å; Q32-T45 VanDerWaalsContact NE2-CB 3.28Å |
| 46 | A | 96.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 140.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 47 | C | 96.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 63.4 Ų | 63.4 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 166.3 | 178.8 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | L28 C30 D51 C75 | L28-C47 HydrophobicContact CB-CB 4.13Å; L28-C47 HydrophobicContact CD2-CB 4.36Å; L28-C47 HydrophobicContact CG-CB 4.34Å; L28-C47 VanDerWaalsContact O-CB 3.27Å; L28-C47 WeakPolarHBondContact O-CB 3.47Å; L28-C47 PolarHBondContact O-N 3.11Å; L28-C47 PolarHBondContact O-SG 3.27Å; C30-C47 PolarHBondContact SG-SG 3.35Å; C47-D51 HydrophobicContact CB-CB 3.77Å; C47-C75 WeakPolarHBondContact CA-SG 3.45Å; C47-C75 HydrophobicContact CB-CB 3.55Å; C47-C75 WeakPolarHBondContact CB-SG 3.08Å; C47-C75 WeakPolarHBondContact SG-CB 3.02Å; C47-C75 CovalentContact SG-SG 2.03Å; C47-C75 PolarHBondContact SG-SG 2.63Å |
| 48 | S | 94.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 60.9 Ų | 60.9 | 40% | 0.399 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 150.3 | 169.9 | 177 | 0 | 0 | 0 | 0 | 110.4 | L50 D51 | S48-L50 PolarHBondContact O-N 2.73Å; S48-D51 VanDerWaalsContact CB-OD2 3.29Å; S48-D51 WeakPolarHBondContact CB-OD2 3.38Å; S48-D51 PolarHBondContact N-OD2 2.99Å; S48-D51 WeakPolarHBondContact O-CB 3Å; S48-D51 PolarHBondContact O-N 3.27Å |
| 49 | P | 91.5 | Very high | 95.9 | Very high | 94 Ų | 94 | 61.2 Ų | 61.2 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -23.5 | 174 | -27.5 | 35.9 | 0 | 0 | 0 | 114.8 | A25 | A25-P49 HydrophobicContact CB-CB 4.11Š|
| 50 | L | 92.2 | Very high | 96.1 | Very high | 135 Ų | 135 | 59.7 Ų | 59.7 | 71% | 0.707 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.5 | 177.5 | -64.1 | 174.1 | 0 | 0 | 0 | 113.1 | S48 P77 | S48-L50 PolarHBondContact O-N 2.73Å; L50-P77 WeakPolarHBondContact O-CA 3.47Å; L50-P77 WeakPolarHBondContact O-CB 3.35Å |
| 51 | D | 95 | Very high | 96.2 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | trans | -76.5 | 133.2 | -178.7 | -68.5 | -40.2 | 0 | 0 | 0 | 111 | L28 C47 S48 C75 A76 P77 | L28-D51 HydrophobicContact CD2-CB 4.44Å; C47-D51 HydrophobicContact CB-CB 3.77Å; S48-D51 VanDerWaalsContact CB-OD2 3.29Å; S48-D51 WeakPolarHBondContact CB-OD2 3.38Å; S48-D51 PolarHBondContact N-OD2 2.99Å; S48-D51 WeakPolarHBondContact O-CB 3Å; S48-D51 PolarHBondContact O-N 3.27Å; D51-C75 HydrophobicContact CB-CB 3.87Å; D51-C75 WeakPolarHBondContact OD2-CB 3.38Å; D51-A76 WeakPolarHBondContact CA-O 3.05Å; D51-A76 WeakPolarHBondContact OD1-CA 2.94Å; D51-A76 PolarHBondContact OD1-N 2.86Å; D51-P77 VanDerWaalsContact OD1-CD 3.31Å; D51-P77 WeakPolarHBondContact OD1-CD 3.36Å; D51-P77 VanDerWaalsContact OD1-N 3.14Å | ||
| 52 | Q | 94.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | trans | -119.6 | -14.5 | -178.6 | -58.4 | -160.3 | 0.1 | 0 | 0 | 113.5 | A76 | Q52-A76 PolarHBondContact N-O 3.38Š| ||
| 53 | V | 96 | Very high | 96.2 | Very high | 21 Ų | 21 | 51 Ų | 51 | 13% | 0.127 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.5 | -176 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | I55 A76 C103 | V53-I55 HydrophobicContact CG2-CG1 4.23Å; V53-A76 HydrophobicContact CG2-CB 4.05Å; V53-A76 WeakPolarHBondContact CG2-O 3.41Å; V53-A76 PolarHBondContact N-O 3.15Å; V53-A76 PolarHBondContact O-N 3Å; V53-C103 WeakPolarHBondContact CA-O 3.45Å |
| 54 | C | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.6 | 164.1 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | C30 C102 C103 N109 | C30-C54 HydrophobicContact CB-CB 3.75Å; C30-C54 WeakPolarHBondContact CB-SG 3.47Å; C30-C54 WeakPolarHBondContact SG-CA 3.48Å; C30-C54 WeakPolarHBondContact SG-CB 3.39Å; C30-C54 CovalentContact SG-SG 2.02Å; C30-C54 PolarHBondContact SG-SG 3.34Å; C54-C102 WeakPolarHBondContact O-CA 3.21Å; C54-C103 PolarHBondContact N-O 3.28Å; C54-C103 PolarHBondContact O-N 3.17Å; C54-C103 VanDerWaalsContact O-N 3.12Å; C54-N109 HydrophobicContact CB-CB 3.58Å; C54-N109 VanDerWaalsContact CB-CG 3.48Å |
| 55 | I | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.1 | 176.1 | -54.2 | -176.4 | 0 | 0 | 0 | 109.5 | V53 K73 R74 A76 P80 R100 R101 N109 | V53-I55 HydrophobicContact CG2-CG1 4.23Å; I55-K73 VanDerWaalsContact O-CA 3.24Å; I55-K73 WeakPolarHBondContact O-CA 3.31Å; I55-R74 HydrophobicContact CB-CG 4.24Å; I55-R74 PolarHBondContact N-O 2.84Å; I55-R74 PolarHBondContact O-N 2.93Å; I55-R74 VanDerWaalsContact O-N 3.16Å; I55-A76 HydrophobicContact CD1-CB 3.38Å; I55-A76 HydrophobicContact CG1-CB 3.96Å; I55-P80 HydrophobicContact CD1-CG 4.09Å; I55-R100 HydrophobicContact CG2-CG 4.3Å; I55-R101 CarbonylContact C-O 3.57Å; I55-R101 WeakPolarHBondContact CA-O 3.07Å; I55-N109 PolarHBondContact O-ND2 2.9Å |
| 56 | S | 97.2 | Very high | 95.8 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.9 | 163 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | K73 R100 R101 N109 | S56-K73 PolarHBondContact OG-NZ 3.19Å; S56-R100 CarbonylContact O-C 3.57Å; S56-R100 WeakPolarHBondContact O-CA 3.42Å; S56-R101 PolarHBondContact N-O 3.43Å; S56-R101 PolarHBondContact O-N 2.76Å; S56-N109 WeakPolarHBondContact OG-CB 3.36Å |
