| 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 | 33.3 | Very low | 30.5 | Very low | 239 Ų | 239 | 134.6 Ų | 134.6 | 100% | 1.177 | 82% | 0.824 | S | S | * | * | 0 | 163 | 0 | -77.4 | -170.9 | 168.4 | 0 | 0 | 108.6 | |||||
| 2 | L | 25.8 | Very low | 30 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | 75 | 146.3 | -171.7 | -60.2 | 176.8 | 0 | 0 | 0 | 114.8 | ||||
| 3 | P | 35.3 | Very low | 30.1 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | -115.9 | 161.6 | -124.5 | 40 | -33.7 | 0 | 0 | 0 | 115.2 | |||||
| 4 | T | 32.1 | Very low | 29.8 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -84.8 | 112.3 | 169.5 | -40.9 | 0 | 0 | 0 | 0 | 109.5 | I6 | T4-I6 PolarHBondContact O-N 3.16Š| ||
| 5 | E | 28.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | -52.3 | 125.6 | 178.8 | -69.5 | -75.9 | 100.7 | 0 | 0 | 112.7 | S7 | E5-S7 PolarHBondContact O-N 3.49Š| ||
| 6 | I | 37.1 | Very low | 29.7 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -93.8 | 83.3 | 174.4 | -53.7 | 173.2 | 0 | 0 | 0 | 108.2 | T4 G8 | T4-I6 PolarHBondContact O-N 3.16Å; I6-G8 PolarHBondContact O-N 2.98Å | ||
| 7 | S | 30 | Very low | 29.9 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -81.9 | 98.7 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | E5 G9 | E5-S7 PolarHBondContact O-N 3.49Å; S7-G9 PolarHBondContact O-N 3.26Å | ||
| 8 | G | 29 | Very low | 29.9 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -67.3 | 112.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | I6 V10 | I6-G8 PolarHBondContact O-N 2.98Å; G8-V10 PolarHBondContact O-N 2.89Å; G8-V10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | G | 26.7 | Very low | 30.3 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -79.1 | 88.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S7 | S7-G9 PolarHBondContact O-N 3.26Š| ||
| 10 | V | 30.3 | Very low | 30.1 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | trans | -69 | 128.8 | 168.1 | -93.8 | 0 | 0 | 0 | 0 | 111 | G8 | G8-V10 PolarHBondContact O-N 2.89Å; G8-V10 VanDerWaalsContact O-N 3.12Å | ||
| 11 | C | 28 | Very low | 30.2 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -95.2 | 97.5 | 178 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | F | 24.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -77.2 | 128 | 167.3 | -86.5 | -91.9 | 0 | 0 | 0 | 111 | ||||
| 13 | T | 30.2 | Very low | 30.4 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -110.5 | 103.8 | 160.5 | 53.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 14 | S | 26.4 | Very low | 30 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -102 | 111.4 | 167.6 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 15 | S | 31.6 | Very low | 30 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -83.3 | 128.7 | 158.5 | -61.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 16 | D | 27 | Very low | 29.9 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -150.5 | 151.8 | 146.5 | -133.9 | -36.2 | 0 | 0 | 0 | 112.4 | ||||
| 17 | H | 32.3 | Very low | 29.9 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -90 | 121.5 | -172.3 | -112.3 | -99.8 | 0 | 0 | 0 | 110.7 | ||||
| 18 | T | 29.8 | Very low | 30.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -136.5 | 135.1 | 152.8 | 45.1 | 0 | 0 | 0 | 0 | 110 | G20 | T18-G20 PolarHBondContact O-N 3.04Š| ||
| 19 | E | 37.5 | Very low | 31.9 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 94% | 0.944 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 120.9 | -179.1 | -67.3 | -168.3 | 107.8 | 0 | 0 | 110.9 | ||||
| 20 | G | 26.6 | Very low | 33.4 | Very low | 60 Ų | 60 | 143.3 Ų | 143.3 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | trans | -146.3 | 99.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | T18 R22 | T18-G20 PolarHBondContact O-N 3.04Å; G20-R22 WeakPolarHBondContact O-CG 3.45Å; G20-R22 PolarHBondContact O-N 3.09Å | ||
| 21 | R | 31.5 | Very low | 35.2 | Very low | 246 Ų | 246 | 142.2 Ų | 142.2 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | trans | -30.6 | 91 | -179.4 | -171.9 | 180 | -173.9 | 179.9 | 1.5 | 113.4 | E23 | R21-E23 PolarHBondContact O-N 3.04Š| ||
| 22 | R | 31.8 | Very low | 37.7 | Very low | 237 Ų | 237 | 137.3 Ų | 137.3 | 89% | 0.894 | 71% | 0.705 | S | S | * | * | trans | -76.7 | 104.8 | 175 | -65 | -173.3 | -172.5 | -173.2 | 3.7 | 108.7 | G20 G24 | G20-R22 WeakPolarHBondContact O-CG 3.45Å; G20-R22 PolarHBondContact O-N 3.09Å; R22-G24 PolarHBondContact O-N 2.87Å | ||
| 23 | E | 32.3 | Very low | 40.1 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -59.9 | 110.7 | 155.9 | -68.8 | -167.7 | 141.8 | 0 | 0 | 107.5 | R21 M25 | R21-E23 PolarHBondContact O-N 3.04Å; E23-M25 PolarHBondContact O-N 2.74Å | ||
| 24 | G | 27.7 | Very low | 42.3 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 66% | 0.659 | S | S | * | * | trans | -61.6 | 111.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | R22 K26 | R22-G24 PolarHBondContact O-N 2.87Å; G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.85Å | ||
| 25 | M | 32.3 | Very low | 44.9 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 79% | 0.788 | 65% | 0.648 | S | S | * | * | trans | -63.6 | 86.6 | 178.2 | -73.9 | -177.2 | 168.9 | 0 | 0 | 110.4 | E23 T27 | E23-M25 PolarHBondContact O-N 2.74Å; M25-T27 PolarHBondContact O-N 3.11Å; M25-T27 PolarHBondContact O-OG1 3.23Å | ||
| 26 | K | 24.9 | Very low | 47.1 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 80% | 0.8 | 64% | 0.636 | S | S | * | * | trans | -51.7 | 105.7 | 167.4 | -75.2 | -172.9 | 176.6 | -173.5 | 0 | 107.7 | G24 | G24-K26 VanDerWaalsContact C-N 3.26Å; G24-K26 PolarHBondContact O-N 2.85Å | ||
| 27 | T | 37.3 | Very low | 49.3 | Very low | 45 Ų | 45 | 123 Ų | 123 | 28% | 0.276 | 61% | 0.614 | S | S | . | * | trans | -107.2 | 66.3 | 177.7 | 27.8 | 0 | 0 | 0 | 0 | 106.8 | M25 E29 R123 | M25-T27 PolarHBondContact O-N 3.11Å; M25-T27 PolarHBondContact O-OG1 3.23Å; T27-E29 PolarHBondContact O-N 3.4Å; T27-R123 VanDerWaalsContact CB-CZ 3.48Å; T27-R123 VanDerWaalsContact CB-NH1 3.29Å; T27-R123 PolarHBondContact O-NH1 2.95Å; T27-R123 PolarHBondContact O-NH2 3.31Å; T27-R123 PolarHBondContact OG1-NH1 3.39Å | ||
| 28 | E | 42.1 | Very low | 51 | Low | 152 Ų | 152 | 119.1 Ų | 119.1 | 71% | 0.71 | 60% | 0.604 | S | S | * | * | trans | -64.1 | 120.9 | 169.5 | -75.5 | 174.5 | 105.3 | 0 | 0 | 107.9 | N30 | E28-N30 PolarHBondContact O-N 3.02Š| ||
| 29 | E | 58.9 | Low | 52.6 | Low | 147 Ų | 147 | 115 Ų | 115 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | trans | -80.2 | 61.4 | -179.8 | -167.8 | 168.7 | 128 | 0 | 0 | 109.2 | T27 Q31 R123 | T27-E29 PolarHBondContact O-N 3.4Å; E29-Q31 PolarHBondContact O-N 2.79Å; E29-Q31 VanDerWaalsContact O-N 3.12Å; E29-R123 IonicContact OE2-NH2 2.64Å | ||
| 30 | N | 58.2 | Low | 53.7 | Low | 85 Ų | 85 | 110.2 Ų | 110.2 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | trans | -89.3 | 84.8 | -170.7 | -152.7 | -4.5 | 0 | 0 | 0 | 109.7 | E28 Q32 | E28-N30 PolarHBondContact O-N 3.02Å; N30-Q32 HydrophobicContact CB-CG 4.22Å; N30-Q32 PolarHBondContact ND2-NE2 3.06Å; N30-Q32 WeakPolarHBondContact O-CG 3.47Å; N30-Q32 PolarHBondContact O-N 3.2Å | ||
| 31 | Q | 69.4 | Low | 55 | Low | 102 Ų | 102 | 112.7 Ų | 112.7 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.2 | 112.2 | 160.5 | 175.2 | 177.8 | 100.8 | 0 | 0 | 107.5 | E29 Y94 | E29-Q31 PolarHBondContact O-N 2.79Å; E29-Q31 VanDerWaalsContact O-N 3.12Å; Q31-Y94 HydrophobicContact CB-CE1 4.19Å; Q31-Y94 PolarHBondContact NE2-OH 3.32Å |
| 32 | Q | 78.6 | Confident | 55.8 | Low | 18 Ų | 18 | 107 Ų | 107 | 8% | 0.084 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.1 | -170.9 | -76.5 | 168.5 | -8.3 | 0 | 0 | 111.1 | N30 V70 N71 T92 C93 | N30-Q32 HydrophobicContact CB-CG 4.22Å; N30-Q32 PolarHBondContact ND2-NE2 3.06Å; N30-Q32 WeakPolarHBondContact O-CG 3.47Å; N30-Q32 PolarHBondContact O-N 3.2Å; Q32-V70 HydrophobicContact CB-CG1 4.4Å; Q32-N71 PolarHBondContact NE2-OD1 3.05Å; Q32-T92 VanDerWaalsContact O-CA 3.31Å; Q32-T92 WeakPolarHBondContact O-CA 3.34Å; Q32-C93 PolarHBondContact N-O 2.85Å; Q32-C93 PolarHBondContact O-N 3.02Å |
| 33 | S | 75.4 | Confident | 56.8 | Low | 67 Ų | 67 | 100.8 Ų | 100.8 | 47% | 0.469 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.7 | 170.8 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | L35 G91 | S33-L35 PolarHBondContact O-N 2.79Å; S33-G91 WeakPolarHBondContact CA-O 3.2Å |
| 34 | C | 77.8 | Confident | 57.6 | Low | 16 Ų | 16 | 103 Ų | 103 | 11% | 0.108 | 57% | 0.567 | C | S | . | * | trans | -86 | 90.9 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 108.8 | L68 V70 G91 C93 | C34-L68 HydrophobicContact CB-CD2 4.31Å; C34-V70 HydrophobicContact CB-CG2 4.17Å; C34-G91 PolarHBondContact N-O 3.12Å; C34-C93 VanDerWaalsContact SG-SG 3.61Å | ||
| 35 | L | 79.4 | Confident | 58.4 | Low | 102 Ų | 102 | 101.7 Ų | 101.7 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 130.1 | 178.5 | -62.7 | 179.4 | 0 | 0 | 0 | 110.8 | S33 L68 R69 | S33-L35 PolarHBondContact O-N 2.79Å; L35-L68 WeakPolarHBondContact O-CA 3.31Å; L35-R69 PolarHBondContact O-N 2.82Å |
| 36 | Q | 79.1 | Confident | 59.4 | Low | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 132 | 168.8 | -70.8 | 178.5 | -8.5 | 0 | 0 | 109.6 | L67 L68 | Q36-L67 WeakPolarHBondContact CA-O 3.16Å; Q36-L68 HydrophobicContact CG-CD1 4.22Å; Q36-L68 HydrophobicContact CG-CG 4.1Å |
| 37 | Q | 72.3 | Confident | 60.7 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.1 | 173.3 | -69 | -173.5 | -28 | 0 | 0 | 110.1 | L67 | Q37-L67 PolarHBondContact N-O 3.37Å; Q37-L67 PolarHBondContact O-N 3.18Å |
| 38 | P | 68.1 | Low | 61 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 61% | 0.61 | 58% | 0.579 | S | S | * | * | trans | -64.7 | 147.5 | 164.6 | 30.2 | -33.9 | 0 | 0 | 0 | 109.4 | S40 | P38-S40 PolarHBondContact O-N 3.29Š| ||
| 39 | P | 63.9 | Low | 61.6 | Low | 52 Ų | 52 | 109.2 Ų | 109.2 | 34% | 0.338 | 59% | 0.59 | S | S | . | * | trans | -59.6 | 138.2 | 170.9 | 26.3 | -33.5 | 0 | 0 | 0 | 109.9 | S41 R65 L67 | P39-S41 PolarHBondContact O-N 3.26Å; P39-R65 WeakPolarHBondContact CD-O 3.37Å; P39-L67 HydrophobicContact CB-CD2 4.27Å | ||
| 40 | S | 60.7 | Low | 60.9 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 71% | 0.713 | 58% | 0.582 | S | S | * | * | trans | -70.1 | 96.5 | -177.7 | 42.3 | 0 | 0 | 0 | 0 | 111.2 | P38 | P38-S40 PolarHBondContact O-N 3.29Š| ||
| 41 | S | 53.8 | Low | 61 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 78% | 0.783 | 60% | 0.601 | S | S | * | * | trans | -90.9 | 127 | 174.9 | 51 | 0 | 0 | 0 | 0 | 111.9 | P39 | P39-S41 PolarHBondContact O-N 3.26Š| ||
| 42 | T | 47.1 | Very low | 61.3 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 77% | 0.767 | 60% | 0.604 | S | S | * | * | trans | -106.6 | 152.9 | 154.6 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 43 | P | 52.5 | Low | 61.7 | Low | 108 Ų | 108 | 104.3 Ų | 104.3 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | trans | -84.8 | 142.9 | -156.9 | 31.9 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 44 | F | 49.8 | Very low | 62.5 | Low | 218 Ų | 218 | 104.8 Ų | 104.8 | 96% | 0.956 | 61% | 0.614 | S | S | * | * | trans | 25.9 | 93.6 | 148.2 | -65.5 | -87.2 | 0 | 0 | 0 | 118 | ||||
| 45 | G | 45 | Very low | 63.3 | Low | 38 Ų | 38 | 104 Ų | 104 | 39% | 0.392 | 61% | 0.609 | S | S | . | * | trans | -152.3 | 140.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D47 | G45-D47 VanDerWaalsContact C-N 3.26Å; G45-D47 PolarHBondContact O-N 2.85Å | ||
| 46 | P | 52.8 | Low | 63.9 | Low | 135 Ų | 135 | 101 Ų | 101 | 88% | 0.877 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -4.6 | -168.5 | 29.6 | -35.5 | 0 | 0 | 0 | 115.4 | ||
| 47 | D | 51.9 | Low | 64.4 | Low | 146 Ų | 146 | 97.3 Ų | 97.3 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 36.8 | -174.2 | -85.9 | -61.4 | 0 | 0 | 0 | 114.2 | G45 R49 | G45-D47 VanDerWaalsContact C-N 3.26Å; G45-D47 PolarHBondContact O-N 2.85Å; D47-R49 PolarHBondContact O-N 3.37Å |
| 48 | F | 44.8 | Very low | 65.4 | Low | 168 Ų | 168 | 95.8 Ų | 95.8 | 74% | 0.737 | 59% | 0.592 | S | S | * | * | trans | -93.1 | 91.3 | 172.7 | -94.4 | -88.6 | 0 | 0 | 0 | 113.3 | G50 | F48-G50 PolarHBondContact O-N 3.36Š| ||
| 49 | R | 54 | Low | 66.5 | Low | 251 Ų | 251 | 99.5 Ų | 99.5 | 95% | 0.947 | 60% | 0.601 | S | S | * | * | trans | -71.9 | 62.5 | 150.7 | -98.4 | -176.8 | -83.1 | -107.6 | -5.9 | 109.7 | D47 | D47-R49 PolarHBondContact O-N 3.37Š| ||
| 50 | G | 44.6 | Very low | 67.9 | Low | 50 Ų | 50 | 99.9 Ų | 99.9 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | trans | -104.2 | 126.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F48 G52 | F48-G50 PolarHBondContact O-N 3.36Å; G50-G52 PolarHBondContact O-N 2.94Å | ||
| 51 | G | 60.4 | Low | 69.4 | Low | 84 Ų | 84 | 99.4 Ų | 99.4 | 87% | 0.866 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 52 | G | 74.6 | Confident | 71.2 | Confident | 52 Ų | 52 | 95 Ų | 95 | 54% | 0.536 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 147 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G50 V54 | G50-G52 PolarHBondContact O-N 2.94Å; G52-V54 PolarHBondContact O-N 2.89Å |
| 53 | E | 87.1 | Confident | 73.2 | Confident | 62 Ų | 62 | 93.8 Ų | 93.8 | 29% | 0.29 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -59 | 123.6 | 176.9 | -70.6 | -76.7 | 171.1 | 0 | 0 | 110.4 | I62 L67 R69 S74 | E53-I62 HydrophobicContact CB-CD1 4.37Å; E53-I62 WeakPolarHBondContact O-CB 3.44Å; E53-I62 WeakPolarHBondContact O-CG1 3.35Å; E53-I62 PolarHBondContact O-N 3.25Å; E53-L67 HydrophobicContact CB-CD2 4.02Å; E53-L67 HydrophobicContact CG-CD2 3.93Å; E53-R69 IonicContact OE1-CZ 3.36Å; E53-R69 IonicContact OE1-NH2 2.77Å; E53-R69 PolarHBondContact OE1-NH2 2.98Å; E53-R69 IonicContact OE2-NH2 3.43Å; E53-R69 PolarHBondContact OE2-NH2 3.16Å; E53-S74 WeakPolarHBondContact OE2-CB 3.26Å; E53-S74 PolarHBondContact OE2-OG 2.64Å |
| 54 | V | 93.3 | Very high | 74.8 | Confident | 78 Ų | 78 | 92 Ų | 92 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | -94.8 | 134.2 | -179 | 177.9 | 0 | 0 | 0 | 0 | 110 | G52 A56 E59 | G52-V54 PolarHBondContact O-N 2.89Å; V54-A56 PolarHBondContact O-N 2.92Å; V54-E59 VanDerWaalsContact CG1-O 3.23Å; V54-E59 WeakPolarHBondContact CG1-O 3.3Å |
| 55 | C | 93.7 | Very high | 76.6 | Confident | 0 Ų | 0 | 91.2 Ų | 91.2 | 0% | 0 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 118.4 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | G57 C58 E59 S60 I62 S74 H76 C79 | C55-G57 PolarHBondContact O-N 2.94Å; C55-G57 PolarHBondContact SG-N 3.36Å; C55-G57 VanDerWaalsContact SG-N 3.43Å; C55-C58 PolarHBondContact O-N 3.36Å; C55-E59 WeakPolarHBondContact O-CA 3.5Å; C55-E59 PolarHBondContact O-N 3.1Å; C55-S60 WeakPolarHBondContact CB-O 3.47Å; C55-S60 PolarHBondContact N-O 3.3Å; C55-I62 HydrophobicContact CB-CD1 4.17Å; C55-I62 HydrophobicContact CB-CG1 3.84Å; C55-S74 WeakPolarHBondContact CA-O 3.24Å; C55-H76 VanDerWaalsContact CB-CE1 3.41Å; C55-H76 WeakPolarHBondContact CB-CE1 3.45Å; C55-H76 WeakPolarHBondContact CB-ND1 3.29Å; C55-H76 PolarHBondContact SG-ND1 2.9Å; C55-H76 VanDerWaalsContact SG-ND1 3.36Å; C55-C79 VanDerWaalsContact SG-CB 3.55Å |
| 56 | A | 92 | Very high | 78.6 | Confident | 38 Ų | 38 | 94 Ų | 94 | 31% | 0.314 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -9.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V54 R73 S74 W75 | V54-A56 PolarHBondContact O-N 2.92Å; A56-R73 HydrophobicContact CB-CB 3.89Å; A56-R73 HydrophobicContact CB-CG 4.32Å; A56-S74 PolarHBondContact N-O 3.39Å; A56-W75 HydrophobicContact CB-CD2 4.18Å; A56-W75 HydrophobicContact CB-CE3 4.5Å; A56-W75 HydrophobicContact CB-CH2 4.09Å; A56-W75 HydrophobicContact CB-CZ2 3.76Å; A56-W75 HydrophobicContact CB-CZ3 4.47Å |
| 57 | G | 90.7 | Very high | 80.4 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -15.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | C55 W75 | C55-G57 PolarHBondContact O-N 2.94Å; C55-G57 PolarHBondContact SG-N 3.36Å; C55-G57 VanDerWaalsContact SG-N 3.43Å; G57-W75 VanDerWaalsContact CA-CZ3 3.41Å |
| 58 | C | 92.3 | Very high | 82.2 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 36% | 0.358 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.8 | 3.2 | 178.8 | 67 | 0 | 0 | 0 | 0 | 114.5 | C55 S60 H76 C79 | C55-C58 PolarHBondContact O-N 3.36Å; C58-S60 PolarHBondContact O-N 2.91Å; C58-H76 PolarHBondContact SG-CE1 2.95Å; C58-H76 PolarHBondContact SG-ND1 3.42Å; C58-C79 VanDerWaalsContact SG-SG 3.69Å |
| 59 | E | 91.8 | Very high | 84.4 | Confident | 172 Ų | 172 | 77.5 Ų | 77.5 | 80% | 0.804 | 45% | 0.452 | S | S | * | . | trans | 62.1 | 3.8 | 173.9 | -54.2 | -178.1 | 169.3 | 0 | 0 | 115.5 | V54 C55 | V54-E59 VanDerWaalsContact CG1-O 3.23Å; V54-E59 WeakPolarHBondContact CG1-O 3.3Å; C55-E59 WeakPolarHBondContact O-CA 3.5Å; C55-E59 PolarHBondContact O-N 3.1Å | ||
| 60 | S | 92.5 | Very high | 86.1 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 42% | 0.42 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.8 | 149.1 | 173.2 | -59.5 | 0 | 0 | 0 | 0 | 112.6 | C55 C58 | C55-S60 WeakPolarHBondContact CB-O 3.47Å; C55-S60 PolarHBondContact N-O 3.3Å; C58-S60 PolarHBondContact O-N 2.91Å |
| 61 | P | 93 | Very high | 88.1 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 60% | 0.597 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -63.9 | 138.2 | 172.8 | 27.7 | -34.8 | 0 | 0 | 0 | 111.4 | A63 | P61-A63 PolarHBondContact O-N 3.36Å |
| 62 | I | 92.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | trans | -81.6 | 109.3 | -179.7 | -58.5 | 169.6 | 0 | 0 | 0 | 109.3 | E53 C55 D64 L67 | E53-I62 HydrophobicContact CB-CD1 4.37Å; E53-I62 WeakPolarHBondContact O-CB 3.44Å; E53-I62 WeakPolarHBondContact O-CG1 3.35Å; E53-I62 PolarHBondContact O-N 3.25Å; C55-I62 HydrophobicContact CB-CD1 4.17Å; C55-I62 HydrophobicContact CB-CG1 3.84Å; I62-D64 HydrophobicContact CG2-CB 3.96Å; I62-L67 HydrophobicContact CD1-CB 4.18Å; I62-L67 HydrophobicContact CG2-CB 4.12Å | ||
| 63 | A | 88.9 | Confident | 90.1 | Very high | 100 Ų | 100 | 74 Ų | 74 | 83% | 0.826 | 39% | 0.394 | S | S | * | . | trans | -97.7 | 0.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P61 | P61-A63 PolarHBondContact O-N 3.36Š| ||
| 64 | D | 86.4 | Confident | 90.4 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -65.5 | 149.7 | -178.9 | -69.1 | -8.9 | 0 | 0 | 0 | 112 | I62 F66 H76 | I62-D64 HydrophobicContact CG2-CB 3.96Å; D64-F66 WeakPolarHBondContact CB-O 3.44Å; D64-F66 PolarHBondContact O-N 2.93Å; D64-H76 IonicContact OD2-CD2 2.7Å; D64-H76 PolarHBondContact OD2-CD2 2.77Å; D64-H76 VanDerWaalsContact OD2-CD2 3.28Å; D64-H76 IonicContact OD2-CG 3.52Å |
| 65 | R | 86.9 | Confident | 90.4 | Very high | 202 Ų | 202 | 68 Ų | 68 | 76% | 0.762 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -59.7 | -28.3 | 175.8 | -179.1 | 177.9 | 175.9 | -178.3 | 0.3 | 113.2 | P39 | P39-R65 WeakPolarHBondContact CD-O 3.37Š|
| 66 | F | 86.6 | Confident | 90.3 | Very high | 98 Ų | 98 | 69 Ų | 69 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -136.5 | 141.5 | 179.2 | -56.5 | -71.3 | 0 | 0 | 0 | 108.8 | D64 | D64-F66 WeakPolarHBondContact CB-O 3.44Å; D64-F66 PolarHBondContact O-N 2.93Å |
