| 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 | 35 | Very low | 29.8 | Very low | 237 Ų | 237 | 167.2 Ų | 167.2 | 100% | 1.167 | 84% | 0.841 | S | S | * | * | 0 | 107.4 | 0 | -119.1 | 172.5 | -177.7 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 2.74Š| |||
| 2 | Y | 31.5 | Very low | 29.7 | Very low | 245 Ų | 245 | 165.7 Ų | 165.7 | 96% | 0.961 | 83% | 0.834 | S | S | * | * | trans | -66.7 | 109.8 | -176.9 | -84.6 | -98 | 0 | 0 | 0 | 110 | ||||
| 3 | L | 32.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 157.8 Ų | 157.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -100.7 | 94.6 | 175.4 | -96.1 | 155.1 | 0 | 0 | 0 | 109.9 | M1 L5 | M1-L3 PolarHBondContact O-N 2.74Å; L3-L5 PolarHBondContact O-N 2.82Å | ||
| 4 | V | 32.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 161.8 Ų | 161.8 | 62% | 0.624 | 83% | 0.829 | S | S | * | * | trans | 37 | 80.4 | 136.3 | -165.7 | 0 | 0 | 0 | 0 | 116.2 | Q6 | V4-Q6 VanDerWaalsContact C-N 3.34Å; V4-Q6 HydrophobicContact CG1-CB 3.99Å; V4-Q6 HydrophobicContact CG1-CG 3.73Å; V4-Q6 PolarHBondContact O-N 3.2Å | ||
| 5 | L | 32.2 | Very low | 29.6 | Very low | 181 Ų | 181 | 166.6 Ų | 166.6 | 95% | 0.948 | 83% | 0.833 | S | S | * | * | trans | -85.4 | 86.4 | 148.6 | -83.5 | 163.7 | 0 | 0 | 0 | 107.3 | L3 S7 | L3-L5 PolarHBondContact O-N 2.82Å; L5-S7 PolarHBondContact O-N 3.09Å | ||
| 6 | Q | 30.4 | Very low | 29.6 | Very low | 173 Ų | 173 | 161.5 Ų | 161.5 | 81% | 0.808 | 84% | 0.835 | S | S | * | * | trans | -66 | 116.5 | 174 | -114.1 | 175.1 | -10.4 | 0 | 0 | 109.4 | V4 C8 | V4-Q6 VanDerWaalsContact C-N 3.34Å; V4-Q6 HydrophobicContact CG1-CB 3.99Å; V4-Q6 HydrophobicContact CG1-CG 3.73Å; V4-Q6 PolarHBondContact O-N 3.2Å; Q6-C8 PolarHBondContact O-N 2.65Å; Q6-C8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | S | 26.2 | Very low | 29.5 | Very low | 98 Ų | 98 | 157.9 Ų | 157.9 | 69% | 0.685 | 83% | 0.827 | S | S | * | * | trans | -59.5 | 100.6 | 173.3 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | L5 Q9 | L5-S7 PolarHBondContact O-N 3.09Å; S7-Q9 VanDerWaalsContact C-N 3.3Å; S7-Q9 PolarHBondContact O-N 2.89Å | ||
| 8 | C | 26.1 | Very low | 29.5 | Very low | 122 Ų | 122 | 157.9 Ų | 157.9 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -83.4 | 82.3 | 154 | -92.1 | 0 | 0 | 0 | 0 | 108.4 | Q6 T10 | Q6-C8 PolarHBondContact O-N 2.65Å; Q6-C8 VanDerWaalsContact O-N 3.13Å; C8-T10 VanDerWaalsContact C-N 3.26Å; C8-T10 PolarHBondContact O-N 3.49Å | ||
| 9 | Q | 27.6 | Very low | 29.4 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -72.8 | 83.2 | 163.8 | -79 | -176.2 | -15.3 | 0 | 0 | 108.7 | S7 R11 | S7-Q9 VanDerWaalsContact C-N 3.3Å; S7-Q9 PolarHBondContact O-N 2.89Å; Q9-R11 PolarHBondContact O-N 3.05Å | ||
| 10 | T | 26.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -74 | 98 | 166.6 | -36.7 | 0 | 0 | 0 | 0 | 107.2 | C8 I12 | C8-T10 VanDerWaalsContact C-N 3.26Å; C8-T10 PolarHBondContact O-N 3.49Å; T10-I12 PolarHBondContact O-N 3.41Å | ||
| 11 | R | 26.8 | Very low | 29 | Very low | 235 Ų | 235 | 155.5 Ų | 155.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -57.6 | 94.9 | 172.2 | -76 | -178.8 | 174.3 | -173.4 | -1.8 | 109.3 | Q9 G13 | Q9-R11 PolarHBondContact O-N 3.05Å; R11-G13 VanDerWaalsContact C-N 3.35Å; R11-G13 PolarHBondContact O-N 3.01Å | ||
| 12 | I | 29.2 | Very low | 28.4 | Very low | 149 Ų | 149 | 154.7 Ų | 154.7 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 96.8 | 165.3 | -62.7 | 172.4 | 0 | 0 | 0 | 106.1 | T10 F14 | T10-I12 PolarHBondContact O-N 3.41Å; I12-F14 PolarHBondContact O-N 3Å | ||
| 13 | G | 29 | Very low | 28.1 | Very low | 64 Ų | 64 | 154.3 Ų | 154.3 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | -63.8 | 114 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R11 R15 | R11-G13 VanDerWaalsContact C-N 3.35Å; R11-G13 PolarHBondContact O-N 3.01Å; G13-R15 PolarHBondContact O-N 2.69Å | ||
| 14 | F | 27.8 | Very low | 27.9 | Very low | 213 Ų | 213 | 154.3 Ų | 154.3 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | trans | -65.5 | 81.7 | 164.1 | -85.3 | -96.3 | 0 | 0 | 0 | 109.1 | I12 | I12-F14 PolarHBondContact O-N 3Š| ||
| 15 | R | 30.9 | Very low | 27.7 | Very low | 234 Ų | 234 | 153.9 Ų | 153.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -86.9 | 111.5 | 157 | -89.4 | -171.9 | 172.3 | -172.4 | -1.7 | 106.9 | G13 S17 | G13-R15 PolarHBondContact O-N 2.69Å; R15-S17 VanDerWaalsContact C-N 3.28Å; R15-S17 PolarHBondContact O-N 3.3Å | ||
| 16 | G | 29.3 | Very low | 27.6 | Very low | 85 Ų | 85 | 151 Ų | 151 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | trans | -60.5 | 87.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | S | 28.5 | Very low | 27.6 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -93.2 | 112.9 | 158 | -72.2 | 0 | 0 | 0 | 0 | 106.2 | R15 T19 | R15-S17 VanDerWaalsContact C-N 3.28Å; R15-S17 PolarHBondContact O-N 3.3Å; S17-T19 VanDerWaalsContact C-N 3.27Å; S17-T19 PolarHBondContact O-N 3.12Å | ||
| 18 | I | 28.7 | Very low | 28.2 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -59 | 96.1 | 168.1 | -65.8 | 166.6 | 0 | 0 | 0 | 106 | I20 | I18-I20 VanDerWaalsContact C-N 3.25Å; I18-I20 HydrophobicContact CG2-CG1 4.01Å; I18-I20 PolarHBondContact O-N 3.19Å | ||
| 19 | T | 28.3 | Very low | 28.7 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | trans | -70.2 | 91.7 | 171.8 | -51.7 | 0 | 0 | 0 | 0 | 106.5 | S17 F21 | S17-T19 VanDerWaalsContact C-N 3.27Å; S17-T19 PolarHBondContact O-N 3.12Å; T19-F21 VanDerWaalsContact C-N 3.29Å; T19-F21 HydrophobicContact CG2-CD2 4.23Å; T19-F21 HydrophobicContact CG2-CE2 4.14Å; T19-F21 PolarHBondContact O-N 3.18Å | ||
| 20 | I | 25.7 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | trans | -62.8 | 98.1 | 168 | -62.1 | 175.6 | 0 | 0 | 0 | 105.8 | I18 R22 | I18-I20 VanDerWaalsContact C-N 3.25Å; I18-I20 HydrophobicContact CG2-CG1 4.01Å; I18-I20 PolarHBondContact O-N 3.19Å; I20-R22 HydrophobicContact CG2-CG 4.11Å; I20-R22 PolarHBondContact O-N 3.33Å | ||
| 21 | F | 24 | Very low | 30.4 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 83% | 0.829 | 69% | 0.691 | S | S | * | * | trans | -66.5 | 82.9 | 164 | -86.9 | -87.7 | 0 | 0 | 0 | 107.3 | T19 R23 | T19-F21 VanDerWaalsContact C-N 3.29Å; T19-F21 HydrophobicContact CG2-CD2 4.23Å; T19-F21 HydrophobicContact CG2-CE2 4.14Å; T19-F21 PolarHBondContact O-N 3.18Å; F21-R23 PolarHBondContact O-N 3.2Å | ||
| 22 | R | 22.8 | Very low | 31.5 | Very low | 219 Ų | 219 | 133.9 Ų | 133.9 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | trans | -62.6 | 109 | 156.9 | -87.5 | -174.8 | 174.3 | -176.1 | -1.7 | 105.1 | I20 L24 | I20-R22 HydrophobicContact CG2-CG 4.11Å; I20-R22 PolarHBondContact O-N 3.33Å; R22-L24 VanDerWaalsContact C-N 3.28Å; R22-L24 PolarHBondContact O-N 3.45Å | ||
| 23 | R | 24.5 | Very low | 33 | Very low | 237 Ų | 237 | 133.6 Ų | 133.6 | 89% | 0.894 | 69% | 0.685 | S | S | * | * | trans | -53 | 102.8 | 165 | -146.1 | 179 | -168.3 | -171.4 | 2.6 | 104.8 | F21 S25 | F21-R23 PolarHBondContact O-N 3.2Å; R23-S25 PolarHBondContact O-N 2.95Å | ||
| 24 | L | 27.4 | Very low | 35.1 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -65.7 | 84.1 | 164.1 | -75.6 | 162.9 | 0 | 0 | 0 | 103.7 | R22 T26 | R22-L24 VanDerWaalsContact C-N 3.28Å; R22-L24 PolarHBondContact O-N 3.45Å; L24-T26 PolarHBondContact O-N 2.92Å | ||
| 25 | S | 29.2 | Very low | 38.1 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | trans | -58.1 | 102.3 | 154.2 | 51.9 | 0 | 0 | 0 | 0 | 103.2 | R23 P27 | R23-S25 PolarHBondContact O-N 2.95Å; S25-P27 VanDerWaalsContact C-N 3.3Å; S25-P27 WeakPolarHBondContact O-CD 3.3Å | ||
| 26 | T | 29.6 | Very low | 41 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | trans | -50.4 | 108.2 | 160.4 | 38.3 | 0 | 0 | 0 | 0 | 103.8 | L24 V28 | L24-T26 PolarHBondContact O-N 2.92Å; T26-V28 PolarHBondContact O-N 3.43Å; T26-V28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | P | 30.3 | Very low | 44.1 | Very low | 101 Ų | 101 | 114 Ų | 114 | 66% | 0.656 | 56% | 0.561 | S | S | * | * | trans | -56.3 | 129.6 | 170.3 | -0.6 | 14.2 | 0 | 0 | 0 | 103.1 | S25 C29 | S25-P27 VanDerWaalsContact C-N 3.3Å; S25-P27 WeakPolarHBondContact O-CD 3.3Å; P27-C29 WeakPolarHBondContact O-CB 3.45Å; P27-C29 PolarHBondContact O-N 3.45Å | ||
| 28 | V | 39.9 | Very low | 47.2 | Very low | 31 Ų | 31 | 110.6 Ų | 110.6 | 19% | 0.188 | 54% | 0.535 | C | S | . | . | trans | -59.8 | 91.8 | 163.4 | 178.1 | 0 | 0 | 0 | 0 | 103.4 | T26 F30 | T26-V28 PolarHBondContact O-N 3.43Å; T26-V28 VanDerWaalsContact O-N 3.11Å; V28-F30 VanDerWaalsContact C-N 3.28Å; V28-F30 PolarHBondContact O-N 3.02Å | ||
| 29 | C | 35.8 | Very low | 50.1 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 53% | 0.534 | 51% | 0.514 | S | S | . | . | trans | -83.2 | 88.8 | -164.6 | -167 | 0 | 0 | 0 | 0 | 103.6 | P27 H31 | P27-C29 WeakPolarHBondContact O-CB 3.45Å; P27-C29 PolarHBondContact O-N 3.45Å; C29-H31 PolarHBondContact O-N 3.31Å | ||
| 30 | F | 42.6 | Very low | 52.8 | Low | 27 Ų | 27 | 105.2 Ų | 105.2 | 12% | 0.118 | 50% | 0.5 | C | S | . | . | trans | -57.2 | 98.3 | 151.1 | -86.8 | -86.1 | 0 | 0 | 0 | 105.1 | V28 R32 Y35 C414 D416 | V28-F30 VanDerWaalsContact C-N 3.28Å; V28-F30 PolarHBondContact O-N 3.02Å; F30-R32 PolarHBondContact O-N 3.19Å; F30-Y35 HydrophobicContact CB-CE2 3.87Å; F30-Y35 AromaticContact CD1-CE2 3.93Å; F30-Y35 HydrophobicContact CD1-CE2 3.93Å; F30-Y35 AromaticContact CD1-CZ 3.74Å; F30-Y35 WeakPolarHBondContact CD1-OH 3.49Å; F30-Y35 VanDerWaalsContact CE1-OH 3.29Å; F30-Y35 WeakPolarHBondContact CE1-OH 3.18Å; F30-Y35 HydrophobicContact CG-CE2 4.12Å; F30-C414 WeakPolarHBondContact CE1-SG 3.37Å; F30-C414 WeakPolarHBondContact CZ-SG 3.5Å; F30-D416 WeakPolarHBondContact CE2-OD1 3.43Å; F30-D416 WeakPolarHBondContact CZ-OD1 3.36Å | ||
| 31 | H | 48.7 | Very low | 55.7 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | trans | -50.6 | 133.4 | 174.4 | -88.1 | -107.5 | 0 | 0 | 0 | 106.4 | C29 E33 F34 | C29-H31 PolarHBondContact O-N 3.31Å; H31-E33 HydrophobicContact CB-CB 3.82Å; H31-E33 HydrophobicContact CB-CG 4.13Å; H31-E33 IonicContact CE1-OE1 3.47Å; H31-E33 IonicContact ND1-OE1 2.7Å; H31-E33 PolarHBondContact ND1-OE1 3.1Å; H31-E33 IonicContact ND1-OE2 3.44Å; H31-E33 PolarHBondContact O-N 3.42Å; H31-F34 HydrophobicContact CB-CD2 4.22Å; H31-F34 PolarHBondContact O-N 3.19Å | ||
| 32 | R | 49 | Very low | 58.5 | Low | 229 Ų | 229 | 99.4 Ų | 99.4 | 86% | 0.864 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -21.3 | 164.6 | -94.9 | 178.4 | 154.8 | -168.3 | -6 | 112.1 | F30 F34 Y35 | F30-R32 PolarHBondContact O-N 3.19Å; R32-F34 VanDerWaalsContact C-N 3.31Å; R32-F34 PolarHBondContact O-N 3.01Å; R32-Y35 PolarHBondContact O-N 3.41Å |
| 33 | E | 62.1 | Low | 61.7 | Low | 142 Ų | 142 | 95.9 Ų | 95.9 | 66% | 0.664 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.5 | 173 | -59.7 | 166.9 | -148.4 | 0 | 0 | 113.9 | H31 | H31-E33 HydrophobicContact CB-CB 3.82Å; H31-E33 HydrophobicContact CB-CG 4.13Å; H31-E33 IonicContact CE1-OE1 3.47Å; H31-E33 IonicContact ND1-OE1 2.7Å; H31-E33 PolarHBondContact ND1-OE1 3.1Å; H31-E33 IonicContact ND1-OE2 3.44Å; H31-E33 PolarHBondContact O-N 3.42Å |
| 34 | F | 73 | Confident | 64.9 | Low | 38 Ų | 38 | 86 Ų | 86 | 17% | 0.167 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -39.2 | 178.1 | -84.5 | -75.1 | 0 | 0 | 0 | 112.4 | H31 R32 W36 G350 | H31-F34 HydrophobicContact CB-CD2 4.22Å; H31-F34 PolarHBondContact O-N 3.19Å; R32-F34 VanDerWaalsContact C-N 3.31Å; R32-F34 PolarHBondContact O-N 3.01Å; F34-W36 VanDerWaalsContact C-N 3.28Å; F34-W36 VanDerWaalsContact O-CD1 3.24Å; F34-W36 PolarHBondContact O-N 3.41Å; F34-G350 WeakPolarHBondContact O-CA 3.37Å |
| 35 | Y | 89.8 | Confident | 68.1 | Low | 17 Ų | 17 | 84.6 Ų | 84.6 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 47.8 | -175.8 | -54.9 | -59.6 | 0 | 0 | 0 | 112 | F30 R32 N37 D38 R61 E346 G350 D352 | F30-Y35 HydrophobicContact CB-CE2 3.87Å; F30-Y35 AromaticContact CD1-CE2 3.93Å; F30-Y35 HydrophobicContact CD1-CE2 3.93Å; F30-Y35 AromaticContact CD1-CZ 3.74Å; F30-Y35 WeakPolarHBondContact CD1-OH 3.49Å; F30-Y35 VanDerWaalsContact CE1-OH 3.29Å; F30-Y35 WeakPolarHBondContact CE1-OH 3.18Å; F30-Y35 HydrophobicContact CG-CE2 4.12Å; R32-Y35 PolarHBondContact O-N 3.41Å; Y35-N37 PolarHBondContact O-N 2.97Å; Y35-D38 PolarHBondContact O-N 3.04Å; Y35-R61 PolarHBondContact OH-NH2 3.11Å; Y35-R61 VanDerWaalsContact OH-NH2 3.11Å; Y35-E346 HydrophobicContact CE1-CB 4.05Å; Y35-E346 PolarHBondContact OH-OE2 3.38Å; Y35-G350 CarbonylContact C-O 3.48Å; Y35-G350 WeakPolarHBondContact CA-O 2.93Å; Y35-D352 HydrophobicContact CD1-CB 3.55Å; Y35-D352 HydrophobicContact CD2-CB 4.41Å; Y35-D352 HydrophobicContact CE1-CB 3.68Å; Y35-D352 HydrophobicContact CG-CB 3.93Å |
| 36 | W | 91.2 | Very high | 71.3 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 43% | 0.428 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.5 | -173.8 | 55.7 | -93.5 | 0 | 0 | 0 | 114 | F34 T349 G350 P374 N376 | F34-W36 VanDerWaalsContact C-N 3.28Å; F34-W36 VanDerWaalsContact O-CD1 3.24Å; F34-W36 PolarHBondContact O-N 3.41Å; W36-T349 WeakPolarHBondContact CZ2-O 3.43Å; W36-G350 PolarHBondContact N-O 3.15Å; W36-P374 HydrophobicContact CH2-CG 3.58Å; W36-P374 HydrophobicContact CZ2-CG 4.46Å; W36-P374 HydrophobicContact CZ3-CG 4.41Å; W36-N376 HydrophobicContact CZ2-CB 4.07Å |
| 37 | N | 94.5 | Very high | 74.6 | Confident | 18 Ų | 18 | 78.9 Ų | 78.9 | 10% | 0.096 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 2.2 | 179.9 | -154 | 15.6 | 0 | 0 | 0 | 113.2 | Y35 R39 T349 G350 V351 D372 | Y35-N37 PolarHBondContact O-N 2.97Å; N37-R39 PolarHBondContact O-N 3.2Å; N37-R39 VanDerWaalsContact O-N 3.15Å; N37-T349 WeakPolarHBondContact CB-O 3.43Å; N37-T349 PolarHBondContact ND2-O 3.06Å; N37-G350 CarbonylContact C-O 3.55Å; N37-G350 PolarHBondContact N-O 2.87Å; N37-V351 HydrophobicContact CB-CG2 4.25Å; N37-D372 PolarHBondContact ND2-O 3.22Å |
| 38 | D | 93.3 | Very high | 77.8 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | trans | -79.5 | 102.1 | -175 | -172.2 | 47 | 0 | 0 | 0 | 110.3 | Y35 G350 D352 H355 Q356 | Y35-D38 PolarHBondContact O-N 3.04Å; D38-G350 PolarHBondContact N-O 3.19Å; D38-D352 HydrophobicContact CB-CB 4.44Å; D38-D352 PolarHBondContact OD1-N 3.34Å; D38-D352 WeakPolarHBondContact OD2-CB 3.3Å; D38-H355 IonicContact OD1-ND1 2.63Å; D38-H355 IonicContact OD2-CE1 3.03Å; D38-H355 IonicContact OD2-CG 3.03Å; D38-H355 IonicContact OD2-ND1 3.8Å; D38-H355 PolarHBondContact OD2-ND1 3.28Å; D38-Q356 PolarHBondContact OD1-NE2 2.69Å | ||
| 39 | R | 91.1 | Very high | 80.6 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 36% | 0.362 | 37% | 0.374 | S | S | . | . | trans | -85.5 | 132.6 | -176.2 | -65.1 | -176.7 | -175.7 | 169.2 | 3.7 | 111.3 | N37 Q356 M367 L368 D372 | N37-R39 PolarHBondContact O-N 3.2Å; N37-R39 VanDerWaalsContact O-N 3.15Å; R39-Q356 PolarHBondContact O-NE2 3.29Å; R39-Q356 VanDerWaalsContact O-NE2 3.12Å; R39-M367 HydrophobicContact CB-CB 3.76Å; R39-M367 HydrophobicContact CB-SD 4.26Å; R39-M367 VanDerWaalsContact CD-O 3.32Å; R39-M367 WeakPolarHBondContact CD-O 3.49Å; R39-M367 PolarHBondContact NH1-O 3.08Å; R39-L368 HydrophobicContact CG-CD2 3.88Å; R39-L368 HydrophobicContact CG-CG 4.31Å; R39-D372 IonicContact CZ-OD1 2.69Å; R39-D372 IonicContact CZ-OD2 3.77Å; R39-D372 IonicContact NH1-OD1 3.48Å; R39-D372 PolarHBondContact NH1-OD1 3.2Å; R39-D372 IonicContact NH1-OD2 3.22Å; R39-D372 PolarHBondContact NH1-OD2 3.19Å; R39-D372 VanDerWaalsContact NH1-OD2 3.08Å; R39-D372 IonicContact NH2-OD1 3.67Å; R39-D372 PolarHBondContact NH2-OD1 2.85Å; R39-D372 IonicContact NH2-OD2 3.41Å | ||
| 40 | C | 83.5 | Confident | 83.6 | Confident | 53 Ų | 53 | 75.5 Ų | 75.5 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | trans | -149.6 | 155.2 | 165.1 | 72 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 41 | D | 87.7 | Confident | 86.3 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | trans | -95.6 | 126.6 | 165.2 | 176.3 | 3.6 | 0 | 0 | 0 | 109 | N43 E44 M367 | D41-N43 PolarHBondContact O-N 3.36Å; D41-N43 WeakPolarHBondContact OD1-CB 3.41Å; D41-N43 PolarHBondContact OD1-N 3.04Å; D41-N43 PolarHBondContact OD1-ND2 2.84Å; D41-E44 HydrophobicContact CB-CG 3.97Å; D41-E44 WeakPolarHBondContact O-CB 3.47Å; D41-E44 PolarHBondContact O-N 3.4Å; D41-E44 VanDerWaalsContact O-N 3.09Å; D41-M367 HydrophobicContact CB-CE 3.71Å | ||
| 42 | N | 83.4 | Confident | 88.7 | Confident | 127 Ų | 127 | 70 Ų | 70 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.2 | -179.8 | -70.9 | -52.6 | 0 | 0 | 0 | 113.2 | ||
| 43 | N | 88.8 | Confident | 91 | Very high | 144 Ų | 144 | 59.3 Ų | 59.3 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.6 | 177 | -54.8 | -57.8 | 0 | 0 | 0 | 113 | D41 E45 | D41-N43 PolarHBondContact O-N 3.36Å; D41-N43 WeakPolarHBondContact OD1-CB 3.41Å; D41-N43 PolarHBondContact OD1-N 3.04Å; D41-N43 PolarHBondContact OD1-ND2 2.84Å; N43-E45 PolarHBondContact O-N 3.48Å |
| 44 | E | 92.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -59.6 | 135.6 | 175.5 | -84.1 | 173.4 | 169.1 | 0 | 0 | 110.8 | D41 K46 R359 H364 M367 | D41-E44 HydrophobicContact CB-CG 3.97Å; D41-E44 WeakPolarHBondContact O-CB 3.47Å; D41-E44 PolarHBondContact O-N 3.4Å; D41-E44 VanDerWaalsContact O-N 3.09Å; E44-K46 PolarHBondContact O-N 3.23Å; E44-R359 IonicContact OE1-CZ 2.82Å; E44-R359 IonicContact OE1-NE 2.89Å; E44-R359 IonicContact OE1-NH2 3.7Å; E44-R359 PolarHBondContact OE1-NH2 2.9Å; E44-R359 IonicContact OE2-CZ 3.17Å; E44-R359 IonicContact OE2-NE 2.72Å; E44-R359 PolarHBondContact OE2-NE 3.29Å; E44-R359 IonicContact OE2-NH2 2.66Å; E44-R359 PolarHBondContact OE2-NH2 3.19Å; E44-H364 IonicContact OE1-CG 3.42Å; E44-H364 IonicContact OE2-CD2 2.6Å; E44-M367 WeakPolarHBondContact OE1-CE 3.37Å |
| 45 | E | 95.2 | Very high | 93.9 | Very high | 132 Ų | 132 | 53 Ų | 53 | 62% | 0.617 | 25% | 0.253 | S | S | * | . | trans | -59.8 | 140.1 | 171.2 | -160.4 | -166 | 157.7 | 0 | 0 | 109.4 | N43 K362 H364 | N43-E45 PolarHBondContact O-N 3.48Å; E45-K362 WeakPolarHBondContact O-CG 3.48Å; E45-K362 VanDerWaalsContact OE1-CE 3.32Å; E45-K362 WeakPolarHBondContact OE1-CE 3.41Å; E45-K362 IonicContact OE1-NZ 2.98Å; E45-K362 PolarHBondContact OE1-NZ 3.15Å; E45-K362 WeakPolarHBondContact OE2-CE 3.35Å; E45-K362 IonicContact OE2-NZ 3.58Å; E45-H364 PolarHBondContact O-NE2 3.44Å | ||
| 46 | K | 96.1 | Very high | 94.2 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | trans | -118.1 | 163.2 | -179.4 | -63.8 | 173 | -175.8 | 173.5 | 0 | 110.1 | E44 L69 I71 | E44-K46 PolarHBondContact O-N 3.23Å; K46-L69 WeakPolarHBondContact CD-O 3.19Å; K46-L69 PolarHBondContact NZ-O 3.35Å; K46-I71 HydrophobicContact CB-CG1 4.45Å | ||
| 47 | F | 98.3 | Very high | 94.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | -67.8 | 141.6 | 164.1 | -64.2 | -70.6 | 0 | 0 | 0 | 109.7 | V50 I71 Q121 A122 V146 L148 L358 K362 | F47-V50 HydrophobicContact CB-CG2 3.84Å; F47-V50 HydrophobicContact CD2-CG2 4.25Å; F47-V50 HydrophobicContact CG-CG2 4.18Å; F47-I71 HydrophobicContact CB-CG2 4.21Å; F47-I71 WeakPolarHBondContact O-CG1 3.47Å; F47-I71 WeakPolarHBondContact O-CG2 3.23Å; F47-Q121 HydrophobicContact CD1-CB 3.91Å; F47-A122 HydrophobicContact CD1-CB 3.92Å; F47-A122 HydrophobicContact CD2-CB 4.33Å; F47-A122 HydrophobicContact CE1-CB 3.73Å; F47-A122 HydrophobicContact CE2-CB 4.14Å; F47-A122 HydrophobicContact CG-CB 4.22Å; F47-A122 HydrophobicContact CZ-CB 3.83Å; F47-V146 HydrophobicContact CE1-CB 4.23Å; F47-V146 HydrophobicContact CE1-CG2 4.06Å; F47-V146 HydrophobicContact CZ-CB 4.09Å; F47-V146 HydrophobicContact CZ-CG1 4.17Å; F47-V146 HydrophobicContact CZ-CG2 4.15Å; F47-L148 HydrophobicContact CE2-CD2 3.76Å; F47-L148 HydrophobicContact CZ-CD2 4.14Å; F47-L358 HydrophobicContact CD2-CD2 4.27Å; F47-L358 WeakPolarHBondContact CE2-O 3.4Å; F47-K362 HydrophobicContact CD1-CD 4.07Å; F47-K362 HydrophobicContact CD2-CB 4.4Å; F47-K362 HydrophobicContact CE1-CD 3.82Å; F47-K362 HydrophobicContact CE2-CB 3.76Å; F47-K362 HydrophobicContact CE2-CD 4.37Å; F47-K362 HydrophobicContact CG-CD 4.45Å; F47-K362 HydrophobicContact CZ-CB 3.86Å; F47-K362 HydrophobicContact CZ-CD 4Å | ||
| 48 | E | 98.1 | Very high | 94.6 | Very high | 118 Ų | 118 | 47.3 Ų | 47.3 | 55% | 0.551 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -80.3 | -31.6 | 171.9 | -64.6 | -176.7 | -161.3 | 0 | 0 | 112.1 | R72 | E48-R72 VanDerWaalsContact O-CB 3.3Å; E48-R72 WeakPolarHBondContact O-CB 3.43Å; E48-R72 PolarHBondContact O-N 3.39Å; E48-R72 VanDerWaalsContact O-N 3.08Å; E48-R72 PolarHBondContact O-NE 3.08Å; E48-R72 IonicContact OE2-NH2 2.75Å; E48-R72 PolarHBondContact OE2-NH2 3.48Å |
| 49 | K | 98.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.096 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 128.6 | -176.7 | -169.2 | -177.8 | -66.2 | -168.2 | 0 | 112.1 | R72 V74 E92 T118 Q121 | K49-R72 CarbonylContact C-O 3.57Å; K49-R72 VanDerWaalsContact CA-O 3.28Å; K49-R72 WeakPolarHBondContact CA-O 3.35Å; K49-R72 HydrophobicContact CB-CB 4.34Å; K49-R72 HydrophobicContact CG-CB 4.22Å; K49-V74 HydrophobicContact CD-CG2 3.66Å; K49-V74 HydrophobicContact CG-CG2 3.9Å; K49-E92 VanDerWaalsContact CE-OE1 3.29Å; K49-E92 WeakPolarHBondContact CE-OE1 3.44Å; K49-E92 IonicContact NZ-OE1 3.7Å; K49-E92 PolarHBondContact NZ-OE1 3.2Å; K49-E92 IonicContact NZ-OE2 2.73Å; K49-E92 PolarHBondContact NZ-OE2 3.44Å; K49-T118 VanDerWaalsContact CD-O 3.23Å; K49-T118 WeakPolarHBondContact CD-O 3.35Å; K49-T118 WeakPolarHBondContact CE-O 3.37Å; K49-T118 PolarHBondContact NZ-O 3.12Å; K49-Q121 PolarHBondContact O-N 3.26Å |
| 50 | V | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.1 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | F47 I71 R72 T73 V74 A122 H124 L148 L358 | F47-V50 HydrophobicContact CB-CG2 3.84Å; F47-V50 HydrophobicContact CD2-CG2 4.25Å; F47-V50 HydrophobicContact CG-CG2 4.18Å; V50-I71 HydrophobicContact CB-CG2 4.19Å; V50-I71 HydrophobicContact CG2-CG2 3.63Å; V50-R72 PolarHBondContact N-O 3.31Å; V50-T73 WeakPolarHBondContact O-CA 3.12Å; V50-V74 PolarHBondContact O-N 2.94Å; V50-A122 WeakPolarHBondContact CA-O 3.4Å; V50-A122 HydrophobicContact CG2-CB 4.29Å; V50-H124 HydrophobicContact CG1-CB 4.13Å; V50-L148 HydrophobicContact CG1-CD1 3.73Å; V50-L148 HydrophobicContact CG2-CD1 4.3Å; V50-L358 HydrophobicContact CG2-CD2 4.01Å |
| 51 | L | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133 | 169.5 | 179.3 | 150.1 | 0 | 0 | 0 | 109.9 | A53 V74 I76 I111 A114 V115 A120 A122 V123 H124 | L51-A53 HydrophobicContact CD2-CB 4.01Å; L51-V74 CarbonylContact C-O 3.48Å; L51-V74 WeakPolarHBondContact CA-O 3.43Å; L51-V74 HydrophobicContact CB-CB 4.11Å; L51-V74 HydrophobicContact CD1-CB 4.36Å; L51-V74 HydrophobicContact CD1-CG1 4.08Å; L51-V74 HydrophobicContact CG-CB 4.2Å; L51-V74 HydrophobicContact CG-CG1 4.33Å; L51-I76 HydrophobicContact CD1-CG2 3.86Å; L51-I76 HydrophobicContact CD2-CG2 3.85Å; L51-I76 HydrophobicContact CG-CG2 4Å; L51-I111 HydrophobicContact CD2-CG2 4.33Å; L51-A114 HydrophobicContact CD1-CB 4.03Å; L51-V115 HydrophobicContact CD1-CG2 3.86Å; L51-V115 HydrophobicContact CD2-CG2 4.3Å; L51-A120 HydrophobicContact CB-CB 3.67Å; L51-A122 PolarHBondContact N-O 3.42Å; L51-V123 HydrophobicContact CB-CG2 4.38Å; L51-V123 HydrophobicContact CD2-CG1 3.99Å; L51-V123 HydrophobicContact CD2-CG2 4.2Å; L51-V123 CarbonylContact O-C 3.52Å; L51-V123 VanDerWaalsContact O-CA 3.25Å; L51-V123 WeakPolarHBondContact O-CA 3.37Å; L51-H124 PolarHBondContact O-N 3.35Å |
| 52 | I | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 109.1 | 177.4 | -60.5 | 89.6 | 0 | 0 | 0 | 107.6 | N54 A59 I62 I63 T73 V74 I76 H124 | I52-N54 HydrophobicContact CG2-CB 4.37Å; I52-N54 PolarHBondContact O-N 3.05Å; I52-N54 VanDerWaalsContact O-N 3.16Å; I52-A59 HydrophobicContact CG2-CB 3.83Å; I52-I62 HydrophobicContact CG1-CB 4.19Å; I52-I62 HydrophobicContact CG1-CG2 3.61Å; I52-I62 HydrophobicContact CG2-CD1 3.99Å; I52-I63 HydrophobicContact CD1-CD1 4.46Å; I52-I63 HydrophobicContact CD1-CG1 3.68Å; I52-I63 HydrophobicContact CG1-CG1 4.11Å; I52-T73 HydrophobicContact CD1-CG2 4.02Å; I52-V74 WeakPolarHBondContact CD1-O 3.24Å; I52-V74 PolarHBondContact N-O 3.04Å; I52-I76 WeakPolarHBondContact O-CG1 3.43Å; I52-I76 PolarHBondContact O-N 3.45Å; I52-H124 WeakPolarHBondContact CA-O 3.26Å |
| 53 | A | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | trans | -89.5 | 46.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L51 I76 I111 V123 H124 F136 | L51-A53 HydrophobicContact CD2-CB 4.01Å; A53-I76 HydrophobicContact CB-CD1 4.14Å; A53-I111 HydrophobicContact CB-CG2 4.4Å; A53-V123 HydrophobicContact CB-CG1 3.54Å; A53-H124 PolarHBondContact N-O 2.99Å; A53-F136 HydrophobicContact CB-CE1 4.38Å; A53-F136 HydrophobicContact CB-CZ 4.41Å | ||
| 54 | N | 98.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.027 | 12% | 0.115 | C | C | . | . | trans | -155.6 | -180 | -178 | -145.3 | -40 | 0 | 0 | 0 | 111.1 | I52 I58 P125 Y127 F129 | I52-N54 HydrophobicContact CG2-CB 4.37Å; I52-N54 PolarHBondContact O-N 3.05Å; I52-N54 VanDerWaalsContact O-N 3.16Å; N54-I58 HydrophobicContact CB-CG2 4.21Å; N54-P125 WeakPolarHBondContact CB-O 3.36Å; N54-P125 PolarHBondContact ND2-O 2.87Å; N54-Y127 PolarHBondContact ND2-N 3.46Å; N54-Y127 VanDerWaalsContact ND2-N 3.2Å; N54-Y127 PolarHBondContact ND2-O 3.39Å; N54-F129 WeakPolarHBondContact OD1-CD2 3.38Å; N54-F129 VanDerWaalsContact OD1-CE2 3.25Å; N54-F129 WeakPolarHBondContact OD1-CE2 3.47Å | ||
| 55 | R | 97.4 | Very high | 97.5 | Very high | 44 Ų | 44 | 23.3 Ų | 23.3 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | trans | -132.7 | -179.1 | 179.7 | 70 | -177.5 | -63 | -91.4 | 1.6 | 111.6 | I58 A59 D81 F86 Y105 F129 Y429 | R55-I58 VanDerWaalsContact O-CG2 3.28Å; R55-I58 WeakPolarHBondContact O-CG2 3.46Å; R55-A59 PolarHBondContact O-N 2.87Å; R55-D81 IonicContact CZ-OD1 3.73Å; R55-D81 VanDerWaalsContact CZ-OD1 3.31Å; R55-D81 IonicContact CZ-OD2 2.63Å; R55-D81 VanDerWaalsContact NE-CG 3.33Å; R55-D81 IonicContact NE-OD1 2.68Å; R55-D81 PolarHBondContact NE-OD1 3.11Å; R55-D81 IonicContact NE-OD2 3.29Å; R55-D81 PolarHBondContact NE-OD2 2.72Å; R55-D81 IonicContact NH2-OD1 3.55Å; R55-D81 PolarHBondContact NH2-OD1 3.07Å; R55-D81 IonicContact NH2-OD2 3.9Å; R55-D81 PolarHBondContact NH2-OD2 2.82Å; R55-F86 HydrophobicContact CB-CD1 4.44Å; R55-F86 HydrophobicContact CB-CE1 3.65Å; R55-F86 HydrophobicContact CB-CE2 4.39Å; R55-F86 HydrophobicContact CB-CZ 3.64Å; R55-Y105 HydrophobicContact CB-CE1 3.79Å; R55-Y105 HydrophobicContact CB-CE2 4.4Å; R55-Y105 WeakPolarHBondContact CB-OH 3.44Å; R55-Y105 HydrophobicContact CG-CE1 4.38Å; R55-Y105 HydrophobicContact CG-CE2 4.41Å; R55-F129 HydrophobicContact CG-CE2 4Å; R55-F129 HydrophobicContact CG-CZ 4.21Å; R55-Y429 VanDerWaalsContact NH1-CD2 3.28Å | ||
| 56 | G | 95.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 17 Ų | 17 | 11% | 0.113 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | 69.7 | -150.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A59 C60 | G56-A59 PolarHBondContact O-N 3.21Å; G56-C60 PolarHBondContact O-N 2.8Å |
| 57 | E | 96.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 18 Ų | 18 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.7 | -41.3 | -177.3 | 70.3 | -54 | 123.5 | 0 | 0 | 112.6 | A59 C60 R61 Y127 D416 G418 M432 K435 | E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.3Å; E57-C60 WeakPolarHBondContact O-CB 3.5Å; E57-C60 PolarHBondContact O-N 3.36Å; E57-R61 WeakPolarHBondContact O-CB 3.27Å; E57-R61 PolarHBondContact O-N 2.68Å; E57-Y127 PolarHBondContact OE1-OH 3.46Å; E57-D416 WeakPolarHBondContact CB-O 3.34Å; E57-G418 VanDerWaalsContact N-CA 3.31Å; E57-M432 HydrophobicContact CG-SD 4.17Å; E57-K435 HydrophobicContact CG-CD 4.45Å; E57-K435 HydrophobicContact CG-CG 4.4Å |
| 58 | I | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 178.3 | -177.8 | 54.5 | 0 | 0 | 0 | 112.2 | N54 R55 R61 I62 Y127 L338 | N54-I58 HydrophobicContact CB-CG2 4.21Å; R55-I58 VanDerWaalsContact O-CG2 3.28Å; R55-I58 WeakPolarHBondContact O-CG2 3.46Å; I58-R61 PolarHBondContact O-N 2.95Å; I58-I62 HydrophobicContact CD1-CD1 3.95Å; I58-I62 HydrophobicContact CD1-CG1 4.03Å; I58-I62 HydrophobicContact CG1-CD1 3.81Å; I58-I62 HydrophobicContact CG1-CG1 4.41Å; I58-I62 WeakPolarHBondContact O-CD1 3.44Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.29Å; I58-Y127 HydrophobicContact CB-CD1 4.33Å; I58-Y127 HydrophobicContact CB-CE1 3.67Å; I58-Y127 HydrophobicContact CB-CE2 4.08Å; I58-Y127 HydrophobicContact CD1-CD1 4.2Å; I58-Y127 HydrophobicContact CD1-CE1 3.8Å; I58-Y127 HydrophobicContact CG1-CD1 3.94Å; I58-Y127 HydrophobicContact CG1-CE1 3.66Å; I58-Y127 HydrophobicContact CG2-CD2 4.36Å; I58-Y127 HydrophobicContact CG2-CE1 4.33Å; I58-Y127 HydrophobicContact CG2-CE2 3.89Å; I58-L338 HydrophobicContact CD1-CD2 3.65Å |
| 59 | A | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I52 R55 G56 E57 R61 I62 I63 F86 | I52-A59 HydrophobicContact CG2-CB 3.83Å; R55-A59 PolarHBondContact O-N 2.87Å; G56-A59 PolarHBondContact O-N 3.21Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.3Å; A59-R61 PolarHBondContact O-N 2.98Å; A59-I62 PolarHBondContact O-N 3.08Å; A59-I63 WeakPolarHBondContact O-CB 3.49Å; A59-I63 WeakPolarHBondContact O-CD1 3.22Å; A59-I63 WeakPolarHBondContact O-CG1 3.42Å; A59-I63 PolarHBondContact O-N 2.89Å; A59-F86 HydrophobicContact CB-CB 3.7Å; A59-F86 HydrophobicContact CB-CD1 4.48Å; A59-F86 HydrophobicContact CB-CD2 3.76Å; A59-F86 HydrophobicContact CB-CG 3.73Å |
| 60 | C | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57 | -48.1 | 172.5 | -68.8 | 0 | 0 | 0 | 0 | 111.9 | G56 E57 I62 I63 Q64 M89 | G56-C60 PolarHBondContact O-N 2.8Å; E57-C60 WeakPolarHBondContact O-CB 3.5Å; E57-C60 PolarHBondContact O-N 3.36Å; C60-I62 PolarHBondContact O-N 3.44Å; C60-I63 PolarHBondContact O-N 2.97Å; C60-Q64 VanDerWaalsContact O-CG 3.29Å; C60-Q64 WeakPolarHBondContact O-CG 3.5Å; C60-Q64 PolarHBondContact O-N 3.1Å; C60-M89 HydrophobicContact CB-CE 3.94Å; C60-M89 HydrophobicContact CB-SD 4.02Å; C60-M89 WeakPolarHBondContact O-CE 3.35Å; C60-M89 VanDerWaalsContact SG-SD 3.66Å |
| 61 | R | 97.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | -178.6 | 176.4 | 65.9 | -173.4 | 77.3 | 2.3 | 112.1 | Y35 E57 I58 A59 Q64 S65 E346 D352 V354 | Y35-R61 PolarHBondContact OH-NH2 3.11Å; Y35-R61 VanDerWaalsContact OH-NH2 3.11Å; E57-R61 WeakPolarHBondContact O-CB 3.27Å; E57-R61 PolarHBondContact O-N 2.68Å; I58-R61 PolarHBondContact O-N 2.95Å; A59-R61 PolarHBondContact O-N 2.98Å; R61-Q64 PolarHBondContact O-N 3.3Å; R61-S65 PolarHBondContact NH1-OG 3.42Å; R61-S65 PolarHBondContact O-N 3.07Å; R61-E346 IonicContact CZ-OE2 3.85Å; R61-E346 IonicContact NE-OE2 3.3Å; R61-E346 VanDerWaalsContact NH2-CD 3.3Å; R61-E346 IonicContact NH2-OE1 3.07Å; R61-E346 PolarHBondContact NH2-OE1 2.72Å; R61-E346 IonicContact NH2-OE2 2.69Å; R61-E346 PolarHBondContact NH2-OE2 3.26Å; R61-D352 IonicContact CZ-OD1 2.66Å; R61-D352 IonicContact NH1-OD1 3.5Å; R61-D352 IonicContact NH2-OD1 2.73Å; R61-D352 PolarHBondContact NH2-OD1 3.24Å; R61-D352 IonicContact NH2-OD2 3.5Å; R61-V354 HydrophobicContact CG-CG2 4.36Å |
| 62 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -47.6 | 176.5 | -64.9 | 157.5 | 0 | 0 | 0 | 110.9 | I52 I58 A59 C60 Q64 S65 C66 H124 V354 | I52-I62 HydrophobicContact CG1-CB 4.19Å; I52-I62 HydrophobicContact CG1-CG2 3.61Å; I52-I62 HydrophobicContact CG2-CD1 3.99Å; I58-I62 HydrophobicContact CD1-CD1 3.95Å; I58-I62 HydrophobicContact CD1-CG1 4.03Å; I58-I62 HydrophobicContact CG1-CD1 3.81Å; I58-I62 HydrophobicContact CG1-CG1 4.41Å; I58-I62 WeakPolarHBondContact O-CD1 3.44Å; I58-I62 VanDerWaalsContact O-CG1 3.28Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.29Å; A59-I62 PolarHBondContact O-N 3.08Å; C60-I62 PolarHBondContact O-N 3.44Å; I62-Q64 PolarHBondContact O-N 3.36Å; I62-S65 PolarHBondContact O-N 2.85Å; I62-S65 VanDerWaalsContact O-N 3.15Å; I62-C66 PolarHBondContact O-N 3.26Å; I62-H124 HydrophobicContact CD1-CB 4.21Å; I62-H124 WeakPolarHBondContact CD1-ND1 3.44Å; I62-H124 HydrophobicContact CG2-CB 3.87Å; I62-V354 HydrophobicContact CG1-CG1 4.22Å |
| 63 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | 179.2 | -69.2 | 162.6 | 0 | 0 | 0 | 110.7 | I52 A59 C60 C66 K67 T73 F86 M89 A90 | I52-I63 HydrophobicContact CD1-CD1 4.46Å; I52-I63 HydrophobicContact CD1-CG1 3.68Å; I52-I63 HydrophobicContact CG1-CG1 4.11Å; A59-I63 WeakPolarHBondContact O-CB 3.49Å; A59-I63 WeakPolarHBondContact O-CD1 3.22Å; A59-I63 WeakPolarHBondContact O-CG1 3.42Å; A59-I63 PolarHBondContact O-N 2.89Å; C60-I63 PolarHBondContact O-N 2.97Å; I63-C66 PolarHBondContact O-N 2.98Å; I63-K67 HydrophobicContact CG2-CD 4.2Å; I63-K67 HydrophobicContact CG2-CG 4.35Å; I63-K67 WeakPolarHBondContact O-CB 3.4Å; I63-K67 WeakPolarHBondContact O-CG 3.29Å; I63-K67 PolarHBondContact O-N 2.8Å; I63-T73 HydrophobicContact CB-CG2 4.44Å; I63-T73 HydrophobicContact CG1-CG2 4.29Å; I63-T73 HydrophobicContact CG2-CG2 4.28Å; I63-F86 HydrophobicContact CD1-CB 4.22Å; I63-F86 VanDerWaalsContact CD1-O 3.31Å; I63-F86 WeakPolarHBondContact CD1-O 3.26Å; I63-M89 HydrophobicContact CB-CE 4.44Å; I63-M89 HydrophobicContact CD1-CB 4.31Å; I63-M89 HydrophobicContact CG2-CB 4.03Å; I63-M89 HydrophobicContact CG2-CE 4.29Å; I63-A90 HydrophobicContact CD1-CB 3.98Å |