| 57 | N | 96.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 60 Ų | 60 | 24% | 0.235 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | 166.2 | -60.4 | -79.3 | 0 | 0 | 0 | 108.1 | L71 S72 T99 R100 | N57-L71 WeakPolarHBondContact O-CA 3.09Å; N57-S72 PolarHBondContact N-O 3.46Å; N57-S72 PolarHBondContact O-N 2.98Å; N57-T99 CarbonylContact C-O 3.54Å; N57-T99 WeakPolarHBondContact CA-O 3.36Å; N57-R100 WeakPolarHBondContact OD1-CG 3.29Å |
| 58 | E | 96.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 15% | 0.15 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125 | -179.2 | 174.8 | 170 | -152.5 | 0 | 0 | 108 | W39 V60 T69 L70 L71 I98 T99 R101 | W39-E58 WeakPolarHBondContact CZ2-OE1 3.11Å; E58-V60 HydrophobicContact CG-CG2 3.91Å; E58-T69 HydrophobicContact CG-CG2 4.12Å; E58-L70 WeakPolarHBondContact CA-O 3.12Å; E58-L71 HydrophobicContact CB-CD2 3.84Å; E58-L71 HydrophobicContact CG-CD2 3.7Å; E58-I98 CarbonylContact O-C 3.5Å; E58-I98 WeakPolarHBondContact O-CA 3.06Å; E58-T99 PolarHBondContact N-O 3.03Å; E58-T99 PolarHBondContact O-N 3.3Å; E58-R101 IonicContact OE2-NH2 3.7Å; E58-R101 PolarHBondContact OE2-NH2 3.16Å |
| 59 | V | 97.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 63.2 Ų | 63.2 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116.1 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 106.1 | V61 T69 L70 W88 V97 I98 | V59-V61 HydrophobicContact CG1-CG2 4.09Å; V59-T69 CarbonylContact O-C 3.59Å; V59-T69 VanDerWaalsContact O-CA 3.28Å; V59-T69 WeakPolarHBondContact O-CA 3.03Å; V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 PolarHBondContact N-O 2.79Å; V59-L70 PolarHBondContact O-N 2.81Å; V59-W88 HydrophobicContact CG1-CH2 4.18Å; V59-V97 CarbonylContact C-O 3.53Å; V59-V97 WeakPolarHBondContact CA-O 3.35Å; V59-I98 HydrophobicContact CG2-CG1 3.95Å |
| 60 | V | 96.9 | Very high | 96 | Very high | 30 Ų | 30 | 62.7 Ų | 62.7 | 18% | 0.182 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | E58 V67 H68 T69 G96 V97 | E58-V60 HydrophobicContact CG-CG2 3.91Å; V60-V67 HydrophobicContact CG1-CG1 3.6Å; V60-H68 CarbonylContact C-O 3.55Å; V60-H68 WeakPolarHBondContact CA-O 3.1Å; V60-T69 HydrophobicContact CG2-CG2 4.24Å; V60-G96 CarbonylContact O-C 3.56Å; V60-G96 WeakPolarHBondContact O-CA 3.33Å; V60-V97 HydrophobicContact CB-CB 4.49Å; V60-V97 PolarHBondContact N-O 2.98Å; V60-V97 PolarHBondContact O-N 3.38Å |
| 61 | V | 97.1 | Very high | 96.3 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 19% | 0.194 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.9 | 172.4 | -172.8 | 0 | 0 | 0 | 0 | 107.4 | V59 F63 H68 W88 V94 Q95 | V59-V61 HydrophobicContact CG1-CG2 4.09Å; V61-F63 HydrophobicContact CB-CE2 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.27Å; V61-F63 HydrophobicContact CG1-CE1 4.48Å; V61-F63 HydrophobicContact CG1-CE2 3.55Å; V61-F63 HydrophobicContact CG1-CZ 3.68Å; V61-H68 PolarHBondContact N-O 3.09Å; V61-H68 PolarHBondContact O-N 2.89Å; V61-W88 HydrophobicContact CG2-CZ2 4.47Å; V61-V94 HydrophobicContact CG1-CG1 3.74Å; V61-Q95 CarbonylContact C-O 3.58Å; V61-Q95 WeakPolarHBondContact CA-O 3.45Å |
| 62 | S | 97.2 | Very high | 96.4 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.5 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 108.9 | V94 Q95 | S62-V94 CarbonylContact O-C 3.54Å; S62-V94 WeakPolarHBondContact O-CA 3.37Å; S62-Q95 PolarHBondContact N-O 3.05Å; S62-Q95 PolarHBondContact O-N 3.22Å |
| 63 | F | 95.9 | Very high | 96.6 | Very high | 93 Ų | 93 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | trans | -105.6 | 175.3 | 167.4 | -58.7 | -95.5 | 0 | 0 | 0 | 108.1 | V61 W65 S66 H68 V94 | V61-F63 HydrophobicContact CB-CE2 4.14Å; V61-F63 HydrophobicContact CG1-CD2 4.27Å; V61-F63 HydrophobicContact CG1-CE1 4.48Å; V61-F63 HydrophobicContact CG1-CE2 3.55Å; V61-F63 HydrophobicContact CG1-CZ 3.68Å; F63-W65 PolarHBondContact O-N 2.74Å; F63-S66 PolarHBondContact N-O 3.33Å; F63-H68 AromaticContact CD2-CD2 3.63Å; F63-H68 AromaticContact CE2-CD2 3.45Å; F63-H68 VanDerWaalsContact CE2-CD2 3.45Å; F63-H68 WeakPolarHBondContact CE2-CD2 3.24Å; F63-V94 HydrophobicContact CD1-CG1 4.19Å; F63-V94 HydrophobicContact CD1-CG2 3.72Å; F63-V94 HydrophobicContact CE1-CG1 4.03Å; F63-V94 HydrophobicContact CE1-CG2 4Å; F63-V94 HydrophobicContact CZ-CG1 4.48Å | ||
| 64 | E | 93.9 | Very high | 96.7 | Very high | 125 Ų | 125 | 57 Ų | 57 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -54.8 | -38.3 | 179.4 | -168.4 | -179.4 | -172.9 | 0 | 0 | 113.2 | ||
| 65 | W | 94.4 | Very high | 96.7 | Very high | 220 Ų | 220 | 57.7 Ų | 57.7 | 83% | 0.833 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -120.5 | -3 | -173.3 | -52 | 101.5 | 0 | 0 | 0 | 114.4 | F63 | F63-W65 PolarHBondContact O-N 2.74Š|
| 66 | S | 95.7 | Very high | 96.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | trans | -146.7 | 156.5 | -174.7 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | F63 H68 | F63-S66 PolarHBondContact N-O 3.33Å; S66-H68 PolarHBondContact OG-NE2 2.82Å | ||
| 67 | V | 95.7 | Very high | 96.5 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.6 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | V60 | V60-V67 HydrophobicContact CG1-CG1 3.6Å |