| 67 | L | 90.8 | Very high | 90.3 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 153.8 | 171.6 | 66.1 | 82.9 | 0 | 0 | 0 | 109.9 | Q36 Q37 P39 E53 I62 R69 | Q36-L67 WeakPolarHBondContact CA-O 3.16Å; Q37-L67 PolarHBondContact N-O 3.37Å; Q37-L67 PolarHBondContact O-N 3.18Å; P39-L67 HydrophobicContact CB-CD2 4.27Å; E53-L67 HydrophobicContact CB-CD2 4.02Å; E53-L67 HydrophobicContact CG-CD2 3.93Å; I62-L67 HydrophobicContact CD1-CB 4.18Å; I62-L67 HydrophobicContact CG2-CB 4.12Å; L67-R69 HydrophobicContact CD1-CB 4.25Å |
| 68 | L | 90 | Very high | 90.3 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.8 | 170.9 | -73.1 | 74.9 | 0 | 0 | 0 | 108.5 | C34 L35 Q36 S74 W75 E77 V80 | C34-L68 HydrophobicContact CB-CD2 4.31Å; L35-L68 WeakPolarHBondContact O-CA 3.31Å; Q36-L68 HydrophobicContact CG-CD1 4.22Å; Q36-L68 HydrophobicContact CG-CG 4.1Å; L68-S74 CarbonylContact O-C 3.58Å; L68-W75 PolarHBondContact N-O 2.7Å; L68-W75 PolarHBondContact O-N 3.22Å; L68-E77 HydrophobicContact CD1-CB 3.84Å; L68-E77 HydrophobicContact CD1-CG 4.3Å; L68-V80 HydrophobicContact CB-CG2 4.01Å; L68-V80 HydrophobicContact CD2-CB 4.29Å; L68-V80 HydrophobicContact CD2-CG1 4.32Å; L68-V80 HydrophobicContact CD2-CG2 4.02Å |
| 69 | R | 90.4 | Very high | 90.4 | Very high | 83 Ų | 83 | 74.6 Ų | 74.6 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.8 | 176.9 | -171.7 | 156.5 | -89.7 | 177.1 | -11.6 | 110.2 | L35 E53 L67 R73 S74 | L35-R69 PolarHBondContact O-N 2.82Å; E53-R69 IonicContact OE1-CZ 3.36Å; E53-R69 IonicContact OE1-NH2 2.77Å; E53-R69 PolarHBondContact OE1-NH2 2.98Å; E53-R69 IonicContact OE2-NH2 3.43Å; E53-R69 PolarHBondContact OE2-NH2 3.16Å; L67-R69 HydrophobicContact CD1-CB 4.25Å; R69-R73 CarbonylContact C-O 3.53Å; R69-R73 VanDerWaalsContact CA-O 3.32Å; R69-R73 WeakPolarHBondContact CA-O 3.13Å; R69-S74 PolarHBondContact NH2-OG 3.07Å |
| 70 | V | 89.8 | Confident | 90.4 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 127.7 | -175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | Q32 C34 E72 R73 W75 C93 L100 | Q32-V70 HydrophobicContact CB-CG1 4.4Å; C34-V70 HydrophobicContact CB-CG2 4.17Å; V70-E72 VanDerWaalsContact C-N 3.29Å; V70-E72 PolarHBondContact O-N 3.34Å; V70-R73 PolarHBondContact N-O 2.89Å; V70-R73 WeakPolarHBondContact O-CB 3.45Å; V70-R73 PolarHBondContact O-N 2.88Å; V70-W75 PolarHBondContact O-NE1 3.33Å; V70-C93 VanDerWaalsContact CG1-SG 3.5Å; V70-L100 HydrophobicContact CG1-CD2 3.75Å |
| 71 | N | 87.3 | Confident | 90.6 | Very high | 71 Ų | 71 | 68.4 Ų | 68.4 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 46.1 | -173 | -149.5 | 20.3 | 0 | 0 | 0 | 113.5 | Q32 R73 C95 | Q32-N71 PolarHBondContact NE2-OD1 3.05Å; N71-R73 PolarHBondContact O-N 2.96Å; N71-C95 HydrophobicContact CB-CB 4.14Å; N71-C95 PolarHBondContact ND2-SG 3.18Å |
| 72 | E | 86.1 | Confident | 90.7 | Very high | 182 Ų | 182 | 64 Ų | 64 | 85% | 0.85 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 8 | -175 | -52.6 | -175.1 | 130.5 | 0 | 0 | 115.2 | V70 | V70-E72 VanDerWaalsContact C-N 3.29Å; V70-E72 PolarHBondContact O-N 3.34Å |
| 73 | R | 90.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 65.3 Ų | 65.3 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 147.8 | 178.7 | -68.1 | 168.2 | 178.6 | -90.4 | -13.2 | 111.1 | A56 R69 V70 N71 W75 | A56-R73 HydrophobicContact CB-CB 3.89Å; A56-R73 HydrophobicContact CB-CG 4.32Å; R69-R73 CarbonylContact C-O 3.53Å; R69-R73 VanDerWaalsContact CA-O 3.32Å; R69-R73 WeakPolarHBondContact CA-O 3.13Å; V70-R73 PolarHBondContact N-O 2.89Å; V70-R73 WeakPolarHBondContact O-CB 3.45Å; V70-R73 PolarHBondContact O-N 2.88Å; N71-R73 PolarHBondContact O-N 2.96Å; R73-W75 PolarHBondContact O-NE1 3.39Å |
| 74 | S | 93.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.9 | 179 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | E53 C55 A56 L68 R69 | E53-S74 WeakPolarHBondContact OE2-CB 3.26Å; E53-S74 PolarHBondContact OE2-OG 2.64Å; C55-S74 WeakPolarHBondContact CA-O 3.24Å; A56-S74 PolarHBondContact N-O 3.39Å; L68-S74 CarbonylContact O-C 3.58Å; R69-S74 PolarHBondContact NH2-OG 3.07Å |
| 75 | W | 93.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 63.3 Ų | 63.3 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 144.4 | -176.1 | -55.6 | 77.3 | 0 | 0 | 0 | 110.8 | A56 G57 L68 V70 R73 C79 V80 L100 | A56-W75 HydrophobicContact CB-CD2 4.18Å; A56-W75 HydrophobicContact CB-CE3 4.5Å; A56-W75 HydrophobicContact CB-CH2 4.09Å; A56-W75 HydrophobicContact CB-CZ2 3.76Å; A56-W75 HydrophobicContact CB-CZ3 4.47Å; G57-W75 VanDerWaalsContact CA-CZ3 3.41Å; L68-W75 PolarHBondContact N-O 2.7Å; L68-W75 PolarHBondContact O-N 3.22Å; V70-W75 PolarHBondContact O-NE1 3.33Å; R73-W75 PolarHBondContact O-NE1 3.39Å; W75-C79 HydrophobicContact CE3-CB 4.45Å; W75-V80 HydrophobicContact CB-CG2 3.36Å; W75-V80 HydrophobicContact CD2-CG2 4.41Å; W75-V80 HydrophobicContact CG-CG2 3.88Å; W75-L100 HydrophobicContact CD2-CD1 4.08Å; W75-L100 HydrophobicContact CE3-CD1 4.07Å; W75-L100 HydrophobicContact CH2-CD1 3.97Å; W75-L100 HydrophobicContact CH2-CD2 4.46Å; W75-L100 HydrophobicContact CH2-CG 3.85Å; W75-L100 HydrophobicContact CZ2-CD1 3.94Å; W75-L100 HydrophobicContact CZ2-CD2 4.1Å; W75-L100 HydrophobicContact CZ2-CG 3.93Å; W75-L100 HydrophobicContact CZ3-CD1 4.01Å; W75-L100 HydrophobicContact CZ3-CG 4.29Å |
| 76 | H | 92.9 | Very high | 91.9 | Very high | 21 Ų | 21 | 59.5 Ų | 59.5 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | trans | -64.9 | 149.6 | 161.9 | -54.8 | 114 | 0 | 0 | 0 | 110.3 | C55 C58 D64 T78 C79 V80 | C55-H76 VanDerWaalsContact CB-CE1 3.41Å; C55-H76 WeakPolarHBondContact CB-CE1 3.45Å; C55-H76 WeakPolarHBondContact CB-ND1 3.29Å; C55-H76 PolarHBondContact SG-ND1 2.9Å; C55-H76 VanDerWaalsContact SG-ND1 3.36Å; C58-H76 PolarHBondContact SG-CE1 2.95Å; C58-H76 PolarHBondContact SG-ND1 3.42Å; D64-H76 IonicContact OD2-CD2 2.7Å; D64-H76 PolarHBondContact OD2-CD2 2.77Å; D64-H76 VanDerWaalsContact OD2-CD2 3.28Å; D64-H76 IonicContact OD2-CG 3.52Å; H76-T78 PolarHBondContact O-N 3.18Å; H76-C79 HydrophobicContact CB-CB 4.02Å; H76-C79 PolarHBondContact O-N 3.06Å; H76-V80 PolarHBondContact O-N 3.07Å | ||
| 77 | E | 91.1 | Very high | 92.3 | Very high | 123 Ų | 123 | 58 Ų | 58 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -54.5 | -40.3 | 174.6 | -174.2 | 171.8 | -157.3 | 0 | 0 | 112.1 | L68 C79 V80 | L68-E77 HydrophobicContact CD1-CB 3.84Å; L68-E77 HydrophobicContact CD1-CG 4.3Å; E77-C79 VanDerWaalsContact C-N 3.29Å; E77-C79 PolarHBondContact O-N 2.9Å; E77-V80 PolarHBondContact O-N 3.13Å |
| 78 | T | 91.9 | Very high | 92.4 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -72.9 | -16.7 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | H76 | H76-T78 PolarHBondContact O-N 3.18Š|
| 79 | C | 93.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 11% | 0.108 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -93.5 | -16.2 | 179.4 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | C55 C58 W75 H76 E77 K81 | C55-C79 VanDerWaalsContact SG-CB 3.55Å; C58-C79 VanDerWaalsContact SG-SG 3.69Å; W75-C79 HydrophobicContact CE3-CB 4.45Å; H76-C79 HydrophobicContact CB-CB 4.02Å; H76-C79 PolarHBondContact O-N 3.06Å; E77-C79 VanDerWaalsContact C-N 3.29Å; E77-C79 PolarHBondContact O-N 2.9Å; C79-K81 VanDerWaalsContact C-N 3.3Å; C79-K81 PolarHBondContact O-N 3.02Å |
| 80 | V | 93.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | trans | -78.1 | 80.3 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | L68 W75 H76 E77 A88 L89 L100 | L68-V80 HydrophobicContact CB-CG2 4.01Å; L68-V80 HydrophobicContact CD2-CB 4.29Å; L68-V80 HydrophobicContact CD2-CG1 4.32Å; L68-V80 HydrophobicContact CD2-CG2 4.02Å; W75-V80 HydrophobicContact CB-CG2 3.36Å; W75-V80 HydrophobicContact CD2-CG2 4.41Å; W75-V80 HydrophobicContact CG-CG2 3.88Å; H76-V80 PolarHBondContact O-N 3.07Å; E77-V80 PolarHBondContact O-N 3.13Å; V80-A88 WeakPolarHBondContact O-CA 3.44Å; V80-L89 HydrophobicContact CG1-CB 3.91Å; V80-L89 WeakPolarHBondContact CG1-O 3.19Å; V80-L89 PolarHBondContact O-N 3.36Å; V80-L100 HydrophobicContact CG1-CD1 4.21Å | ||
| 81 | K | 95.1 | Very high | 92 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 154.5 | -176.9 | 67.2 | -166.8 | 173.8 | -167.8 | 0 | 112.1 | C79 A83 S87 | C79-K81 VanDerWaalsContact C-N 3.3Å; C79-K81 PolarHBondContact O-N 3.02Å; K81-A83 PolarHBondContact O-N 2.85Å; K81-S87 CarbonylContact C-O 3.52Å; K81-S87 VanDerWaalsContact CA-O 3.29Å; K81-S87 WeakPolarHBondContact CA-O 3.46Å |
| 82 | C | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -68 | 130.8 | 177.8 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | V84 C85 L86 S87 L89 L100 C102 D105 | C82-V84 PolarHBondContact O-N 3.48Å; C82-V84 PolarHBondContact SG-N 2.84Å; C82-V84 VanDerWaalsContact SG-N 3.43Å; C82-C85 WeakPolarHBondContact CB-SG 3.4Å; C82-L86 WeakPolarHBondContact O-CA 3.24Å; C82-L86 PolarHBondContact O-N 3.42Å; C82-S87 PolarHBondContact N-O 2.83Å; C82-L89 HydrophobicContact CB-CD1 4.5Å; C82-L89 HydrophobicContact CB-CD2 4.11Å; C82-L89 HydrophobicContact CB-CG 4.47Å; C82-L100 CarbonylContact C-O 3.53Å; C82-L100 WeakPolarHBondContact CA-O 3.33Å; C82-C102 HydrophobicContact CB-CB 4.19Å; C82-C102 PolarHBondContact SG-N 3.01Å; C82-D105 PolarHBondContact SG-OD2 3.2Å | ||
| 83 | A | 94.8 | Very high | 92.3 | Very high | 45 Ų | 45 | 57 Ų | 57 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K81 L99 L100 Y101 | K81-A83 PolarHBondContact O-N 2.85Å; A83-L99 HydrophobicContact CB-CB 4.08Å; A83-L99 HydrophobicContact CB-CD1 4.31Å; A83-L99 HydrophobicContact CB-CD2 4.33Å; A83-L99 HydrophobicContact CB-CG 4.48Å; A83-L100 PolarHBondContact N-O 2.86Å; A83-Y101 HydrophobicContact CB-CE1 4.26Å |
| 84 | V | 95.3 | Very high | 92.4 | Very high | 73 Ų | 73 | 53 Ų | 53 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -62.2 | -175.8 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | C82 Y101 D105 L109 | C82-V84 PolarHBondContact O-N 3.48Å; C82-V84 PolarHBondContact SG-N 2.84Å; C82-V84 VanDerWaalsContact SG-N 3.43Å; V84-Y101 HydrophobicContact CG2-CD1 3.82Å; V84-Y101 HydrophobicContact CG2-CE1 3.78Å; V84-D105 HydrophobicContact CB-CB 3.94Å; V84-D105 HydrophobicContact CG1-CB 4.17Å; V84-D105 HydrophobicContact CG2-CB 4.13Å; V84-L109 HydrophobicContact CG2-CD1 3.6Å |
| 85 | C | 95.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 54 Ų | 54 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.2 | -178.6 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | C82 S87 D105 | C82-C85 WeakPolarHBondContact CB-SG 3.4Å; C85-S87 PolarHBondContact O-N 3.07Å; C85-S87 PolarHBondContact O-OG 2.86Å; C85-D105 WeakPolarHBondContact CB-OD2 3.44Å; C85-D105 PolarHBondContact SG-OD2 3.04Å |
| 86 | L | 94.4 | Very high | 92.2 | Very high | 121 Ų | 121 | 56.7 Ų | 56.7 | 63% | 0.634 | 34% | 0.34 | S | S | * | . | trans | 55.6 | 6.5 | -179.4 | -56.3 | 178.2 | 0 | 0 | 0 | 115.9 | C82 | C82-L86 WeakPolarHBondContact O-CA 3.24Å; C82-L86 PolarHBondContact O-N 3.42Å | ||
| 87 | S | 94.4 | Very high | 92 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | trans | -70.6 | 140 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | K81 C82 C85 | K81-S87 CarbonylContact C-O 3.52Å; K81-S87 VanDerWaalsContact CA-O 3.29Å; K81-S87 WeakPolarHBondContact CA-O 3.46Å; C82-S87 PolarHBondContact N-O 2.83Å; C85-S87 PolarHBondContact O-N 3.07Å; C85-S87 PolarHBondContact O-OG 2.86Å | ||
| 88 | A | 93.1 | Very high | 91.8 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -59.1 | 137.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V80 | V80-A88 WeakPolarHBondContact O-CA 3.44Å |
| 89 | L | 92.7 | Very high | 91.8 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | trans | -102.9 | 111.3 | -175.6 | -61.8 | 169.3 | 0 | 0 | 0 | 109.9 | V80 C82 C93 L100 C102 | V80-L89 HydrophobicContact CG1-CB 3.91Å; V80-L89 WeakPolarHBondContact CG1-O 3.19Å; V80-L89 PolarHBondContact O-N 3.36Å; C82-L89 HydrophobicContact CB-CD1 4.5Å; C82-L89 HydrophobicContact CB-CD2 4.11Å; C82-L89 HydrophobicContact CB-CG 4.47Å; L89-C93 HydrophobicContact CB-CB 4.28Å; L89-C93 HydrophobicContact CD1-CB 3.84Å; L89-L100 HydrophobicContact CD1-CB 3.63Å; L89-C102 HydrophobicContact CD2-CB 3.51Å | ||
| 90 | T | 85.6 | Confident | 91.8 | Very high | 124 Ų | 124 | 61.8 Ų | 61.8 | 76% | 0.761 | 35% | 0.353 | S | S | * | . | trans | -107.5 | 140.1 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | T92 | T90-T92 VanDerWaalsContact C-N 3.31Å; T90-T92 PolarHBondContact O-N 3.11Å | ||
| 91 | G | 83.4 | Confident | 91.8 | Very high | 47 Ų | 47 | 62.6 Ų | 62.6 | 49% | 0.485 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 75 | -69.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S33 C34 | S33-G91 WeakPolarHBondContact CA-O 3.2Å; C34-G91 PolarHBondContact N-O 3.12Å |
| 92 | T | 88.3 | Confident | 91.8 | Very high | 71 Ų | 71 | 59 Ų | 59 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 148.8 | -178.1 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | Q32 T90 | Q32-T92 VanDerWaalsContact O-CA 3.31Å; Q32-T92 WeakPolarHBondContact O-CA 3.34Å; T90-T92 VanDerWaalsContact C-N 3.31Å; T90-T92 PolarHBondContact O-N 3.11Å |
| 93 | C | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 170.3 | 173.8 | 65.4 | 0 | 0 | 0 | 0 | 112 | Q32 C34 V70 L89 | Q32-C93 PolarHBondContact N-O 2.85Å; Q32-C93 PolarHBondContact O-N 3.02Å; C34-C93 VanDerWaalsContact SG-SG 3.61Å; V70-C93 VanDerWaalsContact CG1-SG 3.5Å; L89-C93 HydrophobicContact CB-CB 4.28Å; L89-C93 HydrophobicContact CD1-CB 3.84Å |
| 94 | Y | 92.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 69 Ų | 69 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.7 | 170.6 | -67.3 | -94.1 | 0 | 0 | 0 | 108.9 | Q31 Y101 K103 Y106 | Q31-Y94 HydrophobicContact CB-CE1 4.19Å; Q31-Y94 PolarHBondContact NE2-OH 3.32Å; Y94-Y101 PolarHBondContact N-O 2.84Å; Y94-Y101 PolarHBondContact O-N 3.05Å; Y94-K103 HydrophobicContact CE2-CB 3.88Å; Y94-K103 HydrophobicContact CE2-CG 4.02Å; Y94-Y106 AromaticContact CD1-CD1 3.43Å; Y94-Y106 HydrophobicContact CD1-CD1 3.43Å; Y94-Y106 VanDerWaalsContact CD1-CD1 3.43Å; Y94-Y106 HydrophobicContact CD1-CD2 4.28Å; Y94-Y106 AromaticContact CD1-CE1 3.48Å; Y94-Y106 HydrophobicContact CD1-CE1 3.48Å; Y94-Y106 VanDerWaalsContact CD1-CE1 3.48Å; Y94-Y106 HydrophobicContact CD1-CE2 4.33Å; Y94-Y106 AromaticContact CD1-CG 3.86Å; Y94-Y106 HydrophobicContact CD1-CG 3.86Å; Y94-Y106 AromaticContact CD1-CZ 3.95Å; Y94-Y106 HydrophobicContact CD2-CD1 4.14Å; Y94-Y106 HydrophobicContact CD2-CG 4.03Å; Y94-Y106 AromaticContact CE1-CD1 3.85Å; Y94-Y106 HydrophobicContact CE1-CD1 3.85Å; Y94-Y106 AromaticContact CE1-CE1 3.93Å; Y94-Y106 HydrophobicContact CE1-CE1 3.93Å; Y94-Y106 AromaticContact CG-CD1 3.59Å; Y94-Y106 HydrophobicContact CG-CD1 3.59Å; Y94-Y106 AromaticContact CG-CD2 3.92Å; Y94-Y106 HydrophobicContact CG-CD2 3.92Å; Y94-Y106 HydrophobicContact CG-CE1 4.05Å; Y94-Y106 HydrophobicContact CG-CE2 4.36Å; Y94-Y106 AromaticContact CG-CG 3.52Å; Y94-Y106 HydrophobicContact CG-CG 3.52Å |
| 95 | C | 91.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 66 Ų | 66 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.8 | 174.8 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | N71 L99 L100 | N71-C95 HydrophobicContact CB-CB 4.14Å; N71-C95 PolarHBondContact ND2-SG 3.18Å; C95-L99 WeakPolarHBondContact CA-O 3.34Å; C95-L100 HydrophobicContact CB-CD2 3.95Å |
| 96 | R | 90 | Very high | 91.2 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 133.4 | 175.6 | -165.9 | -165.9 | 169.3 | 90.7 | 9.2 | 109.8 | R98 L99 Y101 Y106 | R96-R98 PolarHBondContact O-N 3.43Å; R96-R98 VanDerWaalsContact O-N 3.13Å; R96-L99 PolarHBondContact N-O 2.91Å; R96-L99 WeakPolarHBondContact O-CA 3.42Å; R96-L99 PolarHBondContact O-N 3.26Å; R96-L99 VanDerWaalsContact O-O 3.14Å; R96-Y101 HydrophobicContact CB-CD2 4.28Å; R96-Y101 HydrophobicContact CB-CE2 3.91Å; R96-Y106 HydrophobicContact CB-CE2 4.2Å |
| 97 | D | 88.6 | Confident | 91 | Very high | 115 Ų | 115 | 61.5 Ų | 61.5 | 62% | 0.615 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 35.7 | 176.9 | -52.4 | -41.1 | 0 | 0 | 0 | 113.1 | L99 | D97-L99 PolarHBondContact O-N 2.82Š|
| 98 | R | 86.8 | Confident | 90.6 | Very high | 179 Ų | 179 | 65.4 Ų | 65.4 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 2.3 | -172.1 | -56.8 | -177.6 | -71.2 | -106.7 | 2.8 | 116.2 | R96 | R96-R98 PolarHBondContact O-N 3.43Å; R96-R98 VanDerWaalsContact O-N 3.13Å |
| 99 | L | 91.6 | Very high | 90.3 | Very high | 85 Ų | 85 | 66.3 Ų | 66.3 | 45% | 0.445 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 147 | 175.5 | -62.6 | 175.7 | 0 | 0 | 0 | 111.4 | A83 C95 R96 D97 Y101 | A83-L99 HydrophobicContact CB-CB 4.08Å; A83-L99 HydrophobicContact CB-CD1 4.31Å; A83-L99 HydrophobicContact CB-CD2 4.33Å; A83-L99 HydrophobicContact CB-CG 4.48Å; C95-L99 WeakPolarHBondContact CA-O 3.34Å; R96-L99 PolarHBondContact N-O 2.91Å; R96-L99 WeakPolarHBondContact O-CA 3.42Å; R96-L99 PolarHBondContact O-N 3.26Å; R96-L99 VanDerWaalsContact O-O 3.14Å; D97-L99 PolarHBondContact O-N 2.82Å; L99-Y101 HydrophobicContact CB-CE2 3.67Å; L99-Y101 WeakPolarHBondContact CD1-OH 3.37Å |
| 100 | L | 93.4 | Very high | 90 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 138.7 | 176.4 | -56.4 | -177 | 0 | 0 | 0 | 110.8 | V70 W75 V80 C82 A83 L89 C95 | V70-L100 HydrophobicContact CG1-CD2 3.75Å; W75-L100 HydrophobicContact CD2-CD1 4.08Å; W75-L100 HydrophobicContact CE3-CD1 4.07Å; W75-L100 HydrophobicContact CH2-CD1 3.97Å; W75-L100 HydrophobicContact CH2-CD2 4.46Å; W75-L100 HydrophobicContact CH2-CG 3.85Å; W75-L100 HydrophobicContact CZ2-CD1 3.94Å; W75-L100 HydrophobicContact CZ2-CD2 4.1Å; W75-L100 HydrophobicContact CZ2-CG 3.93Å; W75-L100 HydrophobicContact CZ3-CD1 4.01Å; W75-L100 HydrophobicContact CZ3-CG 4.29Å; V80-L100 HydrophobicContact CG1-CD1 4.21Å; C82-L100 CarbonylContact C-O 3.53Å; C82-L100 WeakPolarHBondContact CA-O 3.33Å; A83-L100 PolarHBondContact N-O 2.86Å; L89-L100 HydrophobicContact CD1-CB 3.63Å; C95-L100 HydrophobicContact CB-CD2 3.95Å |
| 101 | Y | 94 | Very high | 90.2 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 8% | 0.075 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.5 | -178.5 | -60 | -91.3 | 0 | 0 | 0 | 111.3 | A83 V84 Y94 R96 L99 Y106 L109 F110 | A83-Y101 HydrophobicContact CB-CE1 4.26Å; V84-Y101 HydrophobicContact CG2-CD1 3.82Å; V84-Y101 HydrophobicContact CG2-CE1 3.78Å; Y94-Y101 PolarHBondContact N-O 2.84Å; Y94-Y101 PolarHBondContact O-N 3.05Å; R96-Y101 HydrophobicContact CB-CD2 4.28Å; R96-Y101 HydrophobicContact CB-CE2 3.91Å; L99-Y101 HydrophobicContact CB-CE2 3.67Å; L99-Y101 WeakPolarHBondContact CD1-OH 3.37Å; Y101-Y106 HydrophobicContact CD2-CD2 4.28Å; Y101-Y106 HydrophobicContact CG-CD2 4.29Å; Y101-L109 HydrophobicContact CE1-CD1 4.39Å; Y101-F110 AromaticContact CD1-CE2 3.92Å; Y101-F110 HydrophobicContact CD1-CE2 3.92Å; Y101-F110 HydrophobicContact CD2-CE2 4.17Å; Y101-F110 AromaticContact CE1-CE2 3.73Å; Y101-F110 HydrophobicContact CE1-CE2 3.73Å; Y101-F110 AromaticContact CE1-CZ 3.89Å; Y101-F110 HydrophobicContact CE1-CZ 3.89Å; Y101-F110 AromaticContact CE2-CE2 4Å; Y101-F110 HydrophobicContact CE2-CE2 4Å; Y101-F110 HydrophobicContact CE2-CZ 4.18Å; Y101-F110 HydrophobicContact CG-CE2 4.14Å; Y101-F110 AromaticContact CZ-CE2 3.77Å; Y101-F110 AromaticContact CZ-CZ 3.69Å |
| 102 | C | 93.5 | Very high | 90.4 | Very high | 25 Ų | 25 | 68.5 Ų | 68.5 | 17% | 0.169 | 32% | 0.316 | C | S | . | . | trans | -72 | 158.1 | 165.7 | 85 | 0 | 0 | 0 | 0 | 109.6 | C82 L89 H104 D105 Y106 | C82-C102 HydrophobicContact CB-CB 4.19Å; C82-C102 PolarHBondContact SG-N 3.01Å; L89-C102 HydrophobicContact CD2-CB 3.51Å; C102-H104 VanDerWaalsContact C-N 3.26Å; C102-H104 PolarHBondContact O-N 2.91Å; C102-D105 PolarHBondContact O-N 3.36Å; C102-D105 PolarHBondContact SG-N 2.77Å; C102-D105 PolarHBondContact SG-OD2 2.86Å; C102-Y106 VanDerWaalsContact O-CB 3.31Å; C102-Y106 WeakPolarHBondContact O-CB 3.49Å; C102-Y106 PolarHBondContact O-N 3.41Å | ||