| 64 | Q | 95.7 | Very high | 96.8 | Very high | 36 Ų | 36 | 27 Ų | 27 | 17% | 0.168 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.4 | -74.6 | 169.6 | -6.4 | 0 | 0 | 112.7 | C60 R61 I62 K67 R68 M89 | C60-Q64 VanDerWaalsContact O-CG 3.29Å; C60-Q64 WeakPolarHBondContact O-CG 3.5Å; C60-Q64 PolarHBondContact O-N 3.1Å; R61-Q64 PolarHBondContact O-N 3.3Å; I62-Q64 PolarHBondContact O-N 3.36Å; Q64-K67 PolarHBondContact O-N 2.93Å; Q64-R68 WeakPolarHBondContact O-CG 3.49Å; Q64-R68 PolarHBondContact O-N 3.22Å; Q64-M89 HydrophobicContact CG-CE 3.66Å |
| 65 | S | 95.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.7 | -82.6 | 0 | 0 | 0 | 0 | 111.9 | R61 I62 K67 R68 L69 D352 | R61-S65 PolarHBondContact NH1-OG 3.42Å; R61-S65 PolarHBondContact O-N 3.07Å; I62-S65 PolarHBondContact O-N 2.85Å; I62-S65 VanDerWaalsContact O-N 3.15Å; S65-K67 PolarHBondContact O-N 3.4Å; S65-R68 PolarHBondContact O-N 2.88Å; S65-L69 WeakPolarHBondContact O-CG 3.21Å; S65-L69 PolarHBondContact O-N 2.81Å; S65-D352 PolarHBondContact OG-OD1 3.34Å; S65-D352 PolarHBondContact OG-OD2 3.08Å |
| 66 | C | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.2 | -71.5 | 0 | 0 | 0 | 0 | 111.9 | I62 I63 R68 L69 G70 I71 T73 | I62-C66 PolarHBondContact O-N 3.26Å; I63-C66 PolarHBondContact O-N 2.98Å; C66-R68 PolarHBondContact O-N 3.32Å; C66-L69 CarbonylContact O-C 3.57Å; C66-L69 PolarHBondContact O-N 2.84Å; C66-G70 PolarHBondContact O-N 3.24Å; C66-I71 CarbonylContact C-O 3.6Å; C66-I71 HydrophobicContact CB-CB 3.94Å; C66-I71 HydrophobicContact CB-CG2 4.25Å; C66-I71 PolarHBondContact O-N 2.8Å; C66-T73 HydrophobicContact CB-CG2 3.29Å |
| 67 | K | 95.6 | Very high | 97 | Very high | 105 Ų | 105 | 24.6 Ų | 24.6 | 46% | 0.457 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 178 | -76.9 | -171.4 | 177.8 | -166 | 0 | 113.1 | I63 Q64 S65 L69 G70 M89 | I63-K67 HydrophobicContact CG2-CD 4.2Å; I63-K67 HydrophobicContact CG2-CG 4.35Å; I63-K67 WeakPolarHBondContact O-CB 3.4Å; I63-K67 WeakPolarHBondContact O-CG 3.29Å; I63-K67 PolarHBondContact O-N 2.8Å; Q64-K67 PolarHBondContact O-N 2.93Å; S65-K67 PolarHBondContact O-N 3.4Å; K67-L69 PolarHBondContact O-N 3.27Å; K67-G70 PolarHBondContact O-N 3.13Å; K67-G70 VanDerWaalsContact O-N 3.14Å; K67-M89 WeakPolarHBondContact CE-O 3.4Å; K67-M89 PolarHBondContact NZ-O 3.4Å |
| 68 | R | 91.2 | Very high | 97.1 | Very high | 119 Ų | 119 | 23.8 Ų | 23.8 | 45% | 0.449 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -58.4 | -32.2 | 174.3 | -78.5 | 170 | 55.3 | -150.9 | -5.8 | 112.2 | Q64 S65 C66 D352 | Q64-R68 WeakPolarHBondContact O-CG 3.49Å; Q64-R68 PolarHBondContact O-N 3.22Å; S65-R68 PolarHBondContact O-N 2.88Å; C66-R68 PolarHBondContact O-N 3.32Å; R68-D352 IonicContact CZ-OD2 3.81Å; R68-D352 IonicContact NH1-OD2 2.91Å; R68-D352 PolarHBondContact NH1-OD2 3.25Å; R68-D352 IonicContact NH2-OD2 3.83Å; R68-D352 PolarHBondContact NH2-OD2 2.88Å |
| 69 | L | 92 | Very high | 97.1 | Very high | 31 Ų | 31 | 29.7 Ų | 29.7 | 16% | 0.162 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -90.7 | -7.4 | -179.1 | -63.8 | 169.2 | 0 | 0 | 0 | 113.7 | K46 S65 C66 K67 I71 H355 L358 | K46-L69 WeakPolarHBondContact CD-O 3.19Å; K46-L69 PolarHBondContact NZ-O 3.35Å; S65-L69 WeakPolarHBondContact O-CG 3.21Å; S65-L69 PolarHBondContact O-N 2.81Å; C66-L69 CarbonylContact O-C 3.57Å; C66-L69 PolarHBondContact O-N 2.84Å; K67-L69 PolarHBondContact O-N 3.27Å; L69-I71 HydrophobicContact CB-CD1 3.93Å; L69-I71 HydrophobicContact CB-CG1 3.92Å; L69-I71 HydrophobicContact CD1-CD1 4.15Å; L69-H355 VanDerWaalsContact CD1-CD2 3.47Å; L69-H355 WeakPolarHBondContact CD1-CD2 3.31Å; L69-L358 HydrophobicContact CD1-CD1 3.68Å |
| 70 | G | 94.4 | Very high | 96.8 | Very high | 69 Ų | 69 | 31.9 Ų | 31.9 | 71% | 0.711 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 20.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | C66 K67 | C66-G70 PolarHBondContact O-N 3.24Å; K67-G70 PolarHBondContact O-N 3.13Å; K67-G70 VanDerWaalsContact O-N 3.14Å |
| 71 | I | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | -91.7 | 128.6 | -178.6 | -55.9 | 178.6 | 0 | 0 | 0 | 108.9 | K46 F47 V50 C66 L69 L358 | K46-I71 HydrophobicContact CB-CG1 4.45Å; F47-I71 HydrophobicContact CB-CG2 4.21Å; F47-I71 WeakPolarHBondContact O-CG1 3.47Å; F47-I71 WeakPolarHBondContact O-CG2 3.23Å; V50-I71 HydrophobicContact CB-CG2 4.19Å; V50-I71 HydrophobicContact CG2-CG2 3.63Å; C66-I71 CarbonylContact C-O 3.6Å; C66-I71 HydrophobicContact CB-CB 3.94Å; C66-I71 HydrophobicContact CB-CG2 4.25Å; C66-I71 PolarHBondContact O-N 2.8Å; L69-I71 HydrophobicContact CB-CD1 3.93Å; L69-I71 HydrophobicContact CB-CG1 3.92Å; L69-I71 HydrophobicContact CD1-CD1 4.15Å; I71-L358 HydrophobicContact CD1-CD1 4.29Å; I71-L358 HydrophobicContact CD1-CD2 4.36Å | ||
| 72 | R | 98.8 | Very high | 96.7 | Very high | 116 Ų | 116 | 39.4 Ų | 39.4 | 44% | 0.438 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 149.1 | 175.4 | -64.2 | 177.2 | -73.6 | -175.4 | -6.7 | 110.9 | E48 K49 V50 D91 | E48-R72 VanDerWaalsContact O-CB 3.3Å; E48-R72 WeakPolarHBondContact O-CB 3.43Å; E48-R72 PolarHBondContact O-N 3.39Å; E48-R72 VanDerWaalsContact O-N 3.08Å; E48-R72 PolarHBondContact O-NE 3.08Å; E48-R72 IonicContact OE2-NH2 2.75Å; E48-R72 PolarHBondContact OE2-NH2 3.48Å; K49-R72 CarbonylContact C-O 3.57Å; K49-R72 VanDerWaalsContact CA-O 3.28Å; K49-R72 WeakPolarHBondContact CA-O 3.35Å; K49-R72 HydrophobicContact CB-CB 4.34Å; K49-R72 HydrophobicContact CG-CB 4.22Å; V50-R72 PolarHBondContact N-O 3.31Å; R72-D91 WeakPolarHBondContact CA-OD2 3.36Å |
| 73 | T | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137 | -170.8 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | V50 I52 I63 C66 A90 D91 E92 | V50-T73 WeakPolarHBondContact O-CA 3.12Å; I52-T73 HydrophobicContact CD1-CG2 4.02Å; I63-T73 HydrophobicContact CB-CG2 4.44Å; I63-T73 HydrophobicContact CG1-CG2 4.29Å; I63-T73 HydrophobicContact CG2-CG2 4.28Å; C66-T73 HydrophobicContact CB-CG2 3.29Å; T73-A90 WeakPolarHBondContact OG1-CA 3.25Å; T73-D91 PolarHBondContact N-OD2 3.02Å; T73-D91 PolarHBondContact O-N 3.39Å; T73-D91 PolarHBondContact OG1-N 3.36Å; T73-D91 PolarHBondContact OG1-OD2 2.91Å; T73-E92 PolarHBondContact O-N 3.14Å |
| 74 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.2 | 171.7 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | K49 V50 L51 I52 E92 V94 T118 | K49-V74 HydrophobicContact CD-CG2 3.66Å; K49-V74 HydrophobicContact CG-CG2 3.9Å; V50-V74 PolarHBondContact O-N 2.94Å; L51-V74 CarbonylContact C-O 3.48Å; L51-V74 WeakPolarHBondContact CA-O 3.43Å; L51-V74 HydrophobicContact CB-CB 4.11Å; L51-V74 HydrophobicContact CD1-CB 4.36Å; L51-V74 HydrophobicContact CD1-CG1 4.08Å; L51-V74 HydrophobicContact CG-CB 4.2Å; L51-V74 HydrophobicContact CG-CG1 4.33Å; I52-V74 WeakPolarHBondContact CD1-O 3.24Å; I52-V74 PolarHBondContact N-O 3.04Å; V74-E92 CarbonylContact C-O 3.58Å; V74-E92 WeakPolarHBondContact CA-O 3.35Å; V74-E92 HydrophobicContact CG1-CB 4.31Å; V74-E92 HydrophobicContact CG2-CB 4.16Å; V74-V94 HydrophobicContact CG1-CG2 4.1Å; V74-T118 HydrophobicContact CG1-CG2 3.83Å; V74-T118 HydrophobicContact CG2-CG2 4.18Å |
| 75 | A | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F86 A90 E92 A93 V94 | A75-F86 HydrophobicContact CB-CD2 3.86Å; A75-F86 HydrophobicContact CB-CE2 4.07Å; A75-A90 HydrophobicContact CB-CB 3.56Å; A75-E92 PolarHBondContact N-O 2.82Å; A75-A93 CarbonylContact O-C 3.26Å; A75-A93 VanDerWaalsContact O-CA 3.24Å; A75-A93 WeakPolarHBondContact O-CA 3.39Å; A75-V94 PolarHBondContact O-N 3.46Å |
| 76 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 143.7 | 162.2 | 69.9 | 174 | 0 | 0 | 0 | 109.6 | L51 I52 A53 F86 V94 V96 Y105 I111 A114 | L51-I76 HydrophobicContact CD1-CG2 3.86Å; L51-I76 HydrophobicContact CD2-CG2 3.85Å; L51-I76 HydrophobicContact CG-CG2 4Å; I52-I76 WeakPolarHBondContact O-CG1 3.43Å; I52-I76 PolarHBondContact O-N 3.45Å; A53-I76 HydrophobicContact CB-CD1 4.14Å; I76-F86 WeakPolarHBondContact O-CE2 3.45Å; I76-V94 CarbonylContact C-O 3.55Å; I76-V94 WeakPolarHBondContact CA-O 3.45Å; I76-V96 HydrophobicContact CB-CG1 3.77Å; I76-V96 HydrophobicContact CB-CG2 4.16Å; I76-V96 HydrophobicContact CD1-CG2 4.3Å; I76-V96 HydrophobicContact CG1-CG2 4.47Å; I76-V96 HydrophobicContact CG2-CG1 3.88Å; I76-Y105 HydrophobicContact CD1-CD1 4.13Å; I76-Y105 HydrophobicContact CD1-CE1 4.48Å; I76-Y105 HydrophobicContact CG1-CD1 4.29Å; I76-Y105 HydrophobicContact CG1-CE1 4.14Å; I76-I111 HydrophobicContact CD1-CD1 3.63Å; I76-I111 HydrophobicContact CD1-CG1 3.67Å; I76-I111 HydrophobicContact CD1-CG2 4.37Å; I76-A114 HydrophobicContact CG2-CB 4.33Å |
| 77 | H | 98.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 156.4 | 176.6 | 70.1 | 88.3 | 0 | 0 | 0 | 113 | D81 Y82 F86 V87 V94 C95 V96 Y105 | H77-D81 HydrophobicContact CB-CB 3.89Å; H77-Y82 AromaticContact CE1-CD2 3.82Å; H77-F86 HydrophobicContact CB-CE2 4.31Å; H77-F86 HydrophobicContact CB-CZ 4.15Å; H77-V87 HydrophobicContact CB-CG2 3.54Å; H77-V94 PolarHBondContact CD2-O 2.81Å; H77-V94 PolarHBondContact N-O 3.15Å; H77-C95 PolarHBondContact NE2-N 2.97Å; H77-C95 CarbonylContact O-C 3.52Å; H77-C95 VanDerWaalsContact O-CA 3.28Å; H77-C95 WeakPolarHBondContact O-CA 3.44Å; H77-V96 WeakPolarHBondContact O-CG2 3.34Å; H77-V96 PolarHBondContact O-N 3.21Å; H77-Y105 WeakPolarHBondContact CA-OH 3.4Å |
| 78 | S | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 170.8 | 164.1 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | A80 D81 Y82 G97 Y105 Y429 | S78-A80 VanDerWaalsContact C-N 3.28Å; S78-A80 PolarHBondContact O-N 2.86Å; S78-A80 PolarHBondContact OG-N 3.35Å; S78-D81 PolarHBondContact O-N 2.95Å; S78-D81 VanDerWaalsContact O-N 3.11Å; S78-D81 PolarHBondContact OG-N 3.35Å; S78-D81 PolarHBondContact OG-OD2 3.4Å; S78-Y82 PolarHBondContact O-N 2.6Å; S78-G97 WeakPolarHBondContact CA-O 3.45Å; S78-Y105 PolarHBondContact N-OH 3.35Å; S78-Y429 WeakPolarHBondContact CB-OH 3.49Å; S78-Y429 PolarHBondContact OG-OH 2.9Å |
| 79 | E | 97.2 | Very high | 96.9 | Very high | 123 Ų | 123 | 43.4 Ų | 43.4 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -55.3 | -41.3 | 168.3 | -69.1 | 178.4 | 174.9 | 0 | 0 | 112.9 | D81 Y82 G97 | E79-D81 PolarHBondContact O-N 2.91Å; E79-Y82 WeakPolarHBondContact O-CB 3.32Å; E79-Y82 PolarHBondContact O-N 3.2Å; E79-G97 PolarHBondContact N-O 2.89Å; E79-G97 VanDerWaalsContact N-O 3.08Å |
| 80 | A | 93.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 39% | 0.388 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -64.4 | -23.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S78 S99 Y428 Y429 | S78-A80 VanDerWaalsContact C-N 3.28Å; S78-A80 PolarHBondContact O-N 2.86Å; S78-A80 PolarHBondContact OG-N 3.35Å; A80-S99 WeakPolarHBondContact CB-OG 3.44Å; A80-Y428 HydrophobicContact CB-CD2 4.28Å; A80-Y429 HydrophobicContact CB-CE2 4.04Å |
| 81 | D | 96.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -96.9 | 4.1 | -177 | -78.3 | -62.4 | 0 | 0 | 0 | 114.3 | R55 H77 S78 E79 L83 S84 F86 V87 Y105 Y429 | R55-D81 IonicContact CZ-OD1 3.73Å; R55-D81 VanDerWaalsContact CZ-OD1 3.31Å; R55-D81 IonicContact CZ-OD2 2.63Å; R55-D81 VanDerWaalsContact NE-CG 3.33Å; R55-D81 IonicContact NE-OD1 2.68Å; R55-D81 PolarHBondContact NE-OD1 3.11Å; R55-D81 IonicContact NE-OD2 3.29Å; R55-D81 PolarHBondContact NE-OD2 2.72Å; R55-D81 IonicContact NH2-OD1 3.55Å; R55-D81 PolarHBondContact NH2-OD1 3.07Å; R55-D81 IonicContact NH2-OD2 3.9Å; R55-D81 PolarHBondContact NH2-OD2 2.82Å; H77-D81 HydrophobicContact CB-CB 3.89Å; S78-D81 PolarHBondContact O-N 2.95Å; S78-D81 VanDerWaalsContact O-N 3.11Å; S78-D81 PolarHBondContact OG-N 3.35Å; S78-D81 PolarHBondContact OG-OD2 3.4Å; E79-D81 PolarHBondContact O-N 2.91Å; D81-L83 PolarHBondContact O-N 2.76Å; D81-S84 WeakPolarHBondContact O-CB 3.42Å; D81-S84 PolarHBondContact O-N 3.3Å; D81-S84 PolarHBondContact O-OG 3.06Å; D81-F86 HydrophobicContact CB-CE1 4.17Å; D81-F86 HydrophobicContact CB-CZ 3.96Å; D81-V87 WeakPolarHBondContact O-CG2 3.21Å; D81-Y105 WeakPolarHBondContact CB-OH 3.37Å; D81-Y105 VanDerWaalsContact CG-OH 3.31Å; D81-Y105 WeakPolarHBondContact OD2-CE2 3.44Å; D81-Y105 PolarHBondContact OD2-OH 3.12Å; D81-Y429 VanDerWaalsContact OD2-CE2 3.23Å; D81-Y429 WeakPolarHBondContact OD2-CE2 3.39Å |
| 82 | Y | 95.3 | Very high | 97.4 | Very high | 157 Ų | 157 | 46.6 Ų | 46.6 | 62% | 0.616 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -33.9 | -174.3 | 178.3 | -105.1 | 0 | 0 | 0 | 114.1 | H77 S78 E79 | H77-Y82 AromaticContact CE1-CD2 3.82Å; S78-Y82 PolarHBondContact O-N 2.6Å; E79-Y82 WeakPolarHBondContact O-CB 3.32Å; E79-Y82 PolarHBondContact O-N 3.2Å |
| 83 | L | 94.3 | Very high | 97.4 | Very high | 155 Ų | 155 | 43.3 Ų | 43.3 | 81% | 0.812 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 10.3 | 178.9 | -61.1 | 179.6 | 0 | 0 | 0 | 114 | D81 | D81-L83 PolarHBondContact O-N 2.76Š|
| 84 | S | 95.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | trans | -68.6 | 157.5 | -176.4 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | D81 F86 V87 S88 | D81-S84 WeakPolarHBondContact O-CB 3.42Å; D81-S84 PolarHBondContact O-N 3.3Å; D81-S84 PolarHBondContact O-OG 3.06Å; S84-F86 PolarHBondContact O-N 3.17Å; S84-F86 WeakPolarHBondContact OG-CD1 3.47Å; S84-F86 WeakPolarHBondContact OG-CE1 3.4Å; S84-F86 WeakPolarHBondContact OG-CZ 3.46Å; S84-V87 PolarHBondContact O-N 3.37Å; S84-V87 VanDerWaalsContact OG-CG2 3.26Å; S84-V87 WeakPolarHBondContact OG-CG2 3.34Å; S84-S88 PolarHBondContact O-N 3.46Å | ||
| 85 | R | 95.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.8 | -48.3 | -178 | -179.7 | 176.3 | 173.9 | 168.7 | -5.4 | 111.9 | V87 S88 M89 E406 G418 V419 | R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 3.49Å; R85-S88 PolarHBondContact O-N 3.01Å; R85-S88 PolarHBondContact O-OG 2.74Å; R85-M89 HydrophobicContact CG-CG 4.38Å; R85-M89 HydrophobicContact CG-SD 3.72Å; R85-M89 VanDerWaalsContact O-CG 3.32Å; R85-M89 WeakPolarHBondContact O-CG 3.45Å; R85-M89 PolarHBondContact O-N 2.97Å; R85-E406 IonicContact NH1-OE1 3.89Å; R85-G418 WeakPolarHBondContact CB-O 3.49Å; R85-V419 WeakPolarHBondContact CD-O 3.34Å; R85-V419 PolarHBondContact NH1-O 3.5Å |
| 86 | F | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -34.1 | -175.7 | 74.1 | -89.3 | 0 | 0 | 0 | 112.5 | R55 A59 I63 A75 I76 H77 D81 S84 M89 A90 | R55-F86 HydrophobicContact CB-CD1 4.44Å; R55-F86 HydrophobicContact CB-CE1 3.65Å; R55-F86 HydrophobicContact CB-CE2 4.39Å; R55-F86 HydrophobicContact CB-CZ 3.64Å; A59-F86 HydrophobicContact CB-CB 3.7Å; A59-F86 HydrophobicContact CB-CD1 4.48Å; A59-F86 HydrophobicContact CB-CD2 3.76Å; A59-F86 HydrophobicContact CB-CG 3.73Å; I63-F86 HydrophobicContact CD1-CB 4.22Å; I63-F86 VanDerWaalsContact CD1-O 3.31Å; I63-F86 WeakPolarHBondContact CD1-O 3.26Å; A75-F86 HydrophobicContact CB-CD2 3.86Å; A75-F86 HydrophobicContact CB-CE2 4.07Å; I76-F86 WeakPolarHBondContact O-CE2 3.45Å; H77-F86 HydrophobicContact CB-CE2 4.31Å; H77-F86 HydrophobicContact CB-CZ 4.15Å; D81-F86 HydrophobicContact CB-CE1 4.17Å; D81-F86 HydrophobicContact CB-CZ 3.96Å; S84-F86 PolarHBondContact O-N 3.17Å; S84-F86 WeakPolarHBondContact OG-CD1 3.47Å; S84-F86 WeakPolarHBondContact OG-CE1 3.4Å; S84-F86 WeakPolarHBondContact OG-CZ 3.46Å; F86-M89 PolarHBondContact O-N 3.39Å; F86-A90 PolarHBondContact O-N 2.98Å; F86-A90 VanDerWaalsContact O-N 3.12Å |
| 87 | V | 98.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | H77 D81 S84 R85 M89 A90 A93 | H77-V87 HydrophobicContact CB-CG2 3.54Å; D81-V87 WeakPolarHBondContact O-CG2 3.21Å; S84-V87 PolarHBondContact O-N 3.37Å; S84-V87 VanDerWaalsContact OG-CG2 3.26Å; S84-V87 WeakPolarHBondContact OG-CG2 3.34Å; R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 3.49Å; V87-M89 PolarHBondContact O-N 3.49Å; V87-A90 PolarHBondContact O-N 3.14Å; V87-A93 HydrophobicContact CG1-CB 3.8Å |
| 88 | S | 97.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 51 Ų | 51 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.2 | -19.5 | 177.5 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | S84 R85 | S84-S88 PolarHBondContact O-N 3.46Å; R85-S88 PolarHBondContact O-N 3.01Å; R85-S88 PolarHBondContact O-OG 2.74Å |
| 89 | M | 97.8 | Very high | 97 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -82.8 | -29.6 | 177.4 | -76.3 | 176 | 53.6 | 0 | 0 | 112.6 | C60 I63 Q64 K67 R85 F86 V87 | C60-M89 HydrophobicContact CB-CE 3.94Å; C60-M89 HydrophobicContact CB-SD 4.02Å; C60-M89 WeakPolarHBondContact O-CE 3.35Å; C60-M89 VanDerWaalsContact SG-SD 3.66Å; I63-M89 HydrophobicContact CB-CE 4.44Å; I63-M89 HydrophobicContact CD1-CB 4.31Å; I63-M89 HydrophobicContact CG2-CB 4.03Å; I63-M89 HydrophobicContact CG2-CE 4.29Å; Q64-M89 HydrophobicContact CG-CE 3.66Å; K67-M89 WeakPolarHBondContact CE-O 3.4Å; K67-M89 PolarHBondContact NZ-O 3.4Å; R85-M89 HydrophobicContact CG-CG 4.38Å; R85-M89 HydrophobicContact CG-SD 3.72Å; R85-M89 VanDerWaalsContact O-CG 3.32Å; R85-M89 WeakPolarHBondContact O-CG 3.45Å; R85-M89 PolarHBondContact O-N 2.97Å; F86-M89 PolarHBondContact O-N 3.39Å; V87-M89 PolarHBondContact O-N 3.49Å |
| 90 | A | 98.5 | Very high | 96.8 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -72.2 | 161.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I63 T73 A75 F86 V87 E92 | I63-A90 HydrophobicContact CD1-CB 3.98Å; T73-A90 WeakPolarHBondContact OG1-CA 3.25Å; A75-A90 HydrophobicContact CB-CB 3.56Å; F86-A90 PolarHBondContact O-N 2.98Å; F86-A90 VanDerWaalsContact O-N 3.12Å; V87-A90 PolarHBondContact O-N 3.14Å; A90-E92 VanDerWaalsContact CB-O 3.31Å; A90-E92 WeakPolarHBondContact CB-O 3.49Å |
| 91 | D | 98.6 | Very high | 96.7 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -79.1 | -30.9 | 175.7 | -53.8 | -72.1 | 0 | 0 | 0 | 111.4 | R72 T73 | R72-D91 WeakPolarHBondContact CA-OD2 3.36Å; T73-D91 PolarHBondContact N-OD2 3.02Å; T73-D91 PolarHBondContact O-N 3.39Å; T73-D91 PolarHBondContact OG1-N 3.36Å; T73-D91 PolarHBondContact OG1-OD2 2.91Å |
| 92 | E | 98.5 | Very high | 96.4 | Very high | 68 Ų | 68 | 50.3 Ų | 50.3 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 153.6 | 175.1 | -70.5 | 169.6 | -128 | 0 | 0 | 110 | K49 T73 V74 A75 A90 | K49-E92 VanDerWaalsContact CE-OE1 3.29Å; K49-E92 WeakPolarHBondContact CE-OE1 3.44Å; K49-E92 IonicContact NZ-OE1 3.7Å; K49-E92 PolarHBondContact NZ-OE1 3.2Å; K49-E92 IonicContact NZ-OE2 2.73Å; K49-E92 PolarHBondContact NZ-OE2 3.44Å; T73-E92 PolarHBondContact O-N 3.14Å; V74-E92 CarbonylContact C-O 3.58Å; V74-E92 WeakPolarHBondContact CA-O 3.35Å; V74-E92 HydrophobicContact CG1-CB 4.31Å; V74-E92 HydrophobicContact CG2-CB 4.16Å; A75-E92 PolarHBondContact N-O 2.82Å; A90-E92 VanDerWaalsContact CB-O 3.31Å; A90-E92 WeakPolarHBondContact CB-O 3.49Å |
| 93 | A | 98.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 40% | 0.397 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A75 V87 | A75-A93 CarbonylContact O-C 3.26Å; A75-A93 VanDerWaalsContact O-CA 3.24Å; A75-A93 WeakPolarHBondContact O-CA 3.39Å; V87-A93 HydrophobicContact CG1-CB 3.8Å |
| 94 | V | 98.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.9 | 179.2 | -176.7 | 0 | 0 | 0 | 0 | 110 | V74 A75 I76 H77 V96 A114 T118 | V74-V94 HydrophobicContact CG1-CG2 4.1Å; A75-V94 PolarHBondContact O-N 3.46Å; I76-V94 CarbonylContact C-O 3.55Å; I76-V94 WeakPolarHBondContact CA-O 3.45Å; H77-V94 PolarHBondContact CD2-O 2.81Å; H77-V94 PolarHBondContact N-O 3.15Å; V94-V96 PolarHBondContact O-N 3.44Å; V94-A114 HydrophobicContact CB-CB 4.1Å; V94-A114 HydrophobicContact CG1-CB 3.75Å; V94-A114 HydrophobicContact CG2-CB 4.41Å; V94-T118 HydrophobicContact CG2-CG2 3.71Å |
| 95 | C | 98.6 | Very high | 96.6 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 124.2 | 171.5 | -170.5 | 0 | 0 | 0 | 0 | 109.7 | H77 | H77-C95 PolarHBondContact NE2-N 2.97Å; H77-C95 CarbonylContact O-C 3.52Å; H77-C95 VanDerWaalsContact O-CA 3.28Å; H77-C95 WeakPolarHBondContact O-CA 3.44Å |
| 96 | V | 98.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 0 | -179 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | I76 H77 V94 A110 I111 A114 | I76-V96 HydrophobicContact CB-CG1 3.77Å; I76-V96 HydrophobicContact CB-CG2 4.16Å; I76-V96 HydrophobicContact CD1-CG2 4.3Å; I76-V96 HydrophobicContact CG1-CG2 4.47Å; I76-V96 HydrophobicContact CG2-CG1 3.88Å; H77-V96 WeakPolarHBondContact O-CG2 3.34Å; H77-V96 PolarHBondContact O-N 3.21Å; V94-V96 PolarHBondContact O-N 3.44Å; V96-A110 HydrophobicContact CB-CB 4.07Å; V96-A110 HydrophobicContact CG1-CB 4.49Å; V96-A110 WeakPolarHBondContact O-CB 3.39Å; V96-I111 HydrophobicContact CB-CG1 4.46Å; V96-I111 HydrophobicContact CG1-CG1 4.16Å; V96-A114 HydrophobicContact CG1-CB 4.32Å |
| 97 | G | 97.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -171.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S78 E79 | S78-G97 WeakPolarHBondContact CA-O 3.45Å; E79-G97 PolarHBondContact N-O 2.89Å; E79-G97 VanDerWaalsContact N-O 3.08Å |
| 98 | P | 97.2 | Very high | 96.7 | Very high | 49 Ų | 49 | 45.4 Ų | 45.4 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -64 | 169.2 | 178.1 | -23 | 35.5 | 0 | 0 | 0 | 113.8 | P100 S104 | P98-P100 VanDerWaalsContact C-CD 3.45Å; P98-S104 WeakPolarHBondContact O-CB 2.89Å; P98-S104 PolarHBondContact O-OG 3.34Å |
| 99 | S | 93.7 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -56 | -34.7 | -174.9 | -46.8 | 0 | 0 | 0 | 0 | 116.6 | A80 S101 Y428 Y429 | A80-S99 WeakPolarHBondContact CB-OG 3.44Å; S99-S101 PolarHBondContact O-N 3.35Å; S99-Y428 VanDerWaalsContact CB-CE2 3.46Å; S99-Y429 PolarHBondContact O-OH 3.03Å |
| 100 | P | 91.5 | Very high | 96.8 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -62.7 | 127.3 | 175.8 | -25.1 | 36.3 | 0 | 0 | 0 | 111.9 | P98 A102 Q103 S104 Y428 | P98-P100 VanDerWaalsContact C-CD 3.45Å; P100-A102 PolarHBondContact O-N 3.4Å; P100-A102 VanDerWaalsContact O-N 3.08Å; P100-Q103 HydrophobicContact CB-CG 4.47Å; P100-Q103 PolarHBondContact O-N 3.27Å; P100-S104 PolarHBondContact O-N 3.47Å; P100-S104 PolarHBondContact O-OG 3.4Å; P100-S104 VanDerWaalsContact O-OG 3.08Å; P100-Y428 HydrophobicContact CG-CE1 4.5Å |
| 101 | S | 91.6 | Very high | 96.8 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 15% | 0.147 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -54.5 | -35.3 | -176 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | S99 Q103 S104 Y105 L106 Y429 | S99-S101 PolarHBondContact O-N 3.35Å; S101-Q103 PolarHBondContact O-N 2.99Å; S101-S104 CarbonylContact O-C 3.45Å; S101-S104 PolarHBondContact O-N 3.39Å; S101-Y105 PolarHBondContact O-N 3.18Å; S101-Y105 VanDerWaalsContact O-N 3.14Å; S101-L106 WeakPolarHBondContact O-CB 3.45Å; S101-L106 PolarHBondContact O-N 3.33Å; S101-Y429 WeakPolarHBondContact OG-CE1 3.31Å |
| 102 | A | 91.6 | Very high | 96.8 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P100 | P100-A102 PolarHBondContact O-N 3.4Å; P100-A102 VanDerWaalsContact O-N 3.08Å |
| 103 | Q | 95.2 | Very high | 96.8 | Very high | 105 Ų | 105 | 41.7 Ų | 41.7 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -101.1 | -9.9 | -178.2 | -58.3 | -179.8 | 31.5 | 0 | 0 | 112.7 | P100 S101 N107 | P100-Q103 HydrophobicContact CB-CG 4.47Å; P100-Q103 PolarHBondContact O-N 3.27Å; S101-Q103 PolarHBondContact O-N 2.99Å; Q103-N107 PolarHBondContact O-ND2 3.21Å |
| 104 | S | 96.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -87 | -177.9 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | P98 P100 S101 L106 N107 | P98-S104 WeakPolarHBondContact O-CB 2.89Å; P98-S104 PolarHBondContact O-OG 3.34Å; P100-S104 PolarHBondContact O-N 3.47Å; P100-S104 PolarHBondContact O-OG 3.4Å; P100-S104 VanDerWaalsContact O-OG 3.08Å; S101-S104 CarbonylContact O-C 3.45Å; S101-S104 PolarHBondContact O-N 3.39Å; S104-L106 PolarHBondContact O-N 2.92Å; S104-N107 VanDerWaalsContact O-CB 3.23Å; S104-N107 WeakPolarHBondContact O-CB 3.37Å; S104-N107 PolarHBondContact O-N 2.72Å |
| 105 | Y | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19 | -172.5 | -67.3 | -72.7 | 0 | 0 | 0 | 115.1 | R55 I76 H77 S78 D81 S101 F129 Y429 | R55-Y105 HydrophobicContact CB-CE1 3.79Å; R55-Y105 HydrophobicContact CB-CE2 4.4Å; R55-Y105 WeakPolarHBondContact CB-OH 3.44Å; R55-Y105 HydrophobicContact CG-CE1 4.38Å; R55-Y105 HydrophobicContact CG-CE2 4.41Å; I76-Y105 HydrophobicContact CD1-CD1 4.13Å; I76-Y105 HydrophobicContact CD1-CE1 4.48Å; I76-Y105 HydrophobicContact CG1-CD1 4.29Å; I76-Y105 HydrophobicContact CG1-CE1 4.14Å; H77-Y105 WeakPolarHBondContact CA-OH 3.4Å; S78-Y105 PolarHBondContact N-OH 3.35Å; D81-Y105 WeakPolarHBondContact CB-OH 3.37Å; D81-Y105 VanDerWaalsContact CG-OH 3.31Å; D81-Y105 WeakPolarHBondContact OD2-CE2 3.44Å; D81-Y105 PolarHBondContact OD2-OH 3.12Å; S101-Y105 PolarHBondContact O-N 3.18Å; S101-Y105 VanDerWaalsContact O-N 3.14Å; Y105-F129 VanDerWaalsContact CB-CD1 3.46Å; Y105-F129 HydrophobicContact CD2-CE1 4.32Å; Y105-F129 HydrophobicContact CD2-CZ 4.25Å; Y105-F129 HydrophobicContact CG-CD1 4.38Å; Y105-F129 HydrophobicContact CG-CE1 4.09Å; Y105-F129 HydrophobicContact CG-CE2 4.38Å; Y105-F129 HydrophobicContact CG-CZ 4.09Å; Y105-Y429 AromaticContact CD2-CE1 3.76Å; Y105-Y429 HydrophobicContact CD2-CE1 3.76Å; Y105-Y429 AromaticContact CE2-CE1 3.77Å; Y105-Y429 HydrophobicContact CE2-CE1 3.77Å; Y105-Y429 AromaticContact CE2-CZ 3.72Å; Y105-Y429 WeakPolarHBondContact CE2-OH 3.36Å |
| 106 | L | 97 | Very high | 96.7 | Very high | 76 Ų | 76 | 40.8 Ų | 40.8 | 40% | 0.398 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 1.6 | 172.9 | -61.5 | 173.1 | 0 | 0 | 0 | 112.5 | S101 S104 I108 F129 L130 | S101-L106 WeakPolarHBondContact O-CB 3.45Å; S101-L106 PolarHBondContact O-N 3.33Å; S104-L106 PolarHBondContact O-N 2.92Å; L106-I108 PolarHBondContact O-N 3.49Å; L106-I108 VanDerWaalsContact O-N 3.1Å; L106-F129 HydrophobicContact CD2-CB 4.04Å; L106-F129 HydrophobicContact CD2-CD1 4.15Å; L106-F129 HydrophobicContact CG-CD1 4.31Å; L106-L130 HydrophobicContact CD2-CD2 4.21Å |
| 107 | N | 97.5 | Very high | 96.7 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | trans | -83.3 | 88 | -179.5 | -172.7 | -19.2 | 0 | 0 | 0 | 110.4 | Q103 S104 S109 A110 I111 | Q103-N107 PolarHBondContact O-ND2 3.21Å; S104-N107 VanDerWaalsContact O-CB 3.23Å; S104-N107 WeakPolarHBondContact O-CB 3.37Å; S104-N107 PolarHBondContact O-N 2.72Å; N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.84Å; N107-S109 PolarHBondContact OD1-N 2.78Å; N107-A110 HydrophobicContact CB-CB 4.04Å; N107-A110 VanDerWaalsContact CG-CB 3.49Å; N107-A110 PolarHBondContact O-N 3.3Å; N107-A110 PolarHBondContact OD1-N 3Å; N107-A110 VanDerWaalsContact OD1-N 3.07Å; N107-I111 WeakPolarHBondContact O-CG1 3.17Å; N107-I111 PolarHBondContact O-N 3Å; N107-I111 VanDerWaalsContact O-N 3.09Å | ||
| 108 | I | 98.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.8 | -47.8 | -180 | -69.3 | 172.3 | 0 | 0 | 0 | 111.3 | L106 A110 I111 L112 L130 F136 | L106-I108 PolarHBondContact O-N 3.49Å; L106-I108 VanDerWaalsContact O-N 3.1Å; I108-A110 PolarHBondContact O-N 3.14Å; I108-I111 PolarHBondContact O-N 3.37Å; I108-L112 HydrophobicContact CG2-CD1 3.63Å; I108-L112 HydrophobicContact CG2-CG 4.06Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.37Å; I108-L112 PolarHBondContact O-N 2.91Å; I108-L130 HydrophobicContact CD1-CD2 4.24Å; I108-L130 HydrophobicContact CG1-CD1 3.74Å; I108-L130 HydrophobicContact CG1-CD2 3.89Å; I108-L130 HydrophobicContact CG1-CG 4.5Å; I108-F136 HydrophobicContact CD1-CB 4.35Å; I108-F136 HydrophobicContact CG1-CB 4.37Å; I108-F136 HydrophobicContact CG1-CD2 4.28Å; I108-F136 HydrophobicContact CG2-CD2 4.1Å |
| 109 | S | 98.1 | Very high | 96.8 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 57% | 0.573 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | -176.7 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | N107 N113 | N107-S109 VanDerWaalsContact C-N 3.29Å; N107-S109 PolarHBondContact O-N 2.84Å; N107-S109 PolarHBondContact OD1-N 2.78Å; S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 VanDerWaalsContact O-CG 3.26Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 2.88Å |
| 110 | A | 98.4 | Very high | 97 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 19% | 0.19 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V96 N107 I108 N113 A114 | V96-A110 HydrophobicContact CB-CB 4.07Å; V96-A110 HydrophobicContact CG1-CB 4.49Å; V96-A110 WeakPolarHBondContact O-CB 3.39Å; N107-A110 HydrophobicContact CB-CB 4.04Å; N107-A110 VanDerWaalsContact CG-CB 3.49Å; N107-A110 PolarHBondContact O-N 3.3Å; N107-A110 PolarHBondContact OD1-N 3Å; N107-A110 VanDerWaalsContact OD1-N 3.07Å; I108-A110 PolarHBondContact O-N 3.14Å; A110-N113 PolarHBondContact O-N 3.47Å; A110-A114 PolarHBondContact O-N 3.46Å |
| 111 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 179.4 | -62.8 | 168.8 | 0 | 0 | 0 | 111 | L51 A53 I76 V96 N107 I108 N113 A114 V115 L130 F136 | L51-I111 HydrophobicContact CD2-CG2 4.33Å; A53-I111 HydrophobicContact CB-CG2 4.4Å; I76-I111 HydrophobicContact CD1-CD1 3.63Å; I76-I111 HydrophobicContact CD1-CG1 3.67Å; I76-I111 HydrophobicContact CD1-CG2 4.37Å; V96-I111 HydrophobicContact CB-CG1 4.46Å; V96-I111 HydrophobicContact CG1-CG1 4.16Å; N107-I111 WeakPolarHBondContact O-CG1 3.17Å; N107-I111 PolarHBondContact O-N 3Å; N107-I111 VanDerWaalsContact O-N 3.09Å; I108-I111 PolarHBondContact O-N 3.37Å; I111-N113 VanDerWaalsContact C-N 3.27Å; I111-N113 PolarHBondContact O-N 3.15Å; I111-A114 WeakPolarHBondContact O-CB 3.43Å; I111-A114 PolarHBondContact O-N 3.03Å; I111-A114 VanDerWaalsContact O-N 3.12Å; I111-V115 WeakPolarHBondContact O-CG2 3.32Å; I111-V115 PolarHBondContact O-N 3.1Å; I111-L130 HydrophobicContact CD1-CD1 3.64Å; I111-F136 HydrophobicContact CB-CE2 4.26Å; I111-F136 HydrophobicContact CG2-CE2 3.75Å; I111-F136 HydrophobicContact CG2-CZ 3.62Å |
| 112 | L | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 175.1 | -66.9 | 175.9 | 0 | 0 | 0 | 111.9 | I108 V115 K116 F136 E139 L140 M143 | I108-L112 HydrophobicContact CG2-CD1 3.63Å; I108-L112 HydrophobicContact CG2-CG 4.06Å; I108-L112 WeakPolarHBondContact O-CB 3.45Å; I108-L112 VanDerWaalsContact O-CG 3.28Å; I108-L112 WeakPolarHBondContact O-CG 3.37Å; I108-L112 PolarHBondContact O-N 2.91Å; L112-V115 PolarHBondContact O-N 3.43Å; L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.5Å; L112-K116 VanDerWaalsContact O-N 3.1Å; L112-F136 HydrophobicContact CD2-CD2 4.28Å; L112-F136 HydrophobicContact CD2-CE2 3.95Å; L112-F136 HydrophobicContact CG-CE2 4.37Å; L112-E139 HydrophobicContact CD1-CB 3.77Å; L112-E139 HydrophobicContact CD1-CG 4.2Å; L112-E139 HydrophobicContact CD2-CB 4.19Å; L112-L140 HydrophobicContact CD2-CD2 3.7Å; L112-L140 HydrophobicContact CD2-CG 4.13Å; L112-M143 HydrophobicContact CB-SD 4.3Å; L112-M143 HydrophobicContact CD2-SD 3.88Å; L112-M143 HydrophobicContact CG-SD 4.49Å |
| 113 | N | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 42 Ų | 42 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 172.8 | -73.1 | -20.2 | 0 | 0 | 0 | 112.1 | S109 A110 I111 V115 K116 S117 | S109-N113 WeakPolarHBondContact O-CB 3.49Å; S109-N113 VanDerWaalsContact O-CG 3.26Å; S109-N113 PolarHBondContact O-N 3.23Å; S109-N113 PolarHBondContact O-ND2 2.88Å; A110-N113 PolarHBondContact O-N 3.47Å; I111-N113 VanDerWaalsContact C-N 3.27Å; I111-N113 PolarHBondContact O-N 3.15Å; N113-V115 VanDerWaalsContact C-N 3.33Å; N113-V115 PolarHBondContact O-N 3.49Å; N113-K116 PolarHBondContact O-N 2.92Å; N113-S117 PolarHBondContact O-N 3.34Å; N113-S117 PolarHBondContact O-OG 3.34Å |
| 114 | A | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L51 I76 V94 V96 A110 I111 S117 T118 | L51-A114 HydrophobicContact CD1-CB 4.03Å; I76-A114 HydrophobicContact CG2-CB 4.33Å; V94-A114 HydrophobicContact CB-CB 4.1Å; V94-A114 HydrophobicContact CG1-CB 3.75Å; V94-A114 HydrophobicContact CG2-CB 4.41Å; V96-A114 HydrophobicContact CG1-CB 4.32Å; A110-A114 PolarHBondContact O-N 3.46Å; I111-A114 WeakPolarHBondContact O-CB 3.43Å; I111-A114 PolarHBondContact O-N 3.03Å; I111-A114 VanDerWaalsContact O-N 3.12Å; A114-S117 PolarHBondContact O-N 3.03Å; A114-S117 PolarHBondContact O-OG 3.3Å; A114-T118 WeakPolarHBondContact O-CB 3.43Å; A114-T118 WeakPolarHBondContact O-CG2 3.36Å; A114-T118 PolarHBondContact O-N 3.41Å; A114-T118 VanDerWaalsContact O-N 3.11Å; A114-T118 PolarHBondContact O-OG1 3.44Å |
| 115 | V | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 173.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L51 I111 L112 N113 S119 A120 V123 L140 M143 V145 | L51-V115 HydrophobicContact CD1-CG2 3.86Å; L51-V115 HydrophobicContact CD2-CG2 4.3Å; I111-V115 WeakPolarHBondContact O-CG2 3.32Å; I111-V115 PolarHBondContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 3.43Å; N113-V115 VanDerWaalsContact C-N 3.33Å; N113-V115 PolarHBondContact O-N 3.49Å; V115-S119 PolarHBondContact O-N 3.2Å; V115-S119 VanDerWaalsContact O-N 3.11Å; V115-A120 PolarHBondContact O-N 2.95Å; V115-V123 HydrophobicContact CG2-CG2 3.59Å; V115-L140 HydrophobicContact CG1-CD2 4.41Å; V115-L140 HydrophobicContact CG2-CD2 4.2Å; V115-M143 HydrophobicContact CB-CE 4.29Å; V115-M143 HydrophobicContact CG1-CE 3.84Å; V115-V145 HydrophobicContact CG1-CB 4.31Å; V115-V145 HydrophobicContact CG1-CG1 3.93Å; V115-V145 HydrophobicContact CG1-CG2 3.72Å |