| 68 | H | 96.1 | Very high | 96.4 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 51% | 0.514 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 132.7 | 176.1 | -65.9 | -91.9 | 0 | 0 | 0 | 109.4 | V60 V61 F63 S66 | V60-H68 CarbonylContact C-O 3.55Å; V60-H68 WeakPolarHBondContact CA-O 3.1Å; V61-H68 PolarHBondContact N-O 3.09Å; V61-H68 PolarHBondContact O-N 2.89Å; F63-H68 AromaticContact CD2-CD2 3.63Å; F63-H68 AromaticContact CE2-CD2 3.45Å; F63-H68 VanDerWaalsContact CE2-CD2 3.45Å; F63-H68 WeakPolarHBondContact CE2-CD2 3.24Å; S66-H68 PolarHBondContact OG-NE2 2.82Å |
| 69 | T | 95.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.6 | 177 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | S37 E58 V59 V60 L71 | S37-T69 WeakPolarHBondContact CA-O 3.48Å; E58-T69 HydrophobicContact CG-CG2 4.12Å; V59-T69 CarbonylContact O-C 3.59Å; V59-T69 VanDerWaalsContact O-CA 3.28Å; V59-T69 WeakPolarHBondContact O-CA 3.03Å; V60-T69 HydrophobicContact CG2-CG2 4.24Å; T69-L71 HydrophobicContact CG2-CD2 3.93Å; T69-L71 HydrophobicContact CG2-CG 4.01Å |
| 70 | L | 97.7 | Very high | 95.7 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.4 | 169.5 | -69.5 | 168.7 | 0 | 0 | 0 | 109.5 | K35 V36 E58 V59 | K35-L70 HydrophobicContact CB-CD2 4.49Å; V36-L70 WeakPolarHBondContact O-CA 3.32Å; E58-L70 WeakPolarHBondContact CA-O 3.12Å; V59-L70 HydrophobicContact CB-CB 4.22Å; V59-L70 PolarHBondContact N-O 2.79Å; V59-L70 PolarHBondContact O-N 2.81Å |
| 71 | L | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.6 | -175.4 | -60.6 | 168.1 | 0 | 0 | 0 | 109.7 | K35 V36 W39 N57 E58 T69 | K35-L71 WeakPolarHBondContact CA-O 3.29Å; K35-L71 PolarHBondContact N-O 2.86Å; V36-L71 HydrophobicContact CG2-CB 3.96Å; V36-L71 PolarHBondContact N-O 2.72Å; V36-L71 PolarHBondContact O-N 2.89Å; W39-L71 HydrophobicContact CB-CD1 4.33Å; W39-L71 HydrophobicContact CD2-CD1 3.54Å; W39-L71 HydrophobicContact CD2-CD2 4.15Å; W39-L71 HydrophobicContact CD2-CG 4.48Å; W39-L71 HydrophobicContact CE3-CD1 4.02Å; W39-L71 HydrophobicContact CE3-CD2 4.19Å; W39-L71 HydrophobicContact CG-CD1 3.66Å; W39-L71 HydrophobicContact CH2-CD2 3.53Å; W39-L71 HydrophobicContact CZ2-CD1 4.32Å; W39-L71 HydrophobicContact CZ2-CD2 3.51Å; W39-L71 HydrophobicContact CZ3-CD2 3.85Å; N57-L71 WeakPolarHBondContact O-CA 3.09Å; E58-L71 HydrophobicContact CB-CD2 3.84Å; E58-L71 HydrophobicContact CG-CD2 3.7Å; T69-L71 HydrophobicContact CG2-CD2 3.93Å; T69-L71 HydrophobicContact CG2-CG 4.01Å |
| 72 | S | 97.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 76 Ų | 76 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 129 | 169.7 | -59.2 | 0 | 0 | 0 | 0 | 109.7 | C33 K35 N57 | C33-S72 CarbonylContact O-C 3.51Å; C33-S72 WeakPolarHBondContact O-CA 3.36Å; K35-S72 PolarHBondContact N-OG 3.24Å; N57-S72 PolarHBondContact N-O 3.46Å; N57-S72 PolarHBondContact O-N 2.98Å |
| 73 | K | 98.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 78.8 Ų | 78.8 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.2 | -179.1 | -59.5 | 176.8 | 174.7 | -78.5 | 0 | 110.7 | Y31 Q32 C33 W39 C42 I55 S56 N109 | Y31-K73 WeakPolarHBondContact O-CB 3.43Å; Q32-K73 WeakPolarHBondContact CA-O 3.04Å; C33-K73 PolarHBondContact N-O 3.2Å; C33-K73 PolarHBondContact O-N 3Å; W39-K73 VanDerWaalsContact CE3-NZ 3.34Å; C42-K73 HydrophobicContact CB-CD 3.93Å; I55-K73 VanDerWaalsContact O-CA 3.24Å; I55-K73 WeakPolarHBondContact O-CA 3.31Å; S56-K73 PolarHBondContact OG-NZ 3.19Å; K73-N109 PolarHBondContact NZ-O 2.72Å |
| 74 | R | 97.7 | Very high | 94.2 | Very high | 127 Ų | 127 | 77 Ų | 77 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 162.9 | -179.4 | 63.4 | 178 | -170.1 | -133.2 | 4.6 | 111.7 | I55 | I55-R74 HydrophobicContact CB-CG 4.24Å; I55-R74 PolarHBondContact N-O 2.84Å; I55-R74 PolarHBondContact O-N 2.93Å; I55-R74 VanDerWaalsContact O-N 3.16Å |
| 75 | C | 97.5 | Very high | 94.3 | Very high | 13 Ų | 13 | 77.5 Ų | 77.5 | 9% | 0.088 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 155.7 | 160.9 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | Q32 C47 D51 | Q32-C75 PolarHBondContact NE2-SG 3.13Å; C47-C75 WeakPolarHBondContact CA-SG 3.45Å; C47-C75 HydrophobicContact CB-CB 3.55Å; C47-C75 WeakPolarHBondContact CB-SG 3.08Å; C47-C75 WeakPolarHBondContact SG-CB 3.02Å; C47-C75 CovalentContact SG-SG 2.03Å; C47-C75 PolarHBondContact SG-SG 2.63Å; D51-C75 HydrophobicContact CB-CB 3.87Å; D51-C75 WeakPolarHBondContact OD2-CB 3.38Å |
| 76 | A | 96.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 73 Ų | 73 | 7% | 0.066 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 154.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D51 Q52 V53 I55 R78 | D51-A76 WeakPolarHBondContact CA-O 3.05Å; D51-A76 WeakPolarHBondContact OD1-CA 2.94Å; D51-A76 PolarHBondContact OD1-N 2.86Å; Q52-A76 PolarHBondContact N-O 3.38Å; V53-A76 HydrophobicContact CG2-CB 4.05Å; V53-A76 WeakPolarHBondContact CG2-O 3.41Å; V53-A76 PolarHBondContact N-O 3.15Å; V53-A76 PolarHBondContact O-N 3Å; I55-A76 HydrophobicContact CD1-CB 3.38Å; I55-A76 HydrophobicContact CG1-CB 3.96Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 3.48Å |
| 77 | P | 95 | Very high | 94.5 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -67.6 | -28.9 | 175.8 | 26 | -34.5 | 0 | 0 | 0 | 112.5 | L50 D51 | L50-P77 WeakPolarHBondContact O-CA 3.47Å; L50-P77 WeakPolarHBondContact O-CB 3.35Å; D51-P77 VanDerWaalsContact OD1-CD 3.31Å; D51-P77 WeakPolarHBondContact OD1-CD 3.36Å; D51-P77 VanDerWaalsContact OD1-N 3.14Å |