| 103 | K | 91.4 | Very high | 90.6 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53 | -43 | 178.2 | -178.6 | 173.6 | 176.1 | 175 | 0 | 112.8 | Y94 E107 | Y94-K103 HydrophobicContact CE2-CB 3.88Å; Y94-K103 HydrophobicContact CE2-CG 4.02Å; K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.43Å; K103-E107 WeakPolarHBondContact CG-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 2.69Å; K103-E107 WeakPolarHBondContact O-CB 3.31Å; K103-E107 WeakPolarHBondContact O-CG 3.32Å; K103-E107 PolarHBondContact O-N 3.45Å |
| 104 | H | 91.7 | Very high | 90.6 | Very high | 131 Ų | 131 | 69 Ų | 69 | 61% | 0.606 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -52.1 | -178.1 | -178.5 | 84.6 | 0 | 0 | 0 | 112.3 | C102 E107 K108 | C102-H104 VanDerWaalsContact C-N 3.26Å; C102-H104 PolarHBondContact O-N 2.91Å; H104-E107 PolarHBondContact O-N 2.89Å; H104-K108 VanDerWaalsContact O-CB 3.28Å; H104-K108 WeakPolarHBondContact O-CB 3.48Å; H104-K108 PolarHBondContact O-N 3.15Å |
| 105 | D | 93.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.3 | -36.7 | -178.2 | -63.8 | -45.7 | 0 | 0 | 0 | 111.6 | C82 V84 C85 C102 K108 L109 | C82-D105 PolarHBondContact SG-OD2 3.2Å; V84-D105 HydrophobicContact CB-CB 3.94Å; V84-D105 HydrophobicContact CG1-CB 4.17Å; V84-D105 HydrophobicContact CG2-CB 4.13Å; C85-D105 WeakPolarHBondContact CB-OD2 3.44Å; C85-D105 PolarHBondContact SG-OD2 3.04Å; C102-D105 PolarHBondContact O-N 3.36Å; C102-D105 PolarHBondContact SG-N 2.77Å; C102-D105 PolarHBondContact SG-OD2 2.86Å; D105-K108 PolarHBondContact O-N 2.92Å; D105-L109 WeakPolarHBondContact O-CB 3.32Å; D105-L109 VanDerWaalsContact O-CG 3.32Å; D105-L109 WeakPolarHBondContact O-CG 3.23Å; D105-L109 PolarHBondContact O-N 2.85Å |
| 106 | Y | 92.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 71.3 Ų | 71.3 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.2 | -171 | -95.1 | 0 | 0 | 0 | 111.8 | Y94 R96 Y101 C102 K108 L109 F110 I111 | Y94-Y106 AromaticContact CD1-CD1 3.43Å; Y94-Y106 HydrophobicContact CD1-CD1 3.43Å; Y94-Y106 VanDerWaalsContact CD1-CD1 3.43Å; Y94-Y106 HydrophobicContact CD1-CD2 4.28Å; Y94-Y106 AromaticContact CD1-CE1 3.48Å; Y94-Y106 HydrophobicContact CD1-CE1 3.48Å; Y94-Y106 VanDerWaalsContact CD1-CE1 3.48Å; Y94-Y106 HydrophobicContact CD1-CE2 4.33Å; Y94-Y106 AromaticContact CD1-CG 3.86Å; Y94-Y106 HydrophobicContact CD1-CG 3.86Å; Y94-Y106 AromaticContact CD1-CZ 3.95Å; Y94-Y106 HydrophobicContact CD2-CD1 4.14Å; Y94-Y106 HydrophobicContact CD2-CG 4.03Å; Y94-Y106 AromaticContact CE1-CD1 3.85Å; Y94-Y106 HydrophobicContact CE1-CD1 3.85Å; Y94-Y106 AromaticContact CE1-CE1 3.93Å; Y94-Y106 HydrophobicContact CE1-CE1 3.93Å; Y94-Y106 AromaticContact CG-CD1 3.59Å; Y94-Y106 HydrophobicContact CG-CD1 3.59Å; Y94-Y106 AromaticContact CG-CD2 3.92Å; Y94-Y106 HydrophobicContact CG-CD2 3.92Å; Y94-Y106 HydrophobicContact CG-CE1 4.05Å; Y94-Y106 HydrophobicContact CG-CE2 4.36Å; Y94-Y106 AromaticContact CG-CG 3.52Å; Y94-Y106 HydrophobicContact CG-CG 3.52Å; R96-Y106 HydrophobicContact CB-CE2 4.2Å; Y101-Y106 HydrophobicContact CD2-CD2 4.28Å; Y101-Y106 HydrophobicContact CG-CD2 4.29Å; C102-Y106 VanDerWaalsContact O-CB 3.31Å; C102-Y106 WeakPolarHBondContact O-CB 3.49Å; C102-Y106 PolarHBondContact O-N 3.41Å; Y106-K108 VanDerWaalsContact C-N 3.29Å; Y106-K108 PolarHBondContact O-N 3.43Å; Y106-L109 PolarHBondContact O-N 3.14Å; Y106-F110 AromaticContact CD2-CD2 3.37Å; Y106-F110 HydrophobicContact CD2-CD2 3.37Å; Y106-F110 AromaticContact CD2-CE2 3.86Å; Y106-F110 HydrophobicContact CD2-CE2 3.86Å; Y106-F110 HydrophobicContact CD2-CG 4.37Å; Y106-F110 HydrophobicContact CE2-CB 4.37Å; Y106-F110 AromaticContact CE2-CD2 3.58Å; Y106-F110 HydrophobicContact CE2-CD2 3.58Å; Y106-F110 HydrophobicContact CE2-CE2 4.21Å; Y106-F110 HydrophobicContact CE2-CG 4.21Å; Y106-F110 AromaticContact CG-CD2 3.99Å; Y106-F110 HydrophobicContact CG-CD2 3.99Å; Y106-F110 PolarHBondContact O-N 3.43Å; Y106-I111 HydrophobicContact CD1-CD1 4.05Å; Y106-I111 HydrophobicContact CD1-CG1 4.39Å; Y106-I111 HydrophobicContact CE1-CD1 4.03Å; Y106-I111 HydrophobicContact CE1-CG1 4.24Å |
| 107 | E | 89.6 | Confident | 90.8 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -37.1 | 174.8 | -79.1 | -173.4 | -148.8 | 0 | 0 | 112.5 | K103 H104 I111 K113 | K103-E107 WeakPolarHBondContact CE-OE1 3.47Å; K103-E107 HydrophobicContact CG-CG 4.43Å; K103-E107 WeakPolarHBondContact CG-OE1 3.36Å; K103-E107 IonicContact NZ-OE1 2.69Å; K103-E107 WeakPolarHBondContact O-CB 3.31Å; K103-E107 WeakPolarHBondContact O-CG 3.32Å; K103-E107 PolarHBondContact O-N 3.45Å; H104-E107 PolarHBondContact O-N 2.89Å; E107-I111 HydrophobicContact CG-CD1 3.98Å; E107-I111 WeakPolarHBondContact O-CB 3.47Å; E107-I111 PolarHBondContact O-N 3.04Å; E107-K113 IonicContact OE2-NZ 3.8Å; E107-K113 PolarHBondContact OE2-NZ 3.2Å |
| 108 | K | 86.3 | Confident | 90.9 | Very high | 149 Ų | 149 | 70.8 Ų | 70.8 | 65% | 0.648 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -73.5 | -38 | -177.8 | -177.3 | -178.5 | 175.9 | -172.8 | 0 | 112.9 | H104 D105 Y106 | H104-K108 VanDerWaalsContact O-CB 3.28Å; H104-K108 WeakPolarHBondContact O-CB 3.48Å; H104-K108 PolarHBondContact O-N 3.15Å; D105-K108 PolarHBondContact O-N 2.92Å; Y106-K108 VanDerWaalsContact C-N 3.29Å; Y106-K108 PolarHBondContact O-N 3.43Å |
| 109 | L | 87.2 | Confident | 91.1 | Very high | 97 Ų | 97 | 68.3 Ų | 68.3 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -90.2 | -41.4 | -174.1 | -67.1 | 176.2 | 0 | 0 | 0 | 113.2 | V84 Y101 D105 Y106 | V84-L109 HydrophobicContact CG2-CD1 3.6Å; Y101-L109 HydrophobicContact CE1-CD1 4.39Å; D105-L109 WeakPolarHBondContact O-CB 3.32Å; D105-L109 VanDerWaalsContact O-CG 3.32Å; D105-L109 WeakPolarHBondContact O-CG 3.23Å; D105-L109 PolarHBondContact O-N 2.85Å; Y106-L109 PolarHBondContact O-N 3.14Å |
| 110 | F | 86.9 | Confident | 91 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -110.4 | -20.8 | -167.6 | -52.8 | -66.8 | 0 | 0 | 0 | 114.1 | Y101 Y106 | Y101-F110 AromaticContact CD1-CE2 3.92Å; Y101-F110 HydrophobicContact CD1-CE2 3.92Å; Y101-F110 HydrophobicContact CD2-CE2 4.17Å; Y101-F110 AromaticContact CE1-CE2 3.73Å; Y101-F110 HydrophobicContact CE1-CE2 3.73Å; Y101-F110 AromaticContact CE1-CZ 3.89Å; Y101-F110 HydrophobicContact CE1-CZ 3.89Å; Y101-F110 AromaticContact CE2-CE2 4Å; Y101-F110 HydrophobicContact CE2-CE2 4Å; Y101-F110 HydrophobicContact CE2-CZ 4.18Å; Y101-F110 HydrophobicContact CG-CE2 4.14Å; Y101-F110 AromaticContact CZ-CE2 3.77Å; Y101-F110 AromaticContact CZ-CZ 3.69Å; Y106-F110 AromaticContact CD2-CD2 3.37Å; Y106-F110 HydrophobicContact CD2-CD2 3.37Å; Y106-F110 AromaticContact CD2-CE2 3.86Å; Y106-F110 HydrophobicContact CD2-CE2 3.86Å; Y106-F110 HydrophobicContact CD2-CG 4.37Å; Y106-F110 HydrophobicContact CE2-CB 4.37Å; Y106-F110 AromaticContact CE2-CD2 3.58Å; Y106-F110 HydrophobicContact CE2-CD2 3.58Å; Y106-F110 HydrophobicContact CE2-CE2 4.21Å; Y106-F110 HydrophobicContact CE2-CG 4.21Å; Y106-F110 AromaticContact CG-CD2 3.99Å; Y106-F110 HydrophobicContact CG-CD2 3.99Å; Y106-F110 PolarHBondContact O-N 3.43Å |
| 111 | I | 88.8 | Confident | 91 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | trans | -97.2 | 111.8 | -175.5 | -62.6 | -175.8 | 0 | 0 | 0 | 110.7 | Y106 E107 K113 V120 | Y106-I111 HydrophobicContact CD1-CD1 4.05Å; Y106-I111 HydrophobicContact CD1-CG1 4.39Å; Y106-I111 HydrophobicContact CE1-CD1 4.03Å; Y106-I111 HydrophobicContact CE1-CG1 4.24Å; E107-I111 HydrophobicContact CG-CD1 3.98Å; E107-I111 WeakPolarHBondContact O-CB 3.47Å; E107-I111 PolarHBondContact O-N 3.04Å; I111-K113 HydrophobicContact CG2-CG 4.08Å; I111-K113 PolarHBondContact O-N 2.8Å; I111-V120 HydrophobicContact CG2-CB 4.12Å; I111-V120 HydrophobicContact CG2-CG1 3.65Å; I111-V120 HydrophobicContact CG2-CG2 3.51Å | ||
| 112 | R | 88.8 | Confident | 90.6 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | trans | -78.3 | 119.2 | 172.2 | -62.3 | -60.3 | -62.3 | -157.2 | 2.6 | 109.5 | I121 G132 V134 | R112-I121 HydrophobicContact CB-CD1 4.49Å; R112-I121 PolarHBondContact O-N 3.41Å; R112-G132 PolarHBondContact NH2-O 3.42Å; R112-V134 VanDerWaalsContact NH2-CG1 3.32Å | ||
| 113 | K | 91.7 | Very high | 90 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -108.1 | 138.9 | 177.5 | -60.3 | -178.4 | -176.5 | -179 | 0 | 110.7 | E107 I111 S115 Q119 V134 | E107-K113 IonicContact OE2-NZ 3.8Å; E107-K113 PolarHBondContact OE2-NZ 3.2Å; I111-K113 HydrophobicContact CG2-CG 4.08Å; I111-K113 PolarHBondContact O-N 2.8Å; K113-S115 PolarHBondContact O-N 2.92Å; K113-Q119 CarbonylContact C-O 3.55Å; K113-Q119 VanDerWaalsContact CA-O 3.29Å; K113-Q119 WeakPolarHBondContact CA-O 3.47Å; K113-V134 WeakPolarHBondContact O-CG2 3.44Å |
| 114 | C | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | trans | -63.9 | 128.8 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | A116 C117 L118 Q119 I121 V134 H136 | C114-A116 PolarHBondContact O-N 3.05Å; C114-A116 PolarHBondContact SG-N 3.43Å; C114-C117 VanDerWaalsContact SG-SG 3.66Å; C114-L118 WeakPolarHBondContact O-CA 3.36Å; C114-L118 PolarHBondContact O-N 2.89Å; C114-Q119 PolarHBondContact N-O 3.06Å; C114-I121 HydrophobicContact CB-CD1 4.23Å; C114-I121 HydrophobicContact CB-CG1 4.11Å; C114-V134 CarbonylContact C-O 3.52Å; C114-V134 WeakPolarHBondContact CA-O 3.22Å; C114-H136 WeakPolarHBondContact CB-CE1 3.36Å; C114-H136 WeakPolarHBondContact CB-ND1 3.27Å | ||
| 115 | S | 92.3 | Very high | 89.6 | Confident | 38 Ų | 38 | 74.3 Ų | 74.3 | 27% | 0.266 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.3 | -175.6 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | K113 Q133 V134 | K113-S115 PolarHBondContact O-N 2.92Å; S115-Q133 PolarHBondContact OG-NE2 3.44Å; S115-V134 PolarHBondContact N-O 3.32Å; S115-V134 PolarHBondContact OG-O 2.93Å |
| 116 | A | 92.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 80 Ų | 80 | 49% | 0.488 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -51.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C114 Y135 C139 | C114-A116 PolarHBondContact O-N 3.05Å; C114-A116 PolarHBondContact SG-N 3.43Å; A116-Y135 HydrophobicContact CB-CD1 3.75Å; A116-Y135 HydrophobicContact CB-CE1 4.02Å; A116-C139 HydrophobicContact CB-CB 3.89Å |
| 117 | C | 92.8 | Very high | 89.7 | Confident | 48 Ų | 48 | 81 Ų | 81 | 32% | 0.324 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.9 | -177.5 | 71.3 | 0 | 0 | 0 | 0 | 114.8 | C114 Q119 H136 | C114-C117 VanDerWaalsContact SG-SG 3.66Å; C117-Q119 PolarHBondContact O-N 3.09Å; C117-H136 PolarHBondContact SG-CE1 3.33Å; C117-H136 PolarHBondContact SG-ND1 2.94Å |
| 118 | L | 90.6 | Very high | 89.9 | Confident | 125 Ų | 125 | 80 Ų | 80 | 65% | 0.654 | 42% | 0.416 | S | S | * | . | trans | 60.8 | 4.1 | -178.7 | -53 | 178.7 | 0 | 0 | 0 | 116.2 | C114 | C114-L118 WeakPolarHBondContact O-CA 3.36Å; C114-L118 PolarHBondContact O-N 2.89Å | ||
| 119 | Q | 91.6 | Very high | 90.2 | Very high | 128 Ų | 128 | 81 Ų | 81 | 60% | 0.598 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 155.8 | 173.5 | -57.9 | -53.3 | -36.8 | 0 | 0 | 111.7 | K113 C114 C117 | K113-Q119 CarbonylContact C-O 3.55Å; K113-Q119 VanDerWaalsContact CA-O 3.29Å; K113-Q119 WeakPolarHBondContact CA-O 3.47Å; C114-Q119 PolarHBondContact N-O 3.06Å; C117-Q119 PolarHBondContact O-N 3.09Å |
| 120 | V | 90.5 | Very high | 90.4 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 134.2 | 173.8 | 179 | 0 | 0 | 0 | 0 | 109.6 | I111 | I111-V120 HydrophobicContact CG2-CB 4.12Å; I111-V120 HydrophobicContact CG2-CG1 3.65Å; I111-V120 HydrophobicContact CG2-CG2 3.51Å |
| 121 | I | 91.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 81.2 Ų | 81.2 | 10% | 0.103 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 126.9 | 173.9 | -67.2 | 161.7 | 0 | 0 | 0 | 108.5 | R112 C114 E125 I127 V134 H136 | R112-I121 HydrophobicContact CB-CD1 4.49Å; R112-I121 PolarHBondContact O-N 3.41Å; C114-I121 HydrophobicContact CB-CD1 4.23Å; C114-I121 HydrophobicContact CB-CG1 4.11Å; I121-E125 HydrophobicContact CG2-CB 4.42Å; I121-I127 HydrophobicContact CD1-CG2 4.14Å; I121-I127 HydrophobicContact CG1-CG2 4.32Å; I121-I127 HydrophobicContact CG2-CG2 3.45Å; I121-I127 VanDerWaalsContact CG2-CG2 3.45Å; I121-V134 HydrophobicContact CD1-CB 3.71Å; I121-V134 HydrophobicContact CD1-CG2 3.49Å; I121-V134 VanDerWaalsContact CD1-CG2 3.49Å; I121-H136 WeakPolarHBondContact CG1-NE2 3.42Å |
| 122 | G | 86.7 | Confident | 90.4 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 150.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S124 E125 | G122-S124 VanDerWaalsContact C-N 3.28Å; G122-S124 PolarHBondContact O-N 3.46Å; G122-E125 PolarHBondContact N-OE2 2.93Å; G122-E125 WeakPolarHBondContact O-CB 3.2Å; G122-E125 PolarHBondContact O-N 3.49Å; G122-E125 VanDerWaalsContact O-N 3.09Å |
| 123 | R | 79.8 | Confident | 90.4 | Very high | 160 Ų | 160 | 80.5 Ų | 80.5 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -30 | -172.6 | -58.7 | 178.3 | -156.2 | 144.2 | 7.4 | 114 | T27 E29 | T27-R123 VanDerWaalsContact CB-CZ 3.48Å; T27-R123 VanDerWaalsContact CB-NH1 3.29Å; T27-R123 PolarHBondContact O-NH1 2.95Å; T27-R123 PolarHBondContact O-NH2 3.31Å; T27-R123 PolarHBondContact OG1-NH1 3.39Å; E29-R123 IonicContact OE2-NH2 2.64Å |
| 124 | S | 84.1 | Confident | 90.5 | Very high | 123 Ų | 123 | 76.8 Ų | 76.8 | 86% | 0.86 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 3.7 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 112.8 | G122 | G122-S124 VanDerWaalsContact C-N 3.28Å; G122-S124 PolarHBondContact O-N 3.46Å |
| 125 | E | 92.1 | Very high | 90.5 | Very high | 99 Ų | 99 | 77 Ų | 77 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | trans | -78.3 | 132.3 | 179.6 | -67.9 | -175.2 | 158.6 | 0 | 0 | 111 | I121 G122 H136 | I121-E125 HydrophobicContact CG2-CB 4.42Å; G122-E125 PolarHBondContact N-OE2 2.93Å; G122-E125 WeakPolarHBondContact O-CB 3.2Å; G122-E125 PolarHBondContact O-N 3.49Å; G122-E125 VanDerWaalsContact O-N 3.09Å; E125-H136 IonicContact OE2-CD2 3.41Å; E125-H136 PolarHBondContact OE2-CD2 3.43Å; E125-H136 IonicContact OE2-NE2 3.83Å | ||
| 126 | L | 91.8 | Very high | 90.7 | Very high | 130 Ų | 130 | 76.6 Ų | 76.6 | 68% | 0.681 | 42% | 0.416 | S | S | * | . | trans | -70 | 138.2 | 173.2 | -64 | 177.2 | 0 | 0 | 0 | 110.3 | L137 | L126-L137 HydrophobicContact CB-CD1 3.6Å; L126-L137 HydrophobicContact CB-CD2 4.47Å; L126-L137 HydrophobicContact CB-CG 3.94Å; L126-L137 HydrophobicContact CD1-CD1 4.13Å | ||
| 127 | I | 94.1 | Very high | 90.7 | Very high | 47 Ų | 47 | 77 Ų | 77 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 151.4 | -175.1 | 54.4 | 172.6 | 0 | 0 | 0 | 112.7 | I121 R129 V134 Y135 | I121-I127 HydrophobicContact CD1-CG2 4.14Å; I121-I127 HydrophobicContact CG1-CG2 4.32Å; I121-I127 HydrophobicContact CG2-CG2 3.45Å; I121-I127 VanDerWaalsContact CG2-CG2 3.45Å; I127-R129 HydrophobicContact CD1-CG 4.21Å; I127-R129 HydrophobicContact CG1-CG 4.46Å; I127-V134 HydrophobicContact CD1-CG1 4.19Å; I127-Y135 CarbonylContact C-O 3.57Å; I127-Y135 VanDerWaalsContact CA-O 3.23Å; I127-Y135 WeakPolarHBondContact CA-O 3.36Å; I127-Y135 VanDerWaalsContact CB-O 3.32Å; I127-Y135 WeakPolarHBondContact CB-O 3.42Å |
| 128 | M | 94.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 76.9 Ų | 76.9 | 17% | 0.167 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 139.3 | 164.1 | -62.6 | -61.7 | -81.6 | 0 | 0 | 109.4 | V134 Y135 L137 F140 | M128-V134 WeakPolarHBondContact O-CA 3.32Å; M128-Y135 PolarHBondContact N-O 3.47Å; M128-Y135 PolarHBondContact O-N 3.02Å; M128-L137 HydrophobicContact CG-CD2 3.84Å; M128-L137 HydrophobicContact SD-CD2 3.94Å; M128-F140 HydrophobicContact CB-CB 3.96Å; M128-F140 HydrophobicContact CB-CD1 3.93Å; M128-F140 HydrophobicContact CB-CD2 3.63Å; M128-F140 HydrophobicContact CB-CE1 4.36Å; M128-F140 HydrophobicContact CB-CE2 4.1Å; M128-F140 HydrophobicContact CB-CG 3.55Å; M128-F140 HydrophobicContact CB-CZ 4.46Å; M128-F140 HydrophobicContact CE-CD1 3.66Å; M128-F140 HydrophobicContact CE-CE1 3.52Å; M128-F140 HydrophobicContact CE-CG 4.5Å; M128-F140 HydrophobicContact CE-CZ 4.27Å; M128-F140 HydrophobicContact CG-CB 3.72Å; M128-F140 HydrophobicContact CG-CD1 3.58Å; M128-F140 HydrophobicContact CG-CD2 4.17Å; M128-F140 HydrophobicContact CG-CE1 4.25Å; M128-F140 HydrophobicContact CG-CG 3.54Å; M128-F140 HydrophobicContact SD-CD1 4.47Å |
| 129 | R | 93.4 | Very high | 91 | Very high | 169 Ų | 169 | 72.6 Ų | 72.6 | 64% | 0.638 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.4 | 176.8 | -62.4 | -165.6 | 173.1 | -124.3 | 4.1 | 109.5 | I127 Q133 V134 | I127-R129 HydrophobicContact CD1-CG 4.21Å; I127-R129 HydrophobicContact CG1-CG 4.46Å; R129-Q133 WeakPolarHBondContact CA-O 3.33Å; R129-V134 HydrophobicContact CG-CG1 4.16Å |
| 130 | V | 91.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 125 | -179.6 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | G132 Q133 F140 F155 L157 | V130-G132 VanDerWaalsContact C-N 3.26Å; V130-G132 PolarHBondContact O-N 3.42Å; V130-G132 VanDerWaalsContact O-N 3.13Å; V130-Q133 PolarHBondContact N-O 3.24Å; V130-Q133 WeakPolarHBondContact O-CA 3.16Å; V130-Q133 WeakPolarHBondContact O-CB 3.36Å; V130-Q133 PolarHBondContact O-N 2.85Å; V130-F140 HydrophobicContact CB-CE2 4.49Å; V130-F140 HydrophobicContact CG2-CE2 3.51Å; V130-F140 HydrophobicContact CG2-CZ 3.61Å; V130-F155 HydrophobicContact CB-CZ 4.43Å; V130-F155 HydrophobicContact CG1-CE2 3.84Å; V130-F155 HydrophobicContact CG1-CZ 3.89Å; V130-F155 HydrophobicContact CG2-CE2 4.06Å; V130-F155 HydrophobicContact CG2-CZ 3.61Å; V130-L157 HydrophobicContact CG1-CD2 4.11Å |
| 131 | L | 88.6 | Confident | 91.5 | Very high | 147 Ų | 147 | 64.2 Ų | 64.2 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 46.1 | 174.8 | -59.9 | 176.5 | 0 | 0 | 0 | 113.5 | Q133 L157 | L131-Q133 PolarHBondContact O-N 3.17Å; L131-L157 HydrophobicContact CB-CD2 4.36Å; L131-L157 HydrophobicContact CD1-CD2 4.19Å |
| 132 | G | 86.1 | Confident | 91.7 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -20.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R112 V130 | R112-G132 PolarHBondContact NH2-O 3.42Å; V130-G132 VanDerWaalsContact C-N 3.26Å; V130-G132 PolarHBondContact O-N 3.42Å; V130-G132 VanDerWaalsContact O-N 3.13Å |
| 133 | Q | 90.6 | Very high | 92 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 42% | 0.416 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 154.5 | 177.2 | -56 | -45.9 | 127.4 | 0 | 0 | 112.4 | S115 R129 V130 L131 Y135 | S115-Q133 PolarHBondContact OG-NE2 3.44Å; R129-Q133 WeakPolarHBondContact CA-O 3.33Å; V130-Q133 PolarHBondContact N-O 3.24Å; V130-Q133 WeakPolarHBondContact O-CA 3.16Å; V130-Q133 WeakPolarHBondContact O-CB 3.36Å; V130-Q133 PolarHBondContact O-N 2.85Å; L131-Q133 PolarHBondContact O-N 3.17Å; Q133-Y135 HydrophobicContact CB-CE2 3.62Å |
| 134 | V | 93.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.5 | -175.8 | -71.7 | 0 | 0 | 0 | 0 | 110.4 | R112 K113 C114 S115 I121 I127 M128 R129 | R112-V134 VanDerWaalsContact NH2-CG1 3.32Å; K113-V134 WeakPolarHBondContact O-CG2 3.44Å; C114-V134 CarbonylContact C-O 3.52Å; C114-V134 WeakPolarHBondContact CA-O 3.22Å; S115-V134 PolarHBondContact N-O 3.32Å; S115-V134 PolarHBondContact OG-O 2.93Å; I121-V134 HydrophobicContact CD1-CB 3.71Å; I121-V134 HydrophobicContact CD1-CG2 3.49Å; I121-V134 VanDerWaalsContact CD1-CG2 3.49Å; I127-V134 HydrophobicContact CD1-CG1 4.19Å; M128-V134 WeakPolarHBondContact O-CA 3.32Å; R129-V134 HydrophobicContact CG-CG1 4.16Å |