| 116 | K | 98 | Very high | 98.3 | Very high | 125 Ų | 125 | 37.1 Ų | 37.1 | 54% | 0.543 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 178.5 | -69.7 | 172 | -173.4 | 174.4 | 0 | 112.5 | L112 N113 T118 S119 M143 | L112-K116 WeakPolarHBondContact O-CG 3.35Å; L112-K116 PolarHBondContact O-N 3.5Å; L112-K116 VanDerWaalsContact O-N 3.1Å; N113-K116 PolarHBondContact O-N 2.92Å; K116-T118 VanDerWaalsContact C-N 3.29Å; K116-T118 PolarHBondContact O-N 3.24Å; K116-S119 PolarHBondContact O-N 3.38Å; K116-M143 HydrophobicContact CD-CE 4.2Å; K116-M143 VanDerWaalsContact CE-SD 3.56Å; K116-M143 HydrophobicContact CG-CE 3.55Å |
| 117 | S | 98.1 | Very high | 98.3 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 60% | 0.601 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -69.9 | -27.1 | -174.6 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | N113 A114 | N113-S117 PolarHBondContact O-N 3.34Å; N113-S117 PolarHBondContact O-OG 3.34Å; A114-S117 PolarHBondContact O-N 3.03Å; A114-S117 PolarHBondContact O-OG 3.3Å |
| 118 | T | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 6% | 0.055 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -96.7 | -8.4 | 179.6 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | K49 V74 V94 A114 K116 A120 | K49-T118 VanDerWaalsContact CD-O 3.23Å; K49-T118 WeakPolarHBondContact CD-O 3.35Å; K49-T118 WeakPolarHBondContact CE-O 3.37Å; K49-T118 PolarHBondContact NZ-O 3.12Å; V74-T118 HydrophobicContact CG1-CG2 3.83Å; V74-T118 HydrophobicContact CG2-CG2 4.18Å; V94-T118 HydrophobicContact CG2-CG2 3.71Å; A114-T118 WeakPolarHBondContact O-CB 3.43Å; A114-T118 WeakPolarHBondContact O-CG2 3.36Å; A114-T118 PolarHBondContact O-N 3.41Å; A114-T118 VanDerWaalsContact O-N 3.11Å; A114-T118 PolarHBondContact O-OG1 3.44Å; K116-T118 VanDerWaalsContact C-N 3.29Å; K116-T118 PolarHBondContact O-N 3.24Å; T118-A120 PolarHBondContact O-N 3.06Å |
| 119 | S | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 34 Ų | 34 | 66% | 0.657 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 38.6 | -173.8 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | V115 K116 Q121 | V115-S119 PolarHBondContact O-N 3.2Å; V115-S119 VanDerWaalsContact O-N 3.11Å; K116-S119 PolarHBondContact O-N 3.38Å; S119-Q121 PolarHBondContact O-N 3.1Å |
| 120 | A | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | trans | -66.2 | 132.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L51 V115 T118 | L51-A120 HydrophobicContact CB-CB 3.67Å; V115-A120 PolarHBondContact O-N 2.95Å; T118-A120 PolarHBondContact O-N 3.06Å | ||
| 121 | Q | 98.6 | Very high | 97.6 | Very high | 66 Ų | 66 | 29.3 Ų | 29.3 | 31% | 0.308 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -85.9 | -22.6 | -178.1 | -66.5 | 173.6 | -31.9 | 0 | 0 | 112.4 | F47 K49 S119 V146 | F47-Q121 HydrophobicContact CD1-CB 3.91Å; K49-Q121 PolarHBondContact O-N 3.26Å; S119-Q121 PolarHBondContact O-N 3.1Å; Q121-V146 PolarHBondContact O-N 2.96Å |
| 122 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F47 V50 L51 V146 L148 | F47-A122 HydrophobicContact CD1-CB 3.92Å; F47-A122 HydrophobicContact CD2-CB 4.33Å; F47-A122 HydrophobicContact CE1-CB 3.73Å; F47-A122 HydrophobicContact CE2-CB 4.14Å; F47-A122 HydrophobicContact CG-CB 4.22Å; F47-A122 HydrophobicContact CZ-CB 3.83Å; V50-A122 WeakPolarHBondContact CA-O 3.4Å; V50-A122 HydrophobicContact CG2-CB 4.29Å; L51-A122 PolarHBondContact N-O 3.42Å; A122-V146 CarbonylContact C-O 3.54Å; A122-V146 WeakPolarHBondContact CA-O 3.27Å; A122-V146 HydrophobicContact CB-CB 3.86Å; A122-V146 HydrophobicContact CB-CG1 4.49Å; A122-V146 WeakPolarHBondContact CB-O 3.31Å; A122-L148 HydrophobicContact CB-CD1 3.9Å; A122-L148 HydrophobicContact CB-CD2 4.11Å; A122-L148 HydrophobicContact CB-CG 3.89Å |
| 123 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.3 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L51 A53 V115 P125 F136 L140 V145 V146 L148 | L51-V123 HydrophobicContact CB-CG2 4.38Å; L51-V123 HydrophobicContact CD2-CG1 3.99Å; L51-V123 HydrophobicContact CD2-CG2 4.2Å; L51-V123 CarbonylContact O-C 3.52Å; L51-V123 VanDerWaalsContact O-CA 3.25Å; L51-V123 WeakPolarHBondContact O-CA 3.37Å; A53-V123 HydrophobicContact CB-CG1 3.54Å; V115-V123 HydrophobicContact CG2-CG2 3.59Å; V123-P125 WeakPolarHBondContact O-CD 3.49Å; V123-F136 HydrophobicContact CG1-CE1 4.02Å; V123-F136 HydrophobicContact CG1-CZ 4.04Å; V123-L140 HydrophobicContact CB-CD1 3.81Å; V123-L140 HydrophobicContact CG1-CD1 4.27Å; V123-L140 HydrophobicContact CG2-CD1 3.91Å; V123-L140 HydrophobicContact CG2-CD2 3.74Å; V123-V145 HydrophobicContact CG2-CG1 3.95Å; V123-V146 PolarHBondContact N-O 2.88Å; V123-L148 WeakPolarHBondContact O-CB 3.4Å; V123-L148 PolarHBondContact O-N 3.18Å |
| 124 | H | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.4 | 170 | -157.5 | -60.8 | 0 | 0 | 0 | 110.1 | V50 L51 I52 A53 I62 G126 L148 M357 | V50-H124 HydrophobicContact CG1-CB 4.13Å; L51-H124 PolarHBondContact O-N 3.35Å; I52-H124 WeakPolarHBondContact CA-O 3.26Å; A53-H124 PolarHBondContact N-O 2.99Å; I62-H124 HydrophobicContact CD1-CB 4.21Å; I62-H124 WeakPolarHBondContact CD1-ND1 3.44Å; I62-H124 HydrophobicContact CG2-CB 3.87Å; H124-G126 PolarHBondContact ND1-N 3.1Å; H124-G126 VanDerWaalsContact ND1-N 3.15Å; H124-L148 HydrophobicContact CB-CB 4.26Å; H124-L148 HydrophobicContact CB-CD1 3.8Å; H124-M357 WeakPolarHBondContact NE2-CE 3.28Å |
| 125 | P | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -85.9 | -14.6 | -176.1 | 38.2 | -40.4 | 0 | 0 | 0 | 112.9 | N54 V123 Y127 F147 L148 | N54-P125 WeakPolarHBondContact CB-O 3.36Å; N54-P125 PolarHBondContact ND2-O 2.87Å; V123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-Y127 PolarHBondContact O-N 2.76Å; P125-F147 HydrophobicContact CB-CE2 3.85Å; P125-F147 HydrophobicContact CB-CZ 4.17Å; P125-F147 HydrophobicContact CG-CD2 4.46Å; P125-F147 HydrophobicContact CG-CE1 4.41Å; P125-F147 HydrophobicContact CG-CE2 3.61Å; P125-F147 HydrophobicContact CG-CZ 3.6Å; P125-L148 WeakPolarHBondContact CD-O 3.43Å | ||
| 126 | G | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | 63.8 | -122.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | H124 S131 | H124-G126 PolarHBondContact ND1-N 3.1Å; H124-G126 VanDerWaalsContact ND1-N 3.15Å; G126-S131 WeakPolarHBondContact O-CB 3.2Å | ||
| 127 | Y | 96.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 9% | 0.086 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -136.8 | 155.8 | 176.6 | 47 | -110.5 | 0 | 0 | 0 | 113.9 | N54 E57 I58 P125 S131 L338 V340 | N54-Y127 PolarHBondContact ND2-N 3.46Å; N54-Y127 VanDerWaalsContact ND2-N 3.2Å; N54-Y127 PolarHBondContact ND2-O 3.39Å; E57-Y127 PolarHBondContact OE1-OH 3.46Å; I58-Y127 HydrophobicContact CB-CD1 4.33Å; I58-Y127 HydrophobicContact CB-CE1 3.67Å; I58-Y127 HydrophobicContact CB-CE2 4.08Å; I58-Y127 HydrophobicContact CD1-CD1 4.2Å; I58-Y127 HydrophobicContact CD1-CE1 3.8Å; I58-Y127 HydrophobicContact CG1-CD1 3.94Å; I58-Y127 HydrophobicContact CG1-CE1 3.66Å; I58-Y127 HydrophobicContact CG2-CD2 4.36Å; I58-Y127 HydrophobicContact CG2-CE1 4.33Å; I58-Y127 HydrophobicContact CG2-CE2 3.89Å; P125-Y127 PolarHBondContact O-N 2.76Å; Y127-S131 WeakPolarHBondContact CA-OG 3.24Å; Y127-L338 VanDerWaalsContact CB-O 3.32Å; Y127-L338 WeakPolarHBondContact CB-O 3.33Å; Y127-V340 HydrophobicContact CD1-CG2 4.29Å; Y127-V340 HydrophobicContact CD2-CG2 3.96Å; Y127-V340 HydrophobicContact CE1-CB 4.29Å; Y127-V340 HydrophobicContact CE1-CG2 4.1Å; Y127-V340 HydrophobicContact CE2-CG2 3.76Å; Y127-V340 HydrophobicContact CG-CG2 4.21Å |
| 128 | G | 92.2 | Very high | 96.7 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 69.2 | -170.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L130 S131 | G128-L130 PolarHBondContact O-N 3.13Å; G128-L130 VanDerWaalsContact O-N 3.1Å; G128-S131 PolarHBondContact N-OG 2.97Å; G128-S131 VanDerWaalsContact O-CB 3.28Å; G128-S131 WeakPolarHBondContact O-CB 3.36Å; G128-S131 PolarHBondContact O-N 3.03Å; G128-S131 PolarHBondContact O-OG 2.85Å |
| 129 | F | 94.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 21% | 0.211 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | -113.8 | -175.4 | -54.1 | -65.7 | 0 | 0 | 0 | 113.2 | N54 R55 Y105 L106 | N54-F129 WeakPolarHBondContact OD1-CD2 3.38Å; N54-F129 VanDerWaalsContact OD1-CE2 3.25Å; N54-F129 WeakPolarHBondContact OD1-CE2 3.47Å; R55-F129 HydrophobicContact CG-CE2 4Å; R55-F129 HydrophobicContact CG-CZ 4.21Å; Y105-F129 VanDerWaalsContact CB-CD1 3.46Å; Y105-F129 HydrophobicContact CD2-CE1 4.32Å; Y105-F129 HydrophobicContact CD2-CZ 4.25Å; Y105-F129 HydrophobicContact CG-CD1 4.38Å; Y105-F129 HydrophobicContact CG-CE1 4.09Å; Y105-F129 HydrophobicContact CG-CE2 4.38Å; Y105-F129 HydrophobicContact CG-CZ 4.09Å; L106-F129 HydrophobicContact CD2-CB 4.04Å; L106-F129 HydrophobicContact CD2-CD1 4.15Å; L106-F129 HydrophobicContact CG-CD1 4.31Å |
| 130 | L | 96.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 8.9 | -177.1 | -59.6 | 177 | 0 | 0 | 0 | 113.7 | L106 I108 I111 G128 E132 N133 F136 | L106-L130 HydrophobicContact CD2-CD2 4.21Å; I108-L130 HydrophobicContact CD1-CD2 4.24Å; I108-L130 HydrophobicContact CG1-CD1 3.74Å; I108-L130 HydrophobicContact CG1-CD2 3.89Å; I108-L130 HydrophobicContact CG1-CG 4.5Å; I111-L130 HydrophobicContact CD1-CD1 3.64Å; G128-L130 PolarHBondContact O-N 3.13Å; G128-L130 VanDerWaalsContact O-N 3.1Å; L130-E132 PolarHBondContact O-N 3.43Å; L130-N133 HydrophobicContact CB-CB 4.1Å; L130-N133 HydrophobicContact CD2-CB 3.9Å; L130-N133 WeakPolarHBondContact O-CB 3.16Å; L130-N133 PolarHBondContact O-N 3.02Å; L130-N133 VanDerWaalsContact O-N 3.12Å; L130-F136 HydrophobicContact CB-CB 4.27Å; L130-F136 HydrophobicContact CB-CD1 3.66Å; L130-F136 HydrophobicContact CB-CE1 4.2Å; L130-F136 HydrophobicContact CB-CG 4.03Å; L130-F136 HydrophobicContact CD1-CB 4.39Å; L130-F136 HydrophobicContact CD1-CD1 4.12Å; L130-F136 HydrophobicContact CD1-CD2 3.93Å; L130-F136 HydrophobicContact CD1-CE1 4.37Å; L130-F136 HydrophobicContact CD1-CE2 4.2Å; L130-F136 HydrophobicContact CD1-CG 3.89Å; L130-F136 HydrophobicContact CD1-CZ 4.41Å |
| 131 | S | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.8 | -177.7 | 56 | 0 | 0 | 0 | 0 | 115.2 | G126 Y127 G128 F147 R337 | G126-S131 WeakPolarHBondContact O-CB 3.2Å; Y127-S131 WeakPolarHBondContact CA-OG 3.24Å; G128-S131 PolarHBondContact N-OG 2.97Å; G128-S131 VanDerWaalsContact O-CB 3.28Å; G128-S131 WeakPolarHBondContact O-CB 3.36Å; G128-S131 PolarHBondContact O-N 3.03Å; G128-S131 PolarHBondContact O-OG 2.85Å; S131-F147 WeakPolarHBondContact O-CZ 3.4Å; S131-R337 WeakPolarHBondContact OG-CD 3.47Å |
| 132 | E | 92.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 33.9 Ų | 33.9 | 34% | 0.341 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 21.4 | 176 | -60.5 | 177.5 | 99.3 | 0 | 0 | 110.8 | L130 T134 I155 T336 R337 | L130-E132 PolarHBondContact O-N 3.43Å; E132-T134 PolarHBondContact O-N 3.18Å; E132-I155 WeakPolarHBondContact O-CG2 3.49Å; E132-T336 PolarHBondContact OE1-N 2.99Å; E132-R337 HydrophobicContact CG-CB 4.01Å; E132-R337 HydrophobicContact CG-CG 3.71Å; E132-R337 IonicContact OE1-NE 3.77Å; E132-R337 VanDerWaalsContact OE2-CD 3.29Å; E132-R337 WeakPolarHBondContact OE2-CD 3.32Å; E132-R337 IonicContact OE2-CZ 2.82Å; E132-R337 IonicContact OE2-NE 3.66Å; E132-R337 PolarHBondContact OE2-NE 2.85Å; E132-R337 IonicContact OE2-NH2 3.77Å |
| 133 | N | 94.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | trans | -90.9 | 107.1 | -177.9 | -171.2 | -73.2 | 0 | 0 | 0 | 111 | L130 L135 F136 A137 | L130-N133 HydrophobicContact CB-CB 4.1Å; L130-N133 HydrophobicContact CD2-CB 3.9Å; L130-N133 WeakPolarHBondContact O-CB 3.16Å; L130-N133 PolarHBondContact O-N 3.02Å; L130-N133 VanDerWaalsContact O-N 3.12Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 2.82Å; N133-L135 WeakPolarHBondContact OD1-CB 3.25Å; N133-L135 PolarHBondContact OD1-N 3.18Å; N133-L135 VanDerWaalsContact OD1-N 3.14Å; N133-F136 HydrophobicContact CB-CB 4.02Å; N133-F136 PolarHBondContact O-N 2.91Å; N133-F136 PolarHBondContact OD1-N 2.87Å; N133-A137 PolarHBondContact O-N 3.01Å; N133-A137 VanDerWaalsContact O-N 3.15Å | ||
| 134 | T | 95 | Very high | 96.1 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.3 | -42.3 | 179.5 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | E132 A137 A138 I155 K156 | E132-T134 PolarHBondContact O-N 3.18Å; T134-A137 PolarHBondContact O-N 2.75Å; T134-A138 WeakPolarHBondContact O-CB 3.5Å; T134-A138 PolarHBondContact O-N 3.17Å; T134-I155 WeakPolarHBondContact OG1-CG2 3.24Å; T134-K156 HydrophobicContact CG2-CB 3.86Å; T134-K156 HydrophobicContact CG2-CG 4.41Å |
| 135 | L | 95.8 | Very high | 96.1 | Very high | 121 Ų | 121 | 44.4 Ų | 44.4 | 63% | 0.634 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65 | -43.7 | -177.9 | -64.5 | 176.3 | 0 | 0 | 0 | 110.7 | N133 A138 E139 | N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 PolarHBondContact O-N 2.82Å; N133-L135 WeakPolarHBondContact OD1-CB 3.25Å; N133-L135 PolarHBondContact OD1-N 3.18Å; N133-L135 VanDerWaalsContact OD1-N 3.14Å; L135-A138 PolarHBondContact O-N 2.66Å; L135-E139 WeakPolarHBondContact O-CG 3.16Å; L135-E139 PolarHBondContact O-N 2.8Å |
| 136 | F | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.8 | -176.9 | -121 | 0 | 0 | 0 | 112.2 | A53 I108 I111 L112 V123 L130 N133 A138 E139 L140 F147 | A53-F136 HydrophobicContact CB-CE1 4.38Å; A53-F136 HydrophobicContact CB-CZ 4.41Å; I108-F136 HydrophobicContact CD1-CB 4.35Å; I108-F136 HydrophobicContact CG1-CB 4.37Å; I108-F136 HydrophobicContact CG1-CD2 4.28Å; I108-F136 HydrophobicContact CG2-CD2 4.1Å; I111-F136 HydrophobicContact CB-CE2 4.26Å; I111-F136 HydrophobicContact CG2-CE2 3.75Å; I111-F136 HydrophobicContact CG2-CZ 3.62Å; L112-F136 HydrophobicContact CD2-CD2 4.28Å; L112-F136 HydrophobicContact CD2-CE2 3.95Å; L112-F136 HydrophobicContact CG-CE2 4.37Å; V123-F136 HydrophobicContact CG1-CE1 4.02Å; V123-F136 HydrophobicContact CG1-CZ 4.04Å; L130-F136 HydrophobicContact CB-CB 4.27Å; L130-F136 HydrophobicContact CB-CD1 3.66Å; L130-F136 HydrophobicContact CB-CE1 4.2Å; L130-F136 HydrophobicContact CB-CG 4.03Å; L130-F136 HydrophobicContact CD1-CB 4.39Å; L130-F136 HydrophobicContact CD1-CD1 4.12Å; L130-F136 HydrophobicContact CD1-CD2 3.93Å; L130-F136 HydrophobicContact CD1-CE1 4.37Å; L130-F136 HydrophobicContact CD1-CE2 4.2Å; L130-F136 HydrophobicContact CD1-CG 3.89Å; L130-F136 HydrophobicContact CD1-CZ 4.41Å; N133-F136 HydrophobicContact CB-CB 4.02Å; N133-F136 PolarHBondContact O-N 2.91Å; N133-F136 PolarHBondContact OD1-N 2.87Å; F136-A138 VanDerWaalsContact C-N 3.35Å; F136-A138 PolarHBondContact O-N 2.84Å; F136-E139 PolarHBondContact O-N 3.1Å; F136-L140 HydrophobicContact CD1-CD1 4.16Å; F136-L140 HydrophobicContact CE1-CD1 3.74Å; F136-L140 HydrophobicContact CE2-CD1 4.23Å; F136-L140 HydrophobicContact CE2-CG 4.34Å; F136-L140 HydrophobicContact CZ-CD1 3.78Å; F136-L140 HydrophobicContact CZ-CG 4.35Å; F136-L140 WeakPolarHBondContact O-CG 3.44Å; F136-L140 PolarHBondContact O-N 2.88Å; F136-L140 VanDerWaalsContact O-N 3.12Å; F136-F147 HydrophobicContact CD1-CD2 4.44Å; F136-F147 HydrophobicContact CD1-CE2 4.04Å; F136-F147 HydrophobicContact CE1-CD2 4.49Å; F136-F147 HydrophobicContact CE1-CE2 4.27Å |
| 137 | A | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N133 T134 E139 L140 E141 F147 I155 | N133-A137 PolarHBondContact O-N 3.01Å; N133-A137 VanDerWaalsContact O-N 3.15Å; T134-A137 PolarHBondContact O-N 2.75Å; A137-E139 PolarHBondContact O-N 3.44Å; A137-L140 PolarHBondContact O-N 2.75Å; A137-E141 WeakPolarHBondContact O-CG 3.44Å; A137-E141 PolarHBondContact O-N 3.4Å; A137-F147 HydrophobicContact CB-CB 4.46Å; A137-F147 HydrophobicContact CB-CD1 4.01Å; A137-F147 HydrophobicContact CB-CD2 4.27Å; A137-F147 HydrophobicContact CB-CE1 4.24Å; A137-F147 HydrophobicContact CB-CE2 4.47Å; A137-F147 HydrophobicContact CB-CG 4Å; A137-F147 HydrophobicContact CB-CZ 4.44Å; A137-I155 HydrophobicContact CB-CD1 3.75Å |
| 138 | A | 96.9 | Very high | 96.3 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -36.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T134 L135 F136 E141 K142 | T134-A138 WeakPolarHBondContact O-CB 3.5Å; T134-A138 PolarHBondContact O-N 3.17Å; L135-A138 PolarHBondContact O-N 2.66Å; F136-A138 VanDerWaalsContact C-N 3.35Å; F136-A138 PolarHBondContact O-N 2.84Å; A138-E141 PolarHBondContact O-N 2.8Å; A138-K142 WeakPolarHBondContact O-CG 3.25Å; A138-K142 PolarHBondContact O-N 3.47Å; A138-K142 VanDerWaalsContact O-N 3.1Å |
| 139 | E | 97.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 31% | 0.313 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.4 | -35.5 | 175.4 | -71.6 | -54.6 | 133.9 | 0 | 0 | 112.3 | L112 L135 F136 A137 K142 M143 | L112-E139 HydrophobicContact CD1-CB 3.77Å; L112-E139 HydrophobicContact CD1-CG 4.2Å; L112-E139 HydrophobicContact CD2-CB 4.19Å; L135-E139 WeakPolarHBondContact O-CG 3.16Å; L135-E139 PolarHBondContact O-N 2.8Å; F136-E139 PolarHBondContact O-N 3.1Å; A137-E139 PolarHBondContact O-N 3.44Å; E139-K142 PolarHBondContact O-N 2.86Å; E139-K142 IonicContact OE1-NZ 2.68Å; E139-K142 PolarHBondContact OE1-NZ 2.93Å; E139-M143 WeakPolarHBondContact O-CG 3.35Å; E139-M143 PolarHBondContact O-N 3.42Å |
| 140 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 172.7 | -68.9 | 171.3 | 0 | 0 | 0 | 111.8 | L112 V115 V123 F136 A137 K142 M143 N144 V145 F147 | L112-L140 HydrophobicContact CD2-CD2 3.7Å; L112-L140 HydrophobicContact CD2-CG 4.13Å; V115-L140 HydrophobicContact CG1-CD2 4.41Å; V115-L140 HydrophobicContact CG2-CD2 4.2Å; V123-L140 HydrophobicContact CB-CD1 3.81Å; V123-L140 HydrophobicContact CG1-CD1 4.27Å; V123-L140 HydrophobicContact CG2-CD1 3.91Å; V123-L140 HydrophobicContact CG2-CD2 3.74Å; F136-L140 HydrophobicContact CD1-CD1 4.16Å; F136-L140 HydrophobicContact CE1-CD1 3.74Å; F136-L140 HydrophobicContact CE2-CD1 4.23Å; F136-L140 HydrophobicContact CE2-CG 4.34Å; F136-L140 HydrophobicContact CZ-CD1 3.78Å; F136-L140 HydrophobicContact CZ-CG 4.35Å; F136-L140 WeakPolarHBondContact O-CG 3.44Å; F136-L140 PolarHBondContact O-N 2.88Å; F136-L140 VanDerWaalsContact O-N 3.12Å; A137-L140 PolarHBondContact O-N 2.75Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.87Å; L140-M143 CarbonylContact O-C 3.52Å; L140-M143 WeakPolarHBondContact O-CA 3.36Å; L140-M143 PolarHBondContact O-N 2.87Å; L140-N144 PolarHBondContact O-N 2.93Å; L140-V145 CarbonylContact C-O 3.56Å; L140-V145 HydrophobicContact CB-CB 4.4Å; L140-V145 HydrophobicContact CD2-CB 4.08Å; L140-V145 HydrophobicContact CD2-CG1 3.9Å; L140-V145 PolarHBondContact O-N 2.79Å; L140-V145 VanDerWaalsContact O-O 3.13Å; L140-F147 HydrophobicContact CD1-CB 4.2Å; L140-F147 HydrophobicContact CD1-CD2 3.75Å; L140-F147 HydrophobicContact CD1-CG 4.47Å |
| 141 | E | 94.4 | Very high | 96.4 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.4 | -46 | 174.4 | -72.6 | 167.9 | -177.6 | 0 | 0 | 111.2 | A137 A138 M143 N144 S152 | A137-E141 WeakPolarHBondContact O-CG 3.44Å; A137-E141 PolarHBondContact O-N 3.4Å; A138-E141 PolarHBondContact O-N 2.8Å; E141-M143 PolarHBondContact O-N 3.32Å; E141-N144 PolarHBondContact O-N 3.4Å; E141-S152 PolarHBondContact OE1-N 2.92Å; E141-S152 VanDerWaalsContact OE1-N 3.13Å; E141-S152 PolarHBondContact OE1-OG 3.44Å; E141-S152 PolarHBondContact OE2-OG 3.46Å |
| 142 | K | 96.2 | Very high | 96.3 | Very high | 144 Ų | 144 | 43 Ų | 43 | 63% | 0.626 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62.1 | -28.3 | 175.9 | -68.8 | 170.8 | -168.5 | 172.7 | 0 | 113.4 | A138 E139 L140 N144 | A138-K142 WeakPolarHBondContact O-CG 3.25Å; A138-K142 PolarHBondContact O-N 3.47Å; A138-K142 VanDerWaalsContact O-N 3.1Å; E139-K142 PolarHBondContact O-N 2.86Å; E139-K142 IonicContact OE1-NZ 2.68Å; E139-K142 PolarHBondContact OE1-NZ 2.93Å; L140-K142 VanDerWaalsContact C-N 3.33Å; L140-K142 PolarHBondContact O-N 2.87Å; K142-N144 VanDerWaalsContact C-N 3.31Å |
| 143 | M | 96 | Very high | 96.3 | Very high | 50 Ų | 50 | 48.5 Ų | 48.5 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.8 | 177.6 | -72 | 176.6 | 41.5 | 0 | 0 | 113.4 | L112 V115 K116 E139 L140 E141 V145 | L112-M143 HydrophobicContact CB-SD 4.3Å; L112-M143 HydrophobicContact CD2-SD 3.88Å; L112-M143 HydrophobicContact CG-SD 4.49Å; V115-M143 HydrophobicContact CB-CE 4.29Å; V115-M143 HydrophobicContact CG1-CE 3.84Å; K116-M143 HydrophobicContact CD-CE 4.2Å; K116-M143 VanDerWaalsContact CE-SD 3.56Å; K116-M143 HydrophobicContact CG-CE 3.55Å; E139-M143 WeakPolarHBondContact O-CG 3.35Å; E139-M143 PolarHBondContact O-N 3.42Å; L140-M143 CarbonylContact O-C 3.52Å; L140-M143 WeakPolarHBondContact O-CA 3.36Å; L140-M143 PolarHBondContact O-N 2.87Å; E141-M143 PolarHBondContact O-N 3.32Å; M143-V145 HydrophobicContact CB-CG2 4.11Å; M143-V145 HydrophobicContact CE-CG2 4.43Å; M143-V145 PolarHBondContact O-N 3.09Å |
| 144 | N | 96.4 | Very high | 96.3 | Very high | 156 Ų | 156 | 46.2 Ų | 46.2 | 83% | 0.834 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 34.9 | -170.3 | -60.1 | -53.1 | 0 | 0 | 0 | 113 | L140 E141 K142 | L140-N144 PolarHBondContact O-N 2.93Å; E141-N144 PolarHBondContact O-N 3.4Å; K142-N144 VanDerWaalsContact C-N 3.31Å |
| 145 | V | 98.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | trans | -108.9 | 128.4 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | V115 V123 L140 M143 F147 | V115-V145 HydrophobicContact CG1-CB 4.31Å; V115-V145 HydrophobicContact CG1-CG1 3.93Å; V115-V145 HydrophobicContact CG1-CG2 3.72Å; V123-V145 HydrophobicContact CG2-CG1 3.95Å; L140-V145 CarbonylContact C-O 3.56Å; L140-V145 HydrophobicContact CB-CB 4.4Å; L140-V145 HydrophobicContact CD2-CB 4.08Å; L140-V145 HydrophobicContact CD2-CG1 3.9Å; L140-V145 PolarHBondContact O-N 2.79Å; L140-V145 VanDerWaalsContact O-O 3.13Å; M143-V145 HydrophobicContact CB-CG2 4.11Å; M143-V145 HydrophobicContact CE-CG2 4.43Å; M143-V145 PolarHBondContact O-N 3.09Å; V145-F147 PolarHBondContact O-N 2.82Å | ||
| 146 | V | 98.4 | Very high | 96.2 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122.2 | -176.8 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | F47 Q121 A122 V123 L148 G361 | F47-V146 HydrophobicContact CE1-CB 4.23Å; F47-V146 HydrophobicContact CE1-CG2 4.06Å; F47-V146 HydrophobicContact CZ-CB 4.09Å; F47-V146 HydrophobicContact CZ-CG1 4.17Å; F47-V146 HydrophobicContact CZ-CG2 4.15Å; Q121-V146 PolarHBondContact O-N 2.96Å; A122-V146 CarbonylContact C-O 3.54Å; A122-V146 WeakPolarHBondContact CA-O 3.27Å; A122-V146 HydrophobicContact CB-CB 3.86Å; A122-V146 HydrophobicContact CB-CG1 4.49Å; A122-V146 WeakPolarHBondContact CB-O 3.31Å; V123-V146 PolarHBondContact N-O 2.88Å; V146-L148 HydrophobicContact CG1-CD2 4.03Å; V146-L148 PolarHBondContact O-N 3.44Å; V146-G361 WeakPolarHBondContact CG1-O 3.41Å |
| 147 | F | 98.4 | Very high | 95.9 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 117.7 | 163.3 | -176.6 | -106.6 | 0 | 0 | 0 | 109.3 | P125 S131 F136 A137 L140 V145 G149 P150 I155 | P125-F147 HydrophobicContact CB-CE2 3.85Å; P125-F147 HydrophobicContact CB-CZ 4.17Å; P125-F147 HydrophobicContact CG-CD2 4.46Å; P125-F147 HydrophobicContact CG-CE1 4.41Å; P125-F147 HydrophobicContact CG-CE2 3.61Å; P125-F147 HydrophobicContact CG-CZ 3.6Å; S131-F147 WeakPolarHBondContact O-CZ 3.4Å; F136-F147 HydrophobicContact CD1-CD2 4.44Å; F136-F147 HydrophobicContact CD1-CE2 4.04Å; F136-F147 HydrophobicContact CE1-CD2 4.49Å; F136-F147 HydrophobicContact CE1-CE2 4.27Å; A137-F147 HydrophobicContact CB-CB 4.46Å; A137-F147 HydrophobicContact CB-CD1 4.01Å; A137-F147 HydrophobicContact CB-CD2 4.27Å; A137-F147 HydrophobicContact CB-CE1 4.24Å; A137-F147 HydrophobicContact CB-CE2 4.47Å; A137-F147 HydrophobicContact CB-CG 4Å; A137-F147 HydrophobicContact CB-CZ 4.44Å; L140-F147 HydrophobicContact CD1-CB 4.2Å; L140-F147 HydrophobicContact CD1-CD2 3.75Å; L140-F147 HydrophobicContact CD1-CG 4.47Å; V145-F147 PolarHBondContact O-N 2.82Å; F147-G149 PolarHBondContact O-N 3.39Å; F147-P150 WeakPolarHBondContact CD1-O 3.35Å; F147-I155 HydrophobicContact CD1-CD1 4.35Å; F147-I155 HydrophobicContact CE1-CD1 3.68Å; F147-I155 HydrophobicContact CZ-CD1 4.22Å |
| 148 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -83 | 68.7 | 178.3 | -59.6 | 168.8 | 0 | 0 | 0 | 109.5 | F47 V50 A122 V123 H124 P125 V146 M357 L358 | F47-L148 HydrophobicContact CE2-CD2 3.76Å; F47-L148 HydrophobicContact CZ-CD2 4.14Å; V50-L148 HydrophobicContact CG1-CD1 3.73Å; V50-L148 HydrophobicContact CG2-CD1 4.3Å; A122-L148 HydrophobicContact CB-CD1 3.9Å; A122-L148 HydrophobicContact CB-CD2 4.11Å; A122-L148 HydrophobicContact CB-CG 3.89Å; V123-L148 WeakPolarHBondContact O-CB 3.4Å; V123-L148 PolarHBondContact O-N 3.18Å; H124-L148 HydrophobicContact CB-CB 4.26Å; H124-L148 HydrophobicContact CB-CD1 3.8Å; P125-L148 WeakPolarHBondContact CD-O 3.43Å; V146-L148 HydrophobicContact CG1-CD2 4.03Å; V146-L148 PolarHBondContact O-N 3.44Å; L148-M357 WeakPolarHBondContact O-CE 3.22Å; L148-L358 HydrophobicContact CD1-CD2 3.56Å; L148-L358 HydrophobicContact CD2-CD2 4.46Å |
| 149 | G | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -169.1 | -172.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 107 | F147 S315 | F147-G149 PolarHBondContact O-N 3.39Å; G149-S315 WeakPolarHBondContact O-CB 3.17Å |
| 150 | P | 95.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -67.8 | 157.5 | 175.8 | 28.1 | -35 | 0 | 0 | 0 | 112.2 | F147 A154 I155 Y313 D314 T336 | F147-P150 WeakPolarHBondContact CD1-O 3.35Å; P150-A154 HydrophobicContact CB-CB 4.2Å; P150-I155 HydrophobicContact CB-CG1 4.41Å; P150-I155 HydrophobicContact CG-CD1 4.33Å; P150-I155 HydrophobicContact CG-CG1 3.71Å; P150-I155 WeakPolarHBondContact O-CD1 3.11Å; P150-Y313 HydrophobicContact CB-CD1 4.49Å; P150-Y313 HydrophobicContact CB-CD2 3.97Å; P150-Y313 HydrophobicContact CB-CE1 4.05Å; P150-Y313 HydrophobicContact CB-CE2 3.47Å; P150-Y313 VanDerWaalsContact CB-CE2 3.47Å; P150-Y313 HydrophobicContact CB-CG 4.44Å; P150-Y313 HydrophobicContact CG-CE1 4.45Å; P150-Y313 HydrophobicContact CG-CE2 3.7Å; P150-Y313 VanDerWaalsContact CG-OH 3.31Å; P150-Y313 WeakPolarHBondContact CG-OH 3.49Å; P150-D314 WeakPolarHBondContact CA-O 3.25Å; P150-D314 WeakPolarHBondContact CA-OD1 3.41Å; P150-D314 WeakPolarHBondContact CB-O 3.33Å; P150-T336 VanDerWaalsContact CD-O 3.27Å; P150-T336 WeakPolarHBondContact CD-O 3.42Å; P150-T336 VanDerWaalsContact CG-O 3.27Å; P150-T336 WeakPolarHBondContact CG-O 3.26Å |
| 151 | N | 94.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | trans | -59.3 | 152.2 | 174.4 | 68.3 | 90.2 | 0 | 0 | 0 | 112.2 | R153 A154 I155 N312 D314 | N151-R153 PolarHBondContact O-N 2.91Å; N151-R153 VanDerWaalsContact O-N 3.08Å; N151-R153 WeakPolarHBondContact OD1-CB 3.3Å; N151-R153 PolarHBondContact OD1-N 3.19Å; N151-A154 PolarHBondContact O-N 2.94Å; N151-A154 PolarHBondContact OD1-N 3.3Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; N151-I155 PolarHBondContact O-N 3.38Å; N151-N312 PolarHBondContact ND2-O 2.87Å; N151-D314 WeakPolarHBondContact CB-OD1 3.12Å; N151-D314 PolarHBondContact N-OD1 3.32Å; N151-D314 PolarHBondContact ND2-OD1 3.23Å | ||
| 152 | S | 94.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.5 | -32.4 | -174.8 | 60.4 | 0 | 0 | 0 | 0 | 114.1 | E141 K156 | E141-S152 PolarHBondContact OE1-N 2.92Å; E141-S152 VanDerWaalsContact OE1-N 3.13Å; E141-S152 PolarHBondContact OE1-OG 3.44Å; E141-S152 PolarHBondContact OE2-OG 3.46Å; S152-K156 WeakPolarHBondContact O-CB 3.41Å; S152-K156 PolarHBondContact O-N 2.87Å; S152-K156 VanDerWaalsContact O-N 3.07Å |
| 153 | R | 93.2 | Very high | 92.3 | Very high | 189 Ų | 189 | 42.5 Ų | 42.5 | 71% | 0.713 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -68.4 | -43 | 177.7 | -62.5 | 178.9 | -71.8 | -177.8 | -3.8 | 112.1 | N151 K156 A157 | N151-R153 PolarHBondContact O-N 2.91Å; N151-R153 VanDerWaalsContact O-N 3.08Å; N151-R153 WeakPolarHBondContact OD1-CB 3.3Å; N151-R153 PolarHBondContact OD1-N 3.19Å; R153-K156 PolarHBondContact O-N 3.22Å; R153-A157 WeakPolarHBondContact O-CB 3.44Å; R153-A157 PolarHBondContact O-N 3.2Å |
| 154 | A | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | P150 N151 K156 A157 M158 V311 Y313 | P150-A154 HydrophobicContact CB-CB 4.2Å; N151-A154 PolarHBondContact O-N 2.94Å; N151-A154 PolarHBondContact OD1-N 3.3Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.25Å; A154-A157 PolarHBondContact O-N 2.78Å; A154-M158 WeakPolarHBondContact O-CB 3.3Å; A154-M158 PolarHBondContact O-N 2.85Å; A154-M158 VanDerWaalsContact O-N 3.08Å; A154-V311 HydrophobicContact CB-CB 4.45Å; A154-V311 HydrophobicContact CB-CG2 4.22Å; A154-Y313 HydrophobicContact CB-CD2 3.9Å; A154-Y313 HydrophobicContact CB-CE2 4.43Å |
| 155 | I | 94.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.1 | -48.3 | 173.5 | -61.5 | 173.7 | 0 | 0 | 0 | 110.3 | E132 T134 A137 F147 P150 N151 G159 | E132-I155 WeakPolarHBondContact O-CG2 3.49Å; T134-I155 WeakPolarHBondContact OG1-CG2 3.24Å; A137-I155 HydrophobicContact CB-CD1 3.75Å; F147-I155 HydrophobicContact CD1-CD1 4.35Å; F147-I155 HydrophobicContact CE1-CD1 3.68Å; F147-I155 HydrophobicContact CZ-CD1 4.22Å; P150-I155 HydrophobicContact CB-CG1 4.41Å; P150-I155 HydrophobicContact CG-CD1 4.33Å; P150-I155 HydrophobicContact CG-CG1 3.71Å; P150-I155 WeakPolarHBondContact O-CD1 3.11Å; N151-I155 PolarHBondContact O-N 3.38Å; I155-G159 PolarHBondContact O-N 3.46Å |
| 156 | K | 93.3 | Very high | 91 | Very high | 134 Ų | 134 | 41.2 Ų | 41.2 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.3 | -50.1 | -179.5 | -172.1 | -179.8 | 174.6 | -175.5 | 0 | 112 | T134 S152 R153 A154 M158 G159 | T134-K156 HydrophobicContact CG2-CB 3.86Å; T134-K156 HydrophobicContact CG2-CG 4.41Å; S152-K156 WeakPolarHBondContact O-CB 3.41Å; S152-K156 PolarHBondContact O-N 2.87Å; S152-K156 VanDerWaalsContact O-N 3.07Å; R153-K156 PolarHBondContact O-N 3.22Å; A154-K156 VanDerWaalsContact C-N 3.31Å; A154-K156 PolarHBondContact O-N 3.25Å; K156-M158 VanDerWaalsContact C-N 3.29Å; K156-M158 PolarHBondContact O-N 2.87Å; K156-G159 PolarHBondContact O-N 2.91Å |
| 157 | A | 92.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R153 A154 S164 I167 V311 | R153-A157 WeakPolarHBondContact O-CB 3.44Å; R153-A157 PolarHBondContact O-N 3.2Å; A154-A157 PolarHBondContact O-N 2.78Å; A157-S164 PolarHBondContact O-N 3.45Å; A157-I167 HydrophobicContact CB-CD1 3.83Å; A157-V311 HydrophobicContact CB-CG1 4.26Å |
| 158 | M | 92.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -89.2 | -18.7 | 180 | -67.5 | -66.2 | 102.2 | 0 | 0 | 113.5 | A154 K156 I167 L307 V311 M334 T336 | A154-M158 WeakPolarHBondContact O-CB 3.3Å; A154-M158 PolarHBondContact O-N 2.85Å; A154-M158 VanDerWaalsContact O-N 3.08Å; K156-M158 VanDerWaalsContact C-N 3.29Å; K156-M158 PolarHBondContact O-N 2.87Å; M158-I167 HydrophobicContact CE-CB 3.93Å; M158-I167 HydrophobicContact CE-CD1 3.68Å; M158-I167 HydrophobicContact CE-CG1 4.42Å; M158-I167 HydrophobicContact CE-CG2 3.97Å; M158-L307 HydrophobicContact CE-CD1 4.14Å; M158-L307 HydrophobicContact SD-CD1 4.12Å; M158-L307 HydrophobicContact SD-CD2 4.35Å; M158-L307 HydrophobicContact SD-CG 4.31Å; M158-V311 HydrophobicContact CE-CG1 3.64Å; M158-M334 HydrophobicContact CB-CB 4.27Å; M158-M334 HydrophobicContact CG-CB 4.15Å; M158-M334 HydrophobicContact CG-CG 4.35Å; M158-M334 HydrophobicContact CG-SD 3.8Å; M158-M334 HydrophobicContact SD-CB 3.86Å; M158-M334 HydrophobicContact SD-CG 4.43Å; M158-M334 HydrophobicContact SD-SD 3.83Å; M158-T336 HydrophobicContact CB-CG2 3.61Å; M158-T336 HydrophobicContact CG-CG2 4.23Å |
| 159 | G | 86.1 | Confident | 89.9 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 61% | 0.608 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -76.8 | -20.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I155 K156 | I155-G159 PolarHBondContact O-N 3.46Å; K156-G159 PolarHBondContact O-N 2.91Å |
| 160 | D | 82.5 | Confident | 89.7 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -95.7 | 122 | 172.3 | -177.1 | -54.1 | 0 | 0 | 0 | 109.7 | I162 E163 S164 R241 | D160-I162 VanDerWaalsContact C-N 3.28Å; D160-I162 PolarHBondContact O-N 3.34Å; D160-I162 WeakPolarHBondContact OD1-CA 3.35Å; D160-I162 WeakPolarHBondContact OD1-CB 3.21Å; D160-I162 PolarHBondContact OD1-N 3.4Å; D160-E163 HydrophobicContact CB-CB 3.98Å; D160-E163 PolarHBondContact O-N 3.46Å; D160-E163 PolarHBondContact OD1-N 2.91Å; D160-E163 VanDerWaalsContact OD1-N 3.1Å; D160-S164 VanDerWaalsContact O-CB 3.25Å; D160-S164 WeakPolarHBondContact O-CB 3.35Å; D160-S164 PolarHBondContact O-N 2.83Å; D160-S164 PolarHBondContact O-OG 2.71Å; D160-S164 VanDerWaalsContact O-OG 3.13Å; D160-R241 IonicContact OD2-CZ 3.25Å; D160-R241 IonicContact OD2-NH1 3.19Å; D160-R241 PolarHBondContact OD2-NH1 2.88Å; D160-R241 IonicContact OD2-NH2 2.72Å; D160-R241 PolarHBondContact OD2-NH2 3.43Å |
| 161 | K | 77.9 | Confident | 89.6 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 18% | 0.183 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -27.3 | -176.2 | -68.5 | 178.6 | -167.9 | 164.4 | 0 | 114.2 | S164 K165 A204 S205 G207 L243 | K161-S164 WeakPolarHBondContact CA-OG 3.33Å; K161-S164 PolarHBondContact O-OG 3.12Å; K161-K165 WeakPolarHBondContact O-CB 3.48Å; K161-K165 WeakPolarHBondContact O-CG 3.3Å; K161-K165 PolarHBondContact O-N 3.22Å; K161-A204 WeakPolarHBondContact CD-O 3.48Å; K161-A204 PolarHBondContact NZ-O 3.39Å; K161-S205 VanDerWaalsContact CB-O 3.25Å; K161-S205 WeakPolarHBondContact CB-O 3.5Å; K161-S205 VanDerWaalsContact CD-O 3.32Å; K161-S205 WeakPolarHBondContact CD-O 3.44Å; K161-S205 WeakPolarHBondContact CG-O 3.38Å; K161-S205 PolarHBondContact N-O 2.67Å; K161-G207 WeakPolarHBondContact CE-O 3.49Å; K161-G207 PolarHBondContact NZ-O 3.08Å; K161-L243 HydrophobicContact CB-CD1 3.79Å; K161-L243 HydrophobicContact CD-CD1 4.34Å |