| 78 | R | 93.7 | Very high | 94.5 | Very high | 189 Ų | 189 | 75.3 Ų | 75.3 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -151.9 | 159 | 177.3 | 62 | -179.8 | -177.8 | 141.4 | -0.6 | 110.9 | A76 | A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 3.48Å |
| 79 | C | 93.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 75 Ų | 75 | 22% | 0.216 | 38% | 0.38 | C | S | . | . | trans | -73.2 | 128.4 | 168.6 | -166.3 | 0 | 0 | 0 | 0 | 108.8 | N81 C102 | C79-N81 VanDerWaalsContact CB-O 3.29Å; C79-N81 WeakPolarHBondContact CB-O 3.29Å; C79-N81 PolarHBondContact O-N 3.43Å; C79-N81 PolarHBondContact SG-O 2.86Å; C79-C102 HydrophobicContact CB-CB 3.6Å; C79-C102 WeakPolarHBondContact CB-SG 3.34Å; C79-C102 WeakPolarHBondContact SG-CB 3.34Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 2.03Å | ||
| 80 | P | 86.2 | Confident | 94.3 | Very high | 55 Ų | 55 | 76.8 Ų | 76.8 | 36% | 0.357 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -57.6 | -32.7 | -176 | -27.2 | 33.6 | 0 | 0 | 0 | 114.1 | I55 | I55-P80 HydrophobicContact CD1-CG 4.09Š|
| 81 | N | 84.9 | Confident | 94 | Very high | 110 Ų | 110 | 74.9 Ų | 74.9 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -147.6 | -143.6 | 162.7 | -48.6 | -84.9 | 0 | 0 | 0 | 108 | C79 R100 | C79-N81 VanDerWaalsContact CB-O 3.29Å; C79-N81 WeakPolarHBondContact CB-O 3.29Å; C79-N81 PolarHBondContact O-N 3.43Å; C79-N81 PolarHBondContact SG-O 2.86Å; N81-R100 PolarHBondContact ND2-NH1 2.87Å |
| 82 | T | 86 | Confident | 93.8 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 66% | 0.656 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -81.8 | 176.3 | 168.9 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | R100 | T82-R100 PolarHBondContact O-NE 3.45Å; T82-R100 PolarHBondContact O-NH2 2.85Å |
| 83 | N | 90.6 | Very high | 93.6 | Very high | 94 Ų | 94 | 83.9 Ų | 83.9 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | trans | -60.9 | 135 | 166.5 | -67.6 | -20.3 | 0 | 0 | 0 | 109.5 | R100 R101 C102 | N83-R100 WeakPolarHBondContact CA-O 3.43Å; N83-R101 WeakPolarHBondContact OD1-CA 3.35Å; N83-C102 PolarHBondContact OD1-N 3.28Å | ||
| 84 | T | 94.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 84.4 Ų | 84.4 | 34% | 0.344 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146 | -174.9 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | T99 R100 | T84-T99 WeakPolarHBondContact O-CA 3.44Å; T84-R100 PolarHBondContact N-O 2.98Å; T84-R100 PolarHBondContact O-N 2.04Å; T84-R100 PolarHBondContact OG1-NH2 2.03Å |
| 85 | K | 95.8 | Very high | 93.5 | Very high | 135 Ų | 135 | 84.6 Ų | 84.6 | 59% | 0.587 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.5 | 167.4 | -172.4 | -174.4 | -175.6 | -155.1 | 0 | 107.3 | E87 V97 I98 | K85-E87 WeakPolarHBondContact CE-OE1 3.5Å; K85-E87 IonicContact NZ-OE1 2.64Å; K85-E87 PolarHBondContact NZ-OE1 3.39Å; K85-V97 HydrophobicContact CD-CG1 4.38Å; K85-V97 HydrophobicContact CG-CG1 3.88Å; K85-I98 CarbonylContact C-O 3.55Å; K85-I98 WeakPolarHBondContact CA-O 3.28Å |
| 86 | F | 95.8 | Very high | 93.5 | Very high | 125 Ų | 125 | 84 Ų | 84 | 55% | 0.548 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.5 | 177.9 | 176.9 | -101.8 | 0 | 0 | 0 | 108.6 | W88 V97 I98 | F86-W88 HydrophobicContact CD1-CD2 4.46Å; F86-W88 AromaticContact CD1-CE3 3.58Å; F86-W88 HydrophobicContact CD1-CE3 3.58Å; F86-W88 HydrophobicContact CD1-CZ3 4.19Å; F86-W88 HydrophobicContact CE1-CB 3.8Å; F86-W88 HydrophobicContact CE1-CD2 4.21Å; F86-W88 AromaticContact CE1-CE3 3.76Å; F86-W88 HydrophobicContact CE1-CE3 3.76Å; F86-W88 HydrophobicContact CE1-CG 4.25Å; F86-W88 HydrophobicContact CZ-CB 4.23Å; F86-V97 CarbonylContact O-C 3.56Å; F86-V97 WeakPolarHBondContact O-CA 3.35Å; F86-I98 HydrophobicContact CB-CB 4.4Å; F86-I98 HydrophobicContact CD1-CD1 4.36Å; F86-I98 PolarHBondContact N-O 3.12Å; F86-I98 PolarHBondContact O-N 3.41Å |
| 87 | E | 97.6 | Very high | 93.5 | Very high | 119 Ų | 119 | 85.2 Ų | 85.2 | 56% | 0.556 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.6 | -179.5 | -58.7 | -178.4 | -178.7 | 0 | 0 | 108.5 | K85 G96 V97 | K85-E87 WeakPolarHBondContact CE-OE1 3.5Å; K85-E87 IonicContact NZ-OE1 2.64Å; K85-E87 PolarHBondContact NZ-OE1 3.39Å; E87-G96 CarbonylContact C-O 3.54Å; E87-G96 VanDerWaalsContact CA-O 3.32Å; E87-G96 WeakPolarHBondContact CA-O 3.44Å; E87-V97 HydrophobicContact CG-CG1 4.28Å; E87-V97 HydrophobicContact CG-CG2 4.17Å |
| 88 | W | 96.9 | Very high | 93.6 | Very high | 68 Ų | 68 | 84.7 Ų | 84.7 | 26% | 0.258 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 159.9 | 175.3 | 73.6 | 98.2 | 0 | 0 | 0 | 111.5 | V59 V61 F86 P90 G96 I98 | V59-W88 HydrophobicContact CG1-CH2 4.18Å; V61-W88 HydrophobicContact CG2-CZ2 4.47Å; F86-W88 HydrophobicContact CD1-CD2 4.46Å; F86-W88 AromaticContact CD1-CE3 3.58Å; F86-W88 HydrophobicContact CD1-CE3 3.58Å; F86-W88 HydrophobicContact CD1-CZ3 4.19Å; F86-W88 HydrophobicContact CE1-CB 3.8Å; F86-W88 HydrophobicContact CE1-CD2 4.21Å; F86-W88 AromaticContact CE1-CE3 3.76Å; F86-W88 HydrophobicContact CE1-CE3 3.76Å; F86-W88 HydrophobicContact CE1-CG 4.25Å; F86-W88 HydrophobicContact CZ-CB 4.23Å; W88-P90 VanDerWaalsContact CD1-CD 3.47Å; W88-G96 VanDerWaalsContact CE3-C 3.49Å; W88-G96 VanDerWaalsContact CZ3-C 3.42Å; W88-G96 PolarHBondContact N-O 2.9Å; W88-G96 PolarHBondContact O-N 3.06Å; W88-I98 HydrophobicContact CE3-CD1 4.07Å; W88-I98 HydrophobicContact CE3-CG1 4.42Å; W88-I98 HydrophobicContact CH2-CB 4.38Å; W88-I98 HydrophobicContact CH2-CD1 3.54Å; W88-I98 HydrophobicContact CH2-CG1 3.46Å; W88-I98 VanDerWaalsContact CH2-CG1 3.46Å; W88-I98 HydrophobicContact CZ2-CD1 4.42Å; W88-I98 HydrophobicContact CZ3-CB 3.78Å; W88-I98 HydrophobicContact CZ3-CD1 3.29Å; W88-I98 HydrophobicContact CZ3-CG1 3.29Å; W88-I98 VanDerWaalsContact CZ3-N 3.29Å |