| 135 | Y | 94.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 141 | -177.2 | -56.9 | -100.1 | 0 | 0 | 0 | 110.7 | A116 I127 M128 Q133 F140 L157 L162 | A116-Y135 HydrophobicContact CB-CD1 3.75Å; A116-Y135 HydrophobicContact CB-CE1 4.02Å; I127-Y135 CarbonylContact C-O 3.57Å; I127-Y135 VanDerWaalsContact CA-O 3.23Å; I127-Y135 WeakPolarHBondContact CA-O 3.36Å; I127-Y135 VanDerWaalsContact CB-O 3.32Å; I127-Y135 WeakPolarHBondContact CB-O 3.42Å; M128-Y135 PolarHBondContact N-O 3.47Å; M128-Y135 PolarHBondContact O-N 3.02Å; Q133-Y135 HydrophobicContact CB-CE2 3.62Å; Y135-F140 HydrophobicContact CD1-CD2 4.41Å; Y135-F140 AromaticContact CD2-CD2 3.78Å; Y135-F140 HydrophobicContact CD2-CD2 3.78Å; Y135-F140 HydrophobicContact CD2-CE2 4.13Å; Y135-F140 HydrophobicContact CE2-CD2 4.42Å; Y135-F140 HydrophobicContact CE2-CE2 4.44Å; Y135-F140 AromaticContact CG-CD2 3.79Å; Y135-F140 HydrophobicContact CG-CD2 3.79Å; Y135-L157 WeakPolarHBondContact OH-CD1 3.32Å; Y135-L162 HydrophobicContact CD1-CD1 4.16Å; Y135-L162 HydrophobicContact CE1-CD1 3.95Å |
| 136 | H | 95.3 | Very high | 93.2 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 149.8 | 165.1 | -52.3 | 114.8 | 0 | 0 | 0 | 109.9 | C114 C117 I121 E125 G138 C139 F140 | C114-H136 WeakPolarHBondContact CB-CE1 3.36Å; C114-H136 WeakPolarHBondContact CB-ND1 3.27Å; C117-H136 PolarHBondContact SG-CE1 3.33Å; C117-H136 PolarHBondContact SG-ND1 2.94Å; I121-H136 WeakPolarHBondContact CG1-NE2 3.42Å; E125-H136 IonicContact OE2-CD2 3.41Å; E125-H136 PolarHBondContact OE2-CD2 3.43Å; E125-H136 IonicContact OE2-NE2 3.83Å; H136-G138 PolarHBondContact O-N 3.11Å; H136-C139 HydrophobicContact CB-CB 4.3Å; H136-C139 PolarHBondContact O-N 2.89Å; H136-F140 PolarHBondContact O-N 3.25Å; H136-F140 VanDerWaalsContact O-N 3.09Å |
| 137 | L | 93.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -26.4 | 175.1 | -64.5 | -174.9 | 0 | 0 | 0 | 113.9 | L126 M128 R148 | L126-L137 HydrophobicContact CB-CD1 3.6Å; L126-L137 HydrophobicContact CB-CD2 4.47Å; L126-L137 HydrophobicContact CB-CG 3.94Å; L126-L137 HydrophobicContact CD1-CD1 4.13Å; M128-L137 HydrophobicContact CG-CD2 3.84Å; M128-L137 HydrophobicContact SD-CD2 3.94Å; L137-R148 VanDerWaalsContact C-NH2 3.31Å; L137-R148 PolarHBondContact O-NE 2.98Å; L137-R148 PolarHBondContact O-NH2 2.89Å |
| 138 | G | 92.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 64.3 Ų | 64.3 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -25.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H136 | H136-G138 PolarHBondContact O-N 3.11Š|
| 139 | C | 94.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 63 Ų | 63 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -1.2 | -177.2 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | A116 H136 S141 | A116-C139 HydrophobicContact CB-CB 3.89Å; H136-C139 HydrophobicContact CB-CB 4.3Å; H136-C139 PolarHBondContact O-N 2.89Å; C139-S141 VanDerWaalsContact C-N 3.35Å; C139-S141 PolarHBondContact O-N 3.49Å |
| 140 | F | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | trans | -88.8 | 76.1 | 174 | -165.3 | -105 | 0 | 0 | 0 | 109.2 | M128 V130 Y135 H136 L149 F155 L162 | M128-F140 HydrophobicContact CB-CB 3.96Å; M128-F140 HydrophobicContact CB-CD1 3.93Å; M128-F140 HydrophobicContact CB-CD2 3.63Å; M128-F140 HydrophobicContact CB-CE1 4.36Å; M128-F140 HydrophobicContact CB-CE2 4.1Å; M128-F140 HydrophobicContact CB-CG 3.55Å; M128-F140 HydrophobicContact CB-CZ 4.46Å; M128-F140 HydrophobicContact CE-CD1 3.66Å; M128-F140 HydrophobicContact CE-CE1 3.52Å; M128-F140 HydrophobicContact CE-CG 4.5Å; M128-F140 HydrophobicContact CE-CZ 4.27Å; M128-F140 HydrophobicContact CG-CB 3.72Å; M128-F140 HydrophobicContact CG-CD1 3.58Å; M128-F140 HydrophobicContact CG-CD2 4.17Å; M128-F140 HydrophobicContact CG-CE1 4.25Å; M128-F140 HydrophobicContact CG-CG 3.54Å; M128-F140 HydrophobicContact SD-CD1 4.47Å; V130-F140 HydrophobicContact CB-CE2 4.49Å; V130-F140 HydrophobicContact CG2-CE2 3.51Å; V130-F140 HydrophobicContact CG2-CZ 3.61Å; Y135-F140 HydrophobicContact CD1-CD2 4.41Å; Y135-F140 AromaticContact CD2-CD2 3.78Å; Y135-F140 HydrophobicContact CD2-CD2 3.78Å; Y135-F140 HydrophobicContact CD2-CE2 4.13Å; Y135-F140 HydrophobicContact CE2-CD2 4.42Å; Y135-F140 HydrophobicContact CE2-CE2 4.44Å; Y135-F140 AromaticContact CG-CD2 3.79Å; Y135-F140 HydrophobicContact CG-CD2 3.79Å; H136-F140 PolarHBondContact O-N 3.25Å; H136-F140 VanDerWaalsContact O-N 3.09Å; F140-L149 HydrophobicContact CD1-CB 3.63Å; F140-L149 WeakPolarHBondContact CD1-O 3.4Å; F140-L149 HydrophobicContact CE1-CB 3.54Å; F140-L149 HydrophobicContact CE1-CD1 4.15Å; F140-L149 HydrophobicContact CE1-CG 4.5Å; F140-L149 HydrophobicContact CZ-CD1 4.48Å; F140-L149 PolarHBondContact O-N 2.97Å; F140-F155 HydrophobicContact CE1-CE1 4.39Å; F140-F155 HydrophobicContact CZ-CD1 4.33Å; F140-F155 HydrophobicContact CZ-CD2 4.34Å; F140-F155 AromaticContact CZ-CE1 3.94Å; F140-F155 HydrophobicContact CZ-CE1 3.94Å; F140-F155 AromaticContact CZ-CE2 3.96Å; F140-F155 HydrophobicContact CZ-CE2 3.96Å; F140-F155 AromaticContact CZ-CZ 3.77Å; F140-F155 HydrophobicContact CZ-CZ 3.77Å; F140-L162 HydrophobicContact CD2-CD1 3.39Å; F140-L162 HydrophobicContact CD2-CD2 4.31Å; F140-L162 HydrophobicContact CE2-CD1 3.57Å; F140-L162 HydrophobicContact CE2-CD2 3.58Å; F140-L162 HydrophobicContact CE2-CG 4.25Å; F140-L162 HydrophobicContact CG-CD1 4.11Å; F140-L162 HydrophobicContact CZ-CD1 4.4Å; F140-L162 HydrophobicContact CZ-CD2 4Å | ||
| 141 | S | 96.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 71.3 Ų | 71.3 | 24% | 0.238 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -136 | 155.3 | -174.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | C139 E146 R147 L162 | C139-S141 VanDerWaalsContact C-N 3.35Å; C139-S141 PolarHBondContact O-N 3.49Å; S141-E146 WeakPolarHBondContact CB-O 3.37Å; S141-R147 CarbonylContact C-O 3.22Å; S141-R147 WeakPolarHBondContact CA-O 3.38Å; S141-R147 WeakPolarHBondContact CB-O 3.37Å; S141-L162 WeakPolarHBondContact O-CB 3.47Å |
| 142 | C | 95.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | trans | -61.8 | 135.7 | 173.4 | -176 | 0 | 0 | 0 | 0 | 110.8 | E144 C145 E146 R147 L162 C164 D167 | C142-E144 VanDerWaalsContact C-N 3.3Å; C142-E144 PolarHBondContact O-N 3Å; C142-C145 VanDerWaalsContact CB-SG 3.55Å; C142-E146 WeakPolarHBondContact O-CA 3.31Å; C142-E146 PolarHBondContact O-N 3.19Å; C142-R147 PolarHBondContact N-O 3.4Å; C142-L162 CarbonylContact C-O 3.58Å; C142-L162 WeakPolarHBondContact CA-O 3.48Å; C142-C164 HydrophobicContact CB-CB 4.17Å; C142-C164 PolarHBondContact SG-N 2.99Å; C142-D167 PolarHBondContact SG-OD2 3.16Å | ||
| 143 | C | 93.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -15.5 | 179 | 65.3 | 0 | 0 | 0 | 0 | 114.7 | L162 L163 | C143-L162 PolarHBondContact N-O 3.19Å; C143-L162 PolarHBondContact SG-O 3.38Å; C143-L163 VanDerWaalsContact SG-CD2 3.55Å |
| 144 | E | 93.6 | Very high | 94.1 | Very high | 109 Ų | 109 | 70 Ų | 70 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -48.7 | -179.4 | -59.8 | -58.7 | 131.8 | 0 | 0 | 112.5 | C142 L163 D167 | C142-E144 VanDerWaalsContact C-N 3.3Å; C142-E144 PolarHBondContact O-N 3Å; E144-L163 HydrophobicContact CG-CD2 3.58Å; E144-D167 HydrophobicContact CB-CB 4.15Å; E144-D167 HydrophobicContact CG-CB 4.47Å |
| 145 | C | 94.3 | Very high | 94.3 | Very high | 46 Ų | 46 | 73 Ų | 73 | 31% | 0.311 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -0.7 | -179.5 | 74.6 | 0 | 0 | 0 | 0 | 115.1 | C142 R147 D167 | C142-C145 VanDerWaalsContact CB-SG 3.55Å; C145-R147 PolarHBondContact O-N 3.05Å; C145-R147 VanDerWaalsContact SG-CB 3.52Å; C145-D167 VanDerWaalsContact CB-OD2 3.32Å; C145-D167 WeakPolarHBondContact CB-OD2 3.36Å; C145-D167 PolarHBondContact SG-OD2 3.26Å |
| 146 | E | 93.3 | Very high | 94.3 | Very high | 134 Ų | 134 | 75 Ų | 75 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | trans | 59.1 | 1 | -179.8 | -60.2 | 178.7 | -161.1 | 0 | 0 | 115.5 | S141 C142 R148 | S141-E146 WeakPolarHBondContact CB-O 3.37Å; C142-E146 WeakPolarHBondContact O-CA 3.31Å; C142-E146 PolarHBondContact O-N 3.19Å; E146-R148 PolarHBondContact O-N 3.24Å | ||
| 147 | R | 94.7 | Very high | 94.2 | Very high | 127 Ų | 127 | 75.6 Ų | 75.6 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 127.2 | 176.1 | -165.4 | -170.8 | -50.6 | 110.6 | 12.6 | 110.4 | S141 C142 C145 C164 | S141-R147 CarbonylContact C-O 3.22Å; S141-R147 WeakPolarHBondContact CA-O 3.38Å; S141-R147 WeakPolarHBondContact CB-O 3.37Å; C142-R147 PolarHBondContact N-O 3.4Å; C145-R147 PolarHBondContact O-N 3.05Å; C145-R147 VanDerWaalsContact SG-CB 3.52Å; R147-C164 PolarHBondContact NH1-SG 3.32Å |
| 148 | R | 95 | Very high | 94 | Very high | 138 Ų | 138 | 75.5 Ų | 75.5 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 129.9 | 171.8 | -65.9 | 175.3 | 65.4 | -178.3 | -3 | 109.3 | L137 E146 | L137-R148 VanDerWaalsContact C-NH2 3.31Å; L137-R148 PolarHBondContact O-NE 2.98Å; L137-R148 PolarHBondContact O-NH2 2.89Å; E146-R148 PolarHBondContact O-N 3.24Å |
| 149 | L | 94.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 81.9 Ų | 81.9 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 132.4 | -179.8 | -61.7 | 166.3 | 0 | 0 | 0 | 109 | F140 D153 F155 L162 C164 | F140-L149 HydrophobicContact CD1-CB 3.63Å; F140-L149 WeakPolarHBondContact CD1-O 3.4Å; F140-L149 HydrophobicContact CE1-CB 3.54Å; F140-L149 HydrophobicContact CE1-CD1 4.15Å; F140-L149 HydrophobicContact CE1-CG 4.5Å; F140-L149 HydrophobicContact CZ-CD1 4.48Å; F140-L149 PolarHBondContact O-N 2.97Å; L149-D153 WeakPolarHBondContact CA-OD2 3.28Å; L149-D153 HydrophobicContact CD2-CB 4.29Å; L149-F155 HydrophobicContact CD1-CB 3.67Å; L149-F155 HydrophobicContact CD1-CD2 4.44Å; L149-F155 HydrophobicContact CD1-CG 3.98Å; L149-F155 HydrophobicContact CD2-CB 4.16Å; L149-F155 HydrophobicContact CG-CB 4.5Å; L149-L162 HydrophobicContact CD1-CB 4.22Å; L149-C164 HydrophobicContact CD2-CB 3.74Å |
| 150 | Q | 92.9 | Very high | 93.3 | Very high | 137 Ų | 137 | 82.5 Ų | 82.5 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | trans | -110.5 | 178 | -177.7 | -59.7 | -161.4 | 1.9 | 0 | 0 | 112.2 | G152 D153 | Q150-G152 PolarHBondContact O-N 3.33Å; Q150-D153 PolarHBondContact N-OD2 3.31Å; Q150-D153 PolarHBondContact O-N 3.44Å | ||
| 151 | R | 91.8 | Very high | 93 | Very high | 228 Ų | 228 | 86 Ų | 86 | 86% | 0.86 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 125.3 | 172.6 | -65.1 | -179.1 | -175.2 | 161.5 | 0.5 | 108.6 | ||
| 152 | G | 91.8 | Very high | 92.9 | Very high | 82 Ų | 82 | 84.7 Ų | 84.7 | 85% | 0.845 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | -15.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q150 | Q150-G152 PolarHBondContact O-N 3.33Š|
| 153 | D | 94.3 | Very high | 92.9 | Very high | 68 Ų | 68 | 84.9 Ų | 84.9 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -73.1 | 134 | 174.8 | -74.8 | -17.5 | 0 | 0 | 0 | 111.4 | L149 Q150 | L149-D153 WeakPolarHBondContact CA-OD2 3.28Å; L149-D153 HydrophobicContact CD2-CB 4.29Å; Q150-D153 PolarHBondContact N-OD2 3.31Å; Q150-D153 PolarHBondContact O-N 3.44Å | ||
| 154 | E | 95.2 | Very high | 93 | Very high | 117 Ų | 117 | 82.5 Ų | 82.5 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | trans | -79.7 | 128.9 | 169.3 | -70.8 | 178 | -150.5 | 0 | 0 | 111.4 | R165 | E154-R165 HydrophobicContact CB-CB 3.94Å; E154-R165 HydrophobicContact CB-CG 4.43Å; E154-R165 VanDerWaalsContact CD-NH1 3.28Å; E154-R165 PolarHBondContact O-N 2.9Å; E154-R165 IonicContact OE1-NH1 3.11Å; E154-R165 PolarHBondContact OE1-NH1 3.07Å; E154-R165 VanDerWaalsContact OE1-NH1 3.11Å; E154-R165 WeakPolarHBondContact OE2-CD 3.36Å; E154-R165 IonicContact OE2-CZ 2.67Å; E154-R165 IonicContact OE2-NE 3.98Å; E154-R165 IonicContact OE2-NH1 2.74Å; E154-R165 PolarHBondContact OE2-NH1 3.02Å | ||
| 155 | F | 95.7 | Very high | 93.1 | Very high | 67 Ų | 67 | 83 Ų | 83 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.9 | -179.3 | 73.7 | -87.2 | 0 | 0 | 0 | 111.5 | V130 F140 L149 L162 L163 | V130-F155 HydrophobicContact CB-CZ 4.43Å; V130-F155 HydrophobicContact CG1-CE2 3.84Å; V130-F155 HydrophobicContact CG1-CZ 3.89Å; V130-F155 HydrophobicContact CG2-CE2 4.06Å; V130-F155 HydrophobicContact CG2-CZ 3.61Å; F140-F155 HydrophobicContact CE1-CE1 4.39Å; F140-F155 HydrophobicContact CZ-CD1 4.33Å; F140-F155 HydrophobicContact CZ-CD2 4.34Å; F140-F155 AromaticContact CZ-CE1 3.94Å; F140-F155 HydrophobicContact CZ-CE1 3.94Å; F140-F155 AromaticContact CZ-CE2 3.96Å; F140-F155 HydrophobicContact CZ-CE2 3.96Å; F140-F155 AromaticContact CZ-CZ 3.77Å; F140-F155 HydrophobicContact CZ-CZ 3.77Å; L149-F155 HydrophobicContact CD1-CB 3.67Å; L149-F155 HydrophobicContact CD1-CD2 4.44Å; L149-F155 HydrophobicContact CD1-CG 3.98Å; L149-F155 HydrophobicContact CD2-CB 4.16Å; L149-F155 HydrophobicContact CG-CB 4.5Å; F155-L162 HydrophobicContact CD2-CD2 3.72Å; F155-L162 HydrophobicContact CE2-CD2 3.83Å; F155-L163 CarbonylContact C-O 3.48Å; F155-L163 WeakPolarHBondContact CA-O 3.31Å; F155-L163 VanDerWaalsContact CB-O 3.29Å; F155-L163 WeakPolarHBondContact CB-O 3.39Å |
| 156 | V | 94.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 85.4 Ų | 85.4 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 136.4 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | L163 Y168 | V156-L163 PolarHBondContact N-O 2.6Å; V156-L163 PolarHBondContact O-N 3.43Å; V156-Y168 HydrophobicContact CB-CD2 3.89Å; V156-Y168 HydrophobicContact CB-CE2 4.24Å; V156-Y168 HydrophobicContact CB-CG 4.09Å; V156-Y168 HydrophobicContact CG1-CD2 3.96Å; V156-Y168 HydrophobicContact CG1-CE2 3.85Å; V156-Y168 HydrophobicContact CG2-CD1 3.72Å; V156-Y168 HydrophobicContact CG2-CD2 3.88Å; V156-Y168 HydrophobicContact CG2-CE1 3.99Å; V156-Y168 HydrophobicContact CG2-CE2 4.14Å; V156-Y168 HydrophobicContact CG2-CG 3.66Å |
| 157 | L | 94.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 105.1 | 170.7 | -175.1 | 70.1 | 0 | 0 | 0 | 109.5 | V130 L131 Y135 Q161 L162 | V130-L157 HydrophobicContact CG1-CD2 4.11Å; L131-L157 HydrophobicContact CB-CD2 4.36Å; L131-L157 HydrophobicContact CD1-CD2 4.19Å; Y135-L157 WeakPolarHBondContact OH-CD1 3.32Å; L157-Q161 CarbonylContact C-O 3.55Å; L157-Q161 WeakPolarHBondContact CA-O 3.14Å; L157-L162 HydrophobicContact CB-CD2 4.44Å; L157-L162 HydrophobicContact CD1-CD2 3.66Å; L157-L162 HydrophobicContact CD1-CG 3.96Å |
| 158 | K | 88.9 | Confident | 93.2 | Very high | 67 Ų | 67 | 77.7 Ų | 77.7 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 116.2 | -175.9 | -177.6 | -173.5 | -177.1 | -176.5 | 0 | 109.5 | G160 Q161 L163 E171 | K158-G160 PolarHBondContact O-N 3.37Å; K158-Q161 PolarHBondContact N-O 2.86Å; K158-Q161 WeakPolarHBondContact O-CA 3.49Å; K158-Q161 VanDerWaalsContact O-CB 3.31Å; K158-Q161 WeakPolarHBondContact O-CB 3.48Å; K158-Q161 PolarHBondContact O-N 3.03Å; K158-L163 HydrophobicContact CD-CD1 4.22Å; K158-E171 IonicContact NZ-OE1 3.85Å; K158-E171 PolarHBondContact NZ-OE1 3Å; K158-E171 IonicContact NZ-OE2 3.28Å; K158-E171 PolarHBondContact NZ-OE2 2.96Å |
| 159 | E | 86.8 | Confident | 93.1 | Very high | 177 Ų | 177 | 74 Ų | 74 | 83% | 0.827 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 29.8 | -179.4 | -58.2 | 179.2 | 177.4 | 0 | 0 | 113.8 | Q161 | E159-Q161 VanDerWaalsContact C-N 3.33Š|
| 160 | G | 84.9 | Confident | 93 | Very high | 49 Ų | 49 | 78.6 Ų | 78.6 | 51% | 0.505 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -3.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | K158 | K158-G160 PolarHBondContact O-N 3.37Š|
| 161 | Q | 91.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 75 Ų | 75 | 34% | 0.336 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.9 | 174.9 | -48.8 | -166.8 | -59.3 | 0 | 0 | 110.5 | L157 K158 E159 | L157-Q161 CarbonylContact C-O 3.55Å; L157-Q161 WeakPolarHBondContact CA-O 3.14Å; K158-Q161 PolarHBondContact N-O 2.86Å; K158-Q161 WeakPolarHBondContact O-CA 3.49Å; K158-Q161 VanDerWaalsContact O-CB 3.31Å; K158-Q161 WeakPolarHBondContact O-CB 3.48Å; K158-Q161 PolarHBondContact O-N 3.03Å; E159-Q161 VanDerWaalsContact C-N 3.33Å |
| 162 | L | 94.5 | Very high | 92.7 | Very high | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.6 | 175.6 | -69.8 | 164.4 | 0 | 0 | 0 | 109.3 | Y135 F140 S141 C142 C143 L149 F155 L157 | Y135-L162 HydrophobicContact CD1-CD1 4.16Å; Y135-L162 HydrophobicContact CE1-CD1 3.95Å; F140-L162 HydrophobicContact CD2-CD1 3.39Å; F140-L162 HydrophobicContact CD2-CD2 4.31Å; F140-L162 HydrophobicContact CE2-CD1 3.57Å; F140-L162 HydrophobicContact CE2-CD2 3.58Å; F140-L162 HydrophobicContact CE2-CG 4.25Å; F140-L162 HydrophobicContact CG-CD1 4.11Å; F140-L162 HydrophobicContact CZ-CD1 4.4Å; F140-L162 HydrophobicContact CZ-CD2 4Å; S141-L162 WeakPolarHBondContact O-CB 3.47Å; C142-L162 CarbonylContact C-O 3.58Å; C142-L162 WeakPolarHBondContact CA-O 3.48Å; C143-L162 PolarHBondContact N-O 3.19Å; C143-L162 PolarHBondContact SG-O 3.38Å; L149-L162 HydrophobicContact CD1-CB 4.22Å; F155-L162 HydrophobicContact CD2-CD2 3.72Å; F155-L162 HydrophobicContact CE2-CD2 3.83Å; L157-L162 HydrophobicContact CB-CD2 4.44Å; L157-L162 HydrophobicContact CD1-CD2 3.66Å; L157-L162 HydrophobicContact CD1-CG 3.96Å |
| 163 | L | 95.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.9 | 174.6 | -69.8 | 168 | 0 | 0 | 0 | 109 | C143 E144 F155 V156 K158 Y168 | C143-L163 VanDerWaalsContact SG-CD2 3.55Å; E144-L163 HydrophobicContact CG-CD2 3.58Å; F155-L163 CarbonylContact C-O 3.48Å; F155-L163 WeakPolarHBondContact CA-O 3.31Å; F155-L163 VanDerWaalsContact CB-O 3.29Å; F155-L163 WeakPolarHBondContact CB-O 3.39Å; V156-L163 PolarHBondContact N-O 2.6Å; V156-L163 PolarHBondContact O-N 3.43Å; K158-L163 HydrophobicContact CD-CD1 4.22Å; L163-Y168 HydrophobicContact CD1-CD2 4.08Å |
| 164 | C | 96.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 76.7 Ų | 76.7 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 154.4 | 168.4 | 83.3 | 0 | 0 | 0 | 0 | 110 | C142 R147 L149 M166 D167 Y168 | C142-C164 HydrophobicContact CB-CB 4.17Å; C142-C164 PolarHBondContact SG-N 2.99Å; R147-C164 PolarHBondContact NH1-SG 3.32Å; L149-C164 HydrophobicContact CD2-CB 3.74Å; C164-M166 VanDerWaalsContact C-N 3.27Å; C164-M166 PolarHBondContact O-N 2.74Å; C164-M166 VanDerWaalsContact O-N 3.16Å; C164-D167 PolarHBondContact O-N 2.68Å; C164-D167 VanDerWaalsContact SG-CG 3.57Å; C164-D167 PolarHBondContact SG-OD2 3.49Å; C164-Y168 PolarHBondContact O-N 3.06Å |
| 165 | R | 94.9 | Very high | 91.6 | Very high | 120 Ų | 120 | 75.1 Ų | 75.1 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -42.7 | -52 | 178.2 | -175.1 | -163.1 | 178.6 | 146.9 | -13.5 | 113.2 | E154 D167 Y168 E169 | E154-R165 HydrophobicContact CB-CB 3.94Å; E154-R165 HydrophobicContact CB-CG 4.43Å; E154-R165 VanDerWaalsContact CD-NH1 3.28Å; E154-R165 PolarHBondContact O-N 2.9Å; E154-R165 IonicContact OE1-NH1 3.11Å; E154-R165 PolarHBondContact OE1-NH1 3.07Å; E154-R165 VanDerWaalsContact OE1-NH1 3.11Å; E154-R165 WeakPolarHBondContact OE2-CD 3.36Å; E154-R165 IonicContact OE2-CZ 2.67Å; E154-R165 IonicContact OE2-NE 3.98Å; E154-R165 IonicContact OE2-NH1 2.74Å; E154-R165 PolarHBondContact OE2-NH1 3.02Å; R165-D167 PolarHBondContact O-N 3.21Å; R165-Y168 PolarHBondContact O-N 3.19Å; R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 IonicContact CZ-OE1 3.58Å; R165-E169 IonicContact NE-OE1 3.51Å; R165-E169 PolarHBondContact NE-OE1 2.84Å; R165-E169 IonicContact NE-OE2 3.64Å; R165-E169 IonicContact NH2-OE1 2.65Å; R165-E169 WeakPolarHBondContact O-CB 3.33Å; R165-E169 WeakPolarHBondContact O-CG 3.35Å; R165-E169 PolarHBondContact O-N 3.47Å |