| 162 | I | 80.2 | Confident | 89.5 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.9 | -46.8 | 177.6 | -57.2 | 177.5 | 0 | 0 | 0 | 108.8 | D160 R166 L243 | D160-I162 VanDerWaalsContact C-N 3.28Å; D160-I162 PolarHBondContact O-N 3.34Å; D160-I162 WeakPolarHBondContact OD1-CA 3.35Å; D160-I162 WeakPolarHBondContact OD1-CB 3.21Å; D160-I162 PolarHBondContact OD1-N 3.4Å; I162-R166 WeakPolarHBondContact O-CB 3.37Å; I162-R166 PolarHBondContact O-N 2.82Å; I162-R166 VanDerWaalsContact O-N 3.1Å; I162-L243 HydrophobicContact CG1-CD2 4.17Å |
| 163 | E | 85.1 | Confident | 89.6 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 177.8 | -168.5 | 172.5 | -179.8 | 0 | 0 | 111.3 | D160 K165 R166 I167 | D160-E163 HydrophobicContact CB-CB 3.98Å; D160-E163 PolarHBondContact O-N 3.46Å; D160-E163 PolarHBondContact OD1-N 2.91Å; D160-E163 VanDerWaalsContact OD1-N 3.1Å; E163-K165 PolarHBondContact O-N 2.99Å; E163-R166 WeakPolarHBondContact O-CB 3.23Å; E163-R166 PolarHBondContact O-N 2.76Å; E163-I167 HydrophobicContact CG-CD1 3.93Å; E163-I167 WeakPolarHBondContact O-CG1 3.48Å; E163-I167 PolarHBondContact O-N 3.02Å |
| 164 | S | 88.6 | Confident | 89.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | -178.1 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | A157 D160 K161 I167 A168 | A157-S164 PolarHBondContact O-N 3.45Å; D160-S164 VanDerWaalsContact O-CB 3.25Å; D160-S164 WeakPolarHBondContact O-CB 3.35Å; D160-S164 PolarHBondContact O-N 2.83Å; D160-S164 PolarHBondContact O-OG 2.71Å; D160-S164 VanDerWaalsContact O-OG 3.13Å; K161-S164 WeakPolarHBondContact CA-OG 3.33Å; K161-S164 PolarHBondContact O-OG 3.12Å; S164-I167 PolarHBondContact O-N 3.09Å; S164-A168 VanDerWaalsContact O-CB 3.31Å; S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 3.16Å |
| 165 | K | 85.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 172.3 | -82.3 | -179.1 | 171.9 | -161.9 | 0 | 113.2 | K161 E163 I167 A168 N169 E245 | K161-K165 WeakPolarHBondContact O-CB 3.48Å; K161-K165 WeakPolarHBondContact O-CG 3.3Å; K161-K165 PolarHBondContact O-N 3.22Å; E163-K165 PolarHBondContact O-N 2.99Å; K165-I167 PolarHBondContact O-N 3.3Å; K165-A168 PolarHBondContact O-N 3.33Å; K165-N169 WeakPolarHBondContact O-CB 3.41Å; K165-N169 PolarHBondContact O-N 3.03Å; K165-E245 WeakPolarHBondContact CE-OE1 3.47Å; K165-E245 VanDerWaalsContact NZ-CD 3.33Å; K165-E245 IonicContact NZ-OE1 2.69Å; K165-E245 PolarHBondContact NZ-OE1 2.98Å |
| 166 | R | 88.2 | Confident | 89.2 | Confident | 169 Ų | 169 | 52.8 Ų | 52.8 | 64% | 0.638 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.1 | -44.1 | 178.6 | -169.6 | -172.2 | -146.3 | 123.5 | 5.2 | 110.5 | I162 E163 Q170 | I162-R166 WeakPolarHBondContact O-CB 3.37Å; I162-R166 PolarHBondContact O-N 2.82Å; I162-R166 VanDerWaalsContact O-N 3.1Å; E163-R166 WeakPolarHBondContact O-CB 3.23Å; E163-R166 PolarHBondContact O-N 2.76Å; R166-Q170 VanDerWaalsContact O-CG 3.27Å; R166-Q170 WeakPolarHBondContact O-CG 3.46Å; R166-Q170 PolarHBondContact O-N 2.95Å |
| 167 | I | 92.1 | Very high | 88.8 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 11% | 0.113 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.1 | -42.4 | 177.7 | -64.1 | 165.1 | 0 | 0 | 0 | 110.6 | A157 M158 E163 S164 K165 N169 Q170 A171 L307 A310 V311 | A157-I167 HydrophobicContact CB-CD1 3.83Å; M158-I167 HydrophobicContact CE-CB 3.93Å; M158-I167 HydrophobicContact CE-CD1 3.68Å; M158-I167 HydrophobicContact CE-CG1 4.42Å; M158-I167 HydrophobicContact CE-CG2 3.97Å; E163-I167 HydrophobicContact CG-CD1 3.93Å; E163-I167 WeakPolarHBondContact O-CG1 3.48Å; E163-I167 PolarHBondContact O-N 3.02Å; S164-I167 PolarHBondContact O-N 3.09Å; K165-I167 PolarHBondContact O-N 3.3Å; I167-N169 PolarHBondContact O-N 2.72Å; I167-Q170 PolarHBondContact O-N 3.32Å; I167-A171 VanDerWaalsContact O-CB 3.29Å; I167-A171 WeakPolarHBondContact O-CB 3.47Å; I167-A171 PolarHBondContact O-N 2.81Å; I167-L307 HydrophobicContact CG2-CD1 3.91Å; I167-A310 HydrophobicContact CG2-CB 3.89Å; I167-V311 HydrophobicContact CD1-CG1 3.97Å; I167-V311 HydrophobicContact CG2-CG1 3.79Å |
| 168 | A | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S164 K165 Q170 A171 K172 V173 L307 F331 | S164-A168 VanDerWaalsContact O-CB 3.31Å; S164-A168 WeakPolarHBondContact O-CB 3.3Å; S164-A168 PolarHBondContact O-N 3.16Å; K165-A168 PolarHBondContact O-N 3.33Å; A168-Q170 PolarHBondContact O-N 2.83Å; A168-A171 CarbonylContact O-C 3.45Å; A168-A171 PolarHBondContact O-N 2.7Å; A168-K172 PolarHBondContact O-N 2.92Å; A168-K172 VanDerWaalsContact O-N 3.11Å; A168-V173 HydrophobicContact CB-CB 4.09Å; A168-V173 WeakPolarHBondContact O-CB 3.35Å; A168-V173 PolarHBondContact O-N 3.12Å; A168-L307 HydrophobicContact CB-CD1 4.22Å; A168-F331 HydrophobicContact CB-CD1 3.76Å; A168-F331 HydrophobicContact CB-CE1 3.93Å; A168-F331 HydrophobicContact CB-CG 4.29Å |
| 169 | N | 89.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 174 | -77.4 | -24.7 | 0 | 0 | 0 | 111.8 | K165 I167 A171 K172 C175 D180 | K165-N169 WeakPolarHBondContact O-CB 3.41Å; K165-N169 PolarHBondContact O-N 3.03Å; I167-N169 PolarHBondContact O-N 2.72Å; N169-A171 VanDerWaalsContact C-N 3.31Å; N169-A171 PolarHBondContact O-N 3.12Å; N169-K172 PolarHBondContact O-N 3.08Å; N169-C175 WeakPolarHBondContact OD1-CB 3.4Å; N169-C175 PolarHBondContact OD1-SG 2.8Å; N169-D180 PolarHBondContact ND2-OD1 2.85Å |
| 170 | Q | 91.1 | Very high | 87.2 | Confident | 139 Ų | 139 | 56.6 Ų | 56.6 | 65% | 0.65 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.6 | -36.6 | 175.8 | -73.7 | 173.1 | -1.4 | 0 | 0 | 112.5 | R166 I167 A168 K172 | R166-Q170 VanDerWaalsContact O-CG 3.27Å; R166-Q170 WeakPolarHBondContact O-CG 3.46Å; R166-Q170 PolarHBondContact O-N 2.95Å; I167-Q170 PolarHBondContact O-N 3.32Å; A168-Q170 PolarHBondContact O-N 2.83Å; Q170-K172 PolarHBondContact O-N 2.98Å |
| 171 | A | 93.7 | Very high | 87 | Confident | 11 Ų | 11 | 56.1 Ų | 56.1 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I167 A168 N169 V173 S306 A310 | I167-A171 VanDerWaalsContact O-CB 3.29Å; I167-A171 WeakPolarHBondContact O-CB 3.47Å; I167-A171 PolarHBondContact O-N 2.81Å; A168-A171 CarbonylContact O-C 3.45Å; A168-A171 PolarHBondContact O-N 2.7Å; N169-A171 VanDerWaalsContact C-N 3.31Å; N169-A171 PolarHBondContact O-N 3.12Å; A171-V173 HydrophobicContact CB-CG2 3.96Å; A171-V173 PolarHBondContact O-N 2.93Å; A171-S306 PolarHBondContact O-OG 3.43Å; A171-A310 HydrophobicContact CB-CB 4.04Å |
| 172 | K | 93.5 | Very high | 87.1 | Confident | 180 Ų | 180 | 58.2 Ų | 58.2 | 78% | 0.783 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 34.3 | -177.6 | -54.8 | -179.7 | -179.2 | 179.3 | 0 | 113.2 | A168 N169 Q170 | A168-K172 PolarHBondContact O-N 2.92Å; A168-K172 VanDerWaalsContact O-N 3.11Å; N169-K172 PolarHBondContact O-N 3.08Å; Q170-K172 PolarHBondContact O-N 2.98Å |
| 173 | V | 95.1 | Very high | 87.4 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | trans | -82 | 135.1 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | A168 A171 C175 Q303 L307 F321 F331 | A168-V173 HydrophobicContact CB-CB 4.09Å; A168-V173 WeakPolarHBondContact O-CB 3.35Å; A168-V173 PolarHBondContact O-N 3.12Å; A171-V173 HydrophobicContact CB-CG2 3.96Å; A171-V173 PolarHBondContact O-N 2.93Å; V173-C175 PolarHBondContact O-N 3.29Å; V173-C175 PolarHBondContact O-SG 2.89Å; V173-Q303 HydrophobicContact CG1-CB 4.39Å; V173-Q303 HydrophobicContact CG2-CB 4.3Å; V173-Q303 WeakPolarHBondContact CG2-O 3.38Å; V173-L307 HydrophobicContact CG2-CB 3.94Å; V173-F321 HydrophobicContact CG1-CE1 3.99Å; V173-F331 HydrophobicContact CG1-CB 3.75Å; V173-F331 HydrophobicContact CG1-CG 4.28Å | ||
| 174 | N | 93.3 | Very high | 87.5 | Confident | 67 Ų | 67 | 59 Ų | 59 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | trans | -62.2 | 111.3 | 177.9 | -67.5 | -17.8 | 0 | 0 | 0 | 109.4 | Q303 F329 Y330 F331 | N174-Q303 PolarHBondContact ND2-NE2 2.9Å; N174-F329 HydrophobicContact CB-CE2 4.4Å; N174-F329 WeakPolarHBondContact CB-O 3.48Å; N174-F329 VanDerWaalsContact ND2-CZ 3.35Å; N174-F329 WeakPolarHBondContact ND2-CZ 3.28Å; N174-Y330 CarbonylContact O-C 3.52Å; N174-Y330 WeakPolarHBondContact O-CA 3.3Å; N174-F331 WeakPolarHBondContact O-CB 2.81Å; N174-F331 PolarHBondContact O-N 3.07Å | ||
| 175 | C | 91.3 | Very high | 87.5 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 154.4 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 110.9 | N169 V173 Y330 | N169-C175 WeakPolarHBondContact OD1-CB 3.4Å; N169-C175 PolarHBondContact OD1-SG 2.8Å; V173-C175 PolarHBondContact O-N 3.29Å; V173-C175 PolarHBondContact O-SG 2.89Å; C175-Y330 WeakPolarHBondContact O-CD1 3.49Å |
| 176 | I | 88.9 | Confident | 87.6 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -60 | 129.7 | 174.5 | -57.7 | 170.7 | 0 | 0 | 0 | 108 | G178 E245 K246 I248 L322 Y330 | I176-G178 PolarHBondContact O-N 2.83Å; I176-G178 VanDerWaalsContact O-N 3.17Å; I176-E245 HydrophobicContact CG2-CB 3.88Å; I176-E245 HydrophobicContact CG2-CG 4.49Å; I176-K246 HydrophobicContact CG2-CB 4.29Å; I176-K246 WeakPolarHBondContact CG2-O 3.41Å; I176-I248 HydrophobicContact CG2-CD1 4.46Å; I176-L322 HydrophobicContact CD1-CD1 4.08Å; I176-Y330 VanDerWaalsContact CG1-CB 3.44Å; I176-Y330 HydrophobicContact CG1-CG 4.19Å |
| 177 | P | 85.3 | Confident | 87.8 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -54.1 | 124.8 | 174.8 | -25 | 33.8 | 0 | 0 | 0 | 110.1 | K246 Y330 | P177-K246 HydrophobicContact CB-CB 4.22Å; P177-K246 WeakPolarHBondContact O-CB 3.25Å; P177-K246 PolarHBondContact O-N 3.43Å; P177-Y330 HydrophobicContact CG-CE1 4.43Å |
| 178 | G | 84.3 | Confident | 87.8 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -176.3 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I176 I244 | I176-G178 PolarHBondContact O-N 2.83Å; I176-G178 VanDerWaalsContact O-N 3.17Å; G178-I244 WeakPolarHBondContact CA-O 3.37Å |
| 179 | Y | 80.7 | Confident | 87.7 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | trans | -83.6 | 127.9 | 174.9 | -175.2 | -114.5 | 0 | 0 | 0 | 110.3 | G181 E182 V183 I192 I244 | Y179-G181 VanDerWaalsContact C-N 3.27Å; Y179-G181 VanDerWaalsContact CD1-C 3.42Å; Y179-G181 WeakPolarHBondContact CD1-O 3.38Å; Y179-G181 WeakPolarHBondContact CE1-O 3.4Å; Y179-G181 PolarHBondContact O-N 2.83Å; Y179-E182 WeakPolarHBondContact CE1-O 3.18Å; Y179-V183 HydrophobicContact CD1-CG2 3.85Å; Y179-V183 HydrophobicContact CE1-CG2 4.39Å; Y179-I192 HydrophobicContact CD1-CD1 3.68Å; Y179-I192 HydrophobicContact CD2-CD1 3.86Å; Y179-I192 HydrophobicContact CD2-CG1 4.22Å; Y179-I192 HydrophobicContact CE1-CD1 3.92Å; Y179-I192 HydrophobicContact CE2-CD1 4.1Å; Y179-I192 HydrophobicContact CG-CD1 3.65Å; Y179-I192 HydrophobicContact CG-CG1 4.32Å; Y179-I192 HydrophobicContact CG-CG2 4.23Å; Y179-I244 PolarHBondContact N-O 3.02Å | ||
| 180 | D | 72.9 | Confident | 87.8 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -79.2 | -8.4 | -177.7 | -71.3 | -32.7 | 0 | 0 | 0 | 113.3 | N169 | N169-D180 PolarHBondContact ND2-OD1 2.85Š|
| 181 | G | 77.1 | Confident | 87.9 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 22% | 0.216 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -107.4 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y179 | Y179-G181 VanDerWaalsContact C-N 3.27Å; Y179-G181 VanDerWaalsContact CD1-C 3.42Å; Y179-G181 WeakPolarHBondContact CD1-O 3.38Å; Y179-G181 WeakPolarHBondContact CE1-O 3.4Å; Y179-G181 PolarHBondContact O-N 2.83Å |
| 182 | E | 81.6 | Confident | 87.8 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | trans | -82.3 | 134.1 | 169.9 | -179.5 | 179.7 | 165.7 | 0 | 0 | 110.4 | Y179 R241 | Y179-E182 WeakPolarHBondContact CE1-O 3.18Å; E182-R241 HydrophobicContact CG-CB 4.11Å; E182-R241 HydrophobicContact CG-CG 4.39Å; E182-R241 WeakPolarHBondContact OE2-CG 3.42Å | ||
| 183 | V | 85.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -86 | 117.2 | 179.6 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | Y179 G185 E188 A189 I192 Y226 M242 I244 | Y179-V183 HydrophobicContact CD1-CG2 3.85Å; Y179-V183 HydrophobicContact CE1-CG2 4.39Å; V183-G185 PolarHBondContact O-N 3.2Å; V183-E188 HydrophobicContact CG1-CB 4.44Å; V183-E188 HydrophobicContact CG1-CG 4.47Å; V183-A189 HydrophobicContact CG1-CB 3.71Å; V183-I192 HydrophobicContact CG1-CD1 4.25Å; V183-I192 HydrophobicContact CG2-CD1 3.84Å; V183-Y226 HydrophobicContact CB-CE2 3.98Å; V183-Y226 HydrophobicContact CG1-CD2 4.21Å; V183-Y226 HydrophobicContact CG1-CE2 3.72Å; V183-Y226 PolarHBondContact O-OH 3.36Å; V183-M242 PolarHBondContact N-O 3.08Å; V183-M242 VanDerWaalsContact N-O 3.12Å; V183-I244 HydrophobicContact CG1-CD1 4.1Å; V183-I244 HydrophobicContact CG2-CB 4.5Å; V183-I244 HydrophobicContact CG2-CD1 4.07Å; V183-I244 HydrophobicContact CG2-CG1 3.99Å | ||
| 184 | D | 86.8 | Confident | 87.5 | Confident | 129 Ų | 129 | 49.5 Ų | 49.5 | 69% | 0.69 | 27% | 0.274 | S | S | * | . | trans | -90.7 | 81.6 | 178.7 | -169.9 | 20.8 | 0 | 0 | 0 | 112 | E188 | D184-E188 WeakPolarHBondContact CA-OE2 3.36Å; D184-E188 VanDerWaalsContact CB-OE2 3.3Å; D184-E188 WeakPolarHBondContact CB-OE2 3.35Å; D184-E188 PolarHBondContact N-OE2 3.35Å; D184-E188 WeakPolarHBondContact O-CB 3.37Å | ||
| 185 | G | 88.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | 88.8 | 173.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V183 D187 E188 A189 Y226 | V183-G185 PolarHBondContact O-N 3.2Å; G185-D187 PolarHBondContact O-N 2.95Å; G185-E188 PolarHBondContact O-N 2.98Å; G185-A189 WeakPolarHBondContact O-CB 3.45Å; G185-A189 PolarHBondContact O-N 2.83Å; G185-Y226 PolarHBondContact N-OH 3.32Å |
| 186 | P | 88.4 | Confident | 87.3 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -31.2 | -172.4 | -21.8 | 33.7 | 0 | 0 | 0 | 114.9 | A190 R223 Y226 R227 | P186-A190 WeakPolarHBondContact O-CB 3.42Å; P186-A190 PolarHBondContact O-N 2.99Å; P186-R223 HydrophobicContact CB-CB 4.24Å; P186-R223 HydrophobicContact CB-CG 4.17Å; P186-Y226 HydrophobicContact CG-CD1 3.95Å; P186-Y226 HydrophobicContact CG-CE1 4.42Å; P186-R227 HydrophobicContact CG-CG 4.02Å |
| 187 | D | 91.5 | Very high | 87.3 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71.8 | -42.1 | 179.4 | -70.7 | -61 | 0 | 0 | 0 | 111.8 | G185 A190 R191 R223 | G185-D187 PolarHBondContact O-N 2.95Å; D187-A190 PolarHBondContact O-N 3.36Å; D187-R191 PolarHBondContact O-N 2.87Å; D187-R223 IonicContact OD1-CZ 3.17Å; D187-R223 IonicContact OD1-NH1 2.65Å; D187-R223 PolarHBondContact OD1-NH1 2.94Å; D187-R223 IonicContact OD1-NH2 2.82Å; D187-R223 PolarHBondContact OD1-NH2 3.19Å; D187-R223 IonicContact OD2-NH1 3.96Å |
| 188 | E | 92.4 | Very high | 87.5 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 173.1 | -173.2 | 168 | -121.8 | 0 | 0 | 111.4 | V183 D184 G185 A190 R191 I192 | V183-E188 HydrophobicContact CG1-CB 4.44Å; V183-E188 HydrophobicContact CG1-CG 4.47Å; D184-E188 WeakPolarHBondContact CA-OE2 3.36Å; D184-E188 VanDerWaalsContact CB-OE2 3.3Å; D184-E188 WeakPolarHBondContact CB-OE2 3.35Å; D184-E188 PolarHBondContact N-OE2 3.35Å; D184-E188 WeakPolarHBondContact O-CB 3.37Å; G185-E188 PolarHBondContact O-N 2.98Å; E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 2.69Å; E188-R191 PolarHBondContact O-N 2.87Å; E188-R191 IonicContact OE1-NH2 3.71Å; E188-I192 HydrophobicContact CG-CD1 3.68Å; E188-I192 HydrophobicContact CG-CG1 4.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 3Å |
| 189 | A | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53.7 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V183 G185 A193 V222 Y226 I244 | V183-A189 HydrophobicContact CG1-CB 3.71Å; G185-A189 WeakPolarHBondContact O-CB 3.45Å; G185-A189 PolarHBondContact O-N 2.83Å; A189-A193 VanDerWaalsContact O-CB 3.23Å; A189-A193 WeakPolarHBondContact O-CB 3.11Å; A189-A193 PolarHBondContact O-N 3.45Å; A189-V222 HydrophobicContact CB-CG1 3.75Å; A189-Y226 HydrophobicContact CB-CD2 3.84Å; A189-Y226 HydrophobicContact CB-CG 4.18Å; A189-I244 VanDerWaalsContact CA-CD1 3.46Å; A189-I244 HydrophobicContact CB-CD1 3.5Å |
| 190 | A | 91.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P186 D187 E188 A193 A194 E219 R223 | P186-A190 WeakPolarHBondContact O-CB 3.42Å; P186-A190 PolarHBondContact O-N 2.99Å; D187-A190 PolarHBondContact O-N 3.36Å; E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 2.69Å; A190-A193 PolarHBondContact O-N 2.93Å; A190-A194 WeakPolarHBondContact O-CB 3.29Å; A190-A194 PolarHBondContact O-N 3.15Å; A190-E219 HydrophobicContact CB-CG 3.68Å; A190-R223 HydrophobicContact CB-CG 4.37Å |
| 191 | R | 93.1 | Very high | 89.3 | Confident | 155 Ų | 155 | 47.5 Ų | 47.5 | 59% | 0.585 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | 177.7 | -70.3 | -174.8 | -61.3 | 163.9 | 6.4 | 111.7 | D187 E188 A193 A194 E195 | D187-R191 PolarHBondContact O-N 2.87Å; E188-R191 PolarHBondContact O-N 2.87Å; E188-R191 IonicContact OE1-NH2 3.71Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.03Å; R191-A194 WeakPolarHBondContact O-CB 3.27Å; R191-A194 PolarHBondContact O-N 3.01Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 2.78Å |
| 192 | I | 91.3 | Very high | 89.8 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 178.3 | -71.1 | 169.6 | 0 | 0 | 0 | 110.8 | Y179 V183 E188 A194 E195 I196 I244 | Y179-I192 HydrophobicContact CD1-CD1 3.68Å; Y179-I192 HydrophobicContact CD2-CD1 3.86Å; Y179-I192 HydrophobicContact CD2-CG1 4.22Å; Y179-I192 HydrophobicContact CE1-CD1 3.92Å; Y179-I192 HydrophobicContact CE2-CD1 4.1Å; Y179-I192 HydrophobicContact CG-CD1 3.65Å; Y179-I192 HydrophobicContact CG-CG1 4.32Å; Y179-I192 HydrophobicContact CG-CG2 4.23Å; V183-I192 HydrophobicContact CG1-CD1 4.25Å; V183-I192 HydrophobicContact CG2-CD1 3.84Å; E188-I192 HydrophobicContact CG-CD1 3.68Å; E188-I192 HydrophobicContact CG-CG1 4.26Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 3Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.39Å; I192-E195 PolarHBondContact O-N 3.39Å; I192-I196 HydrophobicContact CG2-CD1 3.62Å; I192-I196 HydrophobicContact CG2-CG1 4.41Å; I192-I196 WeakPolarHBondContact O-CG1 3.44Å; I192-I196 PolarHBondContact O-N 2.97Å; I192-I244 HydrophobicContact CG2-CB 4.14Å; I192-I244 HydrophobicContact CG2-CG2 4.26Å |
| 193 | A | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | A189 A190 R191 G197 Y198 V200 V222 | A189-A193 VanDerWaalsContact O-CB 3.23Å; A189-A193 WeakPolarHBondContact O-CB 3.11Å; A189-A193 PolarHBondContact O-N 3.45Å; A190-A193 PolarHBondContact O-N 2.93Å; R191-A193 VanDerWaalsContact C-N 3.32Å; R191-A193 PolarHBondContact O-N 3.03Å; A193-G197 WeakPolarHBondContact O-CA 3.48Å; A193-G197 PolarHBondContact O-N 2.83Å; A193-Y198 HydrophobicContact CB-CE1 3.91Å; A193-V200 HydrophobicContact CB-CG1 4.12Å; A193-V200 HydrophobicContact CB-CG2 3.83Å; A193-V222 HydrophobicContact CB-CB 4.49Å; A193-V222 HydrophobicContact CB-CG1 4.15Å; A193-V222 HydrophobicContact CB-CG2 3.68Å |
| 194 | A | 91.1 | Very high | 89.9 | Confident | 63 Ų | 63 | 43.3 Ų | 43.3 | 52% | 0.521 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A190 R191 I192 G197 | A190-A194 WeakPolarHBondContact O-CB 3.29Å; A190-A194 PolarHBondContact O-N 3.15Å; R191-A194 WeakPolarHBondContact O-CB 3.27Å; R191-A194 PolarHBondContact O-N 3.01Å; I192-A194 VanDerWaalsContact C-N 3.31Å; I192-A194 PolarHBondContact O-N 3.39Å; A194-G197 PolarHBondContact O-N 3.08Å |
| 195 | E | 91.4 | Very high | 89.5 | Confident | 163 Ų | 163 | 37.1 Ų | 37.1 | 76% | 0.762 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -68.2 | -41 | 175.6 | -70.5 | 174.6 | -169 | 0 | 0 | 112.6 | R191 I192 | R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 2.78Å; I192-E195 PolarHBondContact O-N 3.39Å |
| 196 | I | 89.8 | Confident | 88.6 | Confident | 39 Ų | 39 | 38 Ų | 38 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -70.6 | -34.4 | 175.5 | -65.4 | 164.6 | 0 | 0 | 0 | 111.3 | I192 V200 I244 K246 | I192-I196 HydrophobicContact CG2-CD1 3.62Å; I192-I196 HydrophobicContact CG2-CG1 4.41Å; I192-I196 WeakPolarHBondContact O-CG1 3.44Å; I192-I196 PolarHBondContact O-N 2.97Å; I196-V200 HydrophobicContact CB-CG1 4.21Å; I196-V200 HydrophobicContact CG2-CG1 3.96Å; I196-I244 HydrophobicContact CD1-CG2 3.87Å; I196-K246 HydrophobicContact CG2-CB 3.73Å; I196-K246 HydrophobicContact CG2-CD 3.82Å; I196-K246 HydrophobicContact CG2-CG 4.39Å |
| 197 | G | 89.5 | Confident | 87.5 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | trans | 83.3 | 144.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A193 A194 V200 K246 | A193-G197 WeakPolarHBondContact O-CA 3.48Å; A193-G197 PolarHBondContact O-N 2.83Å; A194-G197 PolarHBondContact O-N 3.08Å; G197-V200 WeakPolarHBondContact O-CG1 3.35Å; G197-K246 VanDerWaalsContact C-NZ 3.31Å; G197-K246 WeakPolarHBondContact O-CD 3.42Å; G197-K246 PolarHBondContact O-NZ 2.68Å | ||
| 198 | Y | 89.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 36 Ų | 36 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -76.7 | 157.5 | -177.2 | -59.5 | -75.4 | 0 | 0 | 0 | 114.1 | A193 V200 W217 E219 V222 K246 | A193-Y198 HydrophobicContact CB-CE1 3.91Å; Y198-V200 HydrophobicContact CD1-CG2 4.38Å; Y198-V200 HydrophobicContact CE1-CG2 4.49Å; Y198-W217 VanDerWaalsContact CB-O 3.25Å; Y198-W217 WeakPolarHBondContact CB-O 3.3Å; Y198-E219 WeakPolarHBondContact OH-CA 3.44Å; Y198-E219 PolarHBondContact OH-N 3.05Å; Y198-V222 HydrophobicContact CE1-CG2 3.73Å; Y198-K246 VanDerWaalsContact C-NZ 3.34Å; Y198-K246 PolarHBondContact O-NZ 2.81Å |
| 199 | P | 92 | Very high | 84.4 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | S | Bend | cis | -69.5 | 155.3 | -13.6 | 28.8 | -34.5 | 0 | 0 | 0 | 112.6 | I215 A216 W217 F247 | P199-I215 HydrophobicContact CB-CG2 4.23Å; P199-A216 WeakPolarHBondContact CA-O 3.48Å; P199-W217 HydrophobicContact CB-CD2 3.86Å; P199-W217 HydrophobicContact CB-CE3 3.65Å; P199-W217 HydrophobicContact CB-CG 4.43Å; P199-W217 HydrophobicContact CB-CH2 4.37Å; P199-W217 HydrophobicContact CB-CZ3 3.93Å; P199-W217 HydrophobicContact CG-CD2 4.44Å; P199-W217 HydrophobicContact CG-CE3 3.82Å; P199-W217 HydrophobicContact CG-CH2 4Å; P199-W217 HydrophobicContact CG-CZ3 3.58Å; P199-F247 HydrophobicContact CB-CB 4.03Å; P199-F247 HydrophobicContact CB-CD1 4.29Å; P199-F247 HydrophobicContact CB-CG 4.45Å; P199-F247 HydrophobicContact CG-CB 3.98Å; P199-F247 HydrophobicContact CG-CD1 3.7Å; P199-F247 HydrophobicContact CG-CG 4.24Å; P199-F247 WeakPolarHBondContact O-CB 3.37Å; P199-F247 PolarHBondContact O-N 3.36Å; P199-F247 VanDerWaalsContact O-N 3.1Å |
| 200 | V | 92.4 | Very high | 83 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 156.5 | 174.7 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | A193 I196 G197 Y198 I215 A216 V222 I244 E245 | A193-V200 HydrophobicContact CB-CG1 4.12Å; A193-V200 HydrophobicContact CB-CG2 3.83Å; I196-V200 HydrophobicContact CB-CG1 4.21Å; I196-V200 HydrophobicContact CG2-CG1 3.96Å; G197-V200 WeakPolarHBondContact O-CG1 3.35Å; Y198-V200 HydrophobicContact CD1-CG2 4.38Å; Y198-V200 HydrophobicContact CE1-CG2 4.49Å; V200-I215 WeakPolarHBondContact O-CA 3.32Å; V200-A216 HydrophobicContact CG2-CB 4.12Å; V200-A216 PolarHBondContact N-O 2.83Å; V200-A216 PolarHBondContact O-N 2.84Å; V200-V222 HydrophobicContact CG2-CG2 3.65Å; V200-I244 HydrophobicContact CB-CG2 3.98Å; V200-I244 HydrophobicContact CG1-CG2 4.39Å; V200-I244 HydrophobicContact CG2-CG2 4.13Å; V200-E245 CarbonylContact C-O 3.34Å; V200-E245 VanDerWaalsContact CA-O 3.26Å; V200-E245 WeakPolarHBondContact CA-O 3.49Å; V200-E245 WeakPolarHBondContact CB-O 3.46Å |
| 201 | M | 89.8 | Confident | 81.7 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.2 | 172.4 | -172.6 | 74.1 | 85.4 | 0 | 0 | 109.2 | K203 M213 R214 I215 I244 E245 F247 | M201-K203 HydrophobicContact CG-CD 4.19Å; M201-K203 VanDerWaalsContact CG-CE 3.49Å; M201-K203 HydrophobicContact CG-CG 3.66Å; M201-M213 HydrophobicContact CE-CE 3.98Å; M201-M213 HydrophobicContact CG-CE 4.15Å; M201-M213 HydrophobicContact SD-CB 4.49Å; M201-M213 HydrophobicContact SD-CE 4.03Å; M201-R214 VanDerWaalsContact SD-C 3.6Å; M201-R214 VanDerWaalsContact SD-O 3.39Å; M201-I215 HydrophobicContact CE-CD1 4.29Å; M201-I215 HydrophobicContact CE-CG1 3.66Å; M201-I215 HydrophobicContact SD-CG1 3.63Å; M201-I244 WeakPolarHBondContact O-CA 3.49Å; M201-E245 PolarHBondContact N-O 3.43Å; M201-E245 PolarHBondContact O-N 3.4Å; M201-F247 HydrophobicContact CE-CD2 3.58Å; M201-F247 HydrophobicContact CE-CE2 3.69Å |
| 202 | I | 88.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126 | 172.6 | -57.5 | 171.9 | 0 | 0 | 0 | 107.3 | M213 R214 A216 V222 M242 L243 I244 | I202-M213 VanDerWaalsContact O-CA 3.25Å; I202-M213 WeakPolarHBondContact O-CA 3.48Å; I202-R214 PolarHBondContact N-O 3.45Å; I202-R214 PolarHBondContact O-N 3.4Å; I202-A216 HydrophobicContact CD1-CB 4.38Å; I202-V222 HydrophobicContact CD1-CB 4.5Å; I202-V222 HydrophobicContact CD1-CG1 4.32Å; I202-V222 WeakPolarHBondContact CD1-O 3.24Å; I202-M242 HydrophobicContact CG2-CE 3.48Å; I202-M242 VanDerWaalsContact CG2-CE 3.48Å; I202-L243 WeakPolarHBondContact CA-O 3.43Å; I202-I244 HydrophobicContact CG1-CG1 4.25Å |
| 203 | K | 85.3 | Confident | 80 | Confident | 19 Ų | 19 | 37.3 Ų | 37.3 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.6 | -175.4 | -57.6 | -174.2 | -179.3 | 168.2 | 0 | 112.2 | M201 M213 M242 L243 E245 | M201-K203 HydrophobicContact CG-CD 4.19Å; M201-K203 VanDerWaalsContact CG-CE 3.49Å; M201-K203 HydrophobicContact CG-CG 3.66Å; K203-M213 HydrophobicContact CB-CG 4.21Å; K203-M213 HydrophobicContact CD-CE 4.05Å; K203-M213 HydrophobicContact CD-SD 4.29Å; K203-M213 HydrophobicContact CG-CE 4.07Å; K203-M213 HydrophobicContact CG-CG 3.96Å; K203-M213 HydrophobicContact CG-SD 4.22Å; K203-M242 VanDerWaalsContact C-CE 3.47Å; K203-M242 WeakPolarHBondContact O-CE 3.28Å; K203-L243 PolarHBondContact N-O 3.16Å; K203-L243 PolarHBondContact O-N 3.09Å; K203-E245 WeakPolarHBondContact CD-OE2 3.49Å; K203-E245 WeakPolarHBondContact CE-OE2 3.4Å; K203-E245 IonicContact NZ-OE2 3.68Å; K203-E245 PolarHBondContact NZ-OE2 3.49Å |
| 204 | A | 83 | Confident | 79.6 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 142.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K161 T206 G212 A233 M242 | K161-A204 WeakPolarHBondContact CD-O 3.48Å; K161-A204 PolarHBondContact NZ-O 3.39Å; A204-T206 VanDerWaalsContact C-N 3.26Å; A204-T206 WeakPolarHBondContact CB-O 3.23Å; A204-T206 PolarHBondContact O-N 2.81Å; A204-G212 PolarHBondContact N-O 3.17Å; A204-G212 VanDerWaalsContact N-O 3.1Å; A204-A233 HydrophobicContact CB-CB 3.67Å; A204-M242 HydrophobicContact CB-SD 4.4Å |
| 205 | S | 78.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -60.3 | -33 | 176.4 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | K161 D239 R241 | K161-S205 VanDerWaalsContact CB-O 3.25Å; K161-S205 WeakPolarHBondContact CB-O 3.5Å; K161-S205 VanDerWaalsContact CD-O 3.32Å; K161-S205 WeakPolarHBondContact CD-O 3.44Å; K161-S205 WeakPolarHBondContact CG-O 3.38Å; K161-S205 PolarHBondContact N-O 2.67Å; S205-D239 PolarHBondContact OG-OD1 2.63Å; S205-D239 PolarHBondContact OG-OD2 2.69Å; S205-R241 WeakPolarHBondContact CB-O 3.45Å; S205-R241 PolarHBondContact N-O 3.48Å; S205-R241 PolarHBondContact OG-O 3.38Å |
| 206 | T | 70 | Confident | 79.4 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -120 | 161.5 | -180 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | A204 D239 | A204-T206 VanDerWaalsContact C-N 3.26Å; A204-T206 WeakPolarHBondContact CB-O 3.23Å; A204-T206 PolarHBondContact O-N 2.81Å; T206-D239 HydrophobicContact CG2-CB 4.15Å; T206-D239 WeakPolarHBondContact CG2-OD2 3.39Å; T206-D239 WeakPolarHBondContact OG1-CB 3.37Å |
| 207 | G | 65 | Low | 79.4 | Confident | 33 Ų | 33 | 39.3 Ų | 39.3 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | trans | 87.9 | 168.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K161 | K161-G207 WeakPolarHBondContact CE-O 3.49Å; K161-G207 PolarHBondContact NZ-O 3.08Å | ||
| 208 | G | 62.3 | Low | 79.6 | Confident | 45 Ų | 45 | 41.6 Ų | 41.6 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | trans | -145 | -177.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G210 | G208-G210 PolarHBondContact O-N 2.9Š| ||
| 209 | G | 58.3 | Low | 79.9 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 64% | 0.639 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 19.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K211 | G209-K211 VanDerWaalsContact C-N 3.32Å; G209-K211 PolarHBondContact O-N 2.94Å |
| 210 | G | 59.7 | Low | 79.8 | Confident | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -1.4 | 177 | 0 | 0 | 0 | 0 | 0 | 116.1 | G208 | G208-G210 PolarHBondContact O-N 2.9Š|
| 211 | K | 65 | Low | 79.8 | Confident | 105 Ų | 105 | 52.5 Ų | 52.5 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 140.4 | 171 | -71.5 | -175.4 | 179.9 | -178.2 | 0 | 110.7 | G209 M213 F237 | G209-K211 VanDerWaalsContact C-N 3.32Å; G209-K211 PolarHBondContact O-N 2.94Å; K211-M213 VanDerWaalsContact C-N 3.26Å; K211-M213 PolarHBondContact O-N 2.89Å; K211-F237 HydrophobicContact CB-CE2 4.23Å; K211-F237 HydrophobicContact CB-CZ 3.85Å |
| 212 | G | 69.2 | Low | 79.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 25.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A204 E232 | A204-G212 PolarHBondContact N-O 3.17Å; A204-G212 VanDerWaalsContact N-O 3.1Å; G212-E232 PolarHBondContact N-OE1 2.99Å |
| 213 | M | 77.7 | Confident | 80 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 139.6 | 176.7 | -62.9 | -179.5 | 42.6 | 0 | 0 | 111.8 | M201 I202 K203 K211 | M201-M213 HydrophobicContact CE-CE 3.98Å; M201-M213 HydrophobicContact CG-CE 4.15Å; M201-M213 HydrophobicContact SD-CB 4.49Å; M201-M213 HydrophobicContact SD-CE 4.03Å; I202-M213 VanDerWaalsContact O-CA 3.25Å; I202-M213 WeakPolarHBondContact O-CA 3.48Å; K203-M213 HydrophobicContact CB-CG 4.21Å; K203-M213 HydrophobicContact CD-CE 4.05Å; K203-M213 HydrophobicContact CD-SD 4.29Å; K203-M213 HydrophobicContact CG-CE 4.07Å; K203-M213 HydrophobicContact CG-CG 3.96Å; K203-M213 HydrophobicContact CG-SD 4.22Å; K211-M213 VanDerWaalsContact C-N 3.26Å; K211-M213 PolarHBondContact O-N 2.89Å |
| 214 | R | 84.2 | Confident | 79.9 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 140.1 | 176 | -68.1 | -73.5 | -174.4 | -76.8 | -9.1 | 110.3 | M201 I202 S229 E232 | M201-R214 VanDerWaalsContact SD-C 3.6Å; M201-R214 VanDerWaalsContact SD-O 3.39Å; I202-R214 PolarHBondContact N-O 3.45Å; I202-R214 PolarHBondContact O-N 3.4Å; R214-S229 VanDerWaalsContact CG-OG 3.24Å; R214-S229 WeakPolarHBondContact CG-OG 3.36Å; R214-E232 IonicContact CZ-OE2 2.87Å; R214-E232 IonicContact NH1-OE2 3.73Å; R214-E232 PolarHBondContact NH1-OE2 2.74Å; R214-E232 IonicContact NH2-OE2 2.96Å; R214-E232 PolarHBondContact NH2-OE2 3.28Å |
| 215 | I | 86.8 | Confident | 80 | Confident | 71 Ų | 71 | 59.2 Ų | 59.2 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137 | 168.6 | -55.3 | 166.3 | 0 | 0 | 0 | 107.2 | P199 V200 M201 W217 F247 | P199-I215 HydrophobicContact CB-CG2 4.23Å; V200-I215 WeakPolarHBondContact O-CA 3.32Å; M201-I215 HydrophobicContact CE-CD1 4.29Å; M201-I215 HydrophobicContact CE-CG1 3.66Å; M201-I215 HydrophobicContact SD-CG1 3.63Å; I215-W217 HydrophobicContact CG2-CZ2 4.39Å; I215-F247 HydrophobicContact CD1-CD2 3.98Å; I215-F247 HydrophobicContact CD1-CE2 3.37Å; I215-F247 HydrophobicContact CD1-CZ 3.73Å; I215-F247 HydrophobicContact CG1-CD2 3.82Å; I215-F247 HydrophobicContact CG1-CE2 3.73Å; I215-F247 HydrophobicContact CG1-CZ 4.47Å; I215-F247 HydrophobicContact CG2-CD2 4.15Å; I215-F247 HydrophobicContact CG2-CG 4.17Å |
| 216 | A | 90.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 126.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P199 V200 I202 E221 V222 | P199-A216 WeakPolarHBondContact CA-O 3.48Å; V200-A216 HydrophobicContact CG2-CB 4.12Å; V200-A216 PolarHBondContact N-O 2.83Å; V200-A216 PolarHBondContact O-N 2.84Å; I202-A216 HydrophobicContact CD1-CB 4.38Å; A216-E221 WeakPolarHBondContact CA-OE2 3.35Å; A216-E221 HydrophobicContact CB-CB 3.82Å; A216-V222 HydrophobicContact CB-CB 4.27Å; A216-V222 HydrophobicContact CB-CG2 3.46Å; A216-V222 VanDerWaalsContact CB-CG2 3.46Å |
| 217 | W | 91.7 | Very high | 81.1 | Confident | 144 Ų | 144 | 65.5 Ų | 65.5 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -95.5 | -17.9 | -176.4 | -64.5 | 91 | 0 | 0 | 0 | 113.3 | Y198 P199 I215 E221 | Y198-W217 VanDerWaalsContact CB-O 3.25Å; Y198-W217 WeakPolarHBondContact CB-O 3.3Å; P199-W217 HydrophobicContact CB-CD2 3.86Å; P199-W217 HydrophobicContact CB-CE3 3.65Å; P199-W217 HydrophobicContact CB-CG 4.43Å; P199-W217 HydrophobicContact CB-CH2 4.37Å; P199-W217 HydrophobicContact CB-CZ3 3.93Å; P199-W217 HydrophobicContact CG-CD2 4.44Å; P199-W217 HydrophobicContact CG-CE3 3.82Å; P199-W217 HydrophobicContact CG-CH2 4Å; P199-W217 HydrophobicContact CG-CZ3 3.58Å; I215-W217 HydrophobicContact CG2-CZ2 4.39Å; W217-E221 WeakPolarHBondContact CB-OE2 3.33Å; W217-E221 VanDerWaalsContact CD1-OE2 3.25Å; W217-E221 PolarHBondContact N-OE2 3.05Å |