| 89 | T | 96.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 76.8 Ų | 76.8 | 64% | 0.644 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 92.1 | 180 | -53.4 | 0 | 0 | 0 | 0 | 107.8 | A91 V94 | T89-A91 VanDerWaalsContact C-N 3.32Å; T89-A91 WeakPolarHBondContact CG2-O 3.44Å; T89-A91 PolarHBondContact O-N 2.02Å; T89-V94 WeakPolarHBondContact CG2-O 3.34Å |
| 90 | P | 89.8 | Confident | 93.8 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -23 | -173.5 | 29.7 | -33.6 | 0 | 0 | 0 | 113.1 | W88 V94 | W88-P90 VanDerWaalsContact CD1-CD 3.47Å; P90-V94 WeakPolarHBondContact CD-O 3.35Å; P90-V94 HydrophobicContact CG-CB 4.01Å; P90-V94 HydrophobicContact CG-CG1 3.53Å |
| 91 | A | 93 | Very high | 94.2 | Very high | 42 Ų | 42 | 79.4 Ų | 79.4 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T89 T93 V94 | T89-A91 VanDerWaalsContact C-N 3.32Å; T89-A91 WeakPolarHBondContact CG2-O 3.44Å; T89-A91 PolarHBondContact O-N 2.02Å; A91-T93 PolarHBondContact O-N 2.91Å; A91-V94 HydrophobicContact CB-CB 4.22Å; A91-V94 HydrophobicContact CB-CG2 3.99Å; A91-V94 PolarHBondContact O-N 3.34Å; A91-V94 VanDerWaalsContact O-N 3.11Å |
| 92 | P | 93.5 | Very high | 94.8 | Very high | 115 Ų | 115 | 75 Ų | 75 | 75% | 0.747 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 139.9 | 167.4 | -24.4 | 34.5 | 0 | 0 | 0 | 110.3 | V94 | P92-V94 PolarHBondContact O-N 2.91Š|
| 93 | T | 93.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 7.2 | -177.7 | 70.6 | 0 | 0 | 0 | 0 | 116.7 | A91 | A91-T93 PolarHBondContact O-N 2.91Š|
| 94 | V | 95.9 | Very high | 95.3 | Very high | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.7 | 173.5 | -173.2 | 0 | 0 | 0 | 0 | 110 | V61 S62 F63 T89 P90 A91 P92 | V61-V94 HydrophobicContact CG1-CG1 3.74Å; S62-V94 CarbonylContact O-C 3.54Å; S62-V94 WeakPolarHBondContact O-CA 3.37Å; F63-V94 HydrophobicContact CD1-CG1 4.19Å; F63-V94 HydrophobicContact CD1-CG2 3.72Å; F63-V94 HydrophobicContact CE1-CG1 4.03Å; F63-V94 HydrophobicContact CE1-CG2 4Å; F63-V94 HydrophobicContact CZ-CG1 4.48Å; T89-V94 WeakPolarHBondContact CG2-O 3.34Å; P90-V94 WeakPolarHBondContact CD-O 3.35Å; P90-V94 HydrophobicContact CG-CB 4.01Å; P90-V94 HydrophobicContact CG-CG1 3.53Å; A91-V94 HydrophobicContact CB-CB 4.22Å; A91-V94 HydrophobicContact CB-CG2 3.99Å; A91-V94 PolarHBondContact O-N 3.34Å; A91-V94 VanDerWaalsContact O-N 3.11Å; P92-V94 PolarHBondContact O-N 2.91Å |
| 95 | Q | 97.3 | Very high | 95.2 | Very high | 130 Ų | 130 | 70 Ų | 70 | 61% | 0.607 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.1 | 176.2 | -65 | 179.2 | 4.8 | 0 | 0 | 109.9 | V61 S62 | V61-Q95 CarbonylContact C-O 3.58Å; V61-Q95 WeakPolarHBondContact CA-O 3.45Å; S62-Q95 PolarHBondContact N-O 3.05Å; S62-Q95 PolarHBondContact O-N 3.22Å |
| 96 | G | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 140.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V60 E87 W88 | V60-G96 CarbonylContact O-C 3.56Å; V60-G96 WeakPolarHBondContact O-CA 3.33Å; E87-G96 CarbonylContact C-O 3.54Å; E87-G96 VanDerWaalsContact CA-O 3.32Å; E87-G96 WeakPolarHBondContact CA-O 3.44Å; W88-G96 VanDerWaalsContact CE3-C 3.49Å; W88-G96 VanDerWaalsContact CZ3-C 3.42Å; W88-G96 PolarHBondContact N-O 2.9Å; W88-G96 PolarHBondContact O-N 3.06Å |
| 97 | V | 97.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.4 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 110 | V59 V60 K85 F86 E87 | V59-V97 CarbonylContact C-O 3.53Å; V59-V97 WeakPolarHBondContact CA-O 3.35Å; V60-V97 HydrophobicContact CB-CB 4.49Å; V60-V97 PolarHBondContact N-O 2.98Å; V60-V97 PolarHBondContact O-N 3.38Å; K85-V97 HydrophobicContact CD-CG1 4.38Å; K85-V97 HydrophobicContact CG-CG1 3.88Å; F86-V97 CarbonylContact O-C 3.56Å; F86-V97 WeakPolarHBondContact O-CA 3.35Å; E87-V97 HydrophobicContact CG-CG1 4.28Å; E87-V97 HydrophobicContact CG-CG2 4.17Å |
| 98 | I | 95.9 | Very high | 95.1 | Very high | 66 Ų | 66 | 60 Ų | 60 | 34% | 0.338 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117 | 174.5 | -80.4 | 151.2 | 0 | 0 | 0 | 105.7 | E58 V59 K85 F86 W88 | E58-I98 CarbonylContact O-C 3.5Å; E58-I98 WeakPolarHBondContact O-CA 3.06Å; V59-I98 HydrophobicContact CG2-CG1 3.95Å; K85-I98 CarbonylContact C-O 3.55Å; K85-I98 WeakPolarHBondContact CA-O 3.28Å; F86-I98 HydrophobicContact CB-CB 4.4Å; F86-I98 HydrophobicContact CD1-CD1 4.36Å; F86-I98 PolarHBondContact N-O 3.12Å; F86-I98 PolarHBondContact O-N 3.41Å; W88-I98 HydrophobicContact CE3-CD1 4.07Å; W88-I98 HydrophobicContact CE3-CG1 4.42Å; W88-I98 HydrophobicContact CH2-CB 4.38Å; W88-I98 HydrophobicContact CH2-CD1 3.54Å; W88-I98 HydrophobicContact CH2-CG1 3.46Å; W88-I98 VanDerWaalsContact CH2-CG1 3.46Å; W88-I98 HydrophobicContact CZ2-CD1 4.42Å; W88-I98 HydrophobicContact CZ3-CB 3.78Å; W88-I98 HydrophobicContact CZ3-CD1 3.29Å; W88-I98 HydrophobicContact CZ3-CG1 3.29Å; W88-I98 VanDerWaalsContact CZ3-N 3.29Å |