| 166 | M | 95 | Very high | 91.1 | Very high | 97 Ų | 97 | 75 Ų | 75 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.6 | -41.9 | -178.2 | -179.7 | 63.8 | 56.1 | 0 | 0 | 113.6 | C164 K170 | C164-M166 VanDerWaalsContact C-N 3.27Å; C164-M166 PolarHBondContact O-N 2.74Å; C164-M166 VanDerWaalsContact O-N 3.16Å; M166-K170 WeakPolarHBondContact O-CD 3.44Å; M166-K170 VanDerWaalsContact O-CG 3.24Å; M166-K170 WeakPolarHBondContact O-CG 3.46Å; M166-K170 PolarHBondContact O-N 3.4Å |
| 167 | D | 94.6 | Very high | 90.4 | Very high | 22 Ų | 22 | 77.1 Ų | 77.1 | 12% | 0.118 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -82.5 | -29.8 | -178.9 | -57.3 | -39.1 | 0 | 0 | 0 | 111.6 | C142 E144 C145 C164 R165 E171 | C142-D167 PolarHBondContact SG-OD2 3.16Å; E144-D167 HydrophobicContact CB-CB 4.15Å; E144-D167 HydrophobicContact CG-CB 4.47Å; C145-D167 VanDerWaalsContact CB-OD2 3.32Å; C145-D167 WeakPolarHBondContact CB-OD2 3.36Å; C145-D167 PolarHBondContact SG-OD2 3.26Å; C164-D167 PolarHBondContact O-N 2.68Å; C164-D167 VanDerWaalsContact SG-CG 3.57Å; C164-D167 PolarHBondContact SG-OD2 3.49Å; R165-D167 PolarHBondContact O-N 3.21Å; D167-E171 WeakPolarHBondContact O-CB 3.37Å; D167-E171 PolarHBondContact O-N 2.9Å |
| 168 | Y | 94.4 | Very high | 89.2 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 171.6 | 176.9 | -101.9 | 0 | 0 | 0 | 112.1 | V156 L163 C164 R165 E171 R172 | V156-Y168 HydrophobicContact CB-CD2 3.89Å; V156-Y168 HydrophobicContact CB-CE2 4.24Å; V156-Y168 HydrophobicContact CB-CG 4.09Å; V156-Y168 HydrophobicContact CG1-CD2 3.96Å; V156-Y168 HydrophobicContact CG1-CE2 3.85Å; V156-Y168 HydrophobicContact CG2-CD1 3.72Å; V156-Y168 HydrophobicContact CG2-CD2 3.88Å; V156-Y168 HydrophobicContact CG2-CE1 3.99Å; V156-Y168 HydrophobicContact CG2-CE2 4.14Å; V156-Y168 HydrophobicContact CG2-CG 3.66Å; L163-Y168 HydrophobicContact CD1-CD2 4.08Å; C164-Y168 PolarHBondContact O-N 3.06Å; R165-Y168 PolarHBondContact O-N 3.19Å; Y168-E171 PolarHBondContact O-N 3.09Å; Y168-R172 WeakPolarHBondContact O-CB 3.3Å; Y168-R172 PolarHBondContact O-N 2.89Å |
| 169 | E | 93.6 | Very high | 87.5 | Confident | 60 Ų | 60 | 81.9 Ų | 81.9 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.3 | -75.3 | 172.6 | 167.7 | 0 | 0 | 111 | R165 R172 E173 | R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 IonicContact CZ-OE1 3.58Å; R165-E169 IonicContact NE-OE1 3.51Å; R165-E169 PolarHBondContact NE-OE1 2.84Å; R165-E169 IonicContact NE-OE2 3.64Å; R165-E169 IonicContact NH2-OE1 2.65Å; R165-E169 WeakPolarHBondContact O-CB 3.33Å; R165-E169 WeakPolarHBondContact O-CG 3.35Å; R165-E169 PolarHBondContact O-N 3.47Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 2.82Å; E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.3Å |
| 170 | K | 91.6 | Very high | 85.8 | Confident | 105 Ų | 105 | 79 Ų | 79 | 46% | 0.457 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 173.5 | -72.4 | 169.6 | -172.9 | 173.1 | 0 | 113.2 | M166 R172 E173 M174 | M166-K170 WeakPolarHBondContact O-CD 3.44Å; M166-K170 VanDerWaalsContact O-CG 3.24Å; M166-K170 WeakPolarHBondContact O-CG 3.46Å; M166-K170 PolarHBondContact O-N 3.4Å; K170-R172 VanDerWaalsContact C-N 3.28Å; K170-R172 PolarHBondContact O-N 3.49Å; K170-E173 PolarHBondContact O-N 3.06Å; K170-M174 VanDerWaalsContact O-CB 3.3Å; K170-M174 WeakPolarHBondContact O-CB 3.34Å; K170-M174 WeakPolarHBondContact O-CG 3.31Å; K170-M174 PolarHBondContact O-N 3.01Å |
| 171 | E | 89.1 | Confident | 84 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 29% | 0.285 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.4 | -163.9 | -156.3 | -176.5 | 0 | 0 | 110.3 | K158 D167 Y168 L175 | K158-E171 IonicContact NZ-OE1 3.85Å; K158-E171 PolarHBondContact NZ-OE1 3Å; K158-E171 IonicContact NZ-OE2 3.28Å; K158-E171 PolarHBondContact NZ-OE2 2.96Å; D167-E171 WeakPolarHBondContact O-CB 3.37Å; D167-E171 PolarHBondContact O-N 2.9Å; Y168-E171 PolarHBondContact O-N 3.09Å; E171-L175 HydrophobicContact CG-CD1 4.03Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.29Å; E171-L175 WeakPolarHBondContact O-CD1 3.44Å; E171-L175 WeakPolarHBondContact O-CG 3.47Å; E171-L175 PolarHBondContact O-N 3.5Å |
| 172 | R | 89.4 | Confident | 81.8 | Confident | 143 Ų | 143 | 82.8 Ų | 82.8 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 178.1 | -174.3 | -174.2 | 67.1 | -173.1 | -3.1 | 112.2 | Y168 E169 K170 L175 A176 | Y168-R172 WeakPolarHBondContact O-CB 3.3Å; Y168-R172 PolarHBondContact O-N 2.89Å; E169-R172 WeakPolarHBondContact O-CB 3.39Å; E169-R172 PolarHBondContact O-N 2.82Å; K170-R172 VanDerWaalsContact C-N 3.28Å; K170-R172 PolarHBondContact O-N 3.49Å; R172-L175 PolarHBondContact O-N 3.4Å; R172-A176 WeakPolarHBondContact O-CB 3.28Å; R172-A176 PolarHBondContact O-N 3.03Å |
| 173 | E | 89.9 | Confident | 79.5 | Confident | 140 Ų | 140 | 87.8 Ų | 87.8 | 65% | 0.654 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 177.9 | -176 | 173.9 | -157.3 | 0 | 0 | 111.6 | E169 K170 L175 A176 A177 | E169-E173 WeakPolarHBondContact O-CB 3.38Å; E169-E173 PolarHBondContact O-N 3.3Å; K170-E173 PolarHBondContact O-N 3.06Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.43Å; E173-A176 WeakPolarHBondContact O-CB 3.34Å; E173-A176 PolarHBondContact O-N 2.94Å; E173-A176 VanDerWaalsContact O-N 3.1Å; E173-A177 PolarHBondContact O-N 3.28Å |
| 174 | M | 85.3 | Confident | 77.1 | Confident | 132 Ų | 132 | 96.7 Ų | 96.7 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.8 | -41.6 | 173.5 | -71 | -89.8 | -76.7 | 0 | 0 | 111.8 | K170 I178 | K170-M174 VanDerWaalsContact O-CB 3.3Å; K170-M174 WeakPolarHBondContact O-CB 3.34Å; K170-M174 WeakPolarHBondContact O-CG 3.31Å; K170-M174 PolarHBondContact O-N 3.01Å; M174-I178 VanDerWaalsContact O-CD1 3.26Å; M174-I178 WeakPolarHBondContact O-CD1 3.5Å; M174-I178 VanDerWaalsContact O-CG1 3.24Å; M174-I178 WeakPolarHBondContact O-CG1 3.31Å; M174-I178 PolarHBondContact O-N 3.35Å |
| 175 | L | 83.6 | Confident | 74.6 | Confident | 84 Ų | 84 | 100.8 Ų | 100.8 | 44% | 0.44 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.1 | -31.6 | 176.4 | -73.9 | 169.3 | 0 | 0 | 0 | 113 | E171 R172 E173 | E171-L175 HydrophobicContact CG-CD1 4.03Å; E171-L175 VanDerWaalsContact O-CB 3.31Å; E171-L175 WeakPolarHBondContact O-CB 3.29Å; E171-L175 WeakPolarHBondContact O-CD1 3.44Å; E171-L175 WeakPolarHBondContact O-CG 3.47Å; E171-L175 PolarHBondContact O-N 3.5Å; R172-L175 PolarHBondContact O-N 3.4Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.43Å |
| 176 | A | 85.3 | Confident | 72.3 | Confident | 65 Ų | 65 | 101.9 Ų | 101.9 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.4 | -44.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R172 E173 I178 S179 | R172-A176 WeakPolarHBondContact O-CB 3.28Å; R172-A176 PolarHBondContact O-N 3.03Å; E173-A176 WeakPolarHBondContact O-CB 3.34Å; E173-A176 PolarHBondContact O-N 2.94Å; E173-A176 VanDerWaalsContact O-N 3.1Å; A176-I178 PolarHBondContact O-N 3.33Å; A176-S179 WeakPolarHBondContact O-CB 3.33Å; A176-S179 PolarHBondContact O-N 2.65Å |
| 177 | A | 78.8 | Confident | 69.7 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63 | -21.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E173 | E173-A177 PolarHBondContact O-N 3.28Å |
| 178 | I | 70.9 | Confident | 67 | Low | 128 Ų | 128 | 110.1 Ų | 110.1 | 66% | 0.656 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -10.6 | 177 | -64.6 | 164.3 | 0 | 0 | 0 | 111.9 | M174 A176 P180 | M174-I178 VanDerWaalsContact O-CD1 3.26Å; M174-I178 WeakPolarHBondContact O-CD1 3.5Å; M174-I178 VanDerWaalsContact O-CG1 3.24Å; M174-I178 WeakPolarHBondContact O-CG1 3.31Å; M174-I178 PolarHBondContact O-N 3.35Å; A176-I178 PolarHBondContact O-N 3.33Å; I178-P180 WeakPolarHBondContact O-CD 3.32Å |
| 179 | S | 52.7 | Low | 64.4 | Low | 84 Ų | 84 | 115.3 Ų | 115.3 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -86.5 | 112.8 | 171.7 | -169 | 0 | 0 | 0 | 0 | 109.5 | A176 A181 | A176-S179 WeakPolarHBondContact O-CB 3.33Å; A176-S179 PolarHBondContact O-N 2.65Å; S179-A181 PolarHBondContact O-N 3.48Å; S179-A181 VanDerWaalsContact O-N 3.09Å |
| 180 | P | 50.2 | Low | 61.8 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -64.3 | 117.3 | 170.3 | 27.4 | -32.1 | 0 | 0 | 0 | 108.1 | I178 | I178-P180 WeakPolarHBondContact O-CD 3.32Š| ||
| 181 | A | 48.4 | Very low | 59.7 | Low | 85 Ų | 85 | 124.5 Ų | 124.5 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | trans | -60.2 | 135.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | S179 T183 | S179-A181 PolarHBondContact O-N 3.48Å; S179-A181 VanDerWaalsContact O-N 3.09Å; A181-T183 PolarHBondContact O-N 3.17Å | ||
| 182 | P | 44.7 | Very low | 57.2 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -64.7 | 112.8 | 172.6 | 27.4 | -31.9 | 0 | 0 | 0 | 108.4 | E184 | P182-E184 PolarHBondContact O-N 3.32Š| ||
| 183 | T | 46.2 | Very low | 54.6 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | -3.2 | 101 | 164.5 | 56.1 | 0 | 0 | 0 | 0 | 116.9 | A181 S185 | A181-T183 PolarHBondContact O-N 3.17Å; T183-S185 WeakPolarHBondContact CB-OG 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å | ||
| 184 | E | 43.6 | Very low | 51.9 | Low | 193 Ų | 193 | 123.2 Ų | 123.2 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | trans | -70.4 | 86.8 | 148.2 | -75 | -63.8 | 141 | 0 | 0 | 107 | P182 V186 | P182-E184 PolarHBondContact O-N 3.32Å; E184-V186 PolarHBondContact O-N 3.11Å | ||
| 185 | S | 45.2 | Very low | 49.4 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | trans | -77.3 | 120 | -178.1 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | T183 K187 | T183-S185 WeakPolarHBondContact CB-OG 3.27Å; T183-S185 PolarHBondContact O-N 2.94Å; S185-K187 PolarHBondContact O-N 3.09Å; S185-K187 VanDerWaalsContact O-N 3.16Å | ||
| 186 | V | 46.2 | Very low | 47 | Very low | 143 Ų | 143 | 121 Ų | 121 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -61.7 | 110.7 | 172.4 | -76.1 | 0 | 0 | 0 | 0 | 112.2 | E184 | E184-V186 PolarHBondContact O-N 3.11Š| ||
| 187 | K | 40.3 | Very low | 44.7 | Very low | 197 Ų | 197 | 124.3 Ų | 124.3 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 175.6 | 144.2 | 159.1 | -104.8 | -174.1 | 175.4 | -169.3 | 0 | 108 | S185 | S185-K187 PolarHBondContact O-N 3.09Å; S185-K187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | S | 37 | Very low | 42.5 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | cis | -160.1 | 157 | -18.7 | 33.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 189 | E | 41.6 | Very low | 40.7 | Very low | 185 Ų | 185 | 124.3 Ų | 124.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -65.1 | 128.4 | 173.1 | -57.2 | 159.7 | 162 | 0 | 0 | 109.6 | ||||
| 190 | D | 38.9 | Very low | 39.8 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -170 | 147.6 | 159.5 | -90.8 | -43.4 | 0 | 0 | 0 | 109.3 | ||||
| 191 | E | 47 | Very low | 39 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -102 | 165.7 | -166.4 | -68.9 | -132.4 | 135.8 | 0 | 0 | 116.3 | ||||
| 192 | D | 36.7 | Very low | 38.1 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | trans | 71.6 | 149.6 | 153.1 | -164.2 | 41.8 | 0 | 0 | 0 | 120.8 | ||||
| 193 | G | 35.1 | Very low | 37.5 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 83% | 0.831 | S | S | * | * | trans | 118.5 | 89.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 194 | G | 32.4 | Very low | 37 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | 85.7 | 132.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 195 | G | 33 | Very low | 36.8 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | -100.1 | 176 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 196 | G | 32.8 | Very low | 37.1 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 172.3 | 118.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 197 | S | 36.7 | Very low | 36.9 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 94% | 0.937 | 83% | 0.831 | S | S | * | * | trans | -81.9 | 150.2 | 175.6 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 198 | G | 33.2 | Very low | 37.1 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -173 | 115.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 199 | S | 33.6 | Very low | 37.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 94% | 0.937 | 83% | 0.834 | S | S | * | * | trans | -77.5 | 153.5 | 177.2 | -49.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 200 | G | 32.5 | Very low | 37.8 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -176 | 36.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 201 | K | 34.2 | Very low | 38.4 | Very low | 215 Ų | 215 | 131.9 Ų | 131.9 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | trans | 41.9 | 110.6 | 137.2 | -159.9 | 177.8 | -173 | -180 | 0 | 121.3 | ||||
| 202 | G | 30 | Very low | 38.5 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | 84.7 | 149.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 203 | G | 31.1 | Very low | 39.6 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | cis | 179.6 | 165.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 204 | D | 36.3 | Very low | 41.2 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | 56.8 | 133.8 | 171.5 | -158.8 | 32.3 | 0 | 0 | 0 | 120.1 | ||||
| 205 | E | 40 | Very low | 42.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 83% | 0.827 | S | S | * | * | trans | 160.2 | 94.2 | 152.1 | -89.2 | -105.6 | 115.1 | 0 | 0 | 108.6 | K207 | E205-K207 PolarHBondContact O-N 3.1Š| ||
| 206 | G | 50.4 | Low | 44.9 | Very low | 79 Ų | 79 | 145.8 Ų | 145.8 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | trans | -69.9 | 81.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E208 | G206-E208 PolarHBondContact O-N 2.79Š| ||
| 207 | K | 41.8 | Very low | 47.1 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -73.4 | 96.2 | 174 | -94.1 | 173.8 | -179.9 | 158.4 | 0 | 112.7 | E205 H209 | E205-K207 PolarHBondContact O-N 3.1Å; K207-H209 PolarHBondContact O-N 3.48Å; K207-H209 PolarHBondContact O-ND1 3.33Å | ||
| 208 | E | 44.8 | Very low | 49.4 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | trans | -49.5 | 105.9 | 166.2 | -167 | -163.2 | 154.4 | 0 | 0 | 110.4 | G206 K210 | G206-E208 PolarHBondContact O-N 2.79Å; E208-K210 PolarHBondContact O-N 2.97Å | ||
| 209 | H | 43.3 | Very low | 52.1 | Low | 178 Ų | 178 | 144 Ų | 144 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -74 | 78.3 | -180 | -84.3 | 58.7 | 0 | 0 | 0 | 110.9 | K207 R211 | K207-H209 PolarHBondContact O-N 3.48Å; K207-H209 PolarHBondContact O-ND1 3.33Å; H209-R211 VanDerWaalsContact C-N 3.25Å; H209-R211 PolarHBondContact O-N 3.45Å | ||
| 210 | K | 49.7 | Very low | 54.9 | Low | 171 Ų | 171 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | -67.3 | 81 | 177.5 | -163.5 | 171.4 | -168.4 | 165.1 | 0 | 110.4 | E208 S212 | E208-K210 PolarHBondContact O-N 2.97Å; K210-S212 PolarHBondContact O-N 3.29Å | ||
| 211 | R | 51.7 | Low | 57.7 | Low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 73% | 0.733 | S | S | * | * | trans | -38.8 | 113.7 | 178 | -138 | 179.3 | -171.1 | -171.1 | 3.3 | 109.8 | H209 K213 | H209-R211 VanDerWaalsContact C-N 3.25Å; H209-R211 PolarHBondContact O-N 3.45Å; R211-K213 PolarHBondContact O-N 3.45Å | ||
| 212 | S | 50.3 | Low | 60.4 | Low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -60.1 | 104.3 | -175 | 36.9 | 0 | 0 | 0 | 0 | 110 | K210 R214 | K210-S212 PolarHBondContact O-N 3.29Å; S212-R214 PolarHBondContact O-N 3.1Å | ||
| 213 | K | 59.3 | Low | 63.3 | Low | 193 Ų | 193 | 136.3 Ų | 136.3 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 116.5 | 179.3 | -71.3 | 167.1 | -178 | 169.4 | 0 | 107.5 | R211 | R211-K213 PolarHBondContact O-N 3.45Š|
| 214 | R | 69.2 | Low | 66.4 | Low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 134.6 | 178.6 | -64.9 | 178.3 | -179.7 | 176.6 | -2.4 | 109.9 | S212 R216 | S212-R214 PolarHBondContact O-N 3.1Å; R214-R216 PolarHBondContact O-N 3Å |
| 215 | P | 65.7 | Low | 69.1 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.7 | -178.6 | 23.4 | -33 | 0 | 0 | 0 | 109.9 | ||
| 216 | R | 75.9 | Confident | 71.6 | Confident | 231 Ų | 231 | 133.9 Ų | 133.9 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 131 | 179 | -70.8 | -174.7 | 178.7 | 125.8 | -5.5 | 109.5 | R214 I218 | R214-R216 PolarHBondContact O-N 3Å; R216-I218 PolarHBondContact O-N 3.31Å; R216-I218 VanDerWaalsContact O-N 3.11Å |
| 217 | T | 80 | Confident | 73.9 | Confident | 86 Ų | 86 | 130.1 Ų | 130.1 | 53% | 0.528 | 61% | 0.608 | S | S | . | * | trans | -62.2 | 111.2 | 168.6 | -45.4 | 0 | 0 | 0 | 0 | 109.7 | L219 L251 | T217-L219 HydrophobicContact CG2-CD1 4.5Å; T217-L251 HydrophobicContact CG2-CD2 4.05Å | ||
| 218 | I | 84.4 | Confident | 76.4 | Confident | 151 Ų | 151 | 127.9 Ų | 127.9 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | trans | -89.5 | 112.4 | 174.5 | -58.7 | 175.9 | 0 | 0 | 0 | 107.6 | R216 | R216-I218 PolarHBondContact O-N 3.31Å; R216-I218 VanDerWaalsContact O-N 3.11Å | ||
| 219 | L | 90.7 | Very high | 78.7 | Confident | 26 Ų | 26 | 122.8 Ų | 122.8 | 14% | 0.136 | 58% | 0.583 | C | S | . | * | trans | -68.5 | 148 | 175 | -78.1 | 63.6 | 0 | 0 | 0 | 110.2 | T217 Q223 R224 F227 L251 V255 W259 | T217-L219 HydrophobicContact CG2-CD1 4.5Å; L219-Q223 VanDerWaalsContact CA-OE1 3.3Å; L219-Q223 HydrophobicContact CB-CB 4.48Å; L219-R224 HydrophobicContact CB-CG 4.21Å; L219-R224 HydrophobicContact CD2-CG 4.4Å; L219-R224 VanDerWaalsContact O-CZ 3.26Å; L219-R224 PolarHBondContact O-NH1 3.33Å; L219-R224 PolarHBondContact O-NH2 3.07Å; L219-F227 HydrophobicContact CD2-CD2 3.77Å; L219-F227 HydrophobicContact CD2-CE2 3.62Å; L219-F227 HydrophobicContact CG-CE2 4.43Å; L219-L251 HydrophobicContact CG-CD1 4.2Å; L219-V255 HydrophobicContact CD1-CG1 4.41Å; L219-W259 HydrophobicContact CD2-CG 4.35Å | ||
| 220 | T | 92.6 | Very high | 81.2 | Confident | 71 Ų | 71 | 115.8 Ų | 115.8 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | trans | -79.1 | 167.8 | 169.7 | 78.1 | 0 | 0 | 0 | 0 | 111.2 | Q222 Q223 R224 | T220-Q222 VanDerWaalsContact C-N 3.32Å; T220-Q222 PolarHBondContact OG1-N 3.33Å; T220-Q223 PolarHBondContact O-N 3.29Å; T220-Q223 VanDerWaalsContact OG1-CG 3.31Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.45Å; T220-Q223 PolarHBondContact OG1-N 3.28Å; T220-R224 VanDerWaalsContact C-NH2 3.33Å; T220-R224 PolarHBondContact O-N 3.05Å | ||
| 221 | T | 90.2 | Very high | 83.4 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | R224 R225 | T221-R224 PolarHBondContact OG1-NH2 2.89Å; T221-R224 VanDerWaalsContact OG1-NH2 3.07Å; T221-R225 WeakPolarHBondContact O-CG 3.28Å; T221-R225 PolarHBondContact O-N 3.06Å; T221-R225 VanDerWaalsContact O-N 3.08Å |
| 222 | Q | 90.8 | Very high | 85.4 | Confident | 163 Ų | 163 | 104.3 Ų | 104.3 | 76% | 0.762 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -47.6 | 173.3 | -174.7 | 174.6 | -1.8 | 0 | 0 | 111.5 | T220 R224 R225 A226 | T220-Q222 VanDerWaalsContact C-N 3.32Å; T220-Q222 PolarHBondContact OG1-N 3.33Å; Q222-R224 VanDerWaalsContact C-N 3.32Å; Q222-R224 PolarHBondContact O-N 3.02Å; Q222-R225 PolarHBondContact O-N 3.45Å; Q222-R225 VanDerWaalsContact O-N 3.08Å; Q222-A226 PolarHBondContact O-N 3.23Å |