| 218 | D | 93.1 | Very high | 81.9 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -147.6 | 177.4 | 177.4 | 66.6 | 36.7 | 0 | 0 | 0 | 112.2 | K220 E221 V222 | D218-K220 VanDerWaalsContact C-N 3.31Å; D218-K220 PolarHBondContact O-N 3.04Å; D218-K220 WeakPolarHBondContact OD1-CA 3.43Å; D218-K220 WeakPolarHBondContact OD1-CB 3.37Å; D218-K220 PolarHBondContact OD1-N 3.07Å; D218-E221 PolarHBondContact O-N 3.25Å; D218-E221 PolarHBondContact OD1-N 3.42Å; D218-V222 WeakPolarHBondContact O-CG2 3.3Å; D218-V222 PolarHBondContact O-N 3.34Å |
| 219 | E | 94.1 | Very high | 82.9 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | -179.6 | -172.7 | -176.6 | 156.6 | 0 | 0 | 113 | A190 Y198 V222 R223 | A190-E219 HydrophobicContact CB-CG 3.68Å; Y198-E219 WeakPolarHBondContact OH-CA 3.44Å; Y198-E219 PolarHBondContact OH-N 3.05Å; E219-V222 PolarHBondContact O-N 3.42Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.28Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE1-CZ 3.42Å; E219-R223 IonicContact OE1-NE 2.89Å; E219-R223 PolarHBondContact OE1-NE 3.1Å; E219-R223 IonicContact OE1-NH2 3.09Å; E219-R223 PolarHBondContact OE1-NH2 2.85Å; E219-R223 VanDerWaalsContact OE1-NH2 3.09Å |
| 220 | K | 90.9 | Very high | 84.1 | Confident | 157 Ų | 157 | 64.7 Ų | 64.7 | 68% | 0.683 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | -177.6 | -177.7 | -172.1 | 173.2 | -167.7 | 0 | 109.5 | D218 V222 R223 E224 | D218-K220 VanDerWaalsContact C-N 3.31Å; D218-K220 PolarHBondContact O-N 3.04Å; D218-K220 WeakPolarHBondContact OD1-CA 3.43Å; D218-K220 WeakPolarHBondContact OD1-CB 3.37Å; D218-K220 PolarHBondContact OD1-N 3.07Å; K220-V222 VanDerWaalsContact C-N 3.28Å; K220-V222 PolarHBondContact O-N 3.2Å; K220-R223 PolarHBondContact O-N 2.89Å; K220-E224 PolarHBondContact O-N 3.09Å; K220-E224 VanDerWaalsContact O-N 3.1Å |
| 221 | E | 91.5 | Very high | 85 | Confident | 74 Ų | 74 | 67 Ų | 67 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -33 | 175.5 | -69.8 | -173.3 | 178.9 | 0 | 0 | 112.3 | A216 W217 D218 G225 | A216-E221 WeakPolarHBondContact CA-OE2 3.35Å; A216-E221 HydrophobicContact CB-CB 3.82Å; W217-E221 WeakPolarHBondContact CB-OE2 3.33Å; W217-E221 VanDerWaalsContact CD1-OE2 3.25Å; W217-E221 PolarHBondContact N-OE2 3.05Å; D218-E221 PolarHBondContact O-N 3.25Å; D218-E221 PolarHBondContact OD1-N 3.42Å; E221-G225 WeakPolarHBondContact O-CA 3.47Å; E221-G225 PolarHBondContact O-N 3.44Å |
| 222 | V | 91.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 175 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | A189 A193 Y198 V200 I202 A216 D218 E219 K220 Y226 | A189-V222 HydrophobicContact CB-CG1 3.75Å; A193-V222 HydrophobicContact CB-CB 4.49Å; A193-V222 HydrophobicContact CB-CG1 4.15Å; A193-V222 HydrophobicContact CB-CG2 3.68Å; Y198-V222 HydrophobicContact CE1-CG2 3.73Å; V200-V222 HydrophobicContact CG2-CG2 3.65Å; I202-V222 HydrophobicContact CD1-CB 4.5Å; I202-V222 HydrophobicContact CD1-CG1 4.32Å; I202-V222 WeakPolarHBondContact CD1-O 3.24Å; A216-V222 HydrophobicContact CB-CB 4.27Å; A216-V222 HydrophobicContact CB-CG2 3.46Å; A216-V222 VanDerWaalsContact CB-CG2 3.46Å; D218-V222 WeakPolarHBondContact O-CG2 3.3Å; D218-V222 PolarHBondContact O-N 3.34Å; E219-V222 PolarHBondContact O-N 3.42Å; K220-V222 VanDerWaalsContact C-N 3.28Å; K220-V222 PolarHBondContact O-N 3.2Å; V222-Y226 VanDerWaalsContact O-CB 3.24Å; V222-Y226 WeakPolarHBondContact O-CB 3.46Å; V222-Y226 PolarHBondContact O-N 3.48Å |
| 223 | R | 91 | Very high | 86.1 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 25% | 0.245 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | -178 | -69.4 | 171.3 | 172.1 | -77 | 3.4 | 112 | P186 D187 A190 E219 K220 R227 | P186-R223 HydrophobicContact CB-CB 4.24Å; P186-R223 HydrophobicContact CB-CG 4.17Å; D187-R223 IonicContact OD1-CZ 3.17Å; D187-R223 IonicContact OD1-NH1 2.65Å; D187-R223 PolarHBondContact OD1-NH1 2.94Å; D187-R223 IonicContact OD1-NH2 2.82Å; D187-R223 PolarHBondContact OD1-NH2 3.19Å; D187-R223 IonicContact OD2-NH1 3.96Å; A190-R223 HydrophobicContact CB-CG 4.37Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.28Å; E219-R223 VanDerWaalsContact O-N 3.08Å; E219-R223 IonicContact OE1-CZ 3.42Å; E219-R223 IonicContact OE1-NE 2.89Å; E219-R223 PolarHBondContact OE1-NE 3.1Å; E219-R223 IonicContact OE1-NH2 3.09Å; E219-R223 PolarHBondContact OE1-NH2 2.85Å; E219-R223 VanDerWaalsContact OE1-NH2 3.09Å; K220-R223 PolarHBondContact O-N 2.89Å; R223-R227 PolarHBondContact O-N 3.22Å |
| 224 | E | 84.3 | Confident | 86.2 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -50.7 | 175.9 | -174.9 | 174.1 | 172.5 | 0 | 0 | 111.1 | K220 Y226 R227 L228 | K220-E224 PolarHBondContact O-N 3.09Å; K220-E224 VanDerWaalsContact O-N 3.1Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 2.96Å; E224-R227 PolarHBondContact O-N 3.1Å; E224-L228 HydrophobicContact CG-CD1 3.91Å; E224-L228 HydrophobicContact CG-CG 4.45Å; E224-L228 WeakPolarHBondContact O-CG 3.24Å; E224-L228 PolarHBondContact O-N 3.48Å |
| 225 | G | 84.8 | Confident | 85.4 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 7% | 0.072 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E221 S229 | E221-G225 WeakPolarHBondContact O-CA 3.47Å; E221-G225 PolarHBondContact O-N 3.44Å; G225-S229 WeakPolarHBondContact O-CB 2.99Å; G225-S229 PolarHBondContact O-N 2.92Å; G225-S229 PolarHBondContact O-OG 3.12Å |
| 226 | Y | 88.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.02 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 175.2 | 179.2 | -84.8 | 0 | 0 | 0 | 111.5 | V183 G185 P186 A189 V222 E224 L228 K230 M242 | V183-Y226 HydrophobicContact CB-CE2 3.98Å; V183-Y226 HydrophobicContact CG1-CD2 4.21Å; V183-Y226 HydrophobicContact CG1-CE2 3.72Å; V183-Y226 PolarHBondContact O-OH 3.36Å; G185-Y226 PolarHBondContact N-OH 3.32Å; P186-Y226 HydrophobicContact CG-CD1 3.95Å; P186-Y226 HydrophobicContact CG-CE1 4.42Å; A189-Y226 HydrophobicContact CB-CD2 3.84Å; A189-Y226 HydrophobicContact CB-CG 4.18Å; V222-Y226 VanDerWaalsContact O-CB 3.24Å; V222-Y226 WeakPolarHBondContact O-CB 3.46Å; V222-Y226 PolarHBondContact O-N 3.48Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 2.96Å; Y226-L228 PolarHBondContact O-N 3.39Å; Y226-K230 HydrophobicContact CE1-CB 4.48Å; Y226-K230 HydrophobicContact CE1-CD 3.73Å; Y226-K230 WeakPolarHBondContact O-CB 3.4Å; Y226-K230 PolarHBondContact O-N 2.72Å; Y226-K230 PolarHBondContact OH-NZ 2.99Å; Y226-M242 HydrophobicContact CD2-CB 4.24Å; Y226-M242 HydrophobicContact CD2-CG 4.33Å; Y226-M242 HydrophobicContact CE2-CB 3.68Å; Y226-M242 HydrophobicContact CE2-CG 3.85Å |
| 227 | R | 83.5 | Confident | 83.8 | Confident | 161 Ų | 161 | 71 Ų | 71 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -46.6 | -179.7 | -78.3 | -172 | 159.4 | 103.4 | -0.6 | 111.5 | P186 R223 E224 S231 | P186-R227 HydrophobicContact CG-CG 4.02Å; R223-R227 PolarHBondContact O-N 3.22Å; E224-R227 PolarHBondContact O-N 3.1Å; R227-S231 PolarHBondContact O-N 3.4Å; R227-S231 VanDerWaalsContact O-N 3.12Å; R227-S231 PolarHBondContact O-OG 3.11Å |
| 228 | L | 81.6 | Confident | 83.2 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 40% | 0.398 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.2 | -53 | 179.8 | -68 | 175.7 | 0 | 0 | 0 | 111 | E224 Y226 K230 S231 E232 | E224-L228 HydrophobicContact CG-CD1 3.91Å; E224-L228 HydrophobicContact CG-CG 4.45Å; E224-L228 WeakPolarHBondContact O-CG 3.24Å; E224-L228 PolarHBondContact O-N 3.48Å; Y226-L228 PolarHBondContact O-N 3.39Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 3.11Å; L228-S231 PolarHBondContact O-N 3.5Å; L228-S231 PolarHBondContact O-OG 3.49Å; L228-E232 WeakPolarHBondContact O-CB 3.24Å; L228-E232 PolarHBondContact O-N 2.9Å |
| 229 | S | 84.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | -179.2 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | R214 G225 E232 A233 M242 | R214-S229 VanDerWaalsContact CG-OG 3.24Å; R214-S229 WeakPolarHBondContact CG-OG 3.36Å; G225-S229 WeakPolarHBondContact O-CB 2.99Å; G225-S229 PolarHBondContact O-N 2.92Å; G225-S229 PolarHBondContact O-OG 3.12Å; S229-E232 PolarHBondContact O-N 2.64Å; S229-A233 VanDerWaalsContact O-CB 3.26Å; S229-A233 WeakPolarHBondContact O-CB 3.33Å; S229-A233 PolarHBondContact O-N 3.28Å; S229-M242 VanDerWaalsContact CB-CE 3.46Å |
| 230 | K | 83.8 | Confident | 82.1 | Confident | 46 Ų | 46 | 63.4 Ų | 63.4 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.3 | -172 | 165.8 | -170.2 | 161.8 | 0 | 111.8 | Y226 L228 A233 K234 D240 M242 | Y226-K230 HydrophobicContact CE1-CB 4.48Å; Y226-K230 HydrophobicContact CE1-CD 3.73Å; Y226-K230 WeakPolarHBondContact O-CB 3.4Å; Y226-K230 PolarHBondContact O-N 2.72Å; Y226-K230 PolarHBondContact OH-NZ 2.99Å; L228-K230 VanDerWaalsContact C-N 3.34Å; L228-K230 PolarHBondContact O-N 3.11Å; K230-A233 PolarHBondContact O-N 3.2Å; K230-K234 WeakPolarHBondContact O-CB 3.23Å; K230-K234 PolarHBondContact O-N 3.1Å; K230-D240 VanDerWaalsContact CE-O 3.26Å; K230-D240 WeakPolarHBondContact CE-O 3.37Å; K230-D240 WeakPolarHBondContact CE-OD2 3.39Å; K230-D240 HydrophobicContact CG-CB 3.83Å; K230-D240 WeakPolarHBondContact CG-O 3.24Å; K230-M242 HydrophobicContact CB-CG 4.07Å; K230-M242 HydrophobicContact CB-SD 4.22Å; K230-M242 HydrophobicContact CD-CG 4.46Å; K230-M242 HydrophobicContact CG-CG 4.27Å |
| 231 | S | 78.5 | Confident | 82 | Confident | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 176 | 72.7 | 0 | 0 | 0 | 0 | 112.4 | R227 L228 A235 | R227-S231 PolarHBondContact O-N 3.4Å; R227-S231 VanDerWaalsContact O-N 3.12Å; R227-S231 PolarHBondContact O-OG 3.11Å; L228-S231 PolarHBondContact O-N 3.5Å; L228-S231 PolarHBondContact O-OG 3.49Å; S231-A235 WeakPolarHBondContact O-CB 3.32Å; S231-A235 PolarHBondContact O-N 3.39Å |
| 232 | E | 77.4 | Confident | 81.8 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.8 | -169 | -176.4 | 145.4 | 0 | 0 | 111.3 | G212 R214 L228 S229 A235 S236 | G212-E232 PolarHBondContact N-OE1 2.99Å; R214-E232 IonicContact CZ-OE2 2.87Å; R214-E232 IonicContact NH1-OE2 3.73Å; R214-E232 PolarHBondContact NH1-OE2 2.74Å; R214-E232 IonicContact NH2-OE2 2.96Å; R214-E232 PolarHBondContact NH2-OE2 3.28Å; L228-E232 WeakPolarHBondContact O-CB 3.24Å; L228-E232 PolarHBondContact O-N 2.9Å; S229-E232 PolarHBondContact O-N 2.64Å; E232-A235 PolarHBondContact O-N 2.83Å; E232-S236 WeakPolarHBondContact O-CB 3.49Å; E232-S236 PolarHBondContact O-N 3.36Å; E232-S236 PolarHBondContact O-OG 3.5Å |
| 233 | A | 78.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -47 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A204 S229 K230 A235 S236 F237 G238 D239 M242 | A204-A233 HydrophobicContact CB-CB 3.67Å; S229-A233 VanDerWaalsContact O-CB 3.26Å; S229-A233 WeakPolarHBondContact O-CB 3.33Å; S229-A233 PolarHBondContact O-N 3.28Å; K230-A233 PolarHBondContact O-N 3.2Å; A233-A235 VanDerWaalsContact C-N 3.31Å; A233-A235 PolarHBondContact O-N 2.89Å; A233-S236 PolarHBondContact O-N 3.15Å; A233-F237 HydrophobicContact CB-CD2 4.38Å; A233-F237 WeakPolarHBondContact O-CA 3.43Å; A233-F237 PolarHBondContact O-N 2.89Å; A233-G238 PolarHBondContact O-N 2.82Å; A233-D239 CarbonylContact C-O 3.27Å; A233-D239 VanDerWaalsContact C-O 3.27Å; A233-D239 WeakPolarHBondContact CB-O 3.35Å; A233-M242 HydrophobicContact CB-SD 4.4Å |
| 234 | K | 79.2 | Confident | 81.5 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 174.8 | -169.5 | 169.2 | -176.2 | 163.1 | 0 | 112.2 | K230 G238 D240 | K230-K234 WeakPolarHBondContact O-CB 3.23Å; K230-K234 PolarHBondContact O-N 3.1Å; K234-G238 WeakPolarHBondContact O-CA 3.36Å; K234-G238 PolarHBondContact O-N 2.83Å; K234-D240 HydrophobicContact CB-CB 3.96Å; K234-D240 HydrophobicContact CD-CB 4.44Å; K234-D240 HydrophobicContact CG-CB 4.4Å |
| 235 | A | 69.3 | Low | 81.8 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 74% | 0.736 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -71.3 | -34.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | S231 E232 A233 | S231-A235 WeakPolarHBondContact O-CB 3.32Å; S231-A235 PolarHBondContact O-N 3.39Å; E232-A235 PolarHBondContact O-N 2.83Å; A233-A235 VanDerWaalsContact C-N 3.31Å; A233-A235 PolarHBondContact O-N 2.89Å |
| 236 | S | 69.1 | Low | 82 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -90.5 | -36.9 | -173.4 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | E232 A233 | E232-S236 WeakPolarHBondContact O-CB 3.49Å; E232-S236 PolarHBondContact O-N 3.36Å; E232-S236 PolarHBondContact O-OG 3.5Å; A233-S236 PolarHBondContact O-N 3.15Å |
| 237 | F | 74.4 | Confident | 81.9 | Confident | 72 Ų | 72 | 50.9 Ų | 50.9 | 32% | 0.316 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -124.5 | -11.2 | -168.6 | -50.7 | -58.6 | 0 | 0 | 0 | 113.4 | K211 A233 D239 | K211-F237 HydrophobicContact CB-CE2 4.23Å; K211-F237 HydrophobicContact CB-CZ 3.85Å; A233-F237 HydrophobicContact CB-CD2 4.38Å; A233-F237 WeakPolarHBondContact O-CA 3.43Å; A233-F237 PolarHBondContact O-N 2.89Å; F237-D239 PolarHBondContact O-N 2.96Å |
| 238 | G | 78.8 | Confident | 82 | Confident | 69 Ų | 69 | 44 Ų | 44 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 71.7 | 5.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A233 K234 | A233-G238 PolarHBondContact O-N 2.82Å; K234-G238 WeakPolarHBondContact O-CA 3.36Å; K234-G238 PolarHBondContact O-N 2.83Å |
| 239 | D | 80.2 | Confident | 81.9 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | trans | -123.4 | 128 | 177.1 | -173.3 | -23.5 | 0 | 0 | 0 | 108.1 | S205 T206 A233 F237 R241 | S205-D239 PolarHBondContact OG-OD1 2.63Å; S205-D239 PolarHBondContact OG-OD2 2.69Å; T206-D239 HydrophobicContact CG2-CB 4.15Å; T206-D239 WeakPolarHBondContact CG2-OD2 3.39Å; T206-D239 WeakPolarHBondContact OG1-CB 3.37Å; A233-D239 CarbonylContact C-O 3.27Å; A233-D239 VanDerWaalsContact C-O 3.27Å; A233-D239 WeakPolarHBondContact CB-O 3.35Å; F237-D239 PolarHBondContact O-N 2.96Å; D239-R241 VanDerWaalsContact OD1-CB 3.31Å; D239-R241 WeakPolarHBondContact OD1-CB 3.41Å; D239-R241 WeakPolarHBondContact OD1-CG 3.35Å; D239-R241 PolarHBondContact OD1-N 2.95Å; D239-R241 IonicContact OD1-NE 3.11Å; D239-R241 PolarHBondContact OD1-NE 3.46Å; D239-R241 VanDerWaalsContact OD1-NE 3.11Å; D239-R241 IonicContact OD2-CZ 3.58Å; D239-R241 VanDerWaalsContact OD2-CZ 3.25Å; D239-R241 IonicContact OD2-NE 2.98Å; D239-R241 PolarHBondContact OD2-NE 3.2Å; D239-R241 IonicContact OD2-NH2 3.46Å; D239-R241 PolarHBondContact OD2-NH2 2.89Å | ||
| 240 | D | 84.2 | Confident | 81.9 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | trans | -114.8 | 12.4 | -175.2 | 74 | -18.6 | 0 | 0 | 0 | 113.1 | K230 K234 | K230-D240 VanDerWaalsContact CE-O 3.26Å; K230-D240 WeakPolarHBondContact CE-O 3.37Å; K230-D240 WeakPolarHBondContact CE-OD2 3.39Å; K230-D240 HydrophobicContact CG-CB 3.83Å; K230-D240 WeakPolarHBondContact CG-O 3.24Å; K234-D240 HydrophobicContact CB-CB 3.96Å; K234-D240 HydrophobicContact CD-CB 4.44Å; K234-D240 HydrophobicContact CG-CB 4.4Å | ||
| 241 | R | 88.4 | Confident | 82.2 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | trans | -68.6 | 133.9 | 173.1 | -56.7 | 177.5 | -69.2 | 155.9 | 0.5 | 109.8 | D160 E182 S205 D239 | D160-R241 IonicContact OD2-CZ 3.25Å; D160-R241 IonicContact OD2-NH1 3.19Å; D160-R241 PolarHBondContact OD2-NH1 2.88Å; D160-R241 IonicContact OD2-NH2 2.72Å; D160-R241 PolarHBondContact OD2-NH2 3.43Å; E182-R241 HydrophobicContact CG-CB 4.11Å; E182-R241 HydrophobicContact CG-CG 4.39Å; E182-R241 WeakPolarHBondContact OE2-CG 3.42Å; S205-R241 WeakPolarHBondContact CB-O 3.45Å; S205-R241 PolarHBondContact N-O 3.48Å; S205-R241 PolarHBondContact OG-O 3.38Å; D239-R241 VanDerWaalsContact OD1-CB 3.31Å; D239-R241 WeakPolarHBondContact OD1-CB 3.41Å; D239-R241 WeakPolarHBondContact OD1-CG 3.35Å; D239-R241 PolarHBondContact OD1-N 2.95Å; D239-R241 IonicContact OD1-NE 3.11Å; D239-R241 PolarHBondContact OD1-NE 3.46Å; D239-R241 VanDerWaalsContact OD1-NE 3.11Å; D239-R241 IonicContact OD2-CZ 3.58Å; D239-R241 VanDerWaalsContact OD2-CZ 3.25Å; D239-R241 IonicContact OD2-NE 2.98Å; D239-R241 PolarHBondContact OD2-NE 3.2Å; D239-R241 IonicContact OD2-NH2 3.46Å; D239-R241 PolarHBondContact OD2-NH2 2.89Å | ||
| 242 | M | 87 | Confident | 83.1 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.2 | -172.3 | -62.9 | -55.2 | -60.7 | 0 | 0 | 112.5 | V183 I202 K203 A204 Y226 S229 K230 A233 | V183-M242 PolarHBondContact N-O 3.08Å; V183-M242 VanDerWaalsContact N-O 3.12Å; I202-M242 HydrophobicContact CG2-CE 3.48Å; I202-M242 VanDerWaalsContact CG2-CE 3.48Å; K203-M242 VanDerWaalsContact C-CE 3.47Å; K203-M242 WeakPolarHBondContact O-CE 3.28Å; A204-M242 HydrophobicContact CB-SD 4.4Å; Y226-M242 HydrophobicContact CD2-CB 4.24Å; Y226-M242 HydrophobicContact CD2-CG 4.33Å; Y226-M242 HydrophobicContact CE2-CB 3.68Å; Y226-M242 HydrophobicContact CE2-CG 3.85Å; S229-M242 VanDerWaalsContact CB-CE 3.46Å; K230-M242 HydrophobicContact CB-CG 4.07Å; K230-M242 HydrophobicContact CB-SD 4.22Å; K230-M242 HydrophobicContact CD-CG 4.46Å; K230-M242 HydrophobicContact CG-CG 4.27Å; A233-M242 HydrophobicContact CB-SD 4.4Å |
| 243 | L | 86.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.1 | 177.5 | -68 | 161.6 | 0 | 0 | 0 | 110.2 | K161 I162 I202 K203 | K161-L243 HydrophobicContact CB-CD1 3.79Å; K161-L243 HydrophobicContact CD-CD1 4.34Å; I162-L243 HydrophobicContact CG1-CD2 4.17Å; I202-L243 WeakPolarHBondContact CA-O 3.43Å; K203-L243 PolarHBondContact N-O 3.16Å; K203-L243 PolarHBondContact O-N 3.09Å |
| 244 | I | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.8 | 171.8 | -60.9 | 177.4 | 0 | 0 | 0 | 109.4 | G178 Y179 V183 A189 I192 I196 V200 M201 I202 | G178-I244 WeakPolarHBondContact CA-O 3.37Å; Y179-I244 PolarHBondContact N-O 3.02Å; V183-I244 HydrophobicContact CG1-CD1 4.1Å; V183-I244 HydrophobicContact CG2-CB 4.5Å; V183-I244 HydrophobicContact CG2-CD1 4.07Å; V183-I244 HydrophobicContact CG2-CG1 3.99Å; A189-I244 VanDerWaalsContact CA-CD1 3.46Å; A189-I244 HydrophobicContact CB-CD1 3.5Å; I192-I244 HydrophobicContact CG2-CB 4.14Å; I192-I244 HydrophobicContact CG2-CG2 4.26Å; I196-I244 HydrophobicContact CD1-CG2 3.87Å; V200-I244 HydrophobicContact CB-CG2 3.98Å; V200-I244 HydrophobicContact CG1-CG2 4.39Å; V200-I244 HydrophobicContact CG2-CG2 4.13Å; M201-I244 WeakPolarHBondContact O-CA 3.49Å; I202-I244 HydrophobicContact CG1-CG1 4.25Å |
| 245 | E | 89.8 | Confident | 85.9 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 160.9 | -178.2 | -63.3 | -177.8 | 132.1 | 0 | 0 | 111.1 | K165 I176 V200 M201 K203 F247 | K165-E245 WeakPolarHBondContact CE-OE1 3.47Å; K165-E245 VanDerWaalsContact NZ-CD 3.33Å; K165-E245 IonicContact NZ-OE1 2.69Å; K165-E245 PolarHBondContact NZ-OE1 2.98Å; I176-E245 HydrophobicContact CG2-CB 3.88Å; I176-E245 HydrophobicContact CG2-CG 4.49Å; V200-E245 CarbonylContact C-O 3.34Å; V200-E245 VanDerWaalsContact CA-O 3.26Å; V200-E245 WeakPolarHBondContact CA-O 3.49Å; V200-E245 WeakPolarHBondContact CB-O 3.46Å; M201-E245 PolarHBondContact N-O 3.43Å; M201-E245 PolarHBondContact O-N 3.4Å; K203-E245 WeakPolarHBondContact CD-OE2 3.49Å; K203-E245 WeakPolarHBondContact CE-OE2 3.4Å; K203-E245 IonicContact NZ-OE2 3.68Å; K203-E245 PolarHBondContact NZ-OE2 3.49Å; E245-F247 PolarHBondContact O-N 3.26Å |
| 246 | K | 90 | Very high | 87.3 | Confident | 55 Ų | 55 | 30.7 Ų | 30.7 | 24% | 0.239 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.7 | 168.7 | -173.2 | 68.6 | -170.7 | -178.9 | 0 | 109.7 | I176 P177 I196 G197 Y198 I248 | I176-K246 HydrophobicContact CG2-CB 4.29Å; I176-K246 WeakPolarHBondContact CG2-O 3.41Å; P177-K246 HydrophobicContact CB-CB 4.22Å; P177-K246 WeakPolarHBondContact O-CB 3.25Å; P177-K246 PolarHBondContact O-N 3.43Å; I196-K246 HydrophobicContact CG2-CB 3.73Å; I196-K246 HydrophobicContact CG2-CD 3.82Å; I196-K246 HydrophobicContact CG2-CG 4.39Å; G197-K246 VanDerWaalsContact C-NZ 3.31Å; G197-K246 WeakPolarHBondContact O-CD 3.42Å; G197-K246 PolarHBondContact O-NZ 2.68Å; Y198-K246 VanDerWaalsContact C-NZ 3.34Å; Y198-K246 PolarHBondContact O-NZ 2.81Å; K246-I248 HydrophobicContact CG-CD1 4.37Å; K246-I248 PolarHBondContact O-N 2.89Å |
| 247 | F | 87 | Confident | 88.7 | Confident | 27 Ų | 27 | 27.9 Ų | 27.9 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -77.1 | 121.3 | 168.8 | 178.8 | -99.4 | 0 | 0 | 0 | 109.2 | P199 M201 I215 E245 D249 | P199-F247 HydrophobicContact CB-CB 4.03Å; P199-F247 HydrophobicContact CB-CD1 4.29Å; P199-F247 HydrophobicContact CB-CG 4.45Å; P199-F247 HydrophobicContact CG-CB 3.98Å; P199-F247 HydrophobicContact CG-CD1 3.7Å; P199-F247 HydrophobicContact CG-CG 4.24Å; P199-F247 WeakPolarHBondContact O-CB 3.37Å; P199-F247 PolarHBondContact O-N 3.36Å; P199-F247 VanDerWaalsContact O-N 3.1Å; M201-F247 HydrophobicContact CE-CD2 3.58Å; M201-F247 HydrophobicContact CE-CE2 3.69Å; I215-F247 HydrophobicContact CD1-CD2 3.98Å; I215-F247 HydrophobicContact CD1-CE2 3.37Å; I215-F247 HydrophobicContact CD1-CZ 3.73Å; I215-F247 HydrophobicContact CG1-CD2 3.82Å; I215-F247 HydrophobicContact CG1-CE2 3.73Å; I215-F247 HydrophobicContact CG1-CZ 4.47Å; I215-F247 HydrophobicContact CG2-CD2 4.15Å; I215-F247 HydrophobicContact CG2-CG 4.17Å; E245-F247 PolarHBondContact O-N 3.26Å; F247-D249 HydrophobicContact CE1-CB 4.27Å |
| 248 | I | 84.4 | Confident | 89.9 | Confident | 17 Ų | 17 | 24.4 Ų | 24.4 | 9% | 0.087 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 118 | 174.1 | -52.6 | -54.9 | 0 | 0 | 0 | 107.7 | I176 K246 P251 D324 Y330 | I176-I248 HydrophobicContact CG2-CD1 4.46Å; K246-I248 HydrophobicContact CG-CD1 4.37Å; K246-I248 PolarHBondContact O-N 2.89Å; I248-P251 HydrophobicContact CB-CB 4.37Å; I248-P251 HydrophobicContact CG2-CB 4.02Å; I248-P251 VanDerWaalsContact O-CD 3.3Å; I248-P251 WeakPolarHBondContact O-CD 3.32Å; I248-D324 HydrophobicContact CG2-CB 3.58Å; I248-Y330 HydrophobicContact CD1-CD2 3.99Å; I248-Y330 HydrophobicContact CD1-CE2 3.76Å; I248-Y330 HydrophobicContact CG1-CD2 4.09Å; I248-Y330 HydrophobicContact CG1-CE2 4.29Å |
| 249 | D | 79.9 | Confident | 90.8 | Very high | 78 Ų | 78 | 21.2 Ų | 21.2 | 42% | 0.417 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -80.7 | 141.7 | -179.9 | -170.4 | 35.8 | 0 | 0 | 0 | 112 | F247 K486 | F247-D249 HydrophobicContact CE1-CB 4.27Å; D249-K486 IonicContact OD1-NZ 2.71Å; D249-K486 PolarHBondContact OD1-NZ 3.33Å |
| 250 | N | 83.7 | Confident | 91.7 | Very high | 63 Ų | 63 | 19.9 Ų | 19.9 | 34% | 0.337 | 10% | 0.096 | S | C | . | . | S | Bend | trans | 44.3 | 50.7 | -175 | -60.8 | -31.7 | 0 | 0 | 0 | 114.4 | K486 | N250-K486 WeakPolarHBondContact OD1-CD 3.16Å; N250-K486 VanDerWaalsContact OD1-CE 3.31Å; N250-K486 WeakPolarHBondContact OD1-CE 3.42Å; N250-K486 PolarHBondContact OD1-NZ 3.08Å |
| 251 | P | 91.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 7% | 0.065 | 8% | 0.084 | C | C | . | . | trans | -73.8 | 146.4 | -175.7 | 31.6 | -30.8 | 0 | 0 | 0 | 110.3 | I248 L322 V323 T485 | I248-P251 HydrophobicContact CB-CB 4.37Å; I248-P251 HydrophobicContact CG2-CB 4.02Å; I248-P251 VanDerWaalsContact O-CD 3.3Å; I248-P251 WeakPolarHBondContact O-CD 3.32Å; P251-L322 HydrophobicContact CB-CB 4.19Å; P251-L322 HydrophobicContact CB-CD2 4.07Å; P251-L322 HydrophobicContact CG-CD2 4.39Å; P251-V323 WeakPolarHBondContact CA-O 3.05Å; P251-T485 WeakPolarHBondContact CD-OG1 3.41Å; P251-T485 WeakPolarHBondContact CG-OG1 3.04Å; P251-T485 WeakPolarHBondContact O-CG2 3.32Å; P251-T485 PolarHBondContact O-N 3Å; P251-T485 PolarHBondContact O-OG1 3.09Å | ||
| 252 | R | 96.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 20 Ų | 20 | 8% | 0.079 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 140.9 | 160.9 | -67.9 | -178.8 | 178 | -123.4 | 3.8 | 109.2 | I254 E273 S275 T290 L322 V323 G481 I483 | R252-I254 HydrophobicContact CB-CD1 4.08Å; R252-I254 HydrophobicContact CB-CG1 4.13Å; R252-E273 WeakPolarHBondContact CD-OE1 3.45Å; R252-E273 IonicContact CZ-OE1 3.54Å; R252-E273 IonicContact NE-OE1 2.91Å; R252-E273 IonicContact NH1-OE1 3.63Å; R252-E273 PolarHBondContact NH1-OE1 3.07Å; R252-E273 IonicContact NH1-OE2 2.82Å; R252-S275 WeakPolarHBondContact CA-OG 3.48Å; R252-S275 WeakPolarHBondContact CB-OG 3.13Å; R252-T290 PolarHBondContact NH1-OG1 2.7Å; R252-L322 WeakPolarHBondContact O-CA 3.14Å; R252-V323 HydrophobicContact CB-CB 4.42Å; R252-V323 PolarHBondContact N-O 2.67Å; R252-V323 PolarHBondContact O-N 3.01Å; R252-G481 VanDerWaalsContact CZ-O 3.28Å; R252-G481 PolarHBondContact NH1-O 3.11Å; R252-G481 PolarHBondContact NH2-O 2.66Å; R252-I483 PolarHBondContact NE-O 2.8Å; R252-I483 PolarHBondContact NH2-O 3.28Å |
| 253 | H | 97.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 7% | 0.065 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.6 | 175.6 | -169.9 | 169.6 | 0 | 0 | 0 | 107.5 | C274 S275 E320 T485 | H253-C274 PolarHBondContact O-N 3.12Å; H253-S275 PolarHBondContact N-OG 2.81Å; H253-S275 VanDerWaalsContact N-OG 3.12Å; H253-E320 IonicContact CE1-OE2 3.75Å; H253-E320 PolarHBondContact CE1-OE2 3.44Å; H253-E320 VanDerWaalsContact NE2-CD 3.3Å; H253-E320 IonicContact NE2-OE1 3.58Å; H253-E320 IonicContact NE2-OE2 3.06Å; H253-E320 PolarHBondContact NE2-OE2 3.01Å; H253-T485 HydrophobicContact CB-CG2 4.07Å |
| 254 | I | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.6 | -176.5 | -57.6 | 176.4 | 0 | 0 | 0 | 108.4 | R252 E271 R272 E273 S289 F291 L292 M300 F321 V323 | R252-I254 HydrophobicContact CB-CD1 4.08Å; R252-I254 HydrophobicContact CB-CG1 4.13Å; I254-E271 HydrophobicContact CG2-CB 3.79Å; I254-E271 HydrophobicContact CG2-CG 3.84Å; I254-R272 WeakPolarHBondContact CA-O 3.38Å; I254-E273 HydrophobicContact CG1-CB 4.3Å; I254-E273 HydrophobicContact CG1-CG 4.22Å; I254-S289 WeakPolarHBondContact CD1-OG 3.37Å; I254-F291 HydrophobicContact CD1-CB 4.37Å; I254-L292 HydrophobicContact CD1-CD2 3.76Å; I254-L292 HydrophobicContact CD1-CG 4.08Å; I254-L292 HydrophobicContact CG2-CD1 3.92Å; I254-L292 HydrophobicContact CG2-CG 4.34Å; I254-M300 HydrophobicContact CB-CE 4.2Å; I254-M300 HydrophobicContact CG2-CE 3.9Å; I254-F321 PolarHBondContact N-O 3.28Å; I254-F321 CarbonylContact O-C 2.93Å; I254-F321 WeakPolarHBondContact O-CA 3.4Å; I254-F321 WeakPolarHBondContact O-CB 3.41Å; I254-F321 PolarHBondContact O-N 3.33Å; I254-V323 HydrophobicContact CB-CG2 4.04Å; I254-V323 HydrophobicContact CD1-CB 4.25Å; I254-V323 HydrophobicContact CD1-CG2 3.9Å; I254-V323 HydrophobicContact CG1-CG2 4.21Å |
| 255 | E | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151.5 | -170.9 | 67 | -177.9 | -153.2 | 0 | 0 | 111.8 | E271 R272 K282 T318 V319 E320 Q339 | E255-E271 CarbonylContact O-C 3.46Å; E255-E271 WeakPolarHBondContact O-CA 3.32Å; E255-E271 WeakPolarHBondContact O-CB 3.44Å; E255-R272 HydrophobicContact CG-CB 3.95Å; E255-R272 PolarHBondContact N-O 2.93Å; E255-R272 PolarHBondContact O-N 3.03Å; E255-R272 IonicContact OE1-CZ 3.94Å; E255-R272 IonicContact OE1-NE 2.7Å; E255-R272 PolarHBondContact OE1-NE 2.66Å; E255-R272 IonicContact OE1-NH2 3.6Å; E255-R272 PolarHBondContact OE1-NH2 2.69Å; E255-K282 IonicContact OE1-NZ 3.86Å; E255-K282 IonicContact OE2-NZ 3.2Å; E255-K282 PolarHBondContact OE2-NZ 3.28Å; E255-T318 HydrophobicContact CB-CG2 3.59Å; E255-T318 HydrophobicContact CG-CG2 3.73Å; E255-V319 CarbonylContact C-O 3.57Å; E255-V319 WeakPolarHBondContact CA-O 3.47Å; E255-E320 HydrophobicContact CB-CB 4.27Å; E255-E320 HydrophobicContact CB-CG 3.93Å; E255-E320 VanDerWaalsContact OE2-OE1 3.05Å; E255-Q339 PolarHBondContact OE1-OE1 2.88Å; E255-Q339 PolarHBondContact OE2-NE2 3.09Å; E255-Q339 PolarHBondContact OE2-OE1 3.47Å |
| 256 | I | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.1 | -178.5 | -60.1 | -60.6 | 0 | 0 | 0 | 109.8 | L258 Y268 E271 M300 A304 T318 V319 F321 | I256-L258 HydrophobicContact CG2-CD2 4.41Å; I256-Y268 HydrophobicContact CG2-CG 4.33Å; I256-E271 HydrophobicContact CD1-CB 3.65Å; I256-M300 HydrophobicContact CD1-CB 3.95Å; I256-M300 HydrophobicContact CD1-CE 4.49Å; I256-M300 HydrophobicContact CG1-CB 4.02Å; I256-A304 HydrophobicContact CB-CB 3.91Å; I256-A304 HydrophobicContact CG1-CB 4.33Å; I256-A304 HydrophobicContact CG2-CB 3.79Å; I256-T318 VanDerWaalsContact O-CA 3.3Å; I256-T318 WeakPolarHBondContact O-CA 3.35Å; I256-T318 VanDerWaalsContact O-CG2 3.24Å; I256-T318 WeakPolarHBondContact O-CG2 3.38Å; I256-V319 PolarHBondContact N-O 3.45Å; I256-V319 PolarHBondContact O-N 3.46Å; I256-V319 VanDerWaalsContact O-N 3.08Å; I256-F321 HydrophobicContact CB-CE2 4.47Å; I256-F321 HydrophobicContact CG1-CD2 4.26Å; I256-F321 HydrophobicContact CG1-CE2 3.85Å |
| 257 | Q | 98.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.4 | 171.4 | -179.8 | 61.8 | 57.5 | 0 | 0 | 110.2 | Y268 L269 N270 G317 T318 T345 I353 | Q257-Y268 CarbonylContact O-C 3.34Å; Q257-Y268 VanDerWaalsContact O-CA 3.24Å; Q257-Y268 WeakPolarHBondContact O-CA 3.43Å; Q257-L269 HydrophobicContact CB-CB 4Å; Q257-L269 HydrophobicContact CG-CB 3.88Å; Q257-L269 HydrophobicContact CG-CD1 4.05Å; Q257-L269 HydrophobicContact CG-CG 4.29Å; Q257-L269 PolarHBondContact O-N 3.06Å; Q257-N270 PolarHBondContact N-O 3.11Å; Q257-G317 PolarHBondContact NE2-O 3.27Å; Q257-T318 PolarHBondContact OE1-OG1 3.04Å; Q257-T345 HydrophobicContact CB-CG2 4.07Å; Q257-T345 HydrophobicContact CG-CG2 4Å; Q257-I353 HydrophobicContact CG-CD1 3.9Å |
| 258 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.8 | 175.7 | -66.6 | 168.7 | 0 | 0 | 0 | 111.6 | I256 A304 V305 A308 A316 G317 V319 M334 | I256-L258 HydrophobicContact CG2-CD2 4.41Å; L258-A304 HydrophobicContact CD1-CB 4.34Å; L258-A304 HydrophobicContact CD2-CB 3.95Å; L258-A304 HydrophobicContact CG-CB 4.37Å; L258-V305 HydrophobicContact CD2-CG2 3.77Å; L258-A308 HydrophobicContact CD1-CB 3.86Å; L258-A316 WeakPolarHBondContact O-CA 3.22Å; L258-G317 PolarHBondContact N-O 3.43Å; L258-G317 PolarHBondContact O-N 3.38Å; L258-V319 HydrophobicContact CD1-CG2 3.59Å; L258-M334 HydrophobicContact CD1-CE 3.81Å |
| 259 | L | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 122.7 | 165.4 | -173.9 | 69.1 | 0 | 0 | 0 | 108.5 | A266 I267 Q356 L366 | L259-A266 WeakPolarHBondContact O-CA 3.48Å; L259-I267 HydrophobicContact CB-CG1 4.05Å; L259-I267 HydrophobicContact CD2-CD1 4.42Å; L259-I267 PolarHBondContact N-O 3.26Å; L259-I267 PolarHBondContact O-N 2.79Å; L259-Q356 HydrophobicContact CD1-CB 3.73Å; L259-Q356 HydrophobicContact CD2-CB 3.6Å; L259-Q356 HydrophobicContact CD2-CG 3.76Å; L259-Q356 HydrophobicContact CG-CB 4.3Å; L259-L366 HydrophobicContact CD2-CD2 3.65Å; L259-L366 HydrophobicContact CG-CD1 4.36Å; L259-L366 HydrophobicContact CG-CD2 3.79Å; L259-L366 WeakPolarHBondContact O-CD1 3.41Å |
| 260 | C | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.6 | -178 | -56 | 0 | 0 | 0 | 0 | 110 | N265 A266 Y313 S315 V360 | C260-N265 CarbonylContact C-O 3.53Å; C260-N265 VanDerWaalsContact CA-O 3.3Å; C260-N265 WeakPolarHBondContact CA-O 3.27Å; C260-A266 HydrophobicContact CB-CB 4.25Å; C260-A266 WeakPolarHBondContact SG-CB 3.32Å; C260-Y313 HydrophobicContact CB-CD1 4.21Å; C260-Y313 WeakPolarHBondContact CB-O 3.24Å; C260-S315 PolarHBondContact N-O 3.01Å; C260-S315 PolarHBondContact O-N 2.79Å; C260-V360 WeakPolarHBondContact O-CG1 3.23Å |
| 261 | D | 97.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | trans | -105.7 | 178.8 | 171 | 68.4 | 24.4 | 0 | 0 | 0 | 112.7 | H263 G264 N265 V360 P365 L366 | D261-H263 PolarHBondContact O-N 2.94Å; D261-H263 VanDerWaalsContact OD1-CA 3.32Å; D261-H263 WeakPolarHBondContact OD1-CA 3.36Å; D261-H263 WeakPolarHBondContact OD1-CB 3.43Å; D261-H263 PolarHBondContact OD1-N 2.77Å; D261-G264 PolarHBondContact OD1-N 3.09Å; D261-G264 VanDerWaalsContact OD1-N 3.14Å; D261-N265 PolarHBondContact N-O 2.89Å; D261-N265 WeakPolarHBondContact OD1-CB 3.38Å; D261-N265 PolarHBondContact OD1-N 3.19Å; D261-N265 PolarHBondContact OD1-ND2 2.75Å; D261-N265 WeakPolarHBondContact OD2-CB 3.37Å; D261-N265 PolarHBondContact OD2-ND2 2.86Å; D261-V360 HydrophobicContact CB-CG1 4.43Å; D261-V360 HydrophobicContact CB-CG2 4.05Å; D261-P365 VanDerWaalsContact OD2-CA 3.23Å; D261-P365 WeakPolarHBondContact OD2-CA 3.31Å; D261-L366 HydrophobicContact CB-CD2 4.26Å; D261-L366 HydrophobicContact CB-CG 3.88Å; D261-L366 PolarHBondContact OD2-N 2.74Å | ||
| 262 | R | 95.7 | Very high | 97.8 | Very high | 115 Ų | 115 | 21.6 Ų | 21.6 | 43% | 0.434 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3 | 177.8 | -67.5 | 179.8 | 160.7 | 161.3 | -4.2 | 113.9 | D314 G361 | R262-D314 HydrophobicContact CG-CB 3.89Å; R262-D314 IonicContact CZ-OD2 3.29Å; R262-D314 IonicContact NE-OD2 2.77Å; R262-D314 PolarHBondContact NE-OD2 2.58Å; R262-D314 IonicContact NH2-OD2 3.9Å; R262-D314 PolarHBondContact NH2-OD2 2.79Å; R262-D314 VanDerWaalsContact NH2-OD2 3.17Å; R262-G361 PolarHBondContact NH1-O 3.12Å |
| 263 | H | 96.6 | Very high | 97.9 | Very high | 111 Ų | 111 | 20.7 Ų | 20.7 | 51% | 0.514 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 6.4 | -177.9 | -57.5 | -87.1 | 0 | 0 | 0 | 111.9 | D261 G363 | D261-H263 PolarHBondContact O-N 2.94Å; D261-H263 VanDerWaalsContact OD1-CA 3.32Å; D261-H263 WeakPolarHBondContact OD1-CA 3.36Å; D261-H263 WeakPolarHBondContact OD1-CB 3.43Å; D261-H263 PolarHBondContact OD1-N 2.77Å; H263-G363 PolarHBondContact NE2-O 3.39Å |
| 264 | G | 94 | Very high | 97.9 | Very high | 56 Ų | 56 | 20 Ų | 20 | 58% | 0.577 | 11% | 0.109 | S | C | * | . | S | Bend | trans | 88.4 | 5.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D261 | D261-G264 PolarHBondContact OD1-N 3.09Å; D261-G264 VanDerWaalsContact OD1-N 3.14Å |