| 99 | T | 95.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.1 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | N57 E58 T84 R101 | N57-T99 CarbonylContact C-O 3.54Å; N57-T99 WeakPolarHBondContact CA-O 3.36Å; E58-T99 PolarHBondContact N-O 3.03Å; E58-T99 PolarHBondContact O-N 3.3Å; T84-T99 WeakPolarHBondContact O-CA 3.44Å; T99-R101 HydrophobicContact CG2-CG 4.07Å |
| 100 | R | 95.7 | Very high | 95 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 14% | 0.143 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.1 | 168.1 | -177 | 179.8 | 67.6 | -131.7 | -11.3 | 109.3 | I55 S56 N57 N81 T82 N83 T84 | I55-R100 HydrophobicContact CG2-CG 4.3Å; S56-R100 CarbonylContact O-C 3.57Å; S56-R100 WeakPolarHBondContact O-CA 3.42Å; N57-R100 WeakPolarHBondContact OD1-CG 3.29Å; N81-R100 PolarHBondContact ND2-NH1 2.87Å; T82-R100 PolarHBondContact O-NE 3.45Å; T82-R100 PolarHBondContact O-NH2 2.85Å; N83-R100 WeakPolarHBondContact CA-O 3.43Å; T84-R100 PolarHBondContact N-O 2.98Å; T84-R100 PolarHBondContact O-N 2.04Å; T84-R100 PolarHBondContact OG1-NH2 2.03Å |
| 101 | R | 95.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 39% | 0.389 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.9 | 174 | -73.6 | -179.8 | -84.7 | 168.3 | -6.8 | 110.4 | I55 S56 E58 N83 T99 | I55-R101 CarbonylContact C-O 3.57Å; I55-R101 WeakPolarHBondContact CA-O 3.07Å; S56-R101 PolarHBondContact N-O 3.43Å; S56-R101 PolarHBondContact O-N 2.76Å; E58-R101 IonicContact OE2-NH2 3.7Å; E58-R101 PolarHBondContact OE2-NH2 3.16Å; N83-R101 WeakPolarHBondContact OD1-CA 3.35Å; T99-R101 HydrophobicContact CG2-CG 4.07Å |
| 102 | C | 96 | Very high | 94.2 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144 | 173 | -67 | 0 | 0 | 0 | 0 | 109.2 | C54 C79 N83 | C54-C102 WeakPolarHBondContact O-CA 3.21Å; C79-C102 HydrophobicContact CB-CB 3.6Å; C79-C102 WeakPolarHBondContact CB-SG 3.34Å; C79-C102 WeakPolarHBondContact SG-CB 3.34Å; C79-C102 CovalentContact SG-SG 2.02Å; C79-C102 PolarHBondContact SG-SG 2.03Å; N83-C102 PolarHBondContact OD1-N 3.28Å |
| 103 | C | 95.1 | Very high | 93.2 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.6 | 175.2 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | V53 C54 C108 N109 | V53-C103 WeakPolarHBondContact CA-O 3.45Å; C54-C103 PolarHBondContact N-O 3.28Å; C54-C103 PolarHBondContact O-N 3.17Å; C54-C103 VanDerWaalsContact O-N 3.12Å; C103-C108 HydrophobicContact CB-CB 3.8Å; C103-C108 WeakPolarHBondContact CB-SG 3.35Å; C103-C108 PolarHBondContact O-SG 3.22Å; C103-C108 VanDerWaalsContact O-SG 3.39Å; C103-C108 WeakPolarHBondContact SG-CB 3.36Å; C103-C108 CovalentContact SG-SG 2.03Å; C103-C108 PolarHBondContact SG-SG 2.99Å; C103-N109 PolarHBondContact SG-N 3.33Å; C103-N109 VanDerWaalsContact SG-N 3.43Å |
| 104 | S | 91.6 | Very high | 91.5 | Very high | 87 Ų | 87 | 55.5 Ų | 55.5 | 61% | 0.608 | 32% | 0.321 | S | S | * | . | trans | -111.1 | 114.9 | 176 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 105 | G | 93.2 | Very high | 89.3 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 151.2 | 150 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L28 L107 C108 | L28-G105 WeakPolarHBondContact CD1-O 3.38Å; G105-L107 PolarHBondContact O-N 2.79Å; G105-C108 WeakPolarHBondContact O-CB 3.33Å; G105-C108 PolarHBondContact O-N 2.98Å; G105-C108 PolarHBondContact O-SG 3.47Å |
| 106 | A | 95.6 | Very high | 87.1 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 56% | 0.562 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 130.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S29 C108 | S29-A106 CarbonylContact O-C 3.59Å; S29-A106 WeakPolarHBondContact O-CA 3.45Å; A106-C108 PolarHBondContact O-N 3.36Å |
| 107 | L | 96 | Very high | 84.9 | Confident | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.304 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 20.1 | 177.2 | -52.8 | -179.2 | 0 | 0 | 0 | 114.5 | S29 Y31 P44 G105 N109 R110 | S29-L107 PolarHBondContact O-N 3.18Å; S29-L107 WeakPolarHBondContact OG-CD2 3.37Å; Y31-L107 HydrophobicContact CD2-CB 4.41Å; Y31-L107 HydrophobicContact CD2-CD2 4.43Å; Y31-L107 HydrophobicContact CE2-CB 3.85Å; Y31-L107 HydrophobicContact CE2-CD2 4.25Å; P44-L107 HydrophobicContact CB-CD2 3.55Å; G105-L107 PolarHBondContact O-N 2.79Å; L107-N109 PolarHBondContact O-N 2.85Å; L107-N109 VanDerWaalsContact O-N 3.17Å; L107-R110 PolarHBondContact O-N 3.12Å |
| 108 | C | 95.5 | Very high | 82.3 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24 | -175.5 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | C103 G105 A106 R110 | C103-C108 HydrophobicContact CB-CB 3.8Å; C103-C108 WeakPolarHBondContact CB-SG 3.35Å; C103-C108 PolarHBondContact O-SG 3.22Å; C103-C108 VanDerWaalsContact O-SG 3.39Å; C103-C108 WeakPolarHBondContact SG-CB 3.36Å; C103-C108 CovalentContact SG-SG 2.03Å; C103-C108 PolarHBondContact SG-SG 2.99Å; G105-C108 WeakPolarHBondContact O-CB 3.33Å; G105-C108 PolarHBondContact O-N 2.98Å; G105-C108 PolarHBondContact O-SG 3.47Å; A106-C108 PolarHBondContact O-N 3.36Å; C108-R110 PolarHBondContact O-N 2.87Å; C108-R110 VanDerWaalsContact O-N 3.13Å |
| 109 | N | 96.4 | Very high | 80 | Confident | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 39.1 | 176.8 | 74.5 | -27.1 | 0 | 0 | 0 | 112.2 | Y31 C54 I55 S56 K73 C103 L107 | Y31-N109 WeakPolarHBondContact CD2-OD1 3.47Å; Y31-N109 PolarHBondContact N-OD1 3.39Å; Y31-N109 PolarHBondContact O-ND2 2.02Å; C54-N109 HydrophobicContact CB-CB 3.58Å; C54-N109 VanDerWaalsContact CB-CG 3.48Å; I55-N109 PolarHBondContact O-ND2 2.9Å; S56-N109 WeakPolarHBondContact OG-CB 3.36Å; K73-N109 PolarHBondContact NZ-O 2.72Å; C103-N109 PolarHBondContact SG-N 3.33Å; C103-N109 VanDerWaalsContact SG-N 3.43Å; L107-N109 PolarHBondContact O-N 2.85Å; L107-N109 VanDerWaalsContact O-N 3.17Å |