| 223 | Q | 92.4 | Very high | 87.5 | Confident | 27 Ų | 27 | 105 Ų | 105 | 13% | 0.126 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 175.9 | -66.9 | 170.5 | -22.2 | 0 | 0 | 111.8 | L219 T220 R225 A226 F227 T249 L251 | L219-Q223 VanDerWaalsContact CA-OE1 3.3Å; L219-Q223 HydrophobicContact CB-CB 4.48Å; T220-Q223 PolarHBondContact O-N 3.29Å; T220-Q223 VanDerWaalsContact OG1-CG 3.31Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.45Å; T220-Q223 PolarHBondContact OG1-N 3.28Å; Q223-R225 PolarHBondContact O-N 3.01Å; Q223-A226 PolarHBondContact O-N 3.05Å; Q223-F227 WeakPolarHBondContact O-CD2 3.41Å; Q223-F227 WeakPolarHBondContact O-CG 3.45Å; Q223-F227 PolarHBondContact O-N 3.08Å; Q223-T249 HydrophobicContact CB-CG2 4.33Å; Q223-T249 HydrophobicContact CG-CG2 4.16Å; Q223-T249 PolarHBondContact NE2-O 2.99Å; Q223-L251 HydrophobicContact CB-CD1 4.4Å; Q223-L251 HydrophobicContact CG-CD1 4.24Å |
| 224 | R | 94.6 | Very high | 88.9 | Confident | 108 Ų | 108 | 98 Ų | 98 | 41% | 0.408 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 173.8 | -80.4 | -174.6 | -75.4 | -86.1 | -6.7 | 113.4 | L219 T220 T221 Q222 K228 | L219-R224 HydrophobicContact CB-CG 4.21Å; L219-R224 HydrophobicContact CD2-CG 4.4Å; L219-R224 VanDerWaalsContact O-CZ 3.26Å; L219-R224 PolarHBondContact O-NH1 3.33Å; L219-R224 PolarHBondContact O-NH2 3.07Å; T220-R224 VanDerWaalsContact C-NH2 3.33Å; T220-R224 PolarHBondContact O-N 3.05Å; T221-R224 PolarHBondContact OG1-NH2 2.89Å; T221-R224 VanDerWaalsContact OG1-NH2 3.07Å; Q222-R224 VanDerWaalsContact C-N 3.32Å; Q222-R224 PolarHBondContact O-N 3.02Å; R224-K228 WeakPolarHBondContact O-CB 3.49Å; R224-K228 PolarHBondContact O-N 3.08Å |
| 225 | R | 93.9 | Very high | 90 | Very high | 191 Ų | 191 | 89.5 Ų | 89.5 | 72% | 0.721 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 177.5 | -76.5 | 177.1 | 179.6 | -174.9 | 0.2 | 111.1 | T221 Q222 Q223 K228 A229 | T221-R225 WeakPolarHBondContact O-CG 3.28Å; T221-R225 PolarHBondContact O-N 3.06Å; T221-R225 VanDerWaalsContact O-N 3.08Å; Q222-R225 PolarHBondContact O-N 3.45Å; Q222-R225 VanDerWaalsContact O-N 3.08Å; Q223-R225 PolarHBondContact O-N 3.01Å; R225-K228 PolarHBondContact O-N 2.88Å; R225-A229 PolarHBondContact O-N 2.91Å |
| 226 | A | 93.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 91.3 Ų | 91.3 | 26% | 0.264 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.9 | -51.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q222 Q223 K228 A229 S230 T249 | Q222-A226 PolarHBondContact O-N 3.23Å; Q223-A226 PolarHBondContact O-N 3.05Å; A226-K228 VanDerWaalsContact C-N 3.32Å; A226-K228 PolarHBondContact O-N 3.44Å; A226-A229 PolarHBondContact O-N 2.99Å; A226-S230 PolarHBondContact O-N 3.47Å; A226-S230 PolarHBondContact O-OG 2.92Å; A226-T249 HydrophobicContact CB-CG2 4.29Å |
| 227 | F | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.4 | -35 | 177.7 | -63.8 | -29.2 | 0 | 0 | 0 | 113.7 | L219 Q223 F231 L245 T249 L251 V256 W259 F260 | L219-F227 HydrophobicContact CD2-CD2 3.77Å; L219-F227 HydrophobicContact CD2-CE2 3.62Å; L219-F227 HydrophobicContact CG-CE2 4.43Å; Q223-F227 WeakPolarHBondContact O-CD2 3.41Å; Q223-F227 WeakPolarHBondContact O-CG 3.45Å; Q223-F227 PolarHBondContact O-N 3.08Å; F227-F231 VanDerWaalsContact O-CB 3.28Å; F227-F231 WeakPolarHBondContact O-CB 3.42Å; F227-F231 PolarHBondContact O-N 3.37Å; F227-L245 HydrophobicContact CD1-CD1 4.3Å; F227-L245 HydrophobicContact CD1-CD2 4.15Å; F227-L245 HydrophobicContact CE1-CB 4.19Å; F227-L245 HydrophobicContact CE1-CD2 4.42Å; F227-T249 HydrophobicContact CD1-CG2 4.36Å; F227-T249 HydrophobicContact CE1-CG2 3.68Å; F227-T249 HydrophobicContact CZ-CG2 3.87Å; F227-L251 HydrophobicContact CE2-CD1 3.78Å; F227-L251 HydrophobicContact CZ-CD1 3.69Å; F227-V256 HydrophobicContact CD1-CG1 4.45Å; F227-V256 HydrophobicContact CE1-CB 4.36Å; F227-V256 HydrophobicContact CE1-CG1 3.94Å; F227-V256 HydrophobicContact CE1-CG2 3.85Å; F227-V256 HydrophobicContact CZ-CB 4.45Å; F227-V256 HydrophobicContact CZ-CG1 4.48Å; F227-V256 HydrophobicContact CZ-CG2 3.84Å; F227-W259 HydrophobicContact CB-CD2 3.78Å; F227-W259 HydrophobicContact CB-CE3 3.7Å; F227-W259 HydrophobicContact CB-CH2 3.62Å; F227-W259 HydrophobicContact CB-CZ2 3.68Å; F227-W259 HydrophobicContact CB-CZ3 3.63Å; F227-W259 HydrophobicContact CD2-CB 4.42Å; F227-W259 AromaticContact CD2-CD1 3.9Å; F227-W259 AromaticContact CD2-CD2 3.84Å; F227-W259 HydrophobicContact CD2-CD2 3.84Å; F227-W259 AromaticContact CD2-CE2 3.99Å; F227-W259 HydrophobicContact CD2-CE3 4.43Å; F227-W259 AromaticContact CD2-CG 3.8Å; F227-W259 HydrophobicContact CD2-CG 3.8Å; F227-W259 AromaticContact CD2-NE1 3.98Å; F227-W259 HydrophobicContact CE2-CG 4.34Å; F227-W259 HydrophobicContact CG-CD2 4.08Å; F227-W259 HydrophobicContact CG-CE3 4.23Å; F227-W259 HydrophobicContact CG-CG 4.45Å; F227-W259 WeakPolarHBondContact O-CZ3 3.28Å; F227-F260 HydrophobicContact CD1-CE2 4.33Å |
| 228 | K | 94.4 | Very high | 92.7 | Very high | 118 Ų | 118 | 80.4 Ų | 80.4 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 175.8 | -166 | -176.5 | -176.9 | -104.2 | 0 | 111.7 | R224 R225 A226 S230 F231 E232 | R224-K228 WeakPolarHBondContact O-CB 3.49Å; R224-K228 PolarHBondContact O-N 3.08Å; R225-K228 PolarHBondContact O-N 2.88Å; A226-K228 VanDerWaalsContact C-N 3.32Å; A226-K228 PolarHBondContact O-N 3.44Å; K228-S230 VanDerWaalsContact C-N 3.35Å; K228-S230 PolarHBondContact O-N 3.21Å; K228-F231 WeakPolarHBondContact O-CB 3.39Å; K228-F231 PolarHBondContact O-N 2.85Å; K228-F231 VanDerWaalsContact O-N 3.09Å; K228-E232 VanDerWaalsContact CE-OE1 3.28Å; K228-E232 WeakPolarHBondContact CE-OE1 3.49Å; K228-E232 IonicContact NZ-OE1 2.92Å; K228-E232 PolarHBondContact NZ-OE1 3.48Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 2.93Å |
| 229 | A | 94.7 | Very high | 93.1 | Very high | 54 Ų | 54 | 80 Ų | 80 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R225 A226 F231 E232 V233 | R225-A229 PolarHBondContact O-N 2.91Å; A226-A229 PolarHBondContact O-N 2.99Å; A229-F231 VanDerWaalsContact C-N 3.33Å; A229-F231 PolarHBondContact O-N 2.82Å; A229-E232 PolarHBondContact O-N 2.84Å; A229-V233 PolarHBondContact O-N 2.66Å |
| 230 | S | 95 | Very high | 93.2 | Very high | 32 Ų | 32 | 86.3 Ų | 86.3 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69 | -27.9 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 113.8 | A226 K228 V233 S234 | A226-S230 PolarHBondContact O-N 3.47Å; A226-S230 PolarHBondContact O-OG 2.92Å; K228-S230 VanDerWaalsContact C-N 3.35Å; K228-S230 PolarHBondContact O-N 3.21Å; S230-V233 PolarHBondContact O-N 3.13Å; S230-S234 PolarHBondContact O-N 3.25Å |
| 231 | F | 96.3 | Very high | 93.4 | Very high | 31 Ų | 31 | 85.8 Ų | 85.8 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -70.6 | -34.7 | 174.8 | -171.9 | -84.8 | 0 | 0 | 0 | 112.7 | F227 K228 A229 V233 S234 A235 W259 F260 Q263 R264 M267 | F227-F231 VanDerWaalsContact O-CB 3.28Å; F227-F231 WeakPolarHBondContact O-CB 3.42Å; F227-F231 PolarHBondContact O-N 3.37Å; K228-F231 WeakPolarHBondContact O-CB 3.39Å; K228-F231 PolarHBondContact O-N 2.85Å; K228-F231 VanDerWaalsContact O-N 3.09Å; A229-F231 VanDerWaalsContact C-N 3.33Å; A229-F231 PolarHBondContact O-N 2.82Å; F231-V233 VanDerWaalsContact C-N 3.31Å; F231-S234 CarbonylContact O-C 3.6Å; F231-S234 PolarHBondContact O-N 3.32Å; F231-A235 HydrophobicContact CE1-CB 4.21Å; F231-A235 HydrophobicContact CE2-CB 3.94Å; F231-A235 HydrophobicContact CZ-CB 3.75Å; F231-A235 PolarHBondContact O-N 3.3Å; F231-W259 HydrophobicContact CB-CH2 4.32Å; F231-W259 HydrophobicContact CB-CZ3 4.1Å; F231-W259 HydrophobicContact CD2-CZ3 4.09Å; F231-W259 HydrophobicContact CG-CZ3 4.39Å; F231-F260 HydrophobicContact CB-CE1 3.86Å; F231-F260 HydrophobicContact CB-CZ 4.39Å; F231-F260 AromaticContact CD2-CD1 3.6Å; F231-F260 HydrophobicContact CD2-CD1 3.6Å; F231-F260 AromaticContact CD2-CE1 3.71Å; F231-F260 HydrophobicContact CD2-CE1 3.71Å; F231-F260 HydrophobicContact CE2-CD1 4.3Å; F231-F260 HydrophobicContact CG-CE1 4.26Å; F231-Q263 HydrophobicContact CD1-CG 4.25Å; F231-Q263 HydrophobicContact CD2-CB 4.2Å; F231-Q263 HydrophobicContact CD2-CG 3.67Å; F231-Q263 HydrophobicContact CE1-CG 4.1Å; F231-Q263 HydrophobicContact CE2-CB 3.92Å; F231-Q263 HydrophobicContact CE2-CG 3.5Å; F231-Q263 HydrophobicContact CG-CG 4.07Å; F231-Q263 HydrophobicContact CZ-CB 4.49Å; F231-Q263 HydrophobicContact CZ-CG 3.73Å; F231-R264 HydrophobicContact CE2-CG 3.91Å; F231-R264 HydrophobicContact CZ-CG 4.17Å; F231-M267 HydrophobicContact CE1-CG 4.29Å; F231-M267 HydrophobicContact CZ-CG 4.2Å |
| 232 | E | 94.1 | Very high | 93.7 | Very high | 129 Ų | 129 | 84.7 Ų | 84.7 | 60% | 0.603 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | 174.6 | -71.7 | 165 | -174.4 | 0 | 0 | 111.2 | K228 A229 | K228-E232 VanDerWaalsContact CE-OE1 3.28Å; K228-E232 WeakPolarHBondContact CE-OE1 3.49Å; K228-E232 IonicContact NZ-OE1 2.92Å; K228-E232 PolarHBondContact NZ-OE1 3.48Å; K228-E232 WeakPolarHBondContact O-CG 3.43Å; K228-E232 PolarHBondContact O-N 2.93Å; A229-E232 PolarHBondContact O-N 2.84Å |
| 233 | V | 93.4 | Very high | 93.9 | Very high | 132 Ų | 132 | 80.6 Ų | 80.6 | 80% | 0.8 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -74.2 | -42.3 | 171.6 | -179.4 | 0 | 0 | 0 | 0 | 112 | A229 S230 F231 | A229-V233 PolarHBondContact O-N 2.66Å; S230-V233 PolarHBondContact O-N 3.13Å; F231-V233 VanDerWaalsContact C-N 3.31Å |
| 234 | S | 89.6 | Confident | 94.1 | Very high | 47 Ų | 47 | 82.4 Ų | 82.4 | 33% | 0.329 | 41% | 0.413 | S | S | . | . | trans | -153 | 118.9 | 175.5 | -179.8 | 0 | 0 | 0 | 0 | 113.3 | S230 F231 K236 P237 | S230-S234 PolarHBondContact O-N 3.25Å; F231-S234 CarbonylContact O-C 3.6Å; F231-S234 PolarHBondContact O-N 3.32Å; S234-K236 PolarHBondContact O-N 2.9Å; S234-K236 PolarHBondContact OG-N 2.86Å; S234-K236 PolarHBondContact OG-O 3.21Å; S234-P237 WeakPolarHBondContact O-CD 3.44Å | ||
| 235 | A | 90.5 | Very high | 94.1 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -66.4 | -12.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F231 R264 | F231-A235 HydrophobicContact CE1-CB 4.21Å; F231-A235 HydrophobicContact CE2-CB 3.94Å; F231-A235 HydrophobicContact CZ-CB 3.75Å; F231-A235 PolarHBondContact O-N 3.3Å; A235-R264 VanDerWaalsContact O-CD 3.31Å; A235-R264 WeakPolarHBondContact O-CD 3.36Å; A235-R264 PolarHBondContact O-NH1 2.91Å |
| 236 | K | 93.4 | Very high | 94.3 | Very high | 163 Ų | 163 | 68.8 Ų | 68.8 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -133.1 | 72.1 | 178 | -67.7 | -178.2 | -177.3 | 175.1 | 0 | 109.7 | S234 C238 | S234-K236 PolarHBondContact O-N 2.9Å; S234-K236 PolarHBondContact OG-N 2.86Å; S234-K236 PolarHBondContact OG-O 3.21Å; K236-C238 PolarHBondContact O-N 3.17Å |
| 237 | P | 91.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 71.2 Ų | 71.2 | 7% | 0.065 | 38% | 0.384 | C | S | . | . | trans | -62.2 | 137.1 | -178.3 | 27.7 | -37.1 | 0 | 0 | 0 | 111.4 | S234 V241 R242 F260 | S234-P237 WeakPolarHBondContact O-CD 3.44Å; P237-V241 HydrophobicContact CB-CB 4.09Å; P237-V241 HydrophobicContact CB-CG1 3.73Å; P237-R242 HydrophobicContact CB-CG 4.02Å; P237-R242 HydrophobicContact CG-CG 3.71Å; P237-R242 PolarHBondContact O-NE 3.31Å; P237-F260 HydrophobicContact CB-CE1 4.4Å; P237-F260 HydrophobicContact CG-CD1 3.53Å; P237-F260 HydrophobicContact CG-CD2 4.08Å; P237-F260 HydrophobicContact CG-CE1 3.51Å; P237-F260 HydrophobicContact CG-CE2 4.08Å; P237-F260 HydrophobicContact CG-CG 3.84Å; P237-F260 HydrophobicContact CG-CZ 3.81Å | ||
| 238 | C | 94.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 53% | 0.527 | 42% | 0.415 | S | S | . | . | trans | -65.3 | 170.2 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 111.3 | K236 K240 V241 R242 | K236-C238 PolarHBondContact O-N 3.17Å; C238-K240 PolarHBondContact O-N 3.09Å; C238-V241 PolarHBondContact O-N 3.06Å; C238-R242 PolarHBondContact O-N 3.32Å; C238-R242 VanDerWaalsContact O-N 3.11Å | ||
| 239 | R | 92.6 | Very high | 94.2 | Very high | 142 Ų | 142 | 73 Ų | 73 | 54% | 0.536 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -54.3 | -52.3 | -177.2 | 179.9 | 172.5 | 176.4 | 152 | 2.8 | 112.3 | V241 R242 E243 | R239-V241 PolarHBondContact O-N 3.39Å; R239-R242 WeakPolarHBondContact O-CB 3.31Å; R239-R242 PolarHBondContact O-N 2.91Å; R239-E243 HydrophobicContact CG-CG 4.39Å; R239-E243 WeakPolarHBondContact CG-OE1 2.84Å; R239-E243 IonicContact CZ-OE1 3.57Å; R239-E243 IonicContact NE-OE1 3.5Å; R239-E243 PolarHBondContact NE-OE1 3.01Å; R239-E243 IonicContact NH2-OE1 2.85Å; R239-E243 PolarHBondContact NH2-OE1 3.35Å; R239-E243 WeakPolarHBondContact O-CG 3.35Å; R239-E243 PolarHBondContact O-N 3.44Å |
| 240 | K | 93.8 | Very high | 94.1 | Very high | 159 Ų | 159 | 73.7 Ų | 73.7 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.8 | -46 | 179.3 | -170.3 | 173.4 | -176.8 | 177 | 0 | 112.7 | C238 R242 E243 T244 | C238-K240 PolarHBondContact O-N 3.09Å; K240-R242 VanDerWaalsContact C-N 3.34Å; K240-R242 PolarHBondContact O-N 3.42Å; K240-E243 PolarHBondContact O-N 3.48Å; K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.35Å; K240-T244 VanDerWaalsContact O-OG1 3.11Å |
| 241 | V | 95.8 | Very high | 94.1 | Very high | 60 Ų | 60 | 73.4 Ų | 73.4 | 36% | 0.364 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | P237 C238 R239 L245 | P237-V241 HydrophobicContact CB-CB 4.09Å; P237-V241 HydrophobicContact CB-CG1 3.73Å; C238-V241 PolarHBondContact O-N 3.06Å; R239-V241 PolarHBondContact O-N 3.39Å; V241-L245 HydrophobicContact CG1-CD1 4.09Å; V241-L245 VanDerWaalsContact O-CB 3.32Å; V241-L245 WeakPolarHBondContact O-CB 3.38Å; V241-L245 WeakPolarHBondContact O-CG 3.41Å; V241-L245 PolarHBondContact O-N 3.01Å |
| 242 | R | 96.3 | Very high | 94 | Very high | 60 Ų | 60 | 76.2 Ų | 76.2 | 23% | 0.226 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 175.4 | -70.9 | -174.1 | -77.9 | 141.4 | -2.2 | 112.7 | P237 C238 R239 K240 A246 V253 V256 | P237-R242 HydrophobicContact CB-CG 4.02Å; P237-R242 HydrophobicContact CG-CG 3.71Å; P237-R242 PolarHBondContact O-NE 3.31Å; C238-R242 PolarHBondContact O-N 3.32Å; C238-R242 VanDerWaalsContact O-N 3.11Å; R239-R242 WeakPolarHBondContact O-CB 3.31Å; R239-R242 PolarHBondContact O-N 2.91Å; K240-R242 VanDerWaalsContact C-N 3.34Å; K240-R242 PolarHBondContact O-N 3.42Å; R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.06Å; R242-V253 HydrophobicContact CB-CG1 4.37Å; R242-V256 HydrophobicContact CB-CG1 4.41Å; R242-V256 HydrophobicContact CG-CG1 4.33Å |
| 243 | E | 96.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.36 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.9 | -44.9 | 175.5 | -71.5 | 164.9 | 163.6 | 0 | 0 | 111.2 | R239 K240 A246 A247 V253 | R239-E243 HydrophobicContact CG-CG 4.39Å; R239-E243 WeakPolarHBondContact CG-OE1 2.84Å; R239-E243 IonicContact CZ-OE1 3.57Å; R239-E243 IonicContact NE-OE1 3.5Å; R239-E243 PolarHBondContact NE-OE1 3.01Å; R239-E243 IonicContact NH2-OE1 2.85Å; R239-E243 PolarHBondContact NH2-OE1 3.35Å; R239-E243 WeakPolarHBondContact O-CG 3.35Å; R239-E243 PolarHBondContact O-N 3.44Å; K240-E243 PolarHBondContact O-N 3.48Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 3.36Å; E243-A247 PolarHBondContact O-N 2.9Å; E243-V253 HydrophobicContact CG-CG2 4.31Å |
| 244 | T | 94.9 | Very high | 94 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.7 | -50.2 | 171.9 | -61 | 0 | 0 | 0 | 0 | 111.4 | K240 A246 A247 E248 | K240-T244 PolarHBondContact O-N 3.43Å; K240-T244 PolarHBondContact O-OG1 3.35Å; K240-T244 VanDerWaalsContact O-OG1 3.11Å; T244-A246 VanDerWaalsContact C-N 3.29Å; T244-A246 PolarHBondContact O-N 3.05Å; T244-A247 PolarHBondContact O-N 3.42Å; T244-E248 HydrophobicContact CG2-CG 4.29Å; T244-E248 VanDerWaalsContact CG2-OE1 3.27Å; T244-E248 WeakPolarHBondContact CG2-OE1 3.13Å; T244-E248 WeakPolarHBondContact O-CG 3.29Å; T244-E248 PolarHBondContact O-N 3.25Å |
| 245 | L | 95.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -35 | 177.2 | -81.7 | 172 | 0 | 0 | 0 | 113.3 | F227 V241 T249 V256 F260 | F227-L245 HydrophobicContact CD1-CD1 4.3Å; F227-L245 HydrophobicContact CD1-CD2 4.15Å; F227-L245 HydrophobicContact CE1-CB 4.19Å; F227-L245 HydrophobicContact CE1-CD2 4.42Å; V241-L245 HydrophobicContact CG1-CD1 4.09Å; V241-L245 VanDerWaalsContact O-CB 3.32Å; V241-L245 WeakPolarHBondContact O-CB 3.38Å; V241-L245 WeakPolarHBondContact O-CG 3.41Å; V241-L245 PolarHBondContact O-N 3.01Å; L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.43Å; L245-T249 WeakPolarHBondContact O-CG2 3.41Å; L245-T249 PolarHBondContact O-N 2.98Å; L245-T249 PolarHBondContact O-OG1 3.33Å; L245-V256 HydrophobicContact CB-CG1 4.14Å; L245-V256 HydrophobicContact CD1-CG1 4.36Å; L245-F260 HydrophobicContact CD1-CE2 3.96Å; L245-F260 HydrophobicContact CD1-CZ 4.11Å |
| 246 | A | 97.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R242 E243 T244 G250 L251 V253 V256 | R242-A246 WeakPolarHBondContact O-CB 3.49Å; R242-A246 PolarHBondContact O-N 3.06Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 3.36Å; T244-A246 VanDerWaalsContact C-N 3.29Å; T244-A246 PolarHBondContact O-N 3.05Å; A246-G250 PolarHBondContact O-N 2.84Å; A246-L251 CarbonylContact C-O 3.53Å; A246-L251 VanDerWaalsContact CA-O 3.31Å; A246-L251 WeakPolarHBondContact CA-O 3.46Å; A246-L251 VanDerWaalsContact CB-O 3.22Å; A246-L251 WeakPolarHBondContact CB-O 3.43Å; A246-L251 PolarHBondContact O-N 3.23Å; A246-L251 VanDerWaalsContact O-N 3.14Å; A246-V253 HydrophobicContact CB-CB 4.36Å; A246-V253 HydrophobicContact CB-CG2 3.61Å; A246-V256 HydrophobicContact CB-CG2 3.96Å |
| 247 | A | 95.5 | Very high | 94.5 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 69% | 0.694 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.5 | -49 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E243 T244 T249 G250 | E243-A247 PolarHBondContact O-N 2.9Å; T244-A247 PolarHBondContact O-N 3.42Å; A247-T249 VanDerWaalsContact C-N 3.35Å; A247-T249 PolarHBondContact O-N 3.32Å; A247-G250 PolarHBondContact O-N 3.05Å |
| 248 | E | 93.4 | Very high | 94.7 | Very high | 139 Ų | 139 | 67.6 Ų | 67.6 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.9 | -33.9 | 180 | -72 | 174.2 | 177.7 | 0 | 0 | 113.5 | T244 | T244-E248 HydrophobicContact CG2-CG 4.29Å; T244-E248 VanDerWaalsContact CG2-OE1 3.27Å; T244-E248 WeakPolarHBondContact CG2-OE1 3.13Å; T244-E248 WeakPolarHBondContact O-CG 3.29Å; T244-E248 PolarHBondContact O-N 3.25Å |
| 249 | T | 93.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -91.6 | -9.2 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | Q223 A226 F227 L245 A247 L251 | Q223-T249 HydrophobicContact CB-CG2 4.33Å; Q223-T249 HydrophobicContact CG-CG2 4.16Å; Q223-T249 PolarHBondContact NE2-O 2.99Å; A226-T249 HydrophobicContact CB-CG2 4.29Å; F227-T249 HydrophobicContact CD1-CG2 4.36Å; F227-T249 HydrophobicContact CE1-CG2 3.68Å; F227-T249 HydrophobicContact CZ-CG2 3.87Å; L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.43Å; L245-T249 WeakPolarHBondContact O-CG2 3.41Å; L245-T249 PolarHBondContact O-N 2.98Å; L245-T249 PolarHBondContact O-OG1 3.33Å; A247-T249 VanDerWaalsContact C-N 3.35Å; A247-T249 PolarHBondContact O-N 3.32Å; T249-L251 PolarHBondContact O-N 3.12Å |
| 250 | G | 93.5 | Very high | 95 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 72% | 0.722 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 27.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A246 A247 | A246-G250 PolarHBondContact O-N 2.84Å; A247-G250 PolarHBondContact O-N 3.05Å |