| 265 | N | 97.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 20.1 Ų | 20.1 | 41% | 0.412 | 11% | 0.109 | S | C | . | . | trans | -84.2 | 137.7 | 174.1 | -52.7 | -61.6 | 0 | 0 | 0 | 110 | C260 D261 L366 | C260-N265 CarbonylContact C-O 3.53Å; C260-N265 VanDerWaalsContact CA-O 3.3Å; C260-N265 WeakPolarHBondContact CA-O 3.27Å; D261-N265 PolarHBondContact N-O 2.89Å; D261-N265 WeakPolarHBondContact OD1-CB 3.38Å; D261-N265 PolarHBondContact OD1-N 3.19Å; D261-N265 PolarHBondContact OD1-ND2 2.75Å; D261-N265 WeakPolarHBondContact OD2-CB 3.37Å; D261-N265 PolarHBondContact OD2-ND2 2.86Å; N265-L366 HydrophobicContact CB-CB 4.43Å; N265-L366 HydrophobicContact CB-CD1 4.25Å; N265-L366 HydrophobicContact CB-CG 4.43Å | ||
| 266 | A | 98.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 20.2 Ų | 20.2 | 13% | 0.132 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L259 C260 V305 K309 | L259-A266 WeakPolarHBondContact O-CA 3.48Å; C260-A266 HydrophobicContact CB-CB 4.25Å; C260-A266 WeakPolarHBondContact SG-CB 3.32Å; A266-V305 HydrophobicContact CB-CG1 3.94Å; A266-K309 HydrophobicContact CB-CG 4.26Å |
| 267 | I | 98.5 | Very high | 97.6 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 158.2 | 176.7 | 64.8 | 176.6 | 0 | 0 | 0 | 109.9 | L259 L269 L366 L368 I373 | L259-I267 HydrophobicContact CB-CG1 4.05Å; L259-I267 HydrophobicContact CD2-CD1 4.42Å; L259-I267 PolarHBondContact N-O 3.26Å; L259-I267 PolarHBondContact O-N 2.79Å; I267-L269 HydrophobicContact CD1-CD2 4.01Å; I267-L269 HydrophobicContact CG1-CD2 4.42Å; I267-L366 HydrophobicContact CD1-CD1 4.38Å; I267-L366 HydrophobicContact CG1-CD1 4.1Å; I267-L368 HydrophobicContact CD1-CB 3.88Å; I267-I373 HydrophobicContact CD1-CD1 4.14Å; I267-I373 HydrophobicContact CD1-CG1 4.22Å |
| 268 | Y | 98.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 9% | 0.09 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.4 | 169.7 | 61.8 | -94.5 | 0 | 0 | 0 | 111.3 | I256 Q257 N270 G301 E302 V305 Q370 | I256-Y268 HydrophobicContact CG2-CG 4.33Å; Q257-Y268 CarbonylContact O-C 3.34Å; Q257-Y268 VanDerWaalsContact O-CA 3.24Å; Q257-Y268 WeakPolarHBondContact O-CA 3.43Å; Y268-N270 VanDerWaalsContact C-N 3.31Å; Y268-N270 PolarHBondContact O-N 2.86Å; Y268-G301 VanDerWaalsContact CD1-CA 3.45Å; Y268-G301 WeakPolarHBondContact CD1-O 3.23Å; Y268-E302 HydrophobicContact CE1-CG 4.45Å; Y268-V305 HydrophobicContact CD1-CG2 3.81Å; Y268-Q370 VanDerWaalsContact CD1-CD 3.5Å; Y268-Q370 HydrophobicContact CD1-CG 4.41Å; Y268-Q370 HydrophobicContact CE1-CG 3.75Å; Y268-Q370 VanDerWaalsContact CE1-OE1 3.22Å; Y268-Q370 VanDerWaalsContact CE2-NE2 3.34Å; Y268-Q370 PolarHBondContact O-NE2 3.15Å |
| 269 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 47.5 | 179.9 | -56.7 | -177.1 | 0 | 0 | 0 | 111.2 | Q257 I267 T345 T349 V351 I353 I373 | Q257-L269 HydrophobicContact CB-CB 4Å; Q257-L269 HydrophobicContact CG-CB 3.88Å; Q257-L269 HydrophobicContact CG-CD1 4.05Å; Q257-L269 HydrophobicContact CG-CG 4.29Å; Q257-L269 PolarHBondContact O-N 3.06Å; I267-L269 HydrophobicContact CD1-CD2 4.01Å; I267-L269 HydrophobicContact CG1-CD2 4.42Å; L269-T345 HydrophobicContact CB-CG2 3.53Å; L269-T345 HydrophobicContact CD1-CG2 4.27Å; L269-T345 VanDerWaalsContact O-CG2 3.26Å; L269-T345 WeakPolarHBondContact O-CG2 3.31Å; L269-T349 HydrophobicContact CB-CG2 4.12Å; L269-V351 HydrophobicContact CD1-CB 4.42Å; L269-V351 HydrophobicContact CD1-CG1 4.28Å; L269-V351 HydrophobicContact CD2-CG2 4.41Å; L269-I353 HydrophobicContact CD1-CD1 4.12Å; L269-I353 HydrophobicContact CD1-CG1 3.84Å; L269-I373 HydrophobicContact CD2-CD1 3.65Å; L269-I373 HydrophobicContact CD2-CG1 4.01Å; L269-I373 HydrophobicContact CD2-CG2 4.06Å |
| 270 | N | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | -167.2 | -175.1 | -54.3 | -49.6 | 0 | 0 | 0 | 113.4 | Q257 Y268 I348 P374 V375 | Q257-N270 PolarHBondContact N-O 3.11Å; Y268-N270 VanDerWaalsContact C-N 3.31Å; Y268-N270 PolarHBondContact O-N 2.86Å; N270-I348 HydrophobicContact CB-CD1 4.31Å; N270-P374 PolarHBondContact ND2-O 3.01Å; N270-V375 HydrophobicContact CB-CG2 4.35Å; N270-V375 WeakPolarHBondContact ND2-CG2 3.45Å |
| 271 | E | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 160.1 | -175.8 | 83.1 | -73.3 | -173.9 | 0 | 0 | 114.4 | I254 E255 I256 P288 S289 L292 R297 | I254-E271 HydrophobicContact CG2-CB 3.79Å; I254-E271 HydrophobicContact CG2-CG 3.84Å; E255-E271 CarbonylContact O-C 3.46Å; E255-E271 WeakPolarHBondContact O-CA 3.32Å; E255-E271 WeakPolarHBondContact O-CB 3.44Å; I256-E271 HydrophobicContact CD1-CB 3.65Å; E271-P288 WeakPolarHBondContact OE1-CA 3.43Å; E271-P288 WeakPolarHBondContact OE1-CB 3.39Å; E271-S289 PolarHBondContact OE1-N 3.4Å; E271-L292 HydrophobicContact CB-CD1 4.07Å; E271-L292 HydrophobicContact CG-CD1 3.67Å; E271-L292 HydrophobicContact CG-CG 4.39Å; E271-R297 IonicContact OE1-CZ 3.83Å; E271-R297 VanDerWaalsContact OE1-CZ 3.24Å; E271-R297 IonicContact OE1-NE 3.36Å; E271-R297 PolarHBondContact OE1-NE 2.69Å; E271-R297 IonicContact OE1-NH2 3.49Å; E271-R297 PolarHBondContact OE1-NH2 2.67Å; E271-R297 VanDerWaalsContact OE2-CD 3.22Å; E271-R297 WeakPolarHBondContact OE2-CD 3.46Å; E271-R297 WeakPolarHBondContact OE2-CG 3.47Å; E271-R297 IonicContact OE2-CZ 3.12Å; E271-R297 IonicContact OE2-NE 3.59Å; E271-R297 PolarHBondContact OE2-NE 2.89Å; E271-R297 IonicContact OE2-NH2 3.77Å |
| 272 | R | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.3 | 160.9 | -62.1 | -179.5 | -67.7 | -99.8 | 1 | 109.5 | I254 E255 E286 A287 T318 E341 I344 T345 | I254-R272 WeakPolarHBondContact CA-O 3.38Å; E255-R272 HydrophobicContact CG-CB 3.95Å; E255-R272 PolarHBondContact N-O 2.93Å; E255-R272 PolarHBondContact O-N 3.03Å; E255-R272 IonicContact OE1-CZ 3.94Å; E255-R272 IonicContact OE1-NE 2.7Å; E255-R272 PolarHBondContact OE1-NE 2.66Å; E255-R272 IonicContact OE1-NH2 3.6Å; E255-R272 PolarHBondContact OE1-NH2 2.69Å; R272-E286 CarbonylContact C-O 3.58Å; R272-E286 WeakPolarHBondContact CA-O 3.45Å; R272-A287 HydrophobicContact CG-CB 4.22Å; R272-T318 PolarHBondContact NH2-OG1 2.68Å; R272-T318 VanDerWaalsContact NH2-OG1 3.11Å; R272-E341 WeakPolarHBondContact CD-O 3.19Å; R272-E341 VanDerWaalsContact NE-CG 3.32Å; R272-I344 HydrophobicContact CB-CD1 4.21Å; R272-I344 HydrophobicContact CG-CD1 3.82Å; R272-I344 HydrophobicContact CG-CG1 4.11Å; R272-T345 WeakPolarHBondContact CD-OG1 3.42Å; R272-T345 WeakPolarHBondContact CG-OG1 3.35Å; R272-T345 PolarHBondContact NH1-OG1 2.97Å |
| 273 | E | 98.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117.2 | 170.9 | 178.2 | 159.7 | -160.9 | 0 | 0 | 109.6 | R252 I254 S275 E285 E286 S289 T290 I483 | R252-E273 WeakPolarHBondContact CD-OE1 3.45Å; R252-E273 IonicContact CZ-OE1 3.54Å; R252-E273 IonicContact NE-OE1 2.91Å; R252-E273 IonicContact NH1-OE1 3.63Å; R252-E273 PolarHBondContact NH1-OE1 3.07Å; R252-E273 IonicContact NH1-OE2 2.82Å; I254-E273 HydrophobicContact CG1-CB 4.3Å; I254-E273 HydrophobicContact CG1-CG 4.22Å; E273-S275 PolarHBondContact OE1-OG 2.81Å; E273-E285 WeakPolarHBondContact O-CA 3.15Å; E273-E286 HydrophobicContact CB-CG 3.84Å; E273-E286 HydrophobicContact CG-CG 4.41Å; E273-E286 PolarHBondContact N-O 3.48Å; E273-E286 PolarHBondContact O-N 3.16Å; E273-S289 WeakPolarHBondContact OE2-CA 3.4Å; E273-S289 WeakPolarHBondContact OE2-CB 3.09Å; E273-S289 PolarHBondContact OE2-OG 2.81Å; E273-T290 PolarHBondContact OE2-N 3.01Å; E273-I483 HydrophobicContact CG-CD1 4.23Å |
| 274 | C | 98 | Very high | 95 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 22.8 | -173.8 | -57 | 0 | 0 | 0 | 0 | 111.6 | H253 I276 K282 E285 | H253-C274 PolarHBondContact O-N 3.12Å; C274-I276 PolarHBondContact O-N 3.17Å; C274-K282 HydrophobicContact CB-CD 3.74Å; C274-K282 HydrophobicContact CB-CG 4.13Å; C274-E285 HydrophobicContact CB-CG 4.39Å |
| 275 | S | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -24.4 | -174.1 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | R252 H253 E273 Q277 T485 | R252-S275 WeakPolarHBondContact CA-OG 3.48Å; R252-S275 WeakPolarHBondContact CB-OG 3.13Å; H253-S275 PolarHBondContact N-OG 2.81Å; H253-S275 VanDerWaalsContact N-OG 3.12Å; E273-S275 PolarHBondContact OE1-OG 2.81Å; S275-Q277 PolarHBondContact O-N 3.2Å; S275-Q277 VanDerWaalsContact O-N 3.13Å; S275-T485 WeakPolarHBondContact O-CA 3.49Å |
| 276 | I | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 96.7 | 179.3 | -50.2 | -54.2 | 0 | 0 | 0 | 109.4 | C274 V283 I284 I472 F478 I483 Y487 L488 | C274-I276 PolarHBondContact O-N 3.17Å; I276-V283 HydrophobicContact CG2-CB 4.27Å; I276-V283 PolarHBondContact O-N 2.86Å; I276-I284 HydrophobicContact CB-CB 4.08Å; I276-I284 HydrophobicContact CG1-CB 4.38Å; I276-I284 HydrophobicContact CG2-CB 4.19Å; I276-I284 HydrophobicContact CG2-CG1 4.37Å; I276-I284 PolarHBondContact O-N 2.73Å; I276-I472 HydrophobicContact CG2-CD1 4.48Å; I276-F478 HydrophobicContact CD1-CD2 3.87Å; I276-F478 HydrophobicContact CD1-CE2 4.14Å; I276-F478 HydrophobicContact CG1-CD2 3.93Å; I276-F478 HydrophobicContact CG1-CE2 3.68Å; I276-I483 HydrophobicContact CD1-CB 3.94Å; I276-I483 HydrophobicContact CD1-CD1 3.97Å; I276-I483 HydrophobicContact CD1-CG2 3.97Å; I276-I483 HydrophobicContact CG1-CD1 4.32Å; I276-Y487 HydrophobicContact CD1-CD1 3.59Å; I276-Y487 HydrophobicContact CD1-CD2 4.35Å; I276-Y487 HydrophobicContact CD1-CE1 4.18Å; I276-Y487 HydrophobicContact CD1-CG 3.7Å; I276-Y487 HydrophobicContact CG2-CD1 4.43Å; I276-L488 HydrophobicContact CG2-CD1 4.46Å; I276-L488 HydrophobicContact CG2-CD2 4.15Å; I276-L488 HydrophobicContact CG2-CG 4.29Å |
| 277 | Q | 93.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 12% | 0.117 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.7 | -176.4 | 57.6 | 168.7 | 15.4 | 0 | 0 | 113.1 | S275 N280 Q281 T485 L488 | S275-Q277 PolarHBondContact O-N 3.2Å; S275-Q277 VanDerWaalsContact O-N 3.13Å; Q277-N280 PolarHBondContact NE2-OD1 3.14Å; Q277-Q281 CarbonylContact C-O 3.55Å; Q277-Q281 WeakPolarHBondContact CA-O 3.14Å; Q277-Q281 WeakPolarHBondContact CB-O 3.44Å; Q277-T485 HydrophobicContact CG-CG2 4.4Å; Q277-T485 VanDerWaalsContact NE2-CB 3.3Å; Q277-L488 WeakPolarHBondContact O-CD1 3.48Å |
| 278 | R | 88.9 | Confident | 95.3 | Very high | 24 Ų | 24 | 22.1 Ų | 22.1 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 113.9 | 172 | -179.6 | -179.3 | 67.4 | -145.7 | -1.6 | 109.3 | N280 Q281 V283 E387 F393 L488 | R278-N280 VanDerWaalsContact C-N 3.26Å; R278-N280 PolarHBondContact O-N 3.08Å; R278-Q281 PolarHBondContact N-O 2.76Å; R278-Q281 WeakPolarHBondContact O-CB 3.26Å; R278-Q281 PolarHBondContact O-N 2.85Å; R278-V283 HydrophobicContact CB-CG2 4.04Å; R278-E387 IonicContact CZ-OE1 2.79Å; R278-E387 IonicContact CZ-OE2 3.19Å; R278-E387 IonicContact NH1-OE1 2.67Å; R278-E387 PolarHBondContact NH1-OE1 3.23Å; R278-E387 IonicContact NH1-OE2 3.6Å; R278-E387 VanDerWaalsContact NH2-CD 3.34Å; R278-E387 IonicContact NH2-OE1 2.77Å; R278-E387 PolarHBondContact NH2-OE1 2.87Å; R278-E387 IonicContact NH2-OE2 2.75Å; R278-E387 PolarHBondContact NH2-OE2 3.23Å; R278-F393 WeakPolarHBondContact CD-O 3.22Å; R278-F393 HydrophobicContact CG-CD1 3.95Å; R278-F393 HydrophobicContact CG-CE1 4.32Å; R278-F393 PolarHBondContact NE-O 3.48Å; R278-F393 PolarHBondContact NH1-O 3.21Å; R278-L488 HydrophobicContact CB-CD1 3.92Å |
| 279 | R | 81.2 | Confident | 95.3 | Very high | 180 Ų | 180 | 21.1 Ų | 21.1 | 68% | 0.679 | 9% | 0.094 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 45.7 | -178.5 | -55.2 | 177.1 | -173.6 | 159.1 | 5.6 | 112.1 | Q281 A392 | R279-Q281 PolarHBondContact O-N 3.31Å; R279-A392 PolarHBondContact NH2-O 2.55Å |
| 280 | N | 83.4 | Confident | 95.2 | Very high | 87 Ų | 87 | 23.5 Ų | 23.5 | 47% | 0.465 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 10.5 | -174.6 | -46.7 | -48.8 | 0 | 0 | 0 | 116 | Q277 R278 | Q277-N280 PolarHBondContact NE2-OD1 3.14Å; R278-N280 VanDerWaalsContact C-N 3.26Å; R278-N280 PolarHBondContact O-N 3.08Å |
| 281 | Q | 86.9 | Confident | 95.1 | Very high | 78 Ų | 78 | 24.9 Ų | 24.9 | 36% | 0.364 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.2 | 169.4 | -175.6 | 58.4 | 63 | 0 | 0 | 109.4 | Q277 R278 R279 V283 | Q277-Q281 CarbonylContact C-O 3.55Å; Q277-Q281 WeakPolarHBondContact CA-O 3.14Å; Q277-Q281 WeakPolarHBondContact CB-O 3.44Å; R278-Q281 PolarHBondContact N-O 2.76Å; R278-Q281 WeakPolarHBondContact O-CB 3.26Å; R278-Q281 PolarHBondContact O-N 2.85Å; R279-Q281 PolarHBondContact O-N 3.31Å; Q281-V283 WeakPolarHBondContact O-CG2 3.47Å |
| 282 | K | 95.3 | Very high | 95 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 9% | 0.087 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 137 | 176.2 | -56.7 | 176.3 | -179.1 | 178.7 | 0 | 110.6 | E255 C274 E285 E320 E341 R383 | E255-K282 IonicContact OE1-NZ 3.86Å; E255-K282 IonicContact OE2-NZ 3.2Å; E255-K282 PolarHBondContact OE2-NZ 3.28Å; C274-K282 HydrophobicContact CB-CD 3.74Å; C274-K282 HydrophobicContact CB-CG 4.13Å; K282-E285 VanDerWaalsContact CB-OE1 3.24Å; K282-E285 WeakPolarHBondContact CB-OE1 3.31Å; K282-E320 IonicContact NZ-OE1 2.64Å; K282-E320 PolarHBondContact NZ-OE1 2.83Å; K282-E341 WeakPolarHBondContact CD-OE1 3.11Å; K282-E341 WeakPolarHBondContact CE-OE1 3.45Å; K282-E341 IonicContact NZ-OE1 3.72Å; K282-E341 PolarHBondContact NZ-OE1 3.08Å; K282-R383 WeakPolarHBondContact O-CD 3.2Å; K282-R383 PolarHBondContact O-NE 2.88Å |
| 283 | V | 97 | Very high | 94.8 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -46.3 | -173.8 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | I276 R278 Q281 R383 L469 L488 | I276-V283 HydrophobicContact CG2-CB 4.27Å; I276-V283 PolarHBondContact O-N 2.86Å; R278-V283 HydrophobicContact CB-CG2 4.04Å; Q281-V283 WeakPolarHBondContact O-CG2 3.47Å; V283-R383 PolarHBondContact O-N 3.45Å; V283-R383 VanDerWaalsContact O-N 3.08Å; V283-L469 HydrophobicContact CG1-CD2 3.62Å; V283-L488 HydrophobicContact CG2-CD1 4.23Å |
| 284 | I | 98.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.015 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.2 | 175.4 | -56.9 | -177.5 | 0 | 0 | 0 | 108.4 | I276 F380 E381 L469 I472 V473 F478 | I276-I284 HydrophobicContact CB-CB 4.08Å; I276-I284 HydrophobicContact CG1-CB 4.38Å; I276-I284 HydrophobicContact CG2-CB 4.19Å; I276-I284 HydrophobicContact CG2-CG1 4.37Å; I276-I284 PolarHBondContact O-N 2.73Å; I284-F380 HydrophobicContact CG2-CD1 4.45Å; I284-E381 WeakPolarHBondContact CA-O 3.28Å; I284-E381 WeakPolarHBondContact CG2-O 3.43Å; I284-L469 HydrophobicContact CD1-CD2 3.96Å; I284-L469 HydrophobicContact CG1-CD2 3.73Å; I284-I472 HydrophobicContact CD1-CB 3.96Å; I284-I472 HydrophobicContact CD1-CD1 4.2Å; I284-I472 HydrophobicContact CD1-CG2 3.66Å; I284-V473 HydrophobicContact CD1-CG1 4.13Å; I284-F478 HydrophobicContact CG2-CE2 4.22Å; I284-F478 HydrophobicContact CG2-CZ 3.82Å |
| 285 | E | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.2 | 177.4 | -57.7 | 86.6 | 171.2 | 0 | 0 | 110.5 | E273 C274 K282 E341 I344 F380 E381 R383 | E273-E285 WeakPolarHBondContact O-CA 3.15Å; C274-E285 HydrophobicContact CB-CG 4.39Å; K282-E285 VanDerWaalsContact CB-OE1 3.24Å; K282-E285 WeakPolarHBondContact CB-OE1 3.31Å; E285-E341 HydrophobicContact CB-CB 4.03Å; E285-E341 HydrophobicContact CG-CB 3.75Å; E285-E341 HydrophobicContact CG-CG 4.1Å; E285-I344 HydrophobicContact CB-CD1 3.61Å; E285-F380 CarbonylContact O-C 3.58Å; E285-F380 WeakPolarHBondContact O-CA 3.32Å; E285-E381 HydrophobicContact CB-CB 4.46Å; E285-E381 PolarHBondContact N-O 3.49Å; E285-E381 PolarHBondContact O-N 2.91Å; E285-R383 IonicContact OE1-CZ 3.08Å; E285-R383 IonicContact OE1-NE 3.66Å; E285-R383 PolarHBondContact OE1-NE 3.3Å; E285-R383 IonicContact OE1-NH2 2.84Å; E285-R383 PolarHBondContact OE1-NH2 3.29Å; E285-R383 IonicContact OE2-NE 3.66Å |
| 286 | E | 98.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.1 | 174.8 | 72.3 | 174.2 | 133.3 | 0 | 0 | 112.7 | R272 E273 W378 A379 F380 R443 | R272-E286 CarbonylContact C-O 3.58Å; R272-E286 WeakPolarHBondContact CA-O 3.45Å; E273-E286 HydrophobicContact CB-CG 3.84Å; E273-E286 HydrophobicContact CG-CG 4.41Å; E273-E286 PolarHBondContact N-O 3.48Å; E273-E286 PolarHBondContact O-N 3.16Å; E286-W378 PolarHBondContact OE2-NE1 3.16Å; E286-A379 WeakPolarHBondContact CA-O 3.36Å; E286-F380 HydrophobicContact CB-CD1 3.53Å; E286-F380 HydrophobicContact CB-CE1 3.38Å; E286-F380 HydrophobicContact CB-CG 4.37Å; E286-F380 HydrophobicContact CB-CZ 4.11Å; E286-F380 HydrophobicContact CG-CE1 4.19Å; E286-F380 WeakPolarHBondContact OE2-CE1 3.31Å; E286-F380 WeakPolarHBondContact OE2-CZ 3.23Å; E286-R443 IonicContact OE1-CZ 3.37Å; E286-R443 IonicContact OE1-NE 3.02Å; E286-R443 IonicContact OE1-NH2 2.76Å; E286-R443 PolarHBondContact OE1-NH2 2.81Å; E286-R443 IonicContact OE2-CZ 3.99Å; E286-R443 IonicContact OE2-NE 2.89Å; E286-R443 PolarHBondContact OE2-NE 3.43Å; E286-R443 IonicContact OE2-NH2 2.69Å; E286-R443 PolarHBondContact OE2-NH2 3.14Å |
| 287 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 128.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R272 I344 I348 W378 A379 | R272-A287 HydrophobicContact CG-CB 4.22Å; A287-I344 HydrophobicContact CB-CB 4.15Å; A287-I344 HydrophobicContact CB-CD1 3.96Å; A287-I344 HydrophobicContact CB-CG1 4.2Å; A287-I348 HydrophobicContact CB-CD1 3.76Å; A287-I348 HydrophobicContact CB-CG1 4.33Å; A287-I348 WeakPolarHBondContact O-CG2 3.41Å; A287-W378 CarbonylContact O-C 3.5Å; A287-W378 WeakPolarHBondContact O-CA 3.45Å; A287-A379 PolarHBondContact N-O 2.93Å; A287-A379 PolarHBondContact O-N 2.8Å |
| 288 | P | 98.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | S | Bend | cis | -70.6 | 176.4 | -6.7 | 32.9 | -38.3 | 0 | 0 | 0 | 113.1 | E271 V375 G377 W378 | E271-P288 WeakPolarHBondContact OE1-CA 3.43Å; E271-P288 WeakPolarHBondContact OE1-CB 3.39Å; P288-V375 HydrophobicContact CB-CG1 4.04Å; P288-V375 HydrophobicContact CG-CG1 3.75Å; P288-G377 WeakPolarHBondContact CD-O 3.3Å; P288-W378 HydrophobicContact CG-CD2 3.96Å; P288-W378 HydrophobicContact CG-CE3 3.84Å; P288-W378 HydrophobicContact CG-CH2 3.86Å; P288-W378 HydrophobicContact CG-CZ2 3.96Å; P288-W378 HydrophobicContact CG-CZ3 3.81Å; P288-W378 VanDerWaalsContact O-CE2 3.28Å; P288-W378 VanDerWaalsContact O-CZ2 3.22Å; P288-W378 WeakPolarHBondContact O-CZ2 3.43Å; P288-W378 PolarHBondContact O-NE1 2.64Å |
| 289 | S | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -74.8 | 142.1 | 169.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | I254 E271 E273 F291 | I254-S289 WeakPolarHBondContact CD1-OG 3.37Å; E271-S289 PolarHBondContact OE1-N 3.4Å; E273-S289 WeakPolarHBondContact OE2-CA 3.4Å; E273-S289 WeakPolarHBondContact OE2-CB 3.09Å; E273-S289 PolarHBondContact OE2-OG 2.81Å; S289-F291 PolarHBondContact O-N 3.2Å; S289-F291 PolarHBondContact OG-N 2.89Å | ||
| 290 | T | 96.1 | Very high | 96 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -69.7 | -20.2 | 170.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | R252 E273 W378 R443 | R252-T290 PolarHBondContact NH1-OG1 2.7Å; E273-T290 PolarHBondContact OE2-N 3.01Å; T290-W378 HydrophobicContact CG2-CH2 4.2Å; T290-W378 HydrophobicContact CG2-CZ2 3.67Å; T290-R443 VanDerWaalsContact CG2-CD 3.45Å |
| 291 | F | 96.2 | Very high | 96.7 | Very high | 35 Ų | 35 | 29.3 Ų | 29.3 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -91.6 | -24.6 | -171.5 | -159.2 | -114.6 | 0 | 0 | 0 | 113.3 | I254 S289 V323 D324 R327 | I254-F291 HydrophobicContact CD1-CB 4.37Å; S289-F291 PolarHBondContact O-N 3.2Å; S289-F291 PolarHBondContact OG-N 2.89Å; F291-V323 HydrophobicContact CD1-CG1 3.92Å; F291-V323 HydrophobicContact CE1-CG1 3.83Å; F291-D324 WeakPolarHBondContact CE1-O 3.19Å; F291-R327 HydrophobicContact CD1-CG 4.31Å; F291-R327 HydrophobicContact CE1-CB 4.46Å; F291-R327 HydrophobicContact CE1-CG 3.61Å; F291-R327 HydrophobicContact CZ-CG 3.85Å |
| 292 | L | 96.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | trans | -90.1 | 122.4 | -176.7 | -57.2 | -161 | 0 | 0 | 0 | 112.9 | I254 E271 L296 R297 M300 | I254-L292 HydrophobicContact CD1-CD2 3.76Å; I254-L292 HydrophobicContact CD1-CG 4.08Å; I254-L292 HydrophobicContact CG2-CD1 3.92Å; I254-L292 HydrophobicContact CG2-CG 4.34Å; E271-L292 HydrophobicContact CB-CD1 4.07Å; E271-L292 HydrophobicContact CG-CD1 3.67Å; E271-L292 HydrophobicContact CG-CG 4.39Å; L292-L296 HydrophobicContact CD2-CD2 3.54Å; L292-L296 HydrophobicContact CD2-CG 3.95Å; L292-R297 HydrophobicContact CB-CB 4.41Å; L292-R297 HydrophobicContact CD1-CB 4.27Å; L292-R297 PolarHBondContact O-NH1 3.26Å; L292-R297 PolarHBondContact O-NH2 3.36Å; L292-M300 HydrophobicContact CD1-CE 4.27Å; L292-M300 HydrophobicContact CD1-SD 3.52Å; L292-M300 VanDerWaalsContact CD1-SD 3.52Å; L292-M300 HydrophobicContact CD2-SD 3.82Å; L292-M300 HydrophobicContact CG-SD 4.36Å | ||
| 293 | D | 95.2 | Very high | 97.4 | Very high | 69 Ų | 69 | 31.2 Ų | 31.2 | 37% | 0.369 | 18% | 0.178 | S | C | . | . | trans | -77.7 | 173.8 | 161.7 | 62.8 | 52.8 | 0 | 0 | 0 | 111.9 | G295 L296 R297 R327 | D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 3.3Å; D293-G295 PolarHBondContact OD1-N 3.25Å; D293-L296 WeakPolarHBondContact OD1-CB 3.25Å; D293-L296 PolarHBondContact OD1-N 2.91Å; D293-R297 VanDerWaalsContact C-NH1 3.29Å; D293-R297 VanDerWaalsContact O-CB 3.24Å; D293-R297 WeakPolarHBondContact O-CB 3.33Å; D293-R297 PolarHBondContact O-N 2.81Å; D293-R297 PolarHBondContact O-NH1 3.08Å; D293-R327 IonicContact OD2-NH1 2.91Å; D293-R327 PolarHBondContact OD2-NH1 3.15Å | ||
| 294 | S | 94.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 31 Ų | 31 | 69% | 0.692 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -63.6 | -34.8 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | K298 | S294-K298 VanDerWaalsContact O-CB 3.3Å; S294-K298 WeakPolarHBondContact O-CB 3.36Å; S294-K298 PolarHBondContact O-N 3.31Å; S294-K298 VanDerWaalsContact O-N 3.08Å |
| 295 | G | 96.6 | Very high | 97.5 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 45% | 0.454 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70 | -47.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D293 K298 A299 | D293-G295 VanDerWaalsContact C-N 3.32Å; D293-G295 PolarHBondContact O-N 3.3Å; D293-G295 PolarHBondContact OD1-N 3.25Å; G295-K298 PolarHBondContact O-N 2.84Å; G295-A299 PolarHBondContact O-N 3.45Å |
| 296 | L | 96.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -44.8 | 178.5 | -173.5 | 58.9 | 0 | 0 | 0 | 112 | L292 D293 K298 A299 M300 R327 F329 | L292-L296 HydrophobicContact CD2-CD2 3.54Å; L292-L296 HydrophobicContact CD2-CG 3.95Å; D293-L296 WeakPolarHBondContact OD1-CB 3.25Å; D293-L296 PolarHBondContact OD1-N 2.91Å; L296-K298 VanDerWaalsContact C-N 3.31Å; L296-K298 PolarHBondContact O-N 2.88Å; L296-A299 PolarHBondContact O-N 2.98Å; L296-M300 HydrophobicContact CG-SD 4.28Å; L296-M300 WeakPolarHBondContact O-CG 3.46Å; L296-M300 PolarHBondContact O-N 3.16Å; L296-R327 HydrophobicContact CD2-CB 3.81Å; L296-R327 HydrophobicContact CD2-CG 4.23Å; L296-F329 HydrophobicContact CD1-CD1 3.48Å; L296-F329 VanDerWaalsContact CD1-CD1 3.48Å; L296-F329 HydrophobicContact CD1-CE1 3.69Å |
| 297 | R | 97.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 33.8 Ų | 33.8 | 12% | 0.121 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.5 | -46.3 | 173.8 | 177 | -178.5 | -65.5 | 91.9 | 2.7 | 111.8 | E271 L292 D293 M300 G301 | E271-R297 IonicContact OE1-CZ 3.83Å; E271-R297 VanDerWaalsContact OE1-CZ 3.24Å; E271-R297 IonicContact OE1-NE 3.36Å; E271-R297 PolarHBondContact OE1-NE 2.69Å; E271-R297 IonicContact OE1-NH2 3.49Å; E271-R297 PolarHBondContact OE1-NH2 2.67Å; E271-R297 VanDerWaalsContact OE2-CD 3.22Å; E271-R297 WeakPolarHBondContact OE2-CD 3.46Å; E271-R297 WeakPolarHBondContact OE2-CG 3.47Å; E271-R297 IonicContact OE2-CZ 3.12Å; E271-R297 IonicContact OE2-NE 3.59Å; E271-R297 PolarHBondContact OE2-NE 2.89Å; E271-R297 IonicContact OE2-NH2 3.77Å; L292-R297 HydrophobicContact CB-CB 4.41Å; L292-R297 HydrophobicContact CD1-CB 4.27Å; L292-R297 PolarHBondContact O-NH1 3.26Å; L292-R297 PolarHBondContact O-NH2 3.36Å; D293-R297 VanDerWaalsContact C-NH1 3.29Å; D293-R297 VanDerWaalsContact O-CB 3.24Å; D293-R297 WeakPolarHBondContact O-CB 3.33Å; D293-R297 PolarHBondContact O-N 2.81Å; D293-R297 PolarHBondContact O-NH1 3.08Å; R297-M300 PolarHBondContact O-N 3.46Å; R297-G301 PolarHBondContact O-N 3.38Å |
| 298 | K | 97.7 | Very high | 97.4 | Very high | 110 Ų | 110 | 33.8 Ų | 33.8 | 48% | 0.478 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 176.8 | -178.9 | 176.8 | 173.9 | -179.1 | 0 | 111.4 | S294 G295 L296 M300 G301 E302 | S294-K298 VanDerWaalsContact O-CB 3.3Å; S294-K298 WeakPolarHBondContact O-CB 3.36Å; S294-K298 PolarHBondContact O-N 3.31Å; S294-K298 VanDerWaalsContact O-N 3.08Å; G295-K298 PolarHBondContact O-N 2.84Å; L296-K298 VanDerWaalsContact C-N 3.31Å; L296-K298 PolarHBondContact O-N 2.88Å; K298-M300 VanDerWaalsContact C-N 3.35Å; K298-M300 PolarHBondContact O-N 3.31Å; K298-G301 PolarHBondContact O-N 2.99Å; K298-E302 WeakPolarHBondContact CE-OE1 3.28Å; K298-E302 HydrophobicContact CG-CG 4.29Å; K298-E302 IonicContact NZ-OE1 3.74Å; K298-E302 WeakPolarHBondContact O-CB 3.29Å; K298-E302 WeakPolarHBondContact O-CG 3.33Å; K298-E302 PolarHBondContact O-N 3.19Å |
| 299 | A | 98.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 39 Ų | 39 | 26% | 0.256 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G295 L296 Q303 F329 | G295-A299 PolarHBondContact O-N 3.45Å; L296-A299 PolarHBondContact O-N 2.98Å; A299-Q303 WeakPolarHBondContact O-CG 3.39Å; A299-Q303 PolarHBondContact O-N 2.7Å; A299-Q303 VanDerWaalsContact O-N 3.09Å; A299-F329 HydrophobicContact CB-CE1 4.22Å; A299-F329 HydrophobicContact CB-CZ 4.11Å |
| 300 | M | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 174.8 | -69.4 | 176.3 | 67.7 | 0 | 0 | 111.5 | I254 I256 L292 L296 R297 K298 Q303 A304 F321 V323 F329 | I254-M300 HydrophobicContact CB-CE 4.2Å; I254-M300 HydrophobicContact CG2-CE 3.9Å; I256-M300 HydrophobicContact CD1-CB 3.95Å; I256-M300 HydrophobicContact CD1-CE 4.49Å; I256-M300 HydrophobicContact CG1-CB 4.02Å; L292-M300 HydrophobicContact CD1-CE 4.27Å; L292-M300 HydrophobicContact CD1-SD 3.52Å; L292-M300 VanDerWaalsContact CD1-SD 3.52Å; L292-M300 HydrophobicContact CD2-SD 3.82Å; L292-M300 HydrophobicContact CG-SD 4.36Å; L296-M300 HydrophobicContact CG-SD 4.28Å; L296-M300 WeakPolarHBondContact O-CG 3.46Å; L296-M300 PolarHBondContact O-N 3.16Å; R297-M300 PolarHBondContact O-N 3.46Å; K298-M300 VanDerWaalsContact C-N 3.35Å; K298-M300 PolarHBondContact O-N 3.31Å; M300-Q303 PolarHBondContact O-N 3.31Å; M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 3.08Å; M300-F321 HydrophobicContact CE-CB 3.84Å; M300-F321 HydrophobicContact CE-CD2 3.61Å; M300-F321 HydrophobicContact CE-CE2 4.38Å; M300-F321 HydrophobicContact CE-CG 3.87Å; M300-V323 HydrophobicContact CE-CG2 4.12Å; M300-V323 HydrophobicContact SD-CG2 4.38Å; M300-F329 HydrophobicContact CB-CE2 4.39Å; M300-F329 HydrophobicContact CG-CB 4.29Å; M300-F329 HydrophobicContact CG-CD1 3.92Å; M300-F329 HydrophobicContact CG-CD2 3.61Å; M300-F329 HydrophobicContact CG-CE1 4.03Å; M300-F329 HydrophobicContact CG-CE2 3.72Å; M300-F329 HydrophobicContact CG-CG 3.67Å; M300-F329 HydrophobicContact CG-CZ 3.92Å; M300-F329 HydrophobicContact SD-CB 4.26Å; M300-F329 HydrophobicContact SD-CG 4.25Å |
| 301 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y268 R297 K298 A304 V305 | Y268-G301 VanDerWaalsContact CD1-CA 3.45Å; Y268-G301 WeakPolarHBondContact CD1-O 3.23Å; R297-G301 PolarHBondContact O-N 3.38Å; K298-G301 PolarHBondContact O-N 2.99Å; G301-A304 PolarHBondContact O-N 3.21Å; G301-V305 WeakPolarHBondContact O-CG2 3.39Å; G301-V305 PolarHBondContact O-N 2.98Å |
| 302 | E | 98.4 | Very high | 97.1 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.8 | -72.8 | 178.1 | 162.2 | 0 | 0 | 112.1 | Y268 K298 V305 S306 | Y268-E302 HydrophobicContact CE1-CG 4.45Å; K298-E302 WeakPolarHBondContact CE-OE1 3.28Å; K298-E302 HydrophobicContact CG-CG 4.29Å; K298-E302 IonicContact NZ-OE1 3.74Å; K298-E302 WeakPolarHBondContact O-CB 3.29Å; K298-E302 WeakPolarHBondContact O-CG 3.33Å; K298-E302 PolarHBondContact O-N 3.19Å; E302-V305 PolarHBondContact O-N 3.35Å; E302-S306 WeakPolarHBondContact O-CB 3.28Å; E302-S306 PolarHBondContact O-N 3.46Å |
| 303 | Q | 98.4 | Very high | 97.2 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 15% | 0.154 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 174.3 | -73.1 | -171.5 | 25.7 | 0 | 0 | 112 | V173 N174 A299 M300 V305 S306 L307 F329 | V173-Q303 HydrophobicContact CG1-CB 4.39Å; V173-Q303 HydrophobicContact CG2-CB 4.3Å; V173-Q303 WeakPolarHBondContact CG2-O 3.38Å; N174-Q303 PolarHBondContact ND2-NE2 2.9Å; A299-Q303 WeakPolarHBondContact O-CG 3.39Å; A299-Q303 PolarHBondContact O-N 2.7Å; A299-Q303 VanDerWaalsContact O-N 3.09Å; M300-Q303 PolarHBondContact O-N 3.31Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 2.73Å; Q303-S306 WeakPolarHBondContact O-CB 3.36Å; Q303-S306 PolarHBondContact O-N 3.05Å; Q303-L307 PolarHBondContact O-N 3.05Å; Q303-F329 HydrophobicContact CG-CE2 4.46Å; Q303-F329 VanDerWaalsContact NE2-CZ 3.33Å; Q303-F329 VanDerWaalsContact OE1-CE2 3.26Å |
| 304 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I256 L258 M300 G301 L307 A308 V319 F321 | I256-A304 HydrophobicContact CB-CB 3.91Å; I256-A304 HydrophobicContact CG1-CB 4.33Å; I256-A304 HydrophobicContact CG2-CB 3.79Å; L258-A304 HydrophobicContact CD1-CB 4.34Å; L258-A304 HydrophobicContact CD2-CB 3.95Å; L258-A304 HydrophobicContact CG-CB 4.37Å; M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 3.08Å; G301-A304 PolarHBondContact O-N 3.21Å; A304-L307 PolarHBondContact O-N 3.15Å; A304-A308 PolarHBondContact O-N 3.22Å; A304-V319 HydrophobicContact CB-CB 3.84Å; A304-V319 HydrophobicContact CB-CG1 4.32Å; A304-V319 HydrophobicContact CB-CG2 3.86Å; A304-F321 HydrophobicContact CB-CE2 4.42Å; A304-F321 HydrophobicContact CB-CZ 4.5Å |
| 305 | V | 98.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -39 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | L258 A266 Y268 G301 E302 Q303 L307 A308 K309 | L258-V305 HydrophobicContact CD2-CG2 3.77Å; A266-V305 HydrophobicContact CB-CG1 3.94Å; Y268-V305 HydrophobicContact CD1-CG2 3.81Å; G301-V305 WeakPolarHBondContact O-CG2 3.39Å; G301-V305 PolarHBondContact O-N 2.98Å; E302-V305 PolarHBondContact O-N 3.35Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 2.73Å; V305-L307 VanDerWaalsContact C-N 3.35Å; V305-L307 PolarHBondContact O-N 3.13Å; V305-A308 PolarHBondContact O-N 3.22Å; V305-K309 HydrophobicContact CG1-CD 4.14Å; V305-K309 HydrophobicContact CG1-CG 4.45Å; V305-K309 WeakPolarHBondContact O-CG 3.19Å; V305-K309 PolarHBondContact O-N 3.05Å |
| 306 | S | 98 | Very high | 97.5 | Very high | 47 Ų | 47 | 34 Ų | 34 | 33% | 0.329 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | A171 E302 Q303 K309 A310 | A171-S306 PolarHBondContact O-OG 3.43Å; E302-S306 WeakPolarHBondContact O-CB 3.28Å; E302-S306 PolarHBondContact O-N 3.46Å; Q303-S306 WeakPolarHBondContact O-CB 3.36Å; Q303-S306 PolarHBondContact O-N 3.05Å; S306-K309 PolarHBondContact O-N 3.01Å; S306-A310 PolarHBondContact O-N 2.82Å |
| 307 | L | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -47.7 | 176.3 | -178 | 55.9 | 0 | 0 | 0 | 112.1 | M158 I167 A168 V173 Q303 A304 V305 K309 A310 V311 V319 F331 M334 | M158-L307 HydrophobicContact CE-CD1 4.14Å; M158-L307 HydrophobicContact SD-CD1 4.12Å; M158-L307 HydrophobicContact SD-CD2 4.35Å; M158-L307 HydrophobicContact SD-CG 4.31Å; I167-L307 HydrophobicContact CG2-CD1 3.91Å; A168-L307 HydrophobicContact CB-CD1 4.22Å; V173-L307 HydrophobicContact CG2-CB 3.94Å; Q303-L307 PolarHBondContact O-N 3.05Å; A304-L307 PolarHBondContact O-N 3.15Å; V305-L307 VanDerWaalsContact C-N 3.35Å; V305-L307 PolarHBondContact O-N 3.13Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 3.38Å; L307-A310 WeakPolarHBondContact O-CB 3.39Å; L307-A310 PolarHBondContact O-N 2.7Å; L307-A310 VanDerWaalsContact O-N 3.14Å; L307-V311 PolarHBondContact O-N 3.31Å; L307-V319 HydrophobicContact CD2-CG1 4.14Å; L307-V319 HydrophobicContact CD2-CG2 4.03Å; L307-F331 HydrophobicContact CD2-CD2 3.97Å; L307-F331 HydrophobicContact CD2-CE2 3.4Å; L307-F331 VanDerWaalsContact CD2-CE2 3.4Å; L307-F331 HydrophobicContact CD2-CZ 3.87Å; L307-M334 HydrophobicContact CD2-CB 4.43Å; L307-M334 HydrophobicContact CD2-SD 4.32Å; L307-M334 HydrophobicContact CG-SD 4.32Å |
| 308 | A | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L258 A304 V305 A310 V311 N312 Y313 M334 | L258-A308 HydrophobicContact CD1-CB 3.86Å; A304-A308 PolarHBondContact O-N 3.22Å; V305-A308 PolarHBondContact O-N 3.22Å; A308-A310 VanDerWaalsContact C-N 3.35Å; A308-A310 PolarHBondContact O-N 3.44Å; A308-V311 WeakPolarHBondContact O-CG2 3.15Å; A308-V311 PolarHBondContact O-N 2.67Å; A308-N312 PolarHBondContact O-N 3.28Å; A308-Y313 VanDerWaalsContact O-CB 3.24Å; A308-Y313 WeakPolarHBondContact O-CB 3.47Å; A308-Y313 PolarHBondContact O-N 3.32Å; A308-M334 HydrophobicContact CB-CE 4.36Å |
| 309 | K | 96.9 | Very high | 97.6 | Very high | 114 Ų | 114 | 26.4 Ų | 26.4 | 50% | 0.496 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.7 | -37.9 | 175.9 | -73.8 | -179.1 | 176.1 | -177.6 | 0 | 112.3 | A266 V305 S306 L307 V311 N312 | A266-K309 HydrophobicContact CB-CG 4.26Å; V305-K309 HydrophobicContact CG1-CD 4.14Å; V305-K309 HydrophobicContact CG1-CG 4.45Å; V305-K309 WeakPolarHBondContact O-CG 3.19Å; V305-K309 PolarHBondContact O-N 3.05Å; S306-K309 PolarHBondContact O-N 3.01Å; L307-K309 VanDerWaalsContact C-N 3.32Å; L307-K309 PolarHBondContact O-N 3.38Å; K309-V311 PolarHBondContact O-N 2.85Å; K309-N312 PolarHBondContact O-N 3.06Å; K309-N312 VanDerWaalsContact O-N 3.07Å |