| 110 | R | 94.3 | Very high | 77.8 | Confident | 132 Ų | 132 | 75 Ų | 75 | 50% | 0.498 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 172.2 | 175.1 | 63.2 | -179 | -174.6 | 180 | 1.9 | 112.4 | Y31 L107 C108 E116 | Y31-R110 HydrophobicContact CD2-CB 4.13Å; Y31-R110 HydrophobicContact CE2-CB 3.59Å; L107-R110 PolarHBondContact O-N 3.12Å; C108-R110 PolarHBondContact O-N 2.87Å; C108-R110 VanDerWaalsContact O-N 3.13Å; R110-E116 IonicContact NH2-OE1 3.18Å |
| 111 | A | 88.2 | Confident | 75.7 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 144.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | W39 T113 | W39-A111 HydrophobicContact CB-CB 3.78Å; W39-A111 HydrophobicContact CD2-CB 4.08Å; W39-A111 HydrophobicContact CE3-CB 4.4Å; W39-A111 HydrophobicContact CG-CB 3.83Å; A111-T113 PolarHBondContact O-N 3.44Å |
| 112 | P | 78.8 | Confident | 73.5 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 42% | 0.416 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 132.8 | 173.8 | -19.4 | 30.3 | 0 | 0 | 0 | 110.3 | W39 | W39-P112 HydrophobicContact CH2-CG 4.39Å; W39-P112 HydrophobicContact CZ2-CG 4.05Å |
| 113 | T | 71.3 | Confident | 71.5 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 28% | 0.276 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 143.4 | 174 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | A111 Q115 E116 | A111-T113 PolarHBondContact O-N 3.44Å; T113-Q115 PolarHBondContact O-N 2.93Å; T113-E116 PolarHBondContact N-OE2 2.79Å; T113-E116 VanDerWaalsContact N-OE2 3.15Å; T113-E116 PolarHBondContact O-N 2.82Å; T113-E116 PolarHBondContact OG1-OE2 2.98Å |
| 114 | P | 59.4 | Low | 69.7 | Low | 124 Ų | 124 | 81.4 Ų | 81.4 | 81% | 0.805 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.2 | 174.5 | -24.2 | 32.9 | 0 | 0 | 0 | 113.6 | ||
| 115 | Q | 49.6 | Very low | 68.1 | Low | 111 Ų | 111 | 83 Ų | 83 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77 | -30.1 | -175.5 | -145.8 | -178.5 | -2 | 0 | 0 | 113.2 | T113 G117 R118 W119 | T113-Q115 PolarHBondContact O-N 2.93Å; Q115-G117 PolarHBondContact O-N 3.25Å; Q115-R118 PolarHBondContact O-N 2.82Å; Q115-W119 PolarHBondContact O-N 2.85Å |
| 116 | E | 50.5 | Low | 66.5 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.6 | -29.2 | -179.6 | -96.8 | 131.4 | 174.8 | 0 | 0 | 113 | R110 T113 | R110-E116 IonicContact NH2-OE1 3.18Å; T113-E116 PolarHBondContact N-OE2 2.79Å; T113-E116 VanDerWaalsContact N-OE2 3.15Å; T113-E116 PolarHBondContact O-N 2.82Å; T113-E116 PolarHBondContact OG1-OE2 2.98Å |
| 117 | G | 51.8 | Low | 64.8 | Low | 46 Ų | 46 | 90.9 Ų | 90.9 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.3 | -30 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q115 | Q115-G117 PolarHBondContact O-N 3.25Å |
| 118 | R | 41.4 | Very low | 63 | Low | 191 Ų | 191 | 95.3 Ų | 95.3 | 72% | 0.721 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.7 | -36.9 | -178.8 | -74.8 | -178.8 | 172.3 | 175.9 | -2 | 112.7 | Q115 L121 Q122 | Q115-R118 PolarHBondContact O-N 2.82Å; R118-L121 PolarHBondContact O-N 2.77Å; R118-Q122 PolarHBondContact O-N 2.79Å |
| 119 | W | 47.3 | Very low | 61.3 | Low | 153 Ų | 153 | 97.2 Ų | 97.2 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.4 | -33.8 | 177.9 | -66.4 | 111.9 | 0 | 0 | 0 | 113 | Q115 L121 Q122 G123 | Q115-W119 PolarHBondContact O-N 2.85Å; W119-L121 VanDerWaalsContact C-N 3.31Å; W119-L121 PolarHBondContact O-N 2.86Å; W119-Q122 PolarHBondContact O-N 2.85Å; W119-G123 PolarHBondContact O-N 2.87Å |
| 120 | A | 49.8 | Very low | 59.6 | Low | 75 Ų | 75 | 98.7 Ų | 98.7 | 62% | 0.62 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.2 | -36.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G124 | A120-G124 PolarHBondContact O-N 2.84Å |
| 121 | L | 51.3 | Low | 58 | Low | 136 Ų | 136 | 97.9 Ų | 97.9 | 71% | 0.712 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.2 | -39.2 | 176.6 | -73.8 | 162.6 | 0 | 0 | 0 | 112.6 | R118 W119 L125 | R118-L121 PolarHBondContact O-N 2.77Å; W119-L121 VanDerWaalsContact C-N 3.31Å; W119-L121 PolarHBondContact O-N 2.86Å; L121-L125 PolarHBondContact O-N 2.83Å |
| 122 | Q | 51.4 | Low | 56.6 | Low | 116 Ų | 116 | 97.9 Ų | 97.9 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -39.9 | 177.7 | -83.5 | -174.5 | -11.9 | 0 | 0 | 113.1 | R118 W119 G124 L125 L126 | R118-Q122 PolarHBondContact O-N 2.79Å; W119-Q122 PolarHBondContact O-N 2.85Å; Q122-G124 VanDerWaalsContact C-N 3.35Å; Q122-G124 PolarHBondContact O-N 2.64Å; Q122-L125 PolarHBondContact O-N 3.33Å; Q122-L126 PolarHBondContact O-N 3.2Å |
| 123 | G | 53.3 | Low | 55.6 | Low | 43 Ų | 43 | 101.5 Ų | 101.5 | 44% | 0.443 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W119 L127 | W119-G123 PolarHBondContact O-N 2.87Å; G123-L127 PolarHBondContact O-N 2.99Å |
| 124 | G | 56.2 | Low | 55.1 | Low | 37 Ų | 37 | 104.9 Ų | 104.9 | 38% | 0.381 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.6 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A120 Q122 Q128 | A120-G124 PolarHBondContact O-N 2.84Å; Q122-G124 VanDerWaalsContact C-N 3.35Å; Q122-G124 PolarHBondContact O-N 2.64Å; G124-Q128 WeakPolarHBondContact O-CG 3.32Å; G124-Q128 PolarHBondContact O-N 3.26Å |