| 251 | L | 95.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | trans | -116.2 | 151.6 | -177.7 | -66.8 | 173.5 | 0 | 0 | 0 | 110.2 | T217 L219 Q223 F227 A246 T249 V255 | T217-L251 HydrophobicContact CG2-CD2 4.05Å; L219-L251 HydrophobicContact CG-CD1 4.2Å; Q223-L251 HydrophobicContact CB-CD1 4.4Å; Q223-L251 HydrophobicContact CG-CD1 4.24Å; F227-L251 HydrophobicContact CE2-CD1 3.78Å; F227-L251 HydrophobicContact CZ-CD1 3.69Å; A246-L251 CarbonylContact C-O 3.53Å; A246-L251 VanDerWaalsContact CA-O 3.31Å; A246-L251 WeakPolarHBondContact CA-O 3.46Å; A246-L251 VanDerWaalsContact CB-O 3.22Å; A246-L251 WeakPolarHBondContact CB-O 3.43Å; A246-L251 PolarHBondContact O-N 3.23Å; A246-L251 VanDerWaalsContact O-N 3.14Å; T249-L251 PolarHBondContact O-N 3.12Å; L251-V255 HydrophobicContact CB-CB 4.34Å; L251-V255 HydrophobicContact CB-CG1 4.27Å; L251-V255 HydrophobicContact CD1-CG1 4.05Å; L251-V255 HydrophobicContact CD2-CG1 4.36Å; L251-V255 HydrophobicContact CG-CG1 4.47Å | ||
| 252 | T | 94.1 | Very high | 95.1 | Very high | 91 Ų | 91 | 57.8 Ų | 57.8 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | trans | -66.1 | 147.3 | 176.5 | 68.6 | 0 | 0 | 0 | 0 | 110.9 | R254 V255 V256 | T252-R254 PolarHBondContact O-N 3.07Å; T252-V255 WeakPolarHBondContact O-CA 3.42Å; T252-V255 WeakPolarHBondContact O-CB 3.49Å; T252-V255 PolarHBondContact O-N 3.35Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.5Å; T252-V255 PolarHBondContact OG1-N 2.89Å; T252-V256 PolarHBondContact O-N 3.42Å; T252-V256 VanDerWaalsContact O-N 3.15Å | ||
| 253 | V | 93 | Very high | 95 | Very high | 57 Ų | 57 | 56.8 Ų | 56.8 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.1 | -31.3 | 176 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | R242 E243 A246 V256 Q257 | R242-V253 HydrophobicContact CB-CG1 4.37Å; E243-V253 HydrophobicContact CG-CG2 4.31Å; A246-V253 HydrophobicContact CB-CB 4.36Å; A246-V253 HydrophobicContact CB-CG2 3.61Å; V253-V256 PolarHBondContact O-N 2.93Å; V253-Q257 WeakPolarHBondContact O-CB 3.48Å; V253-Q257 PolarHBondContact O-N 3.3Å |
| 254 | R | 93.7 | Very high | 94.9 | Very high | 141 Ų | 141 | 57.1 Ų | 57.1 | 53% | 0.532 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 173.7 | -170 | 172.4 | -179.1 | 91.2 | -1.3 | 112.9 | T252 Q257 V258 | T252-R254 PolarHBondContact O-N 3.07Å; R254-Q257 PolarHBondContact O-N 3.44Å; R254-V258 HydrophobicContact CG-CG2 4.39Å; R254-V258 WeakPolarHBondContact O-CB 3.36Å; R254-V258 VanDerWaalsContact O-CG2 3.27Å; R254-V258 WeakPolarHBondContact O-CG2 3.45Å; R254-V258 PolarHBondContact O-N 3.43Å |
| 255 | V | 94.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 19% | 0.194 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L219 L251 T252 V258 W259 | L219-V255 HydrophobicContact CD1-CG1 4.41Å; L251-V255 HydrophobicContact CB-CB 4.34Å; L251-V255 HydrophobicContact CB-CG1 4.27Å; L251-V255 HydrophobicContact CD1-CG1 4.05Å; L251-V255 HydrophobicContact CD2-CG1 4.36Å; L251-V255 HydrophobicContact CG-CG1 4.47Å; T252-V255 WeakPolarHBondContact O-CA 3.42Å; T252-V255 WeakPolarHBondContact O-CB 3.49Å; T252-V255 PolarHBondContact O-N 3.35Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.5Å; T252-V255 PolarHBondContact OG1-N 2.89Å; V255-V258 PolarHBondContact O-N 3.32Å; V255-W259 WeakPolarHBondContact O-CB 3.23Å; V255-W259 PolarHBondContact O-N 2.82Å |
| 256 | V | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -51.2 | 173.6 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | F227 R242 L245 A246 T252 V253 V258 W259 F260 | F227-V256 HydrophobicContact CD1-CG1 4.45Å; F227-V256 HydrophobicContact CE1-CB 4.36Å; F227-V256 HydrophobicContact CE1-CG1 3.94Å; F227-V256 HydrophobicContact CE1-CG2 3.85Å; F227-V256 HydrophobicContact CZ-CB 4.45Å; F227-V256 HydrophobicContact CZ-CG1 4.48Å; F227-V256 HydrophobicContact CZ-CG2 3.84Å; R242-V256 HydrophobicContact CB-CG1 4.41Å; R242-V256 HydrophobicContact CG-CG1 4.33Å; L245-V256 HydrophobicContact CB-CG1 4.14Å; L245-V256 HydrophobicContact CD1-CG1 4.36Å; A246-V256 HydrophobicContact CB-CG2 3.96Å; T252-V256 PolarHBondContact O-N 3.42Å; T252-V256 VanDerWaalsContact O-N 3.15Å; V253-V256 PolarHBondContact O-N 2.93Å; V256-V258 PolarHBondContact O-N 3.36Å; V256-W259 WeakPolarHBondContact O-CB 3.49Å; V256-W259 PolarHBondContact O-N 2.96Å; V256-F260 HydrophobicContact CG1-CD2 3.97Å; V256-F260 HydrophobicContact CG1-CE2 3.98Å; V256-F260 WeakPolarHBondContact O-CD2 3.35Å; V256-F260 PolarHBondContact O-N 3.23Å |
| 257 | Q | 95.4 | Very high | 94.3 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 179.4 | 174.6 | 168.7 | -32.5 | 0 | 0 | 113 | V253 R254 W259 F260 Q261 | V253-Q257 WeakPolarHBondContact O-CB 3.48Å; V253-Q257 PolarHBondContact O-N 3.3Å; R254-Q257 PolarHBondContact O-N 3.44Å; Q257-W259 VanDerWaalsContact C-N 3.32Å; Q257-W259 PolarHBondContact O-N 3.05Å; Q257-F260 PolarHBondContact O-N 2.97Å; Q257-Q261 VanDerWaalsContact O-CG 3.31Å; Q257-Q261 WeakPolarHBondContact O-CG 3.37Å; Q257-Q261 PolarHBondContact O-N 3.01Å |
| 258 | V | 95.5 | Very high | 94.2 | Very high | 52 Ų | 52 | 69 Ų | 69 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 177.8 | 169.2 | 0 | 0 | 0 | 0 | 111 | R254 V255 V256 Q261 N262 | R254-V258 HydrophobicContact CG-CG2 4.39Å; R254-V258 WeakPolarHBondContact O-CB 3.36Å; R254-V258 VanDerWaalsContact O-CG2 3.27Å; R254-V258 WeakPolarHBondContact O-CG2 3.45Å; R254-V258 PolarHBondContact O-N 3.43Å; V255-V258 PolarHBondContact O-N 3.32Å; V256-V258 PolarHBondContact O-N 3.36Å; V258-Q261 PolarHBondContact O-N 3.39Å; V258-N262 WeakPolarHBondContact O-CB 3.41Å; V258-N262 VanDerWaalsContact O-CG 3.23Å; V258-N262 PolarHBondContact O-N 3.35Å; V258-N262 PolarHBondContact O-ND2 3.43Å |
| 259 | W | 95.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 17% | 0.167 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 174 | -171.6 | 96.3 | 0 | 0 | 0 | 111.5 | L219 F227 F231 V255 V256 Q257 Q261 N262 Q263 | L219-W259 HydrophobicContact CD2-CG 4.35Å; F227-W259 HydrophobicContact CB-CD2 3.78Å; F227-W259 HydrophobicContact CB-CE3 3.7Å; F227-W259 HydrophobicContact CB-CH2 3.62Å; F227-W259 HydrophobicContact CB-CZ2 3.68Å; F227-W259 HydrophobicContact CB-CZ3 3.63Å; F227-W259 HydrophobicContact CD2-CB 4.42Å; F227-W259 AromaticContact CD2-CD1 3.9Å; F227-W259 AromaticContact CD2-CD2 3.84Å; F227-W259 HydrophobicContact CD2-CD2 3.84Å; F227-W259 AromaticContact CD2-CE2 3.99Å; F227-W259 HydrophobicContact CD2-CE3 4.43Å; F227-W259 AromaticContact CD2-CG 3.8Å; F227-W259 HydrophobicContact CD2-CG 3.8Å; F227-W259 AromaticContact CD2-NE1 3.98Å; F227-W259 HydrophobicContact CE2-CG 4.34Å; F227-W259 HydrophobicContact CG-CD2 4.08Å; F227-W259 HydrophobicContact CG-CE3 4.23Å; F227-W259 HydrophobicContact CG-CG 4.45Å; F227-W259 WeakPolarHBondContact O-CZ3 3.28Å; F231-W259 HydrophobicContact CB-CH2 4.32Å; F231-W259 HydrophobicContact CB-CZ3 4.1Å; F231-W259 HydrophobicContact CD2-CZ3 4.09Å; F231-W259 HydrophobicContact CG-CZ3 4.39Å; V255-W259 WeakPolarHBondContact O-CB 3.23Å; V255-W259 PolarHBondContact O-N 2.82Å; V256-W259 WeakPolarHBondContact O-CB 3.49Å; V256-W259 PolarHBondContact O-N 2.96Å; Q257-W259 VanDerWaalsContact C-N 3.32Å; Q257-W259 PolarHBondContact O-N 3.05Å; W259-Q261 VanDerWaalsContact C-N 3.35Å; W259-Q261 PolarHBondContact O-N 2.93Å; W259-N262 PolarHBondContact O-N 3.41Å; W259-Q263 HydrophobicContact CE3-CB 4.2Å; W259-Q263 HydrophobicContact CH2-CB 4.25Å; W259-Q263 HydrophobicContact CH2-CG 3.95Å; W259-Q263 HydrophobicContact CZ3-CB 3.98Å; W259-Q263 HydrophobicContact CZ3-CG 4.02Å; W259-Q263 WeakPolarHBondContact O-CB 3.45Å; W259-Q263 PolarHBondContact O-N 3.47Å |
| 260 | F | 97.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.1 | -86.2 | -93.4 | 0 | 0 | 0 | 112.9 | F227 F231 P237 L245 V256 Q257 R264 | F227-F260 HydrophobicContact CD1-CE2 4.33Å; F231-F260 HydrophobicContact CB-CE1 3.86Å; F231-F260 HydrophobicContact CB-CZ 4.39Å; F231-F260 AromaticContact CD2-CD1 3.6Å; F231-F260 HydrophobicContact CD2-CD1 3.6Å; F231-F260 AromaticContact CD2-CE1 3.71Å; F231-F260 HydrophobicContact CD2-CE1 3.71Å; F231-F260 HydrophobicContact CE2-CD1 4.3Å; F231-F260 HydrophobicContact CG-CE1 4.26Å; P237-F260 HydrophobicContact CB-CE1 4.4Å; P237-F260 HydrophobicContact CG-CD1 3.53Å; P237-F260 HydrophobicContact CG-CD2 4.08Å; P237-F260 HydrophobicContact CG-CE1 3.51Å; P237-F260 HydrophobicContact CG-CE2 4.08Å; P237-F260 HydrophobicContact CG-CG 3.84Å; P237-F260 HydrophobicContact CG-CZ 3.81Å; L245-F260 HydrophobicContact CD1-CE2 3.96Å; L245-F260 HydrophobicContact CD1-CZ 4.11Å; V256-F260 HydrophobicContact CG1-CD2 3.97Å; V256-F260 HydrophobicContact CG1-CE2 3.98Å; V256-F260 WeakPolarHBondContact O-CD2 3.35Å; V256-F260 PolarHBondContact O-N 3.23Å; Q257-F260 PolarHBondContact O-N 2.97Å; F260-R264 WeakPolarHBondContact O-CG 3.37Å; F260-R264 PolarHBondContact O-N 2.67Å; F260-R264 VanDerWaalsContact O-N 3.1Å; F260-R264 PolarHBondContact O-NH1 2.98Å |
| 261 | Q | 95.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 70.3 Ų | 70.3 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 172.6 | -74.3 | 172.5 | -12.2 | 0 | 0 | 111.5 | Q257 V258 W259 Q263 R264 A265 | Q257-Q261 VanDerWaalsContact O-CG 3.31Å; Q257-Q261 WeakPolarHBondContact O-CG 3.37Å; Q257-Q261 PolarHBondContact O-N 3.01Å; V258-Q261 PolarHBondContact O-N 3.39Å; W259-Q261 VanDerWaalsContact C-N 3.35Å; W259-Q261 PolarHBondContact O-N 2.93Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q261-Q263 PolarHBondContact O-N 2.86Å; Q261-R264 PolarHBondContact O-N 2.85Å; Q261-A265 PolarHBondContact O-N 3.47Å |
| 262 | N | 95.7 | Very high | 92.7 | Very high | 106 Ų | 106 | 74.3 Ų | 74.3 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 178.7 | -71.9 | -18.5 | 0 | 0 | 0 | 112.1 | V258 W259 A265 K266 | V258-N262 WeakPolarHBondContact O-CB 3.41Å; V258-N262 VanDerWaalsContact O-CG 3.23Å; V258-N262 PolarHBondContact O-N 3.35Å; V258-N262 PolarHBondContact O-ND2 3.43Å; W259-N262 PolarHBondContact O-N 3.41Å; N262-A265 PolarHBondContact O-N 3.37Å; N262-K266 WeakPolarHBondContact O-CB 3.32Å; N262-K266 PolarHBondContact O-N 3.3Å |
| 263 | Q | 94.2 | Very high | 92 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.5 | -174.9 | 61.5 | 14.7 | 0 | 0 | 111.7 | F231 W259 Q261 K266 M267 | F231-Q263 HydrophobicContact CD1-CG 4.25Å; F231-Q263 HydrophobicContact CD2-CB 4.2Å; F231-Q263 HydrophobicContact CD2-CG 3.67Å; F231-Q263 HydrophobicContact CE1-CG 4.1Å; F231-Q263 HydrophobicContact CE2-CB 3.92Å; F231-Q263 HydrophobicContact CE2-CG 3.5Å; F231-Q263 HydrophobicContact CG-CG 4.07Å; F231-Q263 HydrophobicContact CZ-CB 4.49Å; F231-Q263 HydrophobicContact CZ-CG 3.73Å; W259-Q263 HydrophobicContact CE3-CB 4.2Å; W259-Q263 HydrophobicContact CH2-CB 4.25Å; W259-Q263 HydrophobicContact CH2-CG 3.95Å; W259-Q263 HydrophobicContact CZ3-CB 3.98Å; W259-Q263 HydrophobicContact CZ3-CG 4.02Å; W259-Q263 WeakPolarHBondContact O-CB 3.45Å; W259-Q263 PolarHBondContact O-N 3.47Å; Q261-Q263 VanDerWaalsContact C-N 3.34Å; Q261-Q263 PolarHBondContact O-N 2.86Å; Q263-K266 PolarHBondContact O-N 2.82Å; Q263-M267 WeakPolarHBondContact O-CG 3.36Å; Q263-M267 PolarHBondContact O-N 2.89Å |
| 264 | R | 95.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 80.1 Ų | 80.1 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 171.6 | -73.9 | -167.4 | -60.2 | -83.5 | -3.4 | 112.5 | F231 A235 F260 Q261 K266 M267 K268 | F231-R264 HydrophobicContact CE2-CG 3.91Å; F231-R264 HydrophobicContact CZ-CG 4.17Å; A235-R264 VanDerWaalsContact O-CD 3.31Å; A235-R264 WeakPolarHBondContact O-CD 3.36Å; A235-R264 PolarHBondContact O-NH1 2.91Å; F260-R264 WeakPolarHBondContact O-CG 3.37Å; F260-R264 PolarHBondContact O-N 2.67Å; F260-R264 VanDerWaalsContact O-N 3.1Å; F260-R264 PolarHBondContact O-NH1 2.98Å; Q261-R264 PolarHBondContact O-N 2.85Å; R264-K266 VanDerWaalsContact C-N 3.3Å; R264-K266 PolarHBondContact O-N 3.37Å; R264-M267 PolarHBondContact O-N 3.39Å; R264-K268 PolarHBondContact O-N 3.33Å |
| 265 | A | 93.6 | Very high | 90.1 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 49% | 0.488 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q261 N262 K268 K269 | Q261-A265 PolarHBondContact O-N 3.47Å; N262-A265 PolarHBondContact O-N 3.37Å; A265-K268 PolarHBondContact O-N 2.88Å; A265-K269 PolarHBondContact O-N 3.3Å |
| 266 | K | 92.7 | Very high | 88.7 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 173.7 | -175.6 | 177.9 | 178 | -179.5 | 0 | 112.2 | N262 Q263 R264 K269 I270 | N262-K266 WeakPolarHBondContact O-CB 3.32Å; N262-K266 PolarHBondContact O-N 3.3Å; Q263-K266 PolarHBondContact O-N 2.82Å; R264-K266 VanDerWaalsContact C-N 3.3Å; R264-K266 PolarHBondContact O-N 3.37Å; K266-K269 PolarHBondContact O-N 2.87Å; K266-I270 HydrophobicContact CG-CD1 4.07Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.54Å |
| 267 | M | 88.9 | Confident | 86.9 | Confident | 81 Ų | 81 | 88.3 Ų | 88.3 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.2 | -67.4 | -64.6 | 96.2 | 0 | 0 | 111.8 | F231 Q263 R264 K269 I270 A271 | F231-M267 HydrophobicContact CE1-CG 4.29Å; F231-M267 HydrophobicContact CZ-CG 4.2Å; Q263-M267 WeakPolarHBondContact O-CG 3.36Å; Q263-M267 PolarHBondContact O-N 2.89Å; R264-M267 PolarHBondContact O-N 3.39Å; M267-K269 PolarHBondContact O-N 2.97Å; M267-I270 HydrophobicContact CE-CD1 3.87Å; M267-I270 PolarHBondContact O-N 3.36Å; M267-A271 PolarHBondContact O-N 3.28Å |
| 268 | K | 92.8 | Very high | 84.7 | Confident | 149 Ų | 149 | 88.7 Ų | 88.7 | 65% | 0.648 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | 174.8 | -172.8 | -174 | 174.3 | -170 | 0 | 111.7 | R264 A265 I270 A271 E272 | R264-K268 PolarHBondContact O-N 3.33Å; A265-K268 PolarHBondContact O-N 2.88Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 2.99Å; K268-A271 PolarHBondContact O-N 3.23Å; K268-E272 WeakPolarHBondContact O-CB 3.38Å; K268-E272 PolarHBondContact O-N 2.94Å |
| 269 | K | 91.8 | Very high | 82.4 | Confident | 149 Ų | 149 | 91.5 Ų | 91.5 | 65% | 0.648 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -37 | -179.7 | -174.2 | 173.6 | -179.6 | 176.9 | 0 | 112.8 | A265 K266 M267 Q273 | A265-K269 PolarHBondContact O-N 3.3Å; K266-K269 PolarHBondContact O-N 2.87Å; M267-K269 PolarHBondContact O-N 2.97Å; K269-Q273 WeakPolarHBondContact O-CB 3.31Å; K269-Q273 PolarHBondContact O-N 3.06Å |
| 270 | I | 85.7 | Confident | 79.8 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -48.5 | 176.7 | -69.5 | 168.8 | 0 | 0 | 0 | 110.4 | K266 M267 K268 E272 Q273 E274 | K266-I270 HydrophobicContact CG-CD1 4.07Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.54Å; M267-I270 HydrophobicContact CE-CD1 3.87Å; M267-I270 PolarHBondContact O-N 3.36Å; K268-I270 VanDerWaalsContact C-N 3.33Å; K268-I270 PolarHBondContact O-N 2.99Å; I270-E272 PolarHBondContact O-N 3.43Å; I270-Q273 PolarHBondContact O-N 2.92Å; I270-E274 HydrophobicContact CG2-CG 4.36Å; I270-E274 WeakPolarHBondContact CG2-OE1 3.5Å; I270-E274 WeakPolarHBondContact O-CG 3.47Å; I270-E274 PolarHBondContact O-N 2.9Å |
| 271 | A | 86.7 | Confident | 77.4 | Confident | 41 Ų | 41 | 112.6 Ų | 112.6 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.2 | -31.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M267 K268 Q275 | M267-A271 PolarHBondContact O-N 3.28Å; K268-A271 PolarHBondContact O-N 3.23Å; A271-Q275 WeakPolarHBondContact O-CG 3.17Å; A271-Q275 PolarHBondContact O-N 3.22Å; A271-Q275 PolarHBondContact O-NE2 3.07Å |
| 272 | E | 80.3 | Confident | 74.4 | Confident | 109 Ų | 109 | 112.2 Ų | 112.2 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.4 | -38.9 | 173.9 | -167.6 | 174 | 155.9 | 0 | 0 | 111.8 | K268 I270 L276 | K268-E272 WeakPolarHBondContact O-CB 3.38Å; K268-E272 PolarHBondContact O-N 2.94Å; I270-E272 PolarHBondContact O-N 3.43Å; E272-L276 PolarHBondContact O-N 2.69Å |
| 273 | Q | 79.6 | Confident | 72.2 | Confident | 133 Ų | 133 | 113.3 Ų | 113.3 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.1 | -36.3 | 176.4 | -176.5 | 171.9 | -12.5 | 0 | 0 | 112.8 | K269 I270 L276 G277 | K269-Q273 WeakPolarHBondContact O-CB 3.31Å; K269-Q273 PolarHBondContact O-N 3.06Å; I270-Q273 PolarHBondContact O-N 2.92Å; Q273-L276 PolarHBondContact O-N 2.93Å; Q273-G277 PolarHBondContact O-N 3.2Å |
| 274 | E | 76.1 | Confident | 69.7 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.5 | -40.1 | 176.6 | -73.8 | 170.2 | 167.3 | 0 | 0 | 111.9 | I270 L276 G277 G278 | I270-E274 HydrophobicContact CG2-CG 4.36Å; I270-E274 WeakPolarHBondContact CG2-OE1 3.5Å; I270-E274 WeakPolarHBondContact O-CG 3.47Å; I270-E274 PolarHBondContact O-N 2.9Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.93Å; E274-G277 PolarHBondContact O-N 3.22Å; E274-G278 PolarHBondContact O-N 3.48Å |
| 275 | Q | 70.5 | Confident | 66.9 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 73% | 0.729 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.8 | -36.8 | 174.3 | -76.3 | 170.1 | 80.7 | 0 | 0 | 112.9 | A271 | A271-Q275 WeakPolarHBondContact O-CG 3.17Å; A271-Q275 PolarHBondContact O-N 3.22Å; A271-Q275 PolarHBondContact O-NE2 3.07Å |
| 276 | L | 64.9 | Low | 64 | Low | 131 Ų | 131 | 125.5 Ų | 125.5 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -78.6 | -27.1 | 176.7 | -73.6 | 162.9 | 0 | 0 | 0 | 113.3 | E272 Q273 E274 | E272-L276 PolarHBondContact O-N 2.69Å; Q273-L276 PolarHBondContact O-N 2.93Å; E274-L276 VanDerWaalsContact C-N 3.35Å; E274-L276 PolarHBondContact O-N 2.93Å |
| 277 | G | 57.7 | Low | 61.2 | Low | 58 Ų | 58 | 123.2 Ų | 123.2 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.8 | -24.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q273 E274 S279 | Q273-G277 PolarHBondContact O-N 3.2Å; E274-G277 PolarHBondContact O-N 3.22Å; G277-S279 VanDerWaalsContact C-N 3.32Å; G277-S279 PolarHBondContact O-N 2.97Å |
| 278 | G | 49.3 | Very low | 58.6 | Low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -19 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E274 | E274-G278 PolarHBondContact O-N 3.48Š|
| 279 | S | 46.1 | Very low | 56.1 | Low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 13.3 | -167.8 | -155.4 | 0 | 0 | 0 | 0 | 115.2 | G277 | G277-S279 VanDerWaalsContact C-N 3.32Å; G277-S279 PolarHBondContact O-N 2.97Å |
| 280 | R | 42.7 | Very low | 53.4 | Low | 236 Ų | 236 | 130.9 Ų | 130.9 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | -121.7 | 63.4 | 177.7 | -73.7 | -168.3 | 175 | -121.7 | 0.3 | 113.8 | ||||
| 281 | R | 44.7 | Very low | 51.2 | Low | 254 Ų | 254 | 135.3 Ų | 135.3 | 96% | 0.958 | 75% | 0.749 | S | S | * | * | trans | -137.6 | 102.1 | 156.1 | -67.3 | -168 | -176.8 | -158.8 | 2.4 | 109.9 | ||||
| 282 | G | 33.3 | Very low | 48.7 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -174.3 | 149.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 283 | P | 49.3 | Very low | 46.6 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -103 | 145.7 | -139.2 | 36.5 | -35.7 | 0 | 0 | 0 | 118 | ||||
| 284 | S | 41.4 | Very low | 44.8 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | 35.1 | 118.6 | 143.3 | -160.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 285 | R | 37.3 | Very low | 42.9 | Very low | 249 Ų | 249 | 143 Ų | 143 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | 174.6 | 148.6 | 118.5 | -99 | 174.4 | 172.1 | -173.7 | -2.2 | 112.6 | |||||