| 310 | A | 96.1 | Very high | 97.6 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 45% | 0.446 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.7 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I167 A171 S306 L307 A308 | I167-A310 HydrophobicContact CG2-CB 3.89Å; A171-A310 HydrophobicContact CB-CB 4.04Å; S306-A310 PolarHBondContact O-N 2.82Å; L307-A310 WeakPolarHBondContact O-CB 3.39Å; L307-A310 PolarHBondContact O-N 2.7Å; L307-A310 VanDerWaalsContact O-N 3.14Å; A308-A310 VanDerWaalsContact C-N 3.35Å; A308-A310 PolarHBondContact O-N 3.44Å |
| 311 | V | 95.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 8.8 | 175.9 | -61.4 | 0 | 0 | 0 | 0 | 114.7 | A154 A157 M158 I167 L307 A308 K309 Y313 | A154-V311 HydrophobicContact CB-CB 4.45Å; A154-V311 HydrophobicContact CB-CG2 4.22Å; A157-V311 HydrophobicContact CB-CG1 4.26Å; M158-V311 HydrophobicContact CE-CG1 3.64Å; I167-V311 HydrophobicContact CD1-CG1 3.97Å; I167-V311 HydrophobicContact CG2-CG1 3.79Å; L307-V311 PolarHBondContact O-N 3.31Å; A308-V311 WeakPolarHBondContact O-CG2 3.15Å; A308-V311 PolarHBondContact O-N 2.67Å; K309-V311 PolarHBondContact O-N 2.85Å; V311-Y313 HydrophobicContact CG2-CD2 4.09Å; V311-Y313 PolarHBondContact O-N 2.73Å |
| 312 | N | 95.6 | Very high | 97.4 | Very high | 122 Ų | 122 | 26.5 Ų | 26.5 | 65% | 0.652 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 48.6 | -171.5 | -56.2 | -66.3 | 0 | 0 | 0 | 111.3 | N151 A308 K309 | N151-N312 PolarHBondContact ND2-O 2.87Å; A308-N312 PolarHBondContact O-N 3.28Å; K309-N312 PolarHBondContact O-N 3.06Å; K309-N312 VanDerWaalsContact O-N 3.07Å |
| 313 | Y | 97.5 | Very high | 97.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | trans | -63.9 | 141.1 | -179.4 | -159.2 | -91.7 | 0 | 0 | 0 | 110.7 | P150 A154 C260 A308 V311 A316 G317 M334 T336 | P150-Y313 HydrophobicContact CB-CD1 4.49Å; P150-Y313 HydrophobicContact CB-CD2 3.97Å; P150-Y313 HydrophobicContact CB-CE1 4.05Å; P150-Y313 HydrophobicContact CB-CE2 3.47Å; P150-Y313 VanDerWaalsContact CB-CE2 3.47Å; P150-Y313 HydrophobicContact CB-CG 4.44Å; P150-Y313 HydrophobicContact CG-CE1 4.45Å; P150-Y313 HydrophobicContact CG-CE2 3.7Å; P150-Y313 VanDerWaalsContact CG-OH 3.31Å; P150-Y313 WeakPolarHBondContact CG-OH 3.49Å; A154-Y313 HydrophobicContact CB-CD2 3.9Å; A154-Y313 HydrophobicContact CB-CE2 4.43Å; C260-Y313 HydrophobicContact CB-CD1 4.21Å; C260-Y313 WeakPolarHBondContact CB-O 3.24Å; A308-Y313 VanDerWaalsContact O-CB 3.24Å; A308-Y313 WeakPolarHBondContact O-CB 3.47Å; A308-Y313 PolarHBondContact O-N 3.32Å; V311-Y313 HydrophobicContact CG2-CD2 4.09Å; V311-Y313 PolarHBondContact O-N 2.73Å; Y313-A316 WeakPolarHBondContact CE1-O 3.07Å; Y313-A316 PolarHBondContact OH-O 2.93Å; Y313-G317 VanDerWaalsContact OH-CA 3.23Å; Y313-G317 WeakPolarHBondContact OH-CA 3.47Å; Y313-M334 HydrophobicContact CD1-CE 3.97Å; Y313-M334 HydrophobicContact CD2-CE 3.31Å; Y313-M334 HydrophobicContact CD2-SD 4.18Å; Y313-M334 HydrophobicContact CE1-CE 4Å; Y313-M334 HydrophobicContact CE2-CE 3.34Å; Y313-M334 HydrophobicContact CE2-SD 4.25Å; Y313-M334 HydrophobicContact CG-CE 3.64Å; Y313-T336 HydrophobicContact CE2-CG2 3.9Å; Y313-T336 VanDerWaalsContact OH-C 3.3Å; Y313-T336 WeakPolarHBondContact OH-CA 3.48Å | ||
| 314 | D | 96.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | trans | -129.2 | 159.2 | 171.1 | 57.9 | -33.4 | 0 | 0 | 0 | 109.8 | P150 N151 R262 V360 | P150-D314 WeakPolarHBondContact CA-O 3.25Å; P150-D314 WeakPolarHBondContact CA-OD1 3.41Å; P150-D314 WeakPolarHBondContact CB-O 3.33Å; N151-D314 WeakPolarHBondContact CB-OD1 3.12Å; N151-D314 PolarHBondContact N-OD1 3.32Å; N151-D314 PolarHBondContact ND2-OD1 3.23Å; R262-D314 HydrophobicContact CG-CB 3.89Å; R262-D314 IonicContact CZ-OD2 3.29Å; R262-D314 IonicContact NE-OD2 2.77Å; R262-D314 PolarHBondContact NE-OD2 2.58Å; R262-D314 IonicContact NH2-OD2 3.9Å; R262-D314 PolarHBondContact NH2-OD2 2.79Å; R262-D314 VanDerWaalsContact NH2-OD2 3.17Å; D314-V360 HydrophobicContact CB-CG1 4.46Å | ||
| 315 | S | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | -164 | -176 | -158.7 | 0 | 0 | 0 | 0 | 113.9 | G149 C260 M357 | G149-S315 WeakPolarHBondContact O-CB 3.17Å; C260-S315 PolarHBondContact N-O 3.01Å; C260-S315 PolarHBondContact O-N 2.79Å; S315-M357 WeakPolarHBondContact OG-CG 3.29Å |
| 316 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 146 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L258 Y313 I353 M357 | L258-A316 WeakPolarHBondContact O-CA 3.22Å; Y313-A316 WeakPolarHBondContact CE1-O 3.07Å; Y313-A316 PolarHBondContact OH-O 2.93Å; A316-I353 HydrophobicContact CB-CG2 3.66Å; A316-M357 HydrophobicContact CB-CE 4.48Å; A316-M357 HydrophobicContact CB-CG 3.65Å; A316-M357 HydrophobicContact CB-SD 3.66Å |
| 317 | G | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 172.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q257 L258 Y313 N335 | Q257-G317 PolarHBondContact NE2-O 3.27Å; L258-G317 PolarHBondContact N-O 3.43Å; L258-G317 PolarHBondContact O-N 3.38Å; Y313-G317 VanDerWaalsContact OH-CA 3.23Å; Y313-G317 WeakPolarHBondContact OH-CA 3.47Å; G317-N335 WeakPolarHBondContact CA-O 3.45Å |
| 318 | T | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.5 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111 | E255 I256 Q257 R272 M334 N335 Q339 | E255-T318 HydrophobicContact CB-CG2 3.59Å; E255-T318 HydrophobicContact CG-CG2 3.73Å; I256-T318 VanDerWaalsContact O-CA 3.3Å; I256-T318 WeakPolarHBondContact O-CA 3.35Å; I256-T318 VanDerWaalsContact O-CG2 3.24Å; I256-T318 WeakPolarHBondContact O-CG2 3.38Å; Q257-T318 PolarHBondContact OE1-OG1 3.04Å; R272-T318 PolarHBondContact NH2-OG1 2.68Å; R272-T318 VanDerWaalsContact NH2-OG1 3.11Å; T318-M334 CarbonylContact O-C 3.41Å; T318-M334 VanDerWaalsContact O-CA 3.3Å; T318-M334 WeakPolarHBondContact O-CA 3.47Å; T318-N335 PolarHBondContact N-O 3.08Å; T318-N335 VanDerWaalsContact N-O 3.08Å; T318-N335 PolarHBondContact O-N 2.97Å; T318-Q339 PolarHBondContact OG1-OE1 3.32Å |
| 319 | V | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.9 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | E255 I256 L258 A304 L307 F321 F331 M334 | E255-V319 CarbonylContact C-O 3.57Å; E255-V319 WeakPolarHBondContact CA-O 3.47Å; I256-V319 PolarHBondContact N-O 3.45Å; I256-V319 PolarHBondContact O-N 3.46Å; I256-V319 VanDerWaalsContact O-N 3.08Å; L258-V319 HydrophobicContact CD1-CG2 3.59Å; A304-V319 HydrophobicContact CB-CB 3.84Å; A304-V319 HydrophobicContact CB-CG1 4.32Å; A304-V319 HydrophobicContact CB-CG2 3.86Å; L307-V319 HydrophobicContact CD2-CG1 4.14Å; L307-V319 HydrophobicContact CD2-CG2 4.03Å; V319-F321 HydrophobicContact CB-CE2 4.02Å; V319-F321 HydrophobicContact CB-CZ 4.37Å; V319-F321 HydrophobicContact CG1-CD2 4.23Å; V319-F321 HydrophobicContact CG1-CE1 4.17Å; V319-F321 HydrophobicContact CG1-CE2 3.46Å; V319-F321 VanDerWaalsContact CG1-CE2 3.46Å; V319-F321 HydrophobicContact CG1-CZ 3.43Å; V319-F321 VanDerWaalsContact CG1-CZ 3.43Å; V319-F331 HydrophobicContact CG1-CD2 3.65Å; V319-F331 HydrophobicContact CG1-CE2 3.85Å; V319-M334 HydrophobicContact CG2-CB 4.38Å; V319-M334 HydrophobicContact CG2-CE 4.39Å; V319-M334 HydrophobicContact CG2-CG 3.97Å; V319-M334 HydrophobicContact CG2-SD 4.18Å |
| 320 | E | 97.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.4 | -179.2 | -58.6 | -162 | 166.4 | 0 | 0 | 110.9 | H253 E255 K282 L332 E333 N335 Q339 | H253-E320 IonicContact CE1-OE2 3.75Å; H253-E320 PolarHBondContact CE1-OE2 3.44Å; H253-E320 VanDerWaalsContact NE2-CD 3.3Å; H253-E320 IonicContact NE2-OE1 3.58Å; H253-E320 IonicContact NE2-OE2 3.06Å; H253-E320 PolarHBondContact NE2-OE2 3.01Å; E255-E320 HydrophobicContact CB-CB 4.27Å; E255-E320 HydrophobicContact CB-CG 3.93Å; E255-E320 VanDerWaalsContact OE2-OE1 3.05Å; K282-E320 IonicContact NZ-OE1 2.64Å; K282-E320 PolarHBondContact NZ-OE1 2.83Å; E320-L332 HydrophobicContact CB-CB 4.37Å; E320-L332 WeakPolarHBondContact O-CB 3.36Å; E320-L332 PolarHBondContact O-N 2.88Å; E320-E333 HydrophobicContact CB-CG 4.24Å; E320-E333 HydrophobicContact CG-CG 4.36Å; E320-E333 PolarHBondContact N-O 3.42Å; E320-N335 VanDerWaalsContact CD-ND2 3.26Å; E320-N335 PolarHBondContact OE1-ND2 2.83Å; E320-N335 VanDerWaalsContact OE1-ND2 3.12Å; E320-Q339 PolarHBondContact OE1-NE2 3.03Å |
| 321 | F | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 149.9 | 177.6 | -59.8 | -90.1 | 0 | 0 | 0 | 111.8 | V173 I254 I256 M300 A304 V319 F329 Y330 F331 | V173-F321 HydrophobicContact CG1-CE1 3.99Å; I254-F321 PolarHBondContact N-O 3.28Å; I254-F321 CarbonylContact O-C 2.93Å; I254-F321 WeakPolarHBondContact O-CA 3.4Å; I254-F321 WeakPolarHBondContact O-CB 3.41Å; I254-F321 PolarHBondContact O-N 3.33Å; I256-F321 HydrophobicContact CB-CE2 4.47Å; I256-F321 HydrophobicContact CG1-CD2 4.26Å; I256-F321 HydrophobicContact CG1-CE2 3.85Å; M300-F321 HydrophobicContact CE-CB 3.84Å; M300-F321 HydrophobicContact CE-CD2 3.61Å; M300-F321 HydrophobicContact CE-CE2 4.38Å; M300-F321 HydrophobicContact CE-CG 3.87Å; A304-F321 HydrophobicContact CB-CE2 4.42Å; A304-F321 HydrophobicContact CB-CZ 4.5Å; V319-F321 HydrophobicContact CB-CE2 4.02Å; V319-F321 HydrophobicContact CB-CZ 4.37Å; V319-F321 HydrophobicContact CG1-CD2 4.23Å; V319-F321 HydrophobicContact CG1-CE1 4.17Å; V319-F321 HydrophobicContact CG1-CE2 3.46Å; V319-F321 VanDerWaalsContact CG1-CE2 3.46Å; V319-F321 HydrophobicContact CG1-CZ 3.43Å; V319-F321 VanDerWaalsContact CG1-CZ 3.43Å; F321-F329 HydrophobicContact CB-CB 4.5Å; F321-F329 AromaticContact CD1-CD2 3.66Å; F321-F329 HydrophobicContact CD1-CD2 3.66Å; F321-F329 HydrophobicContact CD1-CE2 4.41Å; F321-F329 AromaticContact CE1-CD2 3.82Å; F321-F329 HydrophobicContact CE1-CD2 3.82Å; F321-F329 HydrophobicContact CE1-CE2 4.11Å; F321-F329 HydrophobicContact CG-CD2 4.31Å; F321-Y330 CarbonylContact C-O 3.48Å; F321-Y330 WeakPolarHBondContact CA-O 3.43Å; F321-F331 HydrophobicContact CD1-CB 4.39Å; F321-F331 HydrophobicContact CE1-CB 4.26Å |
| 322 | L | 95.2 | Very high | 95.1 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.126 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 127.1 | 160.5 | -63.8 | 179.1 | 0 | 0 | 0 | 108.9 | I176 P251 R252 F329 Y330 L332 | I176-L322 HydrophobicContact CD1-CD1 4.08Å; P251-L322 HydrophobicContact CB-CB 4.19Å; P251-L322 HydrophobicContact CB-CD2 4.07Å; P251-L322 HydrophobicContact CG-CD2 4.39Å; R252-L322 WeakPolarHBondContact O-CA 3.14Å; L322-F329 CarbonylContact O-C 3.51Å; L322-F329 VanDerWaalsContact O-CA 3.3Å; L322-F329 WeakPolarHBondContact O-CA 3.49Å; L322-Y330 PolarHBondContact N-O 2.99Å; L322-Y330 PolarHBondContact O-N 2.75Å; L322-L332 HydrophobicContact CD1-CD1 4.28Å; L322-L332 HydrophobicContact CD2-CD2 4.42Å; L322-L332 HydrophobicContact CG-CD1 4.45Å |
| 323 | V | 95.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 122.5 | 176.5 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | P251 R252 I254 F291 M300 N328 F329 | P251-V323 WeakPolarHBondContact CA-O 3.05Å; R252-V323 HydrophobicContact CB-CB 4.42Å; R252-V323 PolarHBondContact N-O 2.67Å; R252-V323 PolarHBondContact O-N 3.01Å; I254-V323 HydrophobicContact CB-CG2 4.04Å; I254-V323 HydrophobicContact CD1-CB 4.25Å; I254-V323 HydrophobicContact CD1-CG2 3.9Å; I254-V323 HydrophobicContact CG1-CG2 4.21Å; F291-V323 HydrophobicContact CD1-CG1 3.92Å; F291-V323 HydrophobicContact CE1-CG1 3.83Å; M300-V323 HydrophobicContact CE-CG2 4.12Å; M300-V323 HydrophobicContact SD-CG2 4.38Å; V323-N328 CarbonylContact C-O 3.58Å; V323-N328 WeakPolarHBondContact CA-O 3.34Å; V323-F329 HydrophobicContact CG2-CB 3.89Å |
| 324 | D | 92.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 11% | 0.112 | 16% | 0.159 | C | C | . | . | trans | -81.4 | 173 | -179.7 | 80.3 | 4 | 0 | 0 | 0 | 112.3 | I248 F291 K326 R327 N328 Y330 | I248-D324 HydrophobicContact CG2-CB 3.58Å; F291-D324 WeakPolarHBondContact CE1-O 3.19Å; D324-K326 PolarHBondContact O-N 3.03Å; D324-K326 VanDerWaalsContact O-N 3.15Å; D324-K326 VanDerWaalsContact OD1-CA 3.24Å; D324-K326 WeakPolarHBondContact OD1-CA 3.4Å; D324-K326 WeakPolarHBondContact OD1-CB 3.49Å; D324-K326 PolarHBondContact OD1-N 3.45Å; D324-R327 PolarHBondContact O-N 3.21Å; D324-R327 PolarHBondContact OD1-N 2.81Å; D324-N328 PolarHBondContact N-O 2.89Å; D324-N328 PolarHBondContact OD1-N 2.86Å; D324-N328 PolarHBondContact OD1-ND2 3.08Å; D324-N328 PolarHBondContact OD2-ND2 3.45Å; D324-Y330 HydrophobicContact CB-CE2 4.43Å | ||
| 325 | S | 89 | Confident | 94.8 | Very high | 93 Ų | 93 | 32.6 Ų | 32.6 | 65% | 0.65 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.4 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | ||
| 326 | K | 90 | Very high | 94.7 | Very high | 170 Ų | 170 | 32.7 Ų | 32.7 | 74% | 0.739 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 7.8 | 176.8 | -62.4 | -179 | -177.8 | 177.9 | 0 | 112.6 | D324 N328 | D324-K326 PolarHBondContact O-N 3.03Å; D324-K326 VanDerWaalsContact O-N 3.15Å; D324-K326 VanDerWaalsContact OD1-CA 3.24Å; D324-K326 WeakPolarHBondContact OD1-CA 3.4Å; D324-K326 WeakPolarHBondContact OD1-CB 3.49Å; D324-K326 PolarHBondContact OD1-N 3.45Å; K326-N328 PolarHBondContact O-N 3.33Å |
| 327 | R | 91.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 34.6 Ų | 34.6 | 42% | 0.419 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 65 | 21.1 | -177.5 | -61.2 | -177.9 | 178.1 | -168.3 | -0.2 | 114.5 | F291 D293 L296 D324 | F291-R327 HydrophobicContact CD1-CG 4.31Å; F291-R327 HydrophobicContact CE1-CB 4.46Å; F291-R327 HydrophobicContact CE1-CG 3.61Å; F291-R327 HydrophobicContact CZ-CG 3.85Å; D293-R327 IonicContact OD2-NH1 2.91Å; D293-R327 PolarHBondContact OD2-NH1 3.15Å; L296-R327 HydrophobicContact CD2-CB 3.81Å; L296-R327 HydrophobicContact CD2-CG 4.23Å; D324-R327 PolarHBondContact O-N 3.21Å; D324-R327 PolarHBondContact OD1-N 2.81Å |
| 328 | N | 93.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 39% | 0.39 | 17% | 0.167 | S | C | . | . | trans | -77 | 138.7 | 163 | -52.3 | -62.2 | 0 | 0 | 0 | 108.4 | V323 D324 K326 Y330 | V323-N328 CarbonylContact C-O 3.58Å; V323-N328 WeakPolarHBondContact CA-O 3.34Å; D324-N328 PolarHBondContact N-O 2.89Å; D324-N328 PolarHBondContact OD1-N 2.86Å; D324-N328 PolarHBondContact OD1-ND2 3.08Å; D324-N328 PolarHBondContact OD2-ND2 3.45Å; K326-N328 PolarHBondContact O-N 3.33Å; N328-Y330 HydrophobicContact CB-CE2 3.8Å; N328-Y330 WeakPolarHBondContact CB-OH 3.26Å | ||
| 329 | F | 95.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143 | 179 | 64.9 | -83.8 | 0 | 0 | 0 | 110.4 | N174 L296 A299 M300 Q303 F321 L322 V323 | N174-F329 HydrophobicContact CB-CE2 4.4Å; N174-F329 WeakPolarHBondContact CB-O 3.48Å; N174-F329 VanDerWaalsContact ND2-CZ 3.35Å; N174-F329 WeakPolarHBondContact ND2-CZ 3.28Å; L296-F329 HydrophobicContact CD1-CD1 3.48Å; L296-F329 VanDerWaalsContact CD1-CD1 3.48Å; L296-F329 HydrophobicContact CD1-CE1 3.69Å; A299-F329 HydrophobicContact CB-CE1 4.22Å; A299-F329 HydrophobicContact CB-CZ 4.11Å; M300-F329 HydrophobicContact CB-CE2 4.39Å; M300-F329 HydrophobicContact CG-CB 4.29Å; M300-F329 HydrophobicContact CG-CD1 3.92Å; M300-F329 HydrophobicContact CG-CD2 3.61Å; M300-F329 HydrophobicContact CG-CE1 4.03Å; M300-F329 HydrophobicContact CG-CE2 3.72Å; M300-F329 HydrophobicContact CG-CG 3.67Å; M300-F329 HydrophobicContact CG-CZ 3.92Å; M300-F329 HydrophobicContact SD-CB 4.26Å; M300-F329 HydrophobicContact SD-CG 4.25Å; Q303-F329 HydrophobicContact CG-CE2 4.46Å; Q303-F329 VanDerWaalsContact NE2-CZ 3.33Å; Q303-F329 VanDerWaalsContact OE1-CE2 3.26Å; F321-F329 HydrophobicContact CB-CB 4.5Å; F321-F329 AromaticContact CD1-CD2 3.66Å; F321-F329 HydrophobicContact CD1-CD2 3.66Å; F321-F329 HydrophobicContact CD1-CE2 4.41Å; F321-F329 AromaticContact CE1-CD2 3.82Å; F321-F329 HydrophobicContact CE1-CD2 3.82Å; F321-F329 HydrophobicContact CE1-CE2 4.11Å; F321-F329 HydrophobicContact CG-CD2 4.31Å; L322-F329 CarbonylContact O-C 3.51Å; L322-F329 VanDerWaalsContact O-CA 3.3Å; L322-F329 WeakPolarHBondContact O-CA 3.49Å; V323-F329 HydrophobicContact CG2-CB 3.89Å |
| 330 | Y | 95 | Very high | 94.6 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 15% | 0.153 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 130.4 | -173.8 | -52.2 | -80.9 | 0 | 0 | 0 | 110.6 | N174 C175 I176 P177 I248 F321 L322 D324 N328 L332 | N174-Y330 CarbonylContact O-C 3.52Å; N174-Y330 WeakPolarHBondContact O-CA 3.3Å; C175-Y330 WeakPolarHBondContact O-CD1 3.49Å; I176-Y330 VanDerWaalsContact CG1-CB 3.44Å; I176-Y330 HydrophobicContact CG1-CG 4.19Å; P177-Y330 HydrophobicContact CG-CE1 4.43Å; I248-Y330 HydrophobicContact CD1-CD2 3.99Å; I248-Y330 HydrophobicContact CD1-CE2 3.76Å; I248-Y330 HydrophobicContact CG1-CD2 4.09Å; I248-Y330 HydrophobicContact CG1-CE2 4.29Å; F321-Y330 CarbonylContact C-O 3.48Å; F321-Y330 WeakPolarHBondContact CA-O 3.43Å; L322-Y330 PolarHBondContact N-O 2.99Å; L322-Y330 PolarHBondContact O-N 2.75Å; D324-Y330 HydrophobicContact CB-CE2 4.43Å; N328-Y330 HydrophobicContact CB-CE2 3.8Å; N328-Y330 WeakPolarHBondContact CB-OH 3.26Å; Y330-L332 PolarHBondContact O-N 3.03Å |
| 331 | F | 95 | Very high | 94.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 129.5 | 176.9 | 172.6 | -109.6 | 0 | 0 | 0 | 110.5 | A168 V173 N174 L307 V319 F321 E333 M334 | A168-F331 HydrophobicContact CB-CD1 3.76Å; A168-F331 HydrophobicContact CB-CE1 3.93Å; A168-F331 HydrophobicContact CB-CG 4.29Å; V173-F331 HydrophobicContact CG1-CB 3.75Å; V173-F331 HydrophobicContact CG1-CG 4.28Å; N174-F331 WeakPolarHBondContact O-CB 2.81Å; N174-F331 PolarHBondContact O-N 3.07Å; L307-F331 HydrophobicContact CD2-CD2 3.97Å; L307-F331 HydrophobicContact CD2-CE2 3.4Å; L307-F331 VanDerWaalsContact CD2-CE2 3.4Å; L307-F331 HydrophobicContact CD2-CZ 3.87Å; V319-F331 HydrophobicContact CG1-CD2 3.65Å; V319-F331 HydrophobicContact CG1-CE2 3.85Å; F321-F331 HydrophobicContact CD1-CB 4.39Å; F321-F331 HydrophobicContact CE1-CB 4.26Å; F331-E333 VanDerWaalsContact CE2-O 3.3Å; F331-E333 WeakPolarHBondContact CE2-O 3.46Å; F331-M334 HydrophobicContact CE2-CB 4.26Å; F331-M334 HydrophobicContact CZ-CB 4.46Å |
| 332 | L | 90.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 35 Ų | 35 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -59 | 175.4 | -176.1 | 65 | 0 | 0 | 0 | 110.2 | E320 L322 Y330 | E320-L332 HydrophobicContact CB-CB 4.37Å; E320-L332 WeakPolarHBondContact O-CB 3.36Å; E320-L332 PolarHBondContact O-N 2.88Å; L322-L332 HydrophobicContact CD1-CD1 4.28Å; L322-L332 HydrophobicContact CD2-CD2 4.42Å; L322-L332 HydrophobicContact CG-CD1 4.45Å; Y330-L332 PolarHBondContact O-N 3.03Å |
| 333 | E | 91.9 | Very high | 94.7 | Very high | 63 Ų | 63 | 34 Ų | 34 | 29% | 0.294 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | 170.2 | -179.2 | 61.2 | 179.1 | -153.5 | 0 | 0 | 111.4 | E320 F331 N335 | E320-E333 HydrophobicContact CB-CG 4.24Å; E320-E333 HydrophobicContact CG-CG 4.36Å; E320-E333 PolarHBondContact N-O 3.42Å; F331-E333 VanDerWaalsContact CE2-O 3.3Å; F331-E333 WeakPolarHBondContact CE2-O 3.46Å; E333-N335 PolarHBondContact OE1-ND2 2.83Å |
| 334 | M | 94.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.9 | 169.7 | -176.5 | 176.5 | -174.1 | 0 | 0 | 109.1 | M158 L258 L307 A308 Y313 T318 V319 F331 T336 | M158-M334 HydrophobicContact CB-CB 4.27Å; M158-M334 HydrophobicContact CG-CB 4.15Å; M158-M334 HydrophobicContact CG-CG 4.35Å; M158-M334 HydrophobicContact CG-SD 3.8Å; M158-M334 HydrophobicContact SD-CB 3.86Å; M158-M334 HydrophobicContact SD-CG 4.43Å; M158-M334 HydrophobicContact SD-SD 3.83Å; L258-M334 HydrophobicContact CD1-CE 3.81Å; L307-M334 HydrophobicContact CD2-CB 4.43Å; L307-M334 HydrophobicContact CD2-SD 4.32Å; L307-M334 HydrophobicContact CG-SD 4.32Å; A308-M334 HydrophobicContact CB-CE 4.36Å; Y313-M334 HydrophobicContact CD1-CE 3.97Å; Y313-M334 HydrophobicContact CD2-CE 3.31Å; Y313-M334 HydrophobicContact CD2-SD 4.18Å; Y313-M334 HydrophobicContact CE1-CE 4Å; Y313-M334 HydrophobicContact CE2-CE 3.34Å; Y313-M334 HydrophobicContact CE2-SD 4.25Å; Y313-M334 HydrophobicContact CG-CE 3.64Å; T318-M334 CarbonylContact O-C 3.41Å; T318-M334 VanDerWaalsContact O-CA 3.3Å; T318-M334 WeakPolarHBondContact O-CA 3.47Å; V319-M334 HydrophobicContact CG2-CB 4.38Å; V319-M334 HydrophobicContact CG2-CE 4.39Å; V319-M334 HydrophobicContact CG2-CG 3.97Å; V319-M334 HydrophobicContact CG2-SD 4.18Å; F331-M334 HydrophobicContact CE2-CB 4.26Å; F331-M334 HydrophobicContact CZ-CB 4.46Å; M334-T336 PolarHBondContact O-N 3.08Å |
| 335 | N | 95.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 114.6 | 175.9 | -79.2 | -95.6 | 0 | 0 | 0 | 109 | G317 T318 E320 E333 R337 Q339 | G317-N335 WeakPolarHBondContact CA-O 3.45Å; T318-N335 PolarHBondContact N-O 3.08Å; T318-N335 VanDerWaalsContact N-O 3.08Å; T318-N335 PolarHBondContact O-N 2.97Å; E320-N335 VanDerWaalsContact CD-ND2 3.26Å; E320-N335 PolarHBondContact OE1-ND2 2.83Å; E320-N335 VanDerWaalsContact OE1-ND2 3.12Å; E333-N335 PolarHBondContact OE1-ND2 2.83Å; N335-R337 HydrophobicContact CB-CG 4.48Å; N335-R337 PolarHBondContact O-N 3.05Å; N335-R337 PolarHBondContact OD1-NH2 2.79Å; N335-Q339 HydrophobicContact CB-CG 4.28Å |
| 336 | T | 96.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 13% | 0.129 | C | C | . | . | trans | -90.3 | 47.9 | -168.8 | 63.1 | 0 | 0 | 0 | 0 | 112.4 | E132 P150 M158 Y313 M334 | E132-T336 PolarHBondContact OE1-N 2.99Å; P150-T336 VanDerWaalsContact CD-O 3.27Å; P150-T336 WeakPolarHBondContact CD-O 3.42Å; P150-T336 VanDerWaalsContact CG-O 3.27Å; P150-T336 WeakPolarHBondContact CG-O 3.26Å; M158-T336 HydrophobicContact CB-CG2 3.61Å; M158-T336 HydrophobicContact CG-CG2 4.23Å; Y313-T336 HydrophobicContact CE2-CG2 3.9Å; Y313-T336 VanDerWaalsContact OH-C 3.3Å; Y313-T336 WeakPolarHBondContact OH-CA 3.48Å; M334-T336 PolarHBondContact O-N 3.08Å | ||
| 337 | R | 97.1 | Very high | 95.7 | Very high | 40 Ų | 40 | 21.1 Ų | 21.1 | 15% | 0.151 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -161.8 | 174.9 | -171.1 | 53.6 | 165.5 | 173.1 | 86.1 | 7.1 | 111 | S131 E132 N335 | S131-R337 WeakPolarHBondContact OG-CD 3.47Å; E132-R337 HydrophobicContact CG-CB 4.01Å; E132-R337 HydrophobicContact CG-CG 3.71Å; E132-R337 IonicContact OE1-NE 3.77Å; E132-R337 VanDerWaalsContact OE2-CD 3.29Å; E132-R337 WeakPolarHBondContact OE2-CD 3.32Å; E132-R337 IonicContact OE2-CZ 2.82Å; E132-R337 IonicContact OE2-NE 3.66Å; E132-R337 PolarHBondContact OE2-NE 2.85Å; E132-R337 IonicContact OE2-NH2 3.77Å; N335-R337 HydrophobicContact CB-CG 4.48Å; N335-R337 PolarHBondContact O-N 3.05Å; N335-R337 PolarHBondContact OD1-NH2 2.79Å |
| 338 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -62.6 | 149.8 | 160.9 | -169.5 | 62.3 | 0 | 0 | 0 | 109.6 | I58 Y127 H342 I353 V354 M357 | I58-L338 HydrophobicContact CD1-CD2 3.65Å; Y127-L338 VanDerWaalsContact CB-O 3.32Å; Y127-L338 WeakPolarHBondContact CB-O 3.33Å; L338-H342 HydrophobicContact CD1-CB 3.67Å; L338-H342 HydrophobicContact CG-CB 4.32Å; L338-I353 HydrophobicContact CD1-CB 4.29Å; L338-I353 HydrophobicContact CD1-CG2 3.56Å; L338-V354 HydrophobicContact CD2-CG2 3.92Å; L338-M357 HydrophobicContact CB-CE 4.43Å; L338-M357 HydrophobicContact CB-SD 4.13Å; L338-M357 HydrophobicContact CD1-SD 4.13Å; L338-M357 HydrophobicContact CD2-SD 4.44Å; L338-M357 HydrophobicContact CG-SD 4.48Å | ||
| 339 | Q | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.009 | 6% | 0.058 | C | C | . | . | trans | -108.8 | 165.7 | 172.4 | -76.3 | -174.4 | -53 | 0 | 0 | 111.7 | E255 T318 E320 N335 H342 | E255-Q339 PolarHBondContact OE1-OE1 2.88Å; E255-Q339 PolarHBondContact OE2-NE2 3.09Å; E255-Q339 PolarHBondContact OE2-OE1 3.47Å; T318-Q339 PolarHBondContact OG1-OE1 3.32Å; E320-Q339 PolarHBondContact OE1-NE2 3.03Å; N335-Q339 HydrophobicContact CB-CG 4.28Å; Q339-H342 PolarHBondContact O-N 3.46Å; Q339-H342 PolarHBondContact O-ND1 3.47Å | ||
| 340 | V | 97.7 | Very high | 96 | Very high | 13 Ų | 13 | 11.8 Ų | 11.8 | 8% | 0.079 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -48.7 | -170.8 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | Y127 H342 P343 M432 K435 | Y127-V340 HydrophobicContact CD1-CG2 4.29Å; Y127-V340 HydrophobicContact CD2-CG2 3.96Å; Y127-V340 HydrophobicContact CE1-CB 4.29Å; Y127-V340 HydrophobicContact CE1-CG2 4.1Å; Y127-V340 HydrophobicContact CE2-CG2 3.76Å; Y127-V340 HydrophobicContact CG-CG2 4.21Å; V340-H342 PolarHBondContact O-N 2.8Å; V340-H342 VanDerWaalsContact O-N 3.16Å; V340-H342 PolarHBondContact O-ND1 3.02Å; V340-P343 VanDerWaalsContact O-CD 3.29Å; V340-P343 WeakPolarHBondContact O-CD 3.43Å; V340-M432 HydrophobicContact CG1-CE 3.91Å; V340-M432 HydrophobicContact CG1-SD 4.23Å; V340-K435 HydrophobicContact CG1-CD 3.57Å; V340-K435 HydrophobicContact CG1-CG 4.16Å; V340-K435 VanDerWaalsContact O-CD 3.22Å; V340-K435 WeakPolarHBondContact O-CD 3.25Å; V340-K435 PolarHBondContact O-NZ 2.86Å |
| 341 | E | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.009 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 17.3 | -178.6 | 60.3 | -91.6 | -131.8 | 0 | 0 | 114.3 | R272 K282 E285 P343 I344 E381 R383 | R272-E341 WeakPolarHBondContact CD-O 3.19Å; R272-E341 VanDerWaalsContact NE-CG 3.32Å; K282-E341 WeakPolarHBondContact CD-OE1 3.11Å; K282-E341 WeakPolarHBondContact CE-OE1 3.45Å; K282-E341 IonicContact NZ-OE1 3.72Å; K282-E341 PolarHBondContact NZ-OE1 3.08Å; E285-E341 HydrophobicContact CB-CB 4.03Å; E285-E341 HydrophobicContact CG-CB 3.75Å; E285-E341 HydrophobicContact CG-CG 4.1Å; E341-P343 VanDerWaalsContact C-N 3.31Å; E341-I344 HydrophobicContact CB-CD1 4.41Å; E341-I344 HydrophobicContact CB-CG1 4.43Å; E341-I344 WeakPolarHBondContact O-CG1 3.43Å; E341-E381 WeakPolarHBondContact CA-OE1 3.34Å; E341-R383 IonicContact OE1-NH2 2.96Å; E341-R383 IonicContact OE2-CZ 3.45Å; E341-R383 IonicContact OE2-NH2 3.36Å; E341-R383 PolarHBondContact OE2-NH2 2.84Å |
| 342 | H | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.9 | -33.9 | 173.2 | 70.9 | -86.8 | 0 | 0 | 0 | 114.4 | L338 Q339 V340 I344 T345 E346 I353 K435 | L338-H342 HydrophobicContact CD1-CB 3.67Å; L338-H342 HydrophobicContact CG-CB 4.32Å; Q339-H342 PolarHBondContact O-N 3.46Å; Q339-H342 PolarHBondContact O-ND1 3.47Å; V340-H342 PolarHBondContact O-N 2.8Å; V340-H342 VanDerWaalsContact O-N 3.16Å; V340-H342 PolarHBondContact O-ND1 3.02Å; H342-I344 VanDerWaalsContact C-N 3.29Å; H342-I344 PolarHBondContact O-N 2.92Å; H342-T345 WeakPolarHBondContact O-CA 3.22Å; H342-T345 WeakPolarHBondContact O-CB 3.48Å; H342-T345 PolarHBondContact O-N 2.82Å; H342-E346 IonicContact CD2-OE1 2.63Å; H342-E346 PolarHBondContact CD2-OE1 2.84Å; H342-E346 IonicContact CD2-OE2 3.91Å; H342-E346 WeakPolarHBondContact O-CG 3.45Å; H342-E346 PolarHBondContact O-N 2.96Å; H342-I353 HydrophobicContact CB-CD1 4.02Å; H342-K435 PolarHBondContact CE1-NZ 2.81Å |
| 343 | P | 97.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 2% | 0.019 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58.1 | -35.7 | -177 | -27.1 | 36.2 | 0 | 0 | 0 | 114.5 | V340 E341 T345 E346 C347 E381 V437 | V340-P343 VanDerWaalsContact O-CD 3.29Å; V340-P343 WeakPolarHBondContact O-CD 3.43Å; E341-P343 VanDerWaalsContact C-N 3.31Å; P343-T345 VanDerWaalsContact C-N 3.27Å; P343-T345 PolarHBondContact O-N 2.62Å; P343-E346 WeakPolarHBondContact O-CB 3.4Å; P343-E346 PolarHBondContact O-N 3.19Å; P343-E346 VanDerWaalsContact O-N 3.12Å; P343-C347 PolarHBondContact O-N 3.27Å; P343-C347 PolarHBondContact O-SG 2.96Å; P343-E381 WeakPolarHBondContact CD-OE2 3.36Å; P343-E381 WeakPolarHBondContact CG-OE2 3.31Å; P343-V437 HydrophobicContact CB-CG1 4.39Å; P343-V437 HydrophobicContact CB-CG2 3.76Å; P343-V437 HydrophobicContact CG-CG2 4.3Å |
| 344 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -67.2 | -31.9 | 178.5 | 52.1 | 166.6 | 0 | 0 | 0 | 111.6 | R272 E285 A287 E341 H342 I348 A379 E381 V437 | R272-I344 HydrophobicContact CB-CD1 4.21Å; R272-I344 HydrophobicContact CG-CD1 3.82Å; R272-I344 HydrophobicContact CG-CG1 4.11Å; E285-I344 HydrophobicContact CB-CD1 3.61Å; A287-I344 HydrophobicContact CB-CB 4.15Å; A287-I344 HydrophobicContact CB-CD1 3.96Å; A287-I344 HydrophobicContact CB-CG1 4.2Å; E341-I344 HydrophobicContact CB-CD1 4.41Å; E341-I344 HydrophobicContact CB-CG1 4.43Å; E341-I344 WeakPolarHBondContact O-CG1 3.43Å; H342-I344 VanDerWaalsContact C-N 3.29Å; H342-I344 PolarHBondContact O-N 2.92Å; I344-I348 PolarHBondContact O-N 3.4Å; I344-A379 HydrophobicContact CB-CB 3.79Å; I344-A379 HydrophobicContact CG2-CB 3.79Å; I344-E381 HydrophobicContact CG2-CB 3.71Å; I344-V437 HydrophobicContact CG2-CG1 4Å |
| 345 | T | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -67.7 | -42.4 | 169.5 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | Q257 L269 R272 H342 P343 C347 I348 T349 I353 | Q257-T345 HydrophobicContact CB-CG2 4.07Å; Q257-T345 HydrophobicContact CG-CG2 4Å; L269-T345 HydrophobicContact CB-CG2 3.53Å; L269-T345 HydrophobicContact CD1-CG2 4.27Å; L269-T345 VanDerWaalsContact O-CG2 3.26Å; L269-T345 WeakPolarHBondContact O-CG2 3.31Å; R272-T345 WeakPolarHBondContact CD-OG1 3.42Å; R272-T345 WeakPolarHBondContact CG-OG1 3.35Å; R272-T345 PolarHBondContact NH1-OG1 2.97Å; H342-T345 WeakPolarHBondContact O-CA 3.22Å; H342-T345 WeakPolarHBondContact O-CB 3.48Å; H342-T345 PolarHBondContact O-N 2.82Å; P343-T345 VanDerWaalsContact C-N 3.27Å; P343-T345 PolarHBondContact O-N 2.62Å; T345-C347 VanDerWaalsContact C-N 3.3Å; T345-C347 PolarHBondContact O-N 3.28Å; T345-I348 PolarHBondContact O-N 3.47Å; T345-T349 HydrophobicContact CG2-CG2 4.21Å; T345-T349 WeakPolarHBondContact O-CB 3.49Å; T345-T349 WeakPolarHBondContact O-CG2 3.32Å; T345-T349 PolarHBondContact O-N 3.48Å; T345-T349 PolarHBondContact O-OG1 3.11Å; T345-I353 HydrophobicContact CG2-CD1 3.99Å |
| 346 | E | 96.6 | Very high | 97 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 2% | 0.023 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 176.7 | -55.5 | -170.3 | 150.7 | 0 | 0 | 111.1 | Y35 R61 H342 P343 G350 V351 I353 | Y35-E346 HydrophobicContact CE1-CB 4.05Å; Y35-E346 PolarHBondContact OH-OE2 3.38Å; R61-E346 IonicContact CZ-OE2 3.85Å; R61-E346 IonicContact NE-OE2 3.3Å; R61-E346 VanDerWaalsContact NH2-CD 3.3Å; R61-E346 IonicContact NH2-OE1 3.07Å; R61-E346 PolarHBondContact NH2-OE1 2.72Å; R61-E346 IonicContact NH2-OE2 2.69Å; R61-E346 PolarHBondContact NH2-OE2 3.26Å; H342-E346 IonicContact CD2-OE1 2.63Å; H342-E346 PolarHBondContact CD2-OE1 2.84Å; H342-E346 IonicContact CD2-OE2 3.91Å; H342-E346 WeakPolarHBondContact O-CG 3.45Å; H342-E346 PolarHBondContact O-N 2.96Å; P343-E346 WeakPolarHBondContact O-CB 3.4Å; P343-E346 PolarHBondContact O-N 3.19Å; P343-E346 VanDerWaalsContact O-N 3.12Å; E346-G350 VanDerWaalsContact O-CA 3.25Å; E346-G350 WeakPolarHBondContact O-CA 3.31Å; E346-G350 PolarHBondContact O-N 2.92Å; E346-V351 WeakPolarHBondContact CA-O 3.38Å; E346-V351 WeakPolarHBondContact CB-O 3.27Å; E346-V351 VanDerWaalsContact CG-O 3.26Å; E346-V351 WeakPolarHBondContact CG-O 3.47Å; E346-I353 HydrophobicContact CG-CD1 4.03Å; E346-I353 HydrophobicContact CG-CG1 4.11Å; E346-I353 PolarHBondContact OE1-N 3.04Å |
| 347 | C | 95 | Very high | 97 | Very high | 10 Ų | 10 | 4.3 Ų | 4.3 | 7% | 0.068 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 176.9 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | P343 T345 A379 Y439 | P343-C347 PolarHBondContact O-N 3.27Å; P343-C347 PolarHBondContact O-SG 2.96Å; T345-C347 VanDerWaalsContact C-N 3.3Å; T345-C347 PolarHBondContact O-N 3.28Å; C347-A379 HydrophobicContact CB-CB 3.78Å; C347-Y439 HydrophobicContact CB-CD2 3.87Å; C347-Y439 HydrophobicContact CB-CG 4.34Å |
| 348 | I | 95.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -83.8 | -20.4 | -173.9 | 67 | 161 | 0 | 0 | 0 | 114.2 | N270 A287 I344 T345 N376 A379 Y439 | N270-I348 HydrophobicContact CB-CD1 4.31Å; A287-I348 HydrophobicContact CB-CD1 3.76Å; A287-I348 HydrophobicContact CB-CG1 4.33Å; A287-I348 WeakPolarHBondContact O-CG2 3.41Å; I344-I348 PolarHBondContact O-N 3.4Å; T345-I348 PolarHBondContact O-N 3.47Å; I348-N376 VanDerWaalsContact CA-O 3.31Å; I348-N376 WeakPolarHBondContact CA-O 3.1Å; I348-N376 WeakPolarHBondContact O-CB 3.5Å; I348-N376 PolarHBondContact O-N 2.95Å; I348-N376 VanDerWaalsContact O-N 3.15Å; I348-A379 HydrophobicContact CG2-CB 3.97Å; I348-Y439 HydrophobicContact CG2-CE2 4.38Å |
| 349 | T | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -104.6 | -20.3 | -179.6 | 63 | 0 | 0 | 0 | 0 | 113.4 | W36 N37 L269 T345 V351 I373 | W36-T349 WeakPolarHBondContact CZ2-O 3.43Å; N37-T349 WeakPolarHBondContact CB-O 3.43Å; N37-T349 PolarHBondContact ND2-O 3.06Å; L269-T349 HydrophobicContact CB-CG2 4.12Å; T345-T349 HydrophobicContact CG2-CG2 4.21Å; T345-T349 WeakPolarHBondContact O-CB 3.49Å; T345-T349 WeakPolarHBondContact O-CG2 3.32Å; T345-T349 PolarHBondContact O-N 3.48Å; T345-T349 PolarHBondContact O-OG1 3.11Å; T349-V351 PolarHBondContact O-N 2.83Å; T349-V351 PolarHBondContact OG1-N 2.77Å; T349-I373 HydrophobicContact CG2-CG2 3.93Å |