| 125 | L | 58.5 | Low | 54.9 | Low | 122 Ų | 122 | 109.3 Ų | 109.3 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.8 | -43.1 | 178.2 | -156.5 | 76.9 | 0 | 0 | 0 | 111.9 | L121 Q122 L127 Q128 V129 | L121-L125 PolarHBondContact O-N 2.83Å; Q122-L125 PolarHBondContact O-N 3.33Å; L125-L127 PolarHBondContact O-N 3.31Å; L125-Q128 PolarHBondContact O-N 2.75Å; L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 3.21Å |
| 126 | L | 60 | Low | 55.2 | Low | 134 Ų | 134 | 107.8 Ų | 107.8 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -37.9 | 179.6 | -70.3 | 170.8 | 0 | 0 | 0 | 112.4 | Q122 V129 G130 | Q122-L126 PolarHBondContact O-N 3.2Å; L126-V129 PolarHBondContact O-N 2.82Å; L126-G130 PolarHBondContact O-N 2.81Å; L126-G130 VanDerWaalsContact O-N 3.11Å |
| 127 | L | 59.6 | Low | 55.4 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.9 | -38.4 | 178.3 | -154.6 | 85 | 0 | 0 | 0 | 112.2 | G123 L125 G130 L131 | G123-L127 PolarHBondContact O-N 2.99Å; L125-L127 PolarHBondContact O-N 3.31Å; L127-G130 PolarHBondContact O-N 3.04Å; L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.11Å |
| 128 | Q | 59.1 | Low | 55.4 | Low | 152 Ų | 152 | 117.6 Ų | 117.6 | 71% | 0.71 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68 | -38.3 | 178.2 | -74.8 | -157 | 69.1 | 0 | 0 | 112.8 | G124 L125 G132 | G124-Q128 WeakPolarHBondContact O-CG 3.32Å; G124-Q128 PolarHBondContact O-N 3.26Å; L125-Q128 PolarHBondContact O-N 2.75Å; Q128-G132 PolarHBondContact O-N 2.79Å; Q128-G132 VanDerWaalsContact O-N 3.13Å |
| 129 | V | 59.7 | Low | 56.1 | Low | 84 Ų | 84 | 114 Ų | 114 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.6 | -40.6 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L125 L126 L131 G132 F133 | L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 3.21Å; L126-V129 PolarHBondContact O-N 2.82Å; V129-L131 PolarHBondContact O-N 2.78Å; V129-G132 PolarHBondContact O-N 2.83Å; V129-F133 HydrophobicContact CG1-CD2 4.06Å; V129-F133 HydrophobicContact CG1-CE2 4.04Å; V129-F133 WeakPolarHBondContact O-CD2 3.34Å; V129-F133 PolarHBondContact O-N 2.88Å |
| 130 | G | 59.7 | Low | 56.5 | Low | 36 Ų | 36 | 111.9 Ų | 111.9 | 37% | 0.371 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | L126 L127 F133 L134 | L126-G130 PolarHBondContact O-N 2.81Å; L126-G130 VanDerWaalsContact O-N 3.11Å; L127-G130 PolarHBondContact O-N 3.04Å; G130-F133 PolarHBondContact O-N 3.5Å; G130-L134 PolarHBondContact O-N 2.77Å |
| 131 | L | 60.7 | Low | 56.9 | Low | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -33.1 | 174.7 | -103.2 | 95.7 | 0 | 0 | 0 | 112.9 | L127 V129 R135 | L127-L131 HydrophobicContact CG-CD1 4.45Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.11Å; V129-L131 PolarHBondContact O-N 2.78Å; L131-R135 PolarHBondContact O-N 3.44Å |
| 132 | G | 59.9 | Low | 57.2 | Low | 43 Ų | 43 | 112.6 Ų | 112.6 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.1 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q128 V129 R135 A136 | Q128-G132 PolarHBondContact O-N 2.79Å; Q128-G132 VanDerWaalsContact O-N 3.13Å; V129-G132 PolarHBondContact O-N 2.83Å; G132-R135 PolarHBondContact O-N 2.76Å; G132-A136 PolarHBondContact O-N 2.79Å |
| 133 | F | 57.8 | Low | 57.6 | Low | 141 Ų | 141 | 112.4 Ų | 112.4 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.5 | -39.8 | 177.1 | -90.1 | -83.4 | 0 | 0 | 0 | 113.2 | V129 G130 R135 A136 L137 | V129-F133 HydrophobicContact CG1-CD2 4.06Å; V129-F133 HydrophobicContact CG1-CE2 4.04Å; V129-F133 WeakPolarHBondContact O-CD2 3.34Å; V129-F133 PolarHBondContact O-N 2.88Å; G130-F133 PolarHBondContact O-N 3.5Å; F133-R135 PolarHBondContact O-N 3.02Å; F133-A136 PolarHBondContact O-N 3.11Å; F133-L137 WeakPolarHBondContact O-CG 3.41Å; F133-L137 PolarHBondContact O-N 3.49Å |
| 134 | L | 59.3 | Low | 57.9 | Low | 116 Ų | 116 | 117.1 Ų | 117.1 | 61% | 0.607 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.5 | -31.4 | 175.2 | -79.1 | 160.4 | 0 | 0 | 0 | 112.4 | G130 A136 | G130-L134 PolarHBondContact O-N 2.77Å; L134-A136 VanDerWaalsContact C-N 3.35Å |
| 135 | R | 55.7 | Low | 58 | Low | 217 Ų | 217 | 122.8 Ų | 122.8 | 82% | 0.819 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -16.2 | 177.6 | -131.7 | 177.2 | -174.3 | 172 | 0.4 | 114.3 | L131 G132 F133 | L131-R135 PolarHBondContact O-N 3.44Å; G132-R135 PolarHBondContact O-N 2.76Å; F133-R135 PolarHBondContact O-N 3.02Å |
| 136 | A | 57.3 | Low | 58 | Low | 79 Ų | 79 | 122.8 Ų | 122.8 | 65% | 0.653 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -8.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G132 F133 L134 | G132-A136 PolarHBondContact O-N 2.79Å; F133-A136 PolarHBondContact O-N 3.11Å; L134-A136 VanDerWaalsContact C-N 3.35Å |
| 137 | L | 54.1 | Low | 57.8 | Low | 146 Ų | 146 | 121.9 Ų | 121.9 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | trans | -110 | 3.3 | -177.9 | -65.7 | 171.1 | 0 | 0 | 0 | 113.2 | F133 | F133-L137 WeakPolarHBondContact O-CG 3.41Å; F133-L137 PolarHBondContact O-N 3.49Å | ||
| 138 | L | 50.8 | Low | 57.6 | Low | 212 Ų | 212 | 121.9 Ų | 121.9 | 100% | 1.11 | 66% | 0.655 | S | S | * | * | trans | -114.2 | 0 | 171.1 | -87.1 | 161.9 | 0 | 0 | 0 | 108.6 |
Retrieved 138 of 138 residues in 155.9 ms
(Link to these results)