| 286 | G | 32.7 | Very low | 41.1 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | 125.6 | 52.1 | 145 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 287 | G | 32.9 | Very low | 39.7 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | 37.2 | 145.5 | 143.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 288 | R | 33.8 | Very low | 38.4 | Very low | 247 Ų | 247 | 143 Ų | 143 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | -169.2 | 154.9 | 112.5 | -102.8 | 174.7 | -179.8 | -157.5 | -2.2 | 112.2 | |||||
| 289 | Q | 41.3 | Very low | 37.6 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -86.3 | 157.5 | -176.7 | -56.7 | 113.8 | -47.8 | 0 | 0 | 113.4 | ||||
| 290 | S | 35.6 | Very low | 37 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -159.2 | 125 | 138.8 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 291 | N | 38.8 | Very low | 36.6 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -75.2 | 157.6 | 168.8 | -54.8 | -13.8 | 0 | 0 | 0 | 109.7 | ||||
| 292 | D | 33.5 | Very low | 36 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | -159.2 | 168.6 | 120.9 | -146.6 | -145.4 | 0 | 0 | 0 | 110.5 | |||||
| 293 | D | 36.7 | Very low | 36.1 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -115.4 | -168.3 | -153.9 | -133.9 | -65.7 | 0 | 0 | 0 | 114.6 | ||||
| 294 | S | 41.7 | Very low | 35.4 | Very low | 85 Ų | 85 | 142 Ų | 142 | 59% | 0.594 | 82% | 0.816 | S | S | * | * | trans | 97 | 110.8 | 155.6 | -66.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 295 | E | 37.1 | Very low | 34.8 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | 61.9 | 120.6 | 123 | -59.9 | 170.4 | 152 | 0 | 0 | 119.1 | |||||
| 296 | D | 32.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | cis | 93.6 | 138.5 | 38.8 | -164.1 | 35.6 | 0 | 0 | 0 | 115.7 | ||||
| 297 | G | 34.2 | Very low | 34.9 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 86.1 | 130.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 298 | S | 31.5 | Very low | 34.8 | Very low | 107 Ų | 107 | 141.2 Ų | 141.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | cis | 161.3 | 150.7 | -27.8 | 172.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 299 | S | 33.2 | Very low | 34.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 74.5 | 133 | 166.3 | -53.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 300 | T | 33.1 | Very low | 34.6 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | -150.6 | 165.2 | 53.4 | 47.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 301 | H | 33.6 | Very low | 34.7 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -46.5 | 158.9 | 170.2 | -60.3 | -112.3 | 0 | 0 | 0 | 114.8 | ||||
| 302 | G | 31.6 | Very low | 34.7 | Very low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 143.5 | 134.6 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 303 | M | 35.8 | Very low | 35.2 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 100% | 0.995 | 79% | 0.793 | S | S | * | * | trans | -169.3 | 156 | 152.7 | 58.4 | 178.8 | 179.2 | 0 | 0 | 112 | ||||
| 304 | D | 34.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 139 Ų | 139 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | -97.3 | 142.8 | -165.7 | -174.6 | -81.3 | 0 | 0 | 0 | 113.8 | ||||
| 305 | S | 29.7 | Very low | 35.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -172.8 | 113.7 | 141.5 | -86.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 306 | M | 34 | Very low | 35 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 77% | 0.768 | 81% | 0.805 | S | S | * | * | trans | 70.1 | 114.4 | 139.9 | -76.9 | -71 | 179.7 | 0 | 0 | 122.6 | ||||
| 307 | L | 37.9 | Very low | 34.9 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 73.7 | 96.8 | 147.5 | -52.8 | -176.2 | 0 | 0 | 0 | 119.4 | ||||
| 308 | G | 30 | Very low | 34.7 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -116.3 | 150.1 | 160 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 309 | Y | 32.8 | Very low | 35.2 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -140.7 | 110 | 157.4 | -106.9 | -77.8 | 0 | 0 | 0 | 108.6 | ||||
| 310 | P | 37.9 | Very low | 35.1 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -93.8 | 150.7 | 174.8 | 5.3 | 13.7 | 0 | 0 | 0 | 112.3 | ||||
| 311 | S | 39 | Very low | 35.4 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -73.3 | 134.4 | 165.9 | 54.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 312 | L | 38.5 | Very low | 35.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 167.5 | 173.4 | -92.3 | -178.2 | 0 | 0 | 0 | 111.1 | ||||
| 313 | P | 43.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | -128.7 | -177.8 | -125.4 | 44.1 | -30.2 | 0 | 0 | 0 | 116.3 | |||||
| 314 | R | 43.7 | Very low | 35.6 | Very low | 225 Ų | 225 | 146.9 Ų | 146.9 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -44.8 | 135 | 169.3 | 171.4 | -176.1 | 174.8 | 173 | -0.9 | 115.2 | ||||
| 315 | Q | 31.9 | Very low | 35.6 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -135.4 | 172.9 | 155.6 | -80.1 | -152.2 | -19.7 | 0 | 0 | 112.6 | ||||
| 316 | Q | 35.7 | Very low | 35.6 | Very low | 158 Ų | 158 | 149 Ų | 149 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -105.7 | 166.4 | -171.1 | -58.2 | 163.4 | -11.6 | 0 | 0 | 110.8 | ||||
| 317 | L | 30.7 | Very low | 35.4 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 165.9 | 134.6 | 117.6 | -85 | 164.4 | 0 | 0 | 0 | 114.2 | |||||
| 318 | L | 30.5 | Very low | 35.2 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | 58.8 | 153.8 | 140.6 | -63.4 | 175.3 | 0 | 0 | 0 | 124.8 | ||||
| 319 | S | 40.9 | Very low | 36 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -99.3 | 161.3 | -168.6 | -33.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 320 | L | 32.6 | Very low | 36 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | trans | -160 | 141.3 | 146.1 | -103.8 | 147.6 | 0 | 0 | 0 | 109.7 | ||||
| 321 | D | 38.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 149 Ų | 149 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | trans | -129.7 | 138.6 | 173.7 | -157.3 | -40.3 | 0 | 0 | 0 | 105.4 | N323 | D321-N323 PolarHBondContact OD1-N 3.13Å; D321-N323 VanDerWaalsContact OD1-N 3.13Å | ||
| 322 | P | 39.9 | Very low | 35.7 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -146.9 | 138.3 | 108.4 | 34.2 | -16.8 | 0 | 0 | 0 | 116.3 | |||||
| 323 | N | 33.8 | Very low | 35.5 | Very low | 145 Ų | 145 | 147 Ų | 147 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | trans | -9.4 | 164.6 | 148.9 | -92.6 | -73.7 | 0 | 0 | 0 | 122.2 | D321 | D321-N323 PolarHBondContact OD1-N 3.13Å; D321-N323 VanDerWaalsContact OD1-N 3.13Å | ||
| 324 | I | 31.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | trans | 97.5 | 113.2 | 179.6 | -56.1 | -133 | 0 | 0 | 0 | 111.6 | ||||
| 325 | Y | 34.2 | Very low | 34.6 | Very low | 225 Ų | 225 | 146.2 Ų | 146.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | cis | -134 | 165.6 | -4.3 | -97.8 | -80.7 | 0 | 0 | 0 | 108.1 | ||||
| 326 | G | 30.9 | Very low | 35 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | 135.7 | 81.5 | -7.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 327 | G | 29.8 | Very low | 35.4 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 173.7 | 100.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 328 | E | 33.4 | Very low | 35.5 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | trans | -78.9 | -178.7 | 167.4 | -93.5 | -81.8 | 119 | 0 | 0 | 111.6 | F330 | E328-F330 WeakPolarHBondContact OE2-CD2 3.49Å; E328-F330 WeakPolarHBondContact OE2-CE2 3.32Å | ||
| 329 | P | 47.2 | Very low | 35.7 | Very low | 104 Ų | 104 | 143 Ų | 143 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -137.2 | 164.6 | 0.8 | 19.9 | 6.6 | 0 | 0 | 0 | 118.4 | ||||
| 330 | F | 32.9 | Very low | 35.2 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | trans | 38.5 | 124.2 | 145.4 | -76.8 | -99.4 | 0 | 0 | 0 | 124 | E328 H332 | E328-F330 WeakPolarHBondContact OE2-CD2 3.49Å; E328-F330 WeakPolarHBondContact OE2-CE2 3.32Å; F330-H332 AromaticContact CD1-ND1 3.88Å | ||
| 331 | R | 33.3 | Very low | 35.1 | Very low | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -137.8 | 124.1 | 148.1 | -81.1 | -86.8 | 97.6 | 177.2 | 5.8 | 111.2 | ||||
| 332 | H | 36.8 | Very low | 34.9 | Very low | 164 Ų | 164 | 143.7 Ų | 143.7 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | -108.6 | 153.7 | 166.8 | -87.8 | 91 | 0 | 0 | 0 | 110.1 | F330 | F330-H332 AromaticContact CD1-ND1 3.88Š| ||
| 333 | G | 33 | Very low | 34.6 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | 92.2 | 131.2 | 152 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 334 | L | 32 | Very low | 34.6 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -127.1 | 127.7 | 164.3 | -71.1 | 176 | 0 | 0 | 0 | 109.1 | ||||
| 335 | T | 38 | Very low | 34.7 | Very low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 159.1 | 173.2 | 30.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 336 | P | 38.5 | Very low | 34.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -82.8 | 173.2 | -149.1 | -13.7 | 31.6 | 0 | 0 | 0 | 116.3 | ||||
| 337 | P | 45.8 | Very low | 34.4 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -82.1 | 159.1 | -170.1 | 34.7 | -35.8 | 0 | 0 | 0 | 113.9 | ||||
| 338 | Q | 32.4 | Very low | 34.4 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -118.5 | 149.4 | 171.1 | -81.6 | -72.1 | 14.2 | 0 | 0 | 111.4 | ||||
| 339 | L | 34 | Very low | 34.2 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -72.6 | 159.4 | 174 | -105.5 | 89 | 0 | 0 | 0 | 112.1 | ||||
| 340 | N | 30.1 | Very low | 33.4 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -91.6 | 146.7 | 171.6 | 52.4 | -21.1 | 0 | 0 | 0 | 112.1 | ||||
| 341 | S | 31.6 | Very low | 33.3 | Very low | 118 Ų | 118 | 146.3 Ų | 146.3 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -142.5 | 112.4 | 171.8 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 342 | E | 33.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -138.2 | 140.8 | 156 | -72 | -166.8 | 82.1 | 0 | 0 | 104.4 | ||||
| 343 | Q | 34.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | cis | -163.3 | 166.2 | 17 | -130.7 | 166.2 | 22.6 | 0 | 0 | 110.6 | ||||
| 344 | I | 32.9 | Very low | 33.4 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 85.2 | 128.6 | 160.6 | -57.2 | 150.6 | 0 | 0 | 0 | 118.6 | ||||
| 345 | H | 33.6 | Very low | 33.7 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | -106 | 149 | 171.7 | -65.1 | -99.1 | 0 | 0 | 0 | 111.9 | ||||
| 346 | S | 27.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | 162.6 | 134.9 | 122.6 | -76.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 347 | Y | 32.1 | Very low | 33.4 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 22.4 | 124.4 | 131.5 | 159.2 | -91.5 | 0 | 0 | 0 | 117.6 | ||||
| 348 | D | 28.5 | Very low | 33 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 55% | 0.551 | 76% | 0.764 | S | S | * | * | -173.5 | 165.8 | 66.2 | -161.7 | 8.3 | 0 | 0 | 0 | 114.7 | |||||
| 349 | S | 29.2 | Very low | 33.2 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | trans | 47.6 | 127.2 | 141.6 | -75.7 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 350 | E | 30.9 | Very low | 33.1 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | 76.3 | 123.8 | 124.4 | -70 | -155 | 120.3 | 0 | 0 | 125.2 | |||||
| 351 | T | 31.1 | Very low | 33.4 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 70.9 | 157.4 | 146 | 67.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 352 | V | 36.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -143.4 | 160.4 | 22.2 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 353 | F | 31 | Very low | 33.6 | Very low | 169 Ų | 169 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | trans | -39.6 | 160.3 | 162.6 | -71.8 | -102 | 0 | 0 | 0 | 115.8 | ||||
| 354 | H | 36.4 | Very low | 33.5 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -166 | 152.1 | 59.9 | -96.9 | -82.1 | 0 | 0 | 0 | 115.4 | |||||
| 355 | D | 39.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -64.3 | 156.4 | 157.6 | -55 | -100.7 | 0 | 0 | 0 | 113.6 | ||||
| 356 | L | 37.5 | Very low | 33.4 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | -173 | 142.2 | 128.1 | -114.5 | 134 | 0 | 0 | 0 | 114.4 | |||||
| 357 | D | 33.1 | Very low | 33.5 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -69.5 | 150.1 | 169.6 | -87.1 | -60.3 | 0 | 0 | 0 | 113.6 | ||||
| 358 | S | 36.3 | Very low | 33.5 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | 165.2 | 128.6 | 120.3 | -73.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 359 | D | 36.8 | Very low | 33.7 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 25.2 | 140.4 | 143.7 | -138.1 | -20.6 | 0 | 0 | 0 | 122.8 | ||||
| 360 | G | 32 | Very low | 33.9 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 171.2 | 59.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 361 | S | 36.3 | Very low | 33.9 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -26.3 | 160.4 | 174.4 | -160.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 362 | L | 34.7 | Very low | 33.9 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | 82.8 | 133.7 | 165.2 | -52.9 | -177.1 | 0 | 0 | 0 | 117.4 | ||||
| 363 | S | 35.9 | Very low | 33.6 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | cis | -164.9 | 174.1 | 1 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 364 | H | 30.8 | Very low | 33.6 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 73% | 0.731 | 81% | 0.809 | S | S | * | * | trans | 120.2 | 81.3 | 149.7 | -160.4 | -76.7 | 0 | 0 | 0 | 119.5 | ||||
| 365 | L | 32.8 | Very low | 33.3 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | trans | 58.1 | 131.1 | 138.5 | -50.3 | -177.3 | 0 | 0 | 0 | 121.4 | ||||
| 366 | G | 31.6 | Very low | 32.9 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 168.4 | 1.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 367 | D | 31.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -59.4 | 163.2 | 176.6 | -74.1 | -47.6 | 0 | 0 | 0 | 113.9 | ||||
| 368 | C | 31.3 | Very low | 32.7 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | cis | -160 | 179.1 | 7.2 | -136.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 369 | L | 32.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 128.6 Ų | 128.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -106 | 144.2 | 169.9 | -77.3 | 166.2 | 0 | 0 | 0 | 113.1 | ||||
| 370 | L | 34.6 | Very low | 32.2 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 39.9 | 122.2 | 146.4 | -57.4 | 172.4 | 0 | 0 | 0 | 121.2 | ||||
| 371 | A | 30.8 | Very low | 32.3 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 82% | 0.816 | S | S | * | * | 171.6 | 137.8 | 103.5 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 372 | T | 30.9 | Very low | 32.2 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | trans | 54.3 | 128.3 | 148.4 | 52.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 373 | G | 30 | Very low | 32 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 172.4 | 140.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 374 | E | 31 | Very low | 32.2 | Very low | 196 Ų | 196 | 132 Ų | 132 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -91.9 | 163.8 | -165 | -67.5 | -173.9 | 105.8 | 0 | 0 | 117.5 | ||||
| 375 | A | 30.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | 76.7 | 123.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 376 | G | 29 | Very low | 32.9 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 137.7 | 94.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 377 | L | 32.2 | Very low | 33 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | 72 | 111.4 | 142.7 | -58.9 | 172.2 | 0 | 0 | 0 | 123.1 | ||||
| 378 | L | 35.3 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 67.2 | 141.5 | 133.4 | -54.6 | -179.7 | 0 | 0 | 0 | 120.6 | ||||
| 379 | A | 32.3 | Very low | 33.6 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | cis | -165.9 | 153.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 380 | G | 30.1 | Very low | 33.6 | Very low | 75 Ų | 75 | 141.5 Ų | 141.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | 77.9 | 151.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 381 | R | 33.4 | Very low | 33.7 | Very low | 243 Ų | 243 | 138.5 Ų | 138.5 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | cis | -159.3 | 157.9 | -4.8 | -76.5 | -176.3 | 176.5 | 177.8 | -1.6 | 105.9 | ||||
| 382 | V | 35.1 | Very low | 33.7 | Very low | 142 Ų | 142 | 141.6 Ų | 141.6 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | cis | -162.3 | 151.5 | -7.8 | 126.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 383 | G | 30.8 | Very low | 33.9 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -177.7 | 132.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 384 | N | 39.1 | Very low | 34.1 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 129.6 | -169.9 | -162.8 | 36.1 | 0 | 0 | 0 | 113.3 | ||||
| 385 | P | 37.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -100.9 | 110 | 175.8 | 34.6 | -28.2 | 0 | 0 | 0 | 112.9 | ||||
| 386 | I | 41.4 | Very low | 34.5 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -92.4 | 101.8 | 156.4 | -63.3 | 174 | 0 | 0 | 0 | 106.8 | ||||
| 387 | D | 33.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -161.2 | 104.4 | 151.5 | -124.6 | -34.1 | 0 | 0 | 0 | 112.1 | ||||
| 388 | R | 41.3 | Very low | 35.1 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -144.1 | 89.8 | 161 | -82.2 | -163.3 | 176.3 | 174.2 | -0.1 | 109.5 | ||||
| 389 | L | 33.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | trans | 10.6 | 119.6 | 140 | -65.1 | 164.9 | 0 | 0 | 0 | 115.9 | ||||
| 390 | Y | 32.8 | Very low | 35.6 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -126.2 | 113.9 | 138 | -106.5 | -84.3 | 0 | 0 | 0 | 110.4 | ||||
| 391 | S | 35.9 | Very low | 35.9 | Very low | 96 Ų | 96 | 157.8 Ų | 157.8 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | trans | -83 | 159.4 | 168.1 | -172.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 392 | M | 31.9 | Very low | 36 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -18.2 | 125 | 166.8 | -69.4 | -81.8 | -71.8 | 0 | 0 | 116 | ||||
| 393 | Q | 33.8 | Very low | 36.1 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -120.9 | 108.6 | 154.3 | -76.7 | -173.9 | -14.2 | 0 | 0 | 109.9 | ||||
| 394 | N | 35.3 | Very low | 36.4 | Very low | 139 Ų | 139 | 159 Ų | 159 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -81 | 136.2 | 157.1 | -82.2 | -13.4 | 0 | 0 | 0 | 108.6 | ||||
| 395 | S | 33.9 | Very low | 36.2 | Very low | 98 Ų | 98 | 159.4 Ų | 159.4 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | 160.8 | 157.4 | 134.9 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 396 | Y | 35.6 | Very low | 36.1 | Very low | 200 Ų | 200 | 162.6 Ų | 162.6 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | trans | 69.8 | 117.2 | -177.4 | -57.2 | -87 | 0 | 0 | 0 | 114.2 | ||||
| 397 | F | 36.5 | Very low | 35.7 | Very low | 212 Ų | 212 | 163.1 Ų | 163.1 | 93% | 0.93 | 82% | 0.824 | S | S | * | * | cis | -108.1 | 155.1 | 31.9 | -91.3 | -102.8 | 0 | 0 | 0 | 117 | ||||
| 398 | T | 38.5 | Very low | 35.9 | Very low | 109 Ų | 109 | 164.3 Ų | 164.3 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | -115.4 | 136.3 | 177.6 | -29.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 399 | S | 41.7 | Very low | 35.4 | Very low | 198 Ų | 198 | 157.5 Ų | 157.5 | 100% | 1.385 | 82% | 0.819 | S | S | * | * | trans | 175.3 | 0 | 138.9 | -74.3 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 399 of 399 residues in 205.6 ms
(Link to these results)