| 350 | G | 94.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 3.1 Ų | 3.1 | 0% | 0 | 2% | 0.017 | C | C | . | . | trans | 70.1 | 16.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F34 Y35 W36 N37 D38 E346 | F34-G350 WeakPolarHBondContact O-CA 3.37Å; Y35-G350 CarbonylContact C-O 3.48Å; Y35-G350 WeakPolarHBondContact CA-O 2.93Å; W36-G350 PolarHBondContact N-O 3.15Å; N37-G350 CarbonylContact C-O 3.55Å; N37-G350 PolarHBondContact N-O 2.87Å; D38-G350 PolarHBondContact N-O 3.19Å; E346-G350 VanDerWaalsContact O-CA 3.25Å; E346-G350 WeakPolarHBondContact O-CA 3.31Å; E346-G350 PolarHBondContact O-N 2.92Å | ||
| 351 | V | 96 | Very high | 97 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.015 | C | C | . | . | trans | -103.7 | 129.2 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | N37 L269 E346 T349 I353 Q356 L368 I373 | N37-V351 HydrophobicContact CB-CG2 4.25Å; L269-V351 HydrophobicContact CD1-CB 4.42Å; L269-V351 HydrophobicContact CD1-CG1 4.28Å; L269-V351 HydrophobicContact CD2-CG2 4.41Å; E346-V351 WeakPolarHBondContact CA-O 3.38Å; E346-V351 WeakPolarHBondContact CB-O 3.27Å; E346-V351 VanDerWaalsContact CG-O 3.26Å; E346-V351 WeakPolarHBondContact CG-O 3.47Å; T349-V351 PolarHBondContact O-N 2.83Å; T349-V351 PolarHBondContact OG1-N 2.77Å; V351-I353 PolarHBondContact O-N 3.04Å; V351-Q356 HydrophobicContact CG1-CG 3.74Å; V351-L368 HydrophobicContact CG1-CD1 4.21Å; V351-L368 HydrophobicContact CG2-CD1 3.74Å; V351-I373 HydrophobicContact CG2-CD1 4.25Å | ||
| 352 | D | 95.9 | Very high | 97 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | trans | -85.2 | 101.6 | 174.9 | -175.8 | -25.8 | 0 | 0 | 0 | 108.7 | Y35 D38 R61 S65 R68 V354 H355 Q356 | Y35-D352 HydrophobicContact CD1-CB 3.55Å; Y35-D352 HydrophobicContact CD2-CB 4.41Å; Y35-D352 HydrophobicContact CE1-CB 3.68Å; Y35-D352 HydrophobicContact CG-CB 3.93Å; D38-D352 HydrophobicContact CB-CB 4.44Å; D38-D352 PolarHBondContact OD1-N 3.34Å; D38-D352 WeakPolarHBondContact OD2-CB 3.3Å; R61-D352 IonicContact CZ-OD1 2.66Å; R61-D352 IonicContact NH1-OD1 3.5Å; R61-D352 IonicContact NH2-OD1 2.73Å; R61-D352 PolarHBondContact NH2-OD1 3.24Å; R61-D352 IonicContact NH2-OD2 3.5Å; S65-D352 PolarHBondContact OG-OD1 3.34Å; S65-D352 PolarHBondContact OG-OD2 3.08Å; R68-D352 IonicContact CZ-OD2 3.81Å; R68-D352 IonicContact NH1-OD2 2.91Å; R68-D352 PolarHBondContact NH1-OD2 3.25Å; R68-D352 IonicContact NH2-OD2 3.83Å; R68-D352 PolarHBondContact NH2-OD2 2.88Å; D352-V354 VanDerWaalsContact C-N 3.3Å; D352-V354 PolarHBondContact O-N 3.32Å; D352-V354 PolarHBondContact OD1-N 3.49Å; D352-H355 HydrophobicContact CB-CB 3.73Å; D352-H355 VanDerWaalsContact CG-CB 3.5Å; D352-H355 WeakPolarHBondContact O-CB 3.35Å; D352-H355 PolarHBondContact O-N 3.4Å; D352-H355 PolarHBondContact OD1-N 2.84Å; D352-Q356 WeakPolarHBondContact O-CG 3.19Å; D352-Q356 PolarHBondContact O-N 3.27Å | ||
| 353 | I | 98 | Very high | 97 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | -172.1 | -65.3 | 165.9 | 0 | 0 | 0 | 110 | Q257 L269 A316 L338 H342 T345 E346 V351 H355 Q356 M357 | Q257-I353 HydrophobicContact CG-CD1 3.9Å; L269-I353 HydrophobicContact CD1-CD1 4.12Å; L269-I353 HydrophobicContact CD1-CG1 3.84Å; A316-I353 HydrophobicContact CB-CG2 3.66Å; L338-I353 HydrophobicContact CD1-CB 4.29Å; L338-I353 HydrophobicContact CD1-CG2 3.56Å; H342-I353 HydrophobicContact CB-CD1 4.02Å; T345-I353 HydrophobicContact CG2-CD1 3.99Å; E346-I353 HydrophobicContact CG-CD1 4.03Å; E346-I353 HydrophobicContact CG-CG1 4.11Å; E346-I353 PolarHBondContact OE1-N 3.04Å; V351-I353 PolarHBondContact O-N 3.04Å; I353-H355 VanDerWaalsContact C-N 3.33Å; I353-H355 PolarHBondContact O-N 3.43Å; I353-Q356 PolarHBondContact O-N 2.95Å; I353-M357 HydrophobicContact CG2-CG 4.43Å; I353-M357 HydrophobicContact CG2-SD 4.3Å; I353-M357 VanDerWaalsContact O-CG 3.27Å; I353-M357 WeakPolarHBondContact O-CG 3.32Å; I353-M357 PolarHBondContact O-N 3.19Å |
| 354 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 111 | R61 I62 L338 D352 M357 L358 | R61-V354 HydrophobicContact CG-CG2 4.36Å; I62-V354 HydrophobicContact CG1-CG1 4.22Å; L338-V354 HydrophobicContact CD2-CG2 3.92Å; D352-V354 VanDerWaalsContact C-N 3.3Å; D352-V354 PolarHBondContact O-N 3.32Å; D352-V354 PolarHBondContact OD1-N 3.49Å; V354-M357 PolarHBondContact O-N 2.81Å; V354-L358 WeakPolarHBondContact O-CG 3.49Å; V354-L358 PolarHBondContact O-N 2.98Å; V354-L358 VanDerWaalsContact O-N 3.16Å |
| 355 | H | 96.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 10.4 Ų | 10.4 | 5% | 0.051 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 173.3 | 177.5 | -158.8 | 0 | 0 | 0 | 111.7 | D38 L69 D352 I353 M357 L358 R359 | D38-H355 IonicContact OD1-ND1 2.63Å; D38-H355 IonicContact OD2-CE1 3.03Å; D38-H355 IonicContact OD2-CG 3.03Å; D38-H355 IonicContact OD2-ND1 3.8Å; D38-H355 PolarHBondContact OD2-ND1 3.28Å; L69-H355 VanDerWaalsContact CD1-CD2 3.47Å; L69-H355 WeakPolarHBondContact CD1-CD2 3.31Å; D352-H355 HydrophobicContact CB-CB 3.73Å; D352-H355 VanDerWaalsContact CG-CB 3.5Å; D352-H355 WeakPolarHBondContact O-CB 3.35Å; D352-H355 PolarHBondContact O-N 3.4Å; D352-H355 PolarHBondContact OD1-N 2.84Å; I353-H355 VanDerWaalsContact C-N 3.33Å; I353-H355 PolarHBondContact O-N 3.43Å; H355-M357 VanDerWaalsContact C-N 3.31Å; H355-M357 PolarHBondContact O-N 3.44Å; H355-L358 WeakPolarHBondContact O-CB 3.47Å; H355-L358 PolarHBondContact O-N 3.47Å; H355-L358 VanDerWaalsContact O-N 3.09Å; H355-R359 PolarHBondContact O-N 2.77Å |
| 356 | Q | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65 | -35.2 | 179.1 | -65.3 | -58 | -35.1 | 0 | 0 | 112.5 | D38 R39 L259 V351 D352 I353 L358 R359 V360 | D38-Q356 PolarHBondContact OD1-NE2 2.69Å; R39-Q356 PolarHBondContact O-NE2 3.29Å; R39-Q356 VanDerWaalsContact O-NE2 3.12Å; L259-Q356 HydrophobicContact CD1-CB 3.73Å; L259-Q356 HydrophobicContact CD2-CB 3.6Å; L259-Q356 HydrophobicContact CD2-CG 3.76Å; L259-Q356 HydrophobicContact CG-CB 4.3Å; V351-Q356 HydrophobicContact CG1-CG 3.74Å; D352-Q356 WeakPolarHBondContact O-CG 3.19Å; D352-Q356 PolarHBondContact O-N 3.27Å; I353-Q356 PolarHBondContact O-N 2.95Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 3.48Å; Q356-R359 PolarHBondContact O-N 3.35Å; Q356-V360 WeakPolarHBondContact O-CB 3.36Å; Q356-V360 WeakPolarHBondContact O-CG2 3.49Å; Q356-V360 PolarHBondContact O-N 3.01Å |
| 357 | M | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 171.4 | -69.4 | 174.7 | 69.3 | 0 | 0 | 112 | H124 L148 S315 A316 L338 I353 V354 H355 G361 | H124-M357 WeakPolarHBondContact NE2-CE 3.28Å; L148-M357 WeakPolarHBondContact O-CE 3.22Å; S315-M357 WeakPolarHBondContact OG-CG 3.29Å; A316-M357 HydrophobicContact CB-CE 4.48Å; A316-M357 HydrophobicContact CB-CG 3.65Å; A316-M357 HydrophobicContact CB-SD 3.66Å; L338-M357 HydrophobicContact CB-CE 4.43Å; L338-M357 HydrophobicContact CB-SD 4.13Å; L338-M357 HydrophobicContact CD1-SD 4.13Å; L338-M357 HydrophobicContact CD2-SD 4.44Å; L338-M357 HydrophobicContact CG-SD 4.48Å; I353-M357 HydrophobicContact CG2-CG 4.43Å; I353-M357 HydrophobicContact CG2-SD 4.3Å; I353-M357 VanDerWaalsContact O-CG 3.27Å; I353-M357 WeakPolarHBondContact O-CG 3.32Å; I353-M357 PolarHBondContact O-N 3.19Å; V354-M357 PolarHBondContact O-N 2.81Å; H355-M357 VanDerWaalsContact C-N 3.31Å; H355-M357 PolarHBondContact O-N 3.44Å; M357-G361 PolarHBondContact O-N 3.3Å |
| 358 | L | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 174.7 | -70.1 | 162.9 | 0 | 0 | 0 | 111.7 | F47 V50 L69 I71 L148 V354 H355 Q356 K362 | F47-L358 HydrophobicContact CD2-CD2 4.27Å; F47-L358 WeakPolarHBondContact CE2-O 3.4Å; V50-L358 HydrophobicContact CG2-CD2 4.01Å; L69-L358 HydrophobicContact CD1-CD1 3.68Å; I71-L358 HydrophobicContact CD1-CD1 4.29Å; I71-L358 HydrophobicContact CD1-CD2 4.36Å; L148-L358 HydrophobicContact CD1-CD2 3.56Å; L148-L358 HydrophobicContact CD2-CD2 4.46Å; V354-L358 WeakPolarHBondContact O-CG 3.49Å; V354-L358 PolarHBondContact O-N 2.98Å; V354-L358 VanDerWaalsContact O-N 3.16Å; H355-L358 WeakPolarHBondContact O-CB 3.47Å; H355-L358 PolarHBondContact O-N 3.47Å; H355-L358 VanDerWaalsContact O-N 3.09Å; Q356-L358 VanDerWaalsContact C-N 3.31Å; Q356-L358 PolarHBondContact O-N 3.48Å; L358-K362 WeakPolarHBondContact O-CB 2.96Å; L358-K362 PolarHBondContact O-N 2.89Å; L358-K362 VanDerWaalsContact O-N 3.09Å |
| 359 | R | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 3% | 0.03 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -52.1 | 178.1 | -71.6 | -174.4 | 65.5 | -101.9 | -8.7 | 111.9 | E44 H355 Q356 G361 K362 G363 H364 P365 | E44-R359 IonicContact OE1-CZ 2.82Å; E44-R359 IonicContact OE1-NE 2.89Å; E44-R359 IonicContact OE1-NH2 3.7Å; E44-R359 PolarHBondContact OE1-NH2 2.9Å; E44-R359 IonicContact OE2-CZ 3.17Å; E44-R359 IonicContact OE2-NE 2.72Å; E44-R359 PolarHBondContact OE2-NE 3.29Å; E44-R359 IonicContact OE2-NH2 2.66Å; E44-R359 PolarHBondContact OE2-NH2 3.19Å; H355-R359 PolarHBondContact O-N 2.77Å; Q356-R359 PolarHBondContact O-N 3.35Å; R359-G361 VanDerWaalsContact C-N 3.33Å; R359-G361 PolarHBondContact O-N 2.96Å; R359-K362 PolarHBondContact O-N 3.38Å; R359-K362 VanDerWaalsContact O-N 3.16Å; R359-G363 PolarHBondContact O-N 2.95Å; R359-H364 HydrophobicContact CB-CB 4.36Å; R359-H364 WeakPolarHBondContact O-CB 3.3Å; R359-H364 PolarHBondContact O-N 3.05Å; R359-H364 VanDerWaalsContact O-N 3.07Å; R359-P365 PolarHBondContact NH1-O 3.04Å; R359-P365 PolarHBondContact NH2-O 2.87Å |
| 360 | V | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -43.9 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | C260 D261 D314 Q356 K362 G363 L366 | C260-V360 WeakPolarHBondContact O-CG1 3.23Å; D261-V360 HydrophobicContact CB-CG1 4.43Å; D261-V360 HydrophobicContact CB-CG2 4.05Å; D314-V360 HydrophobicContact CB-CG1 4.46Å; Q356-V360 WeakPolarHBondContact O-CB 3.36Å; Q356-V360 WeakPolarHBondContact O-CG2 3.49Å; Q356-V360 PolarHBondContact O-N 3.01Å; V360-K362 PolarHBondContact O-N 3.33Å; V360-G363 WeakPolarHBondContact O-CA 3.24Å; V360-G363 PolarHBondContact O-N 3.43Å; V360-L366 HydrophobicContact CG2-CD2 3.78Å |
| 361 | G | 97.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V146 R262 M357 R359 G363 | V146-G361 WeakPolarHBondContact CG1-O 3.41Å; R262-G361 PolarHBondContact NH1-O 3.12Å; M357-G361 PolarHBondContact O-N 3.3Å; R359-G361 VanDerWaalsContact C-N 3.33Å; R359-G361 PolarHBondContact O-N 2.96Å; G361-G363 PolarHBondContact O-N 3.5Å |
| 362 | K | 96.8 | Very high | 97.2 | Very high | 50 Ų | 50 | 26.6 Ų | 26.6 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -73 | -10.2 | 175.4 | -168.9 | 55 | 178.1 | 179.2 | 0 | 113.3 | E45 F47 L358 R359 V360 | E45-K362 WeakPolarHBondContact O-CG 3.48Å; E45-K362 VanDerWaalsContact OE1-CE 3.32Å; E45-K362 WeakPolarHBondContact OE1-CE 3.41Å; E45-K362 IonicContact OE1-NZ 2.98Å; E45-K362 PolarHBondContact OE1-NZ 3.15Å; E45-K362 WeakPolarHBondContact OE2-CE 3.35Å; E45-K362 IonicContact OE2-NZ 3.58Å; F47-K362 HydrophobicContact CD1-CD 4.07Å; F47-K362 HydrophobicContact CD2-CB 4.4Å; F47-K362 HydrophobicContact CE1-CD 3.82Å; F47-K362 HydrophobicContact CE2-CB 3.76Å; F47-K362 HydrophobicContact CE2-CD 4.37Å; F47-K362 HydrophobicContact CG-CD 4.45Å; F47-K362 HydrophobicContact CZ-CB 3.86Å; F47-K362 HydrophobicContact CZ-CD 4Å; L358-K362 WeakPolarHBondContact O-CB 2.96Å; L358-K362 PolarHBondContact O-N 2.89Å; L358-K362 VanDerWaalsContact O-N 3.09Å; R359-K362 PolarHBondContact O-N 3.38Å; R359-K362 VanDerWaalsContact O-N 3.16Å; V360-K362 PolarHBondContact O-N 3.33Å |
| 363 | G | 96.7 | Very high | 97.2 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 30% | 0.299 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 9.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | H263 R359 V360 G361 | H263-G363 PolarHBondContact NE2-O 3.39Å; R359-G363 PolarHBondContact O-N 2.95Å; V360-G363 WeakPolarHBondContact O-CA 3.24Å; V360-G363 PolarHBondContact O-N 3.43Å; G361-G363 PolarHBondContact O-N 3.5Å |
| 364 | H | 97.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.148 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 143.4 | 179.4 | -59.7 | -49.1 | 0 | 0 | 0 | 111.6 | E44 E45 R359 | E44-H364 IonicContact OE1-CG 3.42Å; E44-H364 IonicContact OE2-CD2 2.6Å; E45-H364 PolarHBondContact O-NE2 3.44Å; R359-H364 HydrophobicContact CB-CB 4.36Å; R359-H364 WeakPolarHBondContact O-CB 3.3Å; R359-H364 PolarHBondContact O-N 3.05Å; R359-H364 VanDerWaalsContact O-N 3.07Å |
| 365 | P | 97 | Very high | 96.5 | Very high | 56 Ų | 56 | 33 Ų | 33 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -72.4 | 158.7 | 173.6 | 31 | -34.5 | 0 | 0 | 0 | 111.9 | D261 R359 M367 | D261-P365 VanDerWaalsContact OD2-CA 3.23Å; D261-P365 WeakPolarHBondContact OD2-CA 3.31Å; R359-P365 PolarHBondContact NH1-O 3.04Å; R359-P365 PolarHBondContact NH2-O 2.87Å; P365-M367 PolarHBondContact O-N 3.48Å |
| 366 | L | 97.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 131.6 | 168.3 | -60.2 | -173.8 | 0 | 0 | 0 | 109.9 | L259 D261 N265 I267 V360 L368 | L259-L366 HydrophobicContact CD2-CD2 3.65Å; L259-L366 HydrophobicContact CG-CD1 4.36Å; L259-L366 HydrophobicContact CG-CD2 3.79Å; L259-L366 WeakPolarHBondContact O-CD1 3.41Å; D261-L366 HydrophobicContact CB-CD2 4.26Å; D261-L366 HydrophobicContact CB-CG 3.88Å; D261-L366 PolarHBondContact OD2-N 2.74Å; N265-L366 HydrophobicContact CB-CB 4.43Å; N265-L366 HydrophobicContact CB-CD1 4.25Å; N265-L366 HydrophobicContact CB-CG 4.43Å; I267-L366 HydrophobicContact CD1-CD1 4.38Å; I267-L366 HydrophobicContact CG1-CD1 4.1Å; V360-L366 HydrophobicContact CG2-CD2 3.78Å; L366-L368 VanDerWaalsContact C-N 3.34Å |
| 367 | M | 96.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 36.5 Ų | 36.5 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | trans | -93 | -0.2 | 172.7 | -68.6 | 179 | 173.6 | 0 | 0 | 112.6 | R39 D41 E44 P365 | R39-M367 HydrophobicContact CB-CB 3.76Å; R39-M367 HydrophobicContact CB-SD 4.26Å; R39-M367 VanDerWaalsContact CD-O 3.32Å; R39-M367 WeakPolarHBondContact CD-O 3.49Å; R39-M367 PolarHBondContact NH1-O 3.08Å; D41-M367 HydrophobicContact CB-CE 3.71Å; E44-M367 WeakPolarHBondContact OE1-CE 3.37Å; P365-M367 PolarHBondContact O-N 3.48Å | ||
| 368 | L | 96.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | trans | -111.2 | 137.1 | -178.4 | -68.5 | 166.6 | 0 | 0 | 0 | 109.2 | R39 I267 V351 L366 D372 I373 | R39-L368 HydrophobicContact CG-CD2 3.88Å; R39-L368 HydrophobicContact CG-CG 4.31Å; I267-L368 HydrophobicContact CD1-CB 3.88Å; V351-L368 HydrophobicContact CG1-CD1 4.21Å; V351-L368 HydrophobicContact CG2-CD1 3.74Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L368-D372 HydrophobicContact CD2-CB 3.73Å; L368-I373 HydrophobicContact CB-CD1 4.41Å; L368-I373 HydrophobicContact CD1-CD1 4.2Å | ||
| 369 | S | 96.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | trans | -104.3 | 166.7 | 169.3 | 67.4 | 0 | 0 | 0 | 0 | 110.1 | S371 D372 | S369-S371 PolarHBondContact O-N 2.77Å; S369-S371 VanDerWaalsContact O-N 3.17Å; S369-S371 PolarHBondContact OG-OG 3.11Å; S369-D372 WeakPolarHBondContact CB-OD2 3.36Å; S369-D372 PolarHBondContact N-OD2 3.26Å; S369-D372 WeakPolarHBondContact O-CB 3.49Å; S369-D372 PolarHBondContact O-N 2.87Å; S369-D372 PolarHBondContact OG-OD2 3.31Å | ||
| 370 | Q | 97.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -60.4 | -29.2 | 179.5 | -167.3 | 59 | 60.6 | 0 | 0 | 113 | Y268 D372 I373 | Y268-Q370 VanDerWaalsContact CD1-CD 3.5Å; Y268-Q370 HydrophobicContact CD1-CG 4.41Å; Y268-Q370 HydrophobicContact CE1-CG 3.75Å; Y268-Q370 VanDerWaalsContact CE1-OE1 3.22Å; Y268-Q370 VanDerWaalsContact CE2-NE2 3.34Å; Y268-Q370 PolarHBondContact O-NE2 3.15Å; Q370-D372 PolarHBondContact O-N 2.96Å; Q370-I373 PolarHBondContact O-N 2.82Å |
| 371 | S | 96.3 | Very high | 96.4 | Very high | 112 Ų | 112 | 38 Ų | 38 | 78% | 0.783 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -70.3 | -17 | 175.3 | 40.6 | 0 | 0 | 0 | 0 | 114 | S369 I373 | S369-S371 PolarHBondContact O-N 2.77Å; S369-S371 VanDerWaalsContact O-N 3.17Å; S369-S371 PolarHBondContact OG-OG 3.11Å; S371-I373 VanDerWaalsContact C-N 3.3Å |
| 372 | D | 96.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -84.3 | -3.2 | 178 | -61.4 | -59.4 | 0 | 0 | 0 | 112.9 | N37 R39 L368 S369 Q370 P374 | N37-D372 PolarHBondContact ND2-O 3.22Å; R39-D372 IonicContact CZ-OD1 2.69Å; R39-D372 IonicContact CZ-OD2 3.77Å; R39-D372 IonicContact NH1-OD1 3.48Å; R39-D372 PolarHBondContact NH1-OD1 3.2Å; R39-D372 IonicContact NH1-OD2 3.22Å; R39-D372 PolarHBondContact NH1-OD2 3.19Å; R39-D372 VanDerWaalsContact NH1-OD2 3.08Å; R39-D372 IonicContact NH2-OD1 3.67Å; R39-D372 PolarHBondContact NH2-OD1 2.85Å; R39-D372 IonicContact NH2-OD2 3.41Å; L368-D372 HydrophobicContact CD2-CB 3.73Å; S369-D372 WeakPolarHBondContact CB-OD2 3.36Å; S369-D372 PolarHBondContact N-OD2 3.26Å; S369-D372 WeakPolarHBondContact O-CB 3.49Å; S369-D372 PolarHBondContact O-N 2.87Å; S369-D372 PolarHBondContact OG-OD2 3.31Å; Q370-D372 PolarHBondContact O-N 2.96Å; D372-P374 WeakPolarHBondContact O-CD 3.19Å |
| 373 | I | 96.9 | Very high | 96.5 | Very high | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | trans | -107.9 | 91.5 | -172.6 | -52.5 | -55.3 | 0 | 0 | 0 | 110.3 | I267 L269 T349 V351 L368 Q370 S371 | I267-I373 HydrophobicContact CD1-CD1 4.14Å; I267-I373 HydrophobicContact CD1-CG1 4.22Å; L269-I373 HydrophobicContact CD2-CD1 3.65Å; L269-I373 HydrophobicContact CD2-CG1 4.01Å; L269-I373 HydrophobicContact CD2-CG2 4.06Å; T349-I373 HydrophobicContact CG2-CG2 3.93Å; V351-I373 HydrophobicContact CG2-CD1 4.25Å; L368-I373 HydrophobicContact CB-CD1 4.41Å; L368-I373 HydrophobicContact CD1-CD1 4.2Å; Q370-I373 PolarHBondContact O-N 2.82Å; S371-I373 VanDerWaalsContact C-N 3.3Å | ||
| 374 | P | 90.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 34.6 Ų | 34.6 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | trans | -80.5 | 169.2 | 173.8 | 35.4 | -36.7 | 0 | 0 | 0 | 111.5 | W36 N270 D372 | W36-P374 HydrophobicContact CH2-CG 3.58Å; W36-P374 HydrophobicContact CZ2-CG 4.46Å; W36-P374 HydrophobicContact CZ3-CG 4.41Å; N270-P374 PolarHBondContact ND2-O 3.01Å; D372-P374 WeakPolarHBondContact O-CD 3.19Å | ||
| 375 | V | 91 | Very high | 96.5 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 39% | 0.394 | 19% | 0.194 | S | C | . | . | trans | -96.4 | 106.4 | 157.9 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | N270 P288 | N270-V375 HydrophobicContact CB-CG2 4.35Å; N270-V375 WeakPolarHBondContact ND2-CG2 3.45Å; P288-V375 HydrophobicContact CB-CG1 4.04Å; P288-V375 HydrophobicContact CG-CG1 3.75Å | ||
| 376 | N | 93.7 | Very high | 96.4 | Very high | 74 Ų | 74 | 30.8 Ų | 30.8 | 40% | 0.396 | 18% | 0.177 | S | C | . | . | trans | -115.5 | 113.3 | 179.9 | -171.7 | 15 | 0 | 0 | 0 | 110.1 | W36 I348 Y439 | W36-N376 HydrophobicContact CZ2-CB 4.07Å; I348-N376 VanDerWaalsContact CA-O 3.31Å; I348-N376 WeakPolarHBondContact CA-O 3.1Å; I348-N376 WeakPolarHBondContact O-CB 3.5Å; I348-N376 PolarHBondContact O-N 2.95Å; I348-N376 VanDerWaalsContact O-N 3.15Å; N376-Y439 WeakPolarHBondContact O-CE2 3.4Å; N376-Y439 PolarHBondContact O-OH 3.12Å | ||
| 377 | G | 96 | Very high | 96.2 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 71.3 | -160.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P288 G440 | P288-G377 WeakPolarHBondContact CD-O 3.3Å; G377-G440 CarbonylContact C-O 3.46Å; G377-G440 WeakPolarHBondContact CA-O 3.26Å |
| 378 | W | 98 | Very high | 95.8 | Very high | 50 Ų | 50 | 27.8 Ų | 27.8 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.8 | -178.5 | -141.5 | -71.7 | 0 | 0 | 0 | 109.6 | E286 A287 P288 T290 F380 Y439 G440 R443 A446 | E286-W378 PolarHBondContact OE2-NE1 3.16Å; A287-W378 CarbonylContact O-C 3.5Å; A287-W378 WeakPolarHBondContact O-CA 3.45Å; P288-W378 HydrophobicContact CG-CD2 3.96Å; P288-W378 HydrophobicContact CG-CE3 3.84Å; P288-W378 HydrophobicContact CG-CH2 3.86Å; P288-W378 HydrophobicContact CG-CZ2 3.96Å; P288-W378 HydrophobicContact CG-CZ3 3.81Å; P288-W378 VanDerWaalsContact O-CE2 3.28Å; P288-W378 VanDerWaalsContact O-CZ2 3.22Å; P288-W378 WeakPolarHBondContact O-CZ2 3.43Å; P288-W378 PolarHBondContact O-NE1 2.64Å; T290-W378 HydrophobicContact CG2-CH2 4.2Å; T290-W378 HydrophobicContact CG2-CZ2 3.67Å; W378-F380 AromaticContact CD1-CE2 3.66Å; W378-F380 AromaticContact CD1-CZ 3.95Å; W378-F380 AromaticContact NE1-CZ 3.98Å; W378-Y439 CarbonylContact O-C 3.46Å; W378-Y439 WeakPolarHBondContact O-CA 3.48Å; W378-Y439 WeakPolarHBondContact O-CD2 3.47Å; W378-G440 PolarHBondContact N-O 3.14Å; W378-G440 PolarHBondContact O-N 2.91Å; W378-R443 HydrophobicContact CD2-CB 3.58Å; W378-R443 HydrophobicContact CD2-CG 3.96Å; W378-R443 HydrophobicContact CE3-CB 3.89Å; W378-R443 HydrophobicContact CG-CB 3.87Å; W378-R443 HydrophobicContact CG-CG 4.11Å; W378-R443 HydrophobicContact CZ2-CB 4.32Å; W378-R443 HydrophobicContact CZ2-CG 4.2Å; W378-R443 HydrophobicContact CZ3-CB 4.37Å; W378-A446 HydrophobicContact CB-CB 4.33Å |
| 379 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E286 A287 I344 C347 I348 T438 Y439 | E286-A379 WeakPolarHBondContact CA-O 3.36Å; A287-A379 PolarHBondContact N-O 2.93Å; A287-A379 PolarHBondContact O-N 2.8Å; I344-A379 HydrophobicContact CB-CB 3.79Å; I344-A379 HydrophobicContact CG2-CB 3.79Å; C347-A379 HydrophobicContact CB-CB 3.78Å; I348-A379 HydrophobicContact CG2-CB 3.97Å; A379-T438 CarbonylContact C-O 3.59Å; A379-T438 WeakPolarHBondContact CA-O 3.33Å; A379-Y439 HydrophobicContact CB-CD2 4.27Å |
| 380 | F | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.2 | 173.6 | -72.7 | -86.9 | 0 | 0 | 0 | 110.1 | I284 E285 E286 W378 V437 T438 R443 A446 L447 M450 F478 | I284-F380 HydrophobicContact CG2-CD1 4.45Å; E285-F380 CarbonylContact O-C 3.58Å; E285-F380 WeakPolarHBondContact O-CA 3.32Å; E286-F380 HydrophobicContact CB-CD1 3.53Å; E286-F380 HydrophobicContact CB-CE1 3.38Å; E286-F380 HydrophobicContact CB-CG 4.37Å; E286-F380 HydrophobicContact CB-CZ 4.11Å; E286-F380 HydrophobicContact CG-CE1 4.19Å; E286-F380 WeakPolarHBondContact OE2-CE1 3.31Å; E286-F380 WeakPolarHBondContact OE2-CZ 3.23Å; W378-F380 AromaticContact CD1-CE2 3.66Å; W378-F380 AromaticContact CD1-CZ 3.95Å; W378-F380 AromaticContact NE1-CZ 3.98Å; F380-V437 CarbonylContact O-C 3.55Å; F380-V437 VanDerWaalsContact O-CA 3.26Å; F380-V437 WeakPolarHBondContact O-CA 3.42Å; F380-T438 PolarHBondContact N-O 3.36Å; F380-T438 PolarHBondContact O-N 3.17Å; F380-R443 HydrophobicContact CE2-CG 3.85Å; F380-R443 HydrophobicContact CZ-CG 3.61Å; F380-A446 HydrophobicContact CD2-CB 3.73Å; F380-A446 HydrophobicContact CE2-CB 3.93Å; F380-L447 HydrophobicContact CD1-CD2 4.09Å; F380-L447 HydrophobicContact CD2-CD2 3.98Å; F380-L447 HydrophobicContact CD2-CG 4.28Å; F380-L447 HydrophobicContact CE1-CD2 3.69Å; F380-L447 HydrophobicContact CE1-CG 4.4Å; F380-L447 HydrophobicContact CE2-CD2 3.59Å; F380-L447 HydrophobicContact CE2-CG 3.57Å; F380-L447 HydrophobicContact CG-CD2 4.22Å; F380-L447 HydrophobicContact CZ-CD1 4.23Å; F380-L447 HydrophobicContact CZ-CD2 3.42Å; F380-L447 VanDerWaalsContact CZ-CD2 3.42Å; F380-L447 HydrophobicContact CZ-CG 3.64Å; F380-M450 HydrophobicContact CB-CE 3.76Å; F380-M450 WeakPolarHBondContact O-CE 3.39Å; F380-F478 HydrophobicContact CD1-CZ 4.1Å; F380-F478 HydrophobicContact CE1-CE1 4.15Å; F380-F478 AromaticContact CE1-CZ 3.74Å; F380-F478 HydrophobicContact CE1-CZ 3.74Å |
| 381 | E | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.5 | 167.3 | -175.5 | 169.1 | 118.8 | 0 | 0 | 108.7 | I284 E285 E341 P343 I344 K435 L436 V437 | I284-E381 WeakPolarHBondContact CA-O 3.28Å; I284-E381 WeakPolarHBondContact CG2-O 3.43Å; E285-E381 HydrophobicContact CB-CB 4.46Å; E285-E381 PolarHBondContact N-O 3.49Å; E285-E381 PolarHBondContact O-N 2.91Å; E341-E381 WeakPolarHBondContact CA-OE1 3.34Å; P343-E381 WeakPolarHBondContact CD-OE2 3.36Å; P343-E381 WeakPolarHBondContact CG-OE2 3.31Å; I344-E381 HydrophobicContact CG2-CB 3.71Å; E381-K435 HydrophobicContact CG-CB 4.07Å; E381-K435 WeakPolarHBondContact OE1-CD 3.33Å; E381-L436 CarbonylContact C-O 3.53Å; E381-L436 WeakPolarHBondContact CA-O 3.24Å; E381-V437 HydrophobicContact CB-CG2 4.32Å; E381-V437 HydrophobicContact CG-CG2 4.09Å |
| 382 | C | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.1 | 168 | -79.8 | 0 | 0 | 0 | 0 | 108.2 | V384 L436 M450 L469 | C382-V384 PolarHBondContact O-N 3.12Å; C382-L436 HydrophobicContact CB-CB 4.38Å; C382-L436 PolarHBondContact N-O 2.99Å; C382-L436 PolarHBondContact O-N 2.8Å; C382-M450 HydrophobicContact CB-CE 4.12Å; C382-M450 HydrophobicContact CB-SD 4.08Å; C382-L469 HydrophobicContact CB-CD1 4.1Å; C382-L469 HydrophobicContact CB-CD2 4.3Å |
| 383 | R | 97.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 104.2 | 173.5 | -57.5 | -166.5 | -167.9 | -154.2 | -4.2 | 109.9 | K282 V283 E285 E341 Y385 N465 | K282-R383 WeakPolarHBondContact O-CD 3.2Å; K282-R383 PolarHBondContact O-NE 2.88Å; V283-R383 PolarHBondContact O-N 3.45Å; V283-R383 VanDerWaalsContact O-N 3.08Å; E285-R383 IonicContact OE1-CZ 3.08Å; E285-R383 IonicContact OE1-NE 3.66Å; E285-R383 PolarHBondContact OE1-NE 3.3Å; E285-R383 IonicContact OE1-NH2 2.84Å; E285-R383 PolarHBondContact OE1-NH2 3.29Å; E285-R383 IonicContact OE2-NE 3.66Å; E341-R383 IonicContact OE1-NH2 2.96Å; E341-R383 IonicContact OE2-CZ 3.45Å; E341-R383 IonicContact OE2-NH2 3.36Å; E341-R383 PolarHBondContact OE2-NH2 2.84Å; R383-Y385 HydrophobicContact CB-CD2 3.94Å; R383-Y385 HydrophobicContact CB-CE2 3.34Å; R383-Y385 WeakPolarHBondContact CD-OH 3.39Å; R383-Y385 HydrophobicContact CG-CE2 4.32Å; R383-Y385 WeakPolarHBondContact O-CD2 2.88Å; R383-Y385 PolarHBondContact O-N 2.89Å; R383-N465 PolarHBondContact O-ND2 2.84Å |
| 384 | V | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 112.8 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | C382 I433 C434 L436 Y457 I459 N465 I466 L469 | C382-V384 PolarHBondContact O-N 3.12Å; V384-I433 HydrophobicContact CG1-CB 4.35Å; V384-I433 HydrophobicContact CG1-CD1 4.47Å; V384-I433 WeakPolarHBondContact O-CB 3.4Å; V384-I433 PolarHBondContact O-N 3.27Å; V384-C434 HydrophobicContact CB-CB 4.35Å; V384-C434 WeakPolarHBondContact CB-O 3.36Å; V384-C434 PolarHBondContact N-O 3.4Å; V384-C434 PolarHBondContact O-N 3.06Å; V384-L436 HydrophobicContact CG2-CB 3.96Å; V384-Y457 HydrophobicContact CG1-CE1 4.46Å; V384-Y457 HydrophobicContact CG2-CD1 4.35Å; V384-Y457 HydrophobicContact CG2-CE1 4.03Å; V384-I459 HydrophobicContact CG1-CD1 3.73Å; V384-N465 WeakPolarHBondContact CA-OD1 3.44Å; V384-I466 HydrophobicContact CG1-CD1 4.19Å; V384-I466 HydrophobicContact CG1-CG1 4.01Å; V384-L469 HydrophobicContact CG2-CD1 4.11Å |
| 385 | Y | 96 | Very high | 91.2 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 148.5 | -179.2 | -72.1 | -82.5 | 0 | 0 | 0 | 111.5 | R383 E387 D430 P431 M432 H464 N465 | R383-Y385 HydrophobicContact CB-CD2 3.94Å; R383-Y385 HydrophobicContact CB-CE2 3.34Å; R383-Y385 WeakPolarHBondContact CD-OH 3.39Å; R383-Y385 HydrophobicContact CG-CE2 4.32Å; R383-Y385 WeakPolarHBondContact O-CD2 2.88Å; R383-Y385 PolarHBondContact O-N 2.89Å; Y385-E387 VanDerWaalsContact C-N 3.29Å; Y385-E387 PolarHBondContact O-N 3.46Å; Y385-D430 VanDerWaalsContact CE1-OD1 3.23Å; Y385-D430 WeakPolarHBondContact CE1-OD1 3.43Å; Y385-P431 HydrophobicContact CD1-CB 4.23Å; Y385-P431 HydrophobicContact CD1-CG 4.08Å; Y385-M432 HydrophobicContact CD1-CB 3.95Å; Y385-M432 HydrophobicContact CE1-CB 3.71Å; Y385-M432 HydrophobicContact CE1-CE 3.85Å; Y385-M432 HydrophobicContact CE1-CG 4.26Å; Y385-M432 WeakPolarHBondContact OH-CE 3.2Å; Y385-H464 VanDerWaalsContact O-CA 3.24Å; Y385-H464 WeakPolarHBondContact O-CA 3.43Å; Y385-H464 WeakPolarHBondContact O-CB 3.4Å; Y385-N465 PolarHBondContact N-OD1 2.97Å; Y385-N465 PolarHBondContact O-N 3.38Å; Y385-N465 PolarHBondContact O-OD1 3.22Å |
| 386 | A | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -75.7 | 83.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S397 I425 P431 I433 V462 T463 | A386-S397 VanDerWaalsContact CB-O 3.28Å; A386-S397 WeakPolarHBondContact CB-O 3.32Å; A386-S397 PolarHBondContact O-N 3.47Å; A386-I425 HydrophobicContact CB-CB 4.45Å; A386-I425 HydrophobicContact CB-CG1 4.09Å; A386-I425 HydrophobicContact CB-CG2 3.87Å; A386-P431 HydrophobicContact CB-CB 3.96Å; A386-P431 PolarHBondContact N-O 3.36Å; A386-P431 VanDerWaalsContact O-CB 3.3Å; A386-P431 WeakPolarHBondContact O-CB 3.48Å; A386-I433 HydrophobicContact CB-CD1 3.92Å; A386-I433 HydrophobicContact CB-CG1 4.06Å; A386-V462 HydrophobicContact CB-CB 4.44Å; A386-V462 HydrophobicContact CB-CG2 4.02Å; A386-T463 CarbonylContact C-O 3.53Å; A386-T463 WeakPolarHBondContact CA-O 3.05Å |
| 387 | E | 91.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.4 | 179.8 | 67.7 | -177.8 | -151.4 | 0 | 0 | 111 | R278 Y385 P389 L395 T463 H464 N465 | R278-E387 IonicContact CZ-OE1 2.79Å; R278-E387 IonicContact CZ-OE2 3.19Å; R278-E387 IonicContact NH1-OE1 2.67Å; R278-E387 PolarHBondContact NH1-OE1 3.23Å; R278-E387 IonicContact NH1-OE2 3.6Å; R278-E387 VanDerWaalsContact NH2-CD 3.34Å; R278-E387 IonicContact NH2-OE1 2.77Å; R278-E387 PolarHBondContact NH2-OE1 2.87Å; R278-E387 IonicContact NH2-OE2 2.75Å; R278-E387 PolarHBondContact NH2-OE2 3.23Å; Y385-E387 VanDerWaalsContact C-N 3.29Å; Y385-E387 PolarHBondContact O-N 3.46Å; E387-P389 WeakPolarHBondContact O-CD 3.37Å; E387-L395 CarbonylContact C-O 3.53Å; E387-L395 WeakPolarHBondContact CA-O 3.41Å; E387-L395 WeakPolarHBondContact CB-O 3.47Å; E387-T463 PolarHBondContact N-O 2.94Å; E387-T463 VanDerWaalsContact N-O 3.14Å; E387-T463 CarbonylContact O-C 3.56Å; E387-H464 CarbonylContact O-C 3.59Å; E387-H464 WeakPolarHBondContact O-CA 3.46Å; E387-H464 PolarHBondContact O-N 3.38Å; E387-N465 HydrophobicContact CG-CB 3.58Å; E387-N465 PolarHBondContact O-N 2.87Å; E387-N465 VanDerWaalsContact OE1-CB 3.25Å; E387-N465 WeakPolarHBondContact OE1-CB 3.26Å; E387-N465 PolarHBondContact OE1-ND2 2.85Å |
| 388 | D | 89.6 | Confident | 90.2 | Very high | 18 Ų | 18 | 21.4 Ų | 21.4 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 106.7 | 176.7 | -170.9 | -21.4 | 0 | 0 | 0 | 109.9 | Y390 K391 G394 L395 T463 | D388-Y390 PolarHBondContact O-N 3.39Å; D388-Y390 WeakPolarHBondContact OD1-CA 3.45Å; D388-Y390 VanDerWaalsContact OD1-CB 3.3Å; D388-Y390 WeakPolarHBondContact OD1-CB 3.49Å; D388-Y390 WeakPolarHBondContact OD1-CD2 3.47Å; D388-Y390 PolarHBondContact OD1-N 2.97Å; D388-K391 HydrophobicContact CB-CB 4.27Å; D388-K391 PolarHBondContact O-N 2.82Å; D388-K391 VanDerWaalsContact O-O 3.07Å; D388-K391 PolarHBondContact OD1-N 3.19Å; D388-K391 VanDerWaalsContact OD2-CD 3.24Å; D388-K391 WeakPolarHBondContact OD2-CD 3.35Å; D388-K391 WeakPolarHBondContact OD2-CE 3.35Å; D388-K391 WeakPolarHBondContact OD2-CG 3.27Å; D388-K391 IonicContact OD2-NZ 2.58Å; D388-G394 WeakPolarHBondContact O-CA 3.25Å; D388-G394 PolarHBondContact O-N 3.04Å; D388-G394 VanDerWaalsContact O-N 3.14Å; D388-L395 PolarHBondContact N-O 2.8Å; D388-L395 PolarHBondContact O-N 3.42Å; D388-T463 HydrophobicContact CB-CG2 3.77Å |
| 389 | P | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.3 | 178.5 | 29.3 | -34.3 | 0 | 0 | 0 | 112.8 | E387 F393 P467 L468 F496 | E387-P389 WeakPolarHBondContact O-CD 3.37Å; P389-F393 WeakPolarHBondContact O-CA 3.41Å; P389-P467 HydrophobicContact CG-CB 4.39Å; P389-P467 HydrophobicContact CG-CG 4.42Å; P389-L468 HydrophobicContact CB-CB 3.75Å; P389-L468 HydrophobicContact CB-CD2 4.26Å; P389-L468 HydrophobicContact CG-CB 4.32Å; P389-F496 HydrophobicContact CB-CB 4.4Å; P389-F496 HydrophobicContact CB-CD1 3.86Å; P389-F496 HydrophobicContact CB-CG 4.4Å; P389-F496 HydrophobicContact CG-CD1 3.98Å; P389-F496 HydrophobicContact CG-CE1 4.31Å |
| 390 | Y | 86.1 | Confident | 89.7 | Confident | 84 Ų | 84 | 27.4 Ų | 27.4 | 33% | 0.329 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24 | -179.7 | -54.8 | -88.4 | 0 | 0 | 0 | 112.1 | D388 P467 F496 | D388-Y390 PolarHBondContact O-N 3.39Å; D388-Y390 WeakPolarHBondContact OD1-CA 3.45Å; D388-Y390 VanDerWaalsContact OD1-CB 3.3Å; D388-Y390 WeakPolarHBondContact OD1-CB 3.49Å; D388-Y390 WeakPolarHBondContact OD1-CD2 3.47Å; D388-Y390 PolarHBondContact OD1-N 2.97Å; Y390-P467 HydrophobicContact CE2-CB 4.3Å; Y390-P467 HydrophobicContact CE2-CG 4.18Å; Y390-P467 WeakPolarHBondContact OH-CB 3.29Å; Y390-F496 AromaticContact CD1-CD1 3.92Å; Y390-F496 HydrophobicContact CD1-CD1 3.92Å; Y390-F496 HydrophobicContact CD1-CE1 4.2Å; Y390-F496 AromaticContact CE1-CD1 3.78Å; Y390-F496 HydrophobicContact CE1-CD1 3.78Å; Y390-F496 AromaticContact CE1-CE1 3.57Å; Y390-F496 HydrophobicContact CE1-CE1 3.57Å; Y390-F496 HydrophobicContact CE2-CE1 4.29Å; Y390-F496 HydrophobicContact CG-CD1 4.39Å; Y390-F496 AromaticContact CZ-CE1 3.61Å |
| 391 | K | 79.9 | Confident | 89.5 | Confident | 83 Ų | 83 | 27.4 Ų | 27.4 | 36% | 0.361 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -105.6 | 120.8 | -180 | -66.6 | 179.8 | -171.8 | 162.5 | 0 | 111.2 | D388 F393 G394 L395 E727 | D388-K391 HydrophobicContact CB-CB 4.27Å; D388-K391 PolarHBondContact O-N 2.82Å; D388-K391 VanDerWaalsContact O-O 3.07Å; D388-K391 PolarHBondContact OD1-N 3.19Å; D388-K391 VanDerWaalsContact OD2-CD 3.24Å; D388-K391 WeakPolarHBondContact OD2-CD 3.35Å; D388-K391 WeakPolarHBondContact OD2-CE 3.35Å; D388-K391 WeakPolarHBondContact OD2-CG 3.27Å; D388-K391 IonicContact OD2-NZ 2.58Å; K391-F393 PolarHBondContact O-N 3.29Å; K391-G394 PolarHBondContact O-N 2.94Å; K391-G394 VanDerWaalsContact O-N 3.07Å; K391-L395 HydrophobicContact CB-CB 4.08Å; K391-L395 HydrophobicContact CB-CD2 4.25Å; K391-L395 HydrophobicContact CD-CD2 4.46Å; K391-L395 WeakPolarHBondContact O-CB 3.41Å; K391-L395 PolarHBondContact O-N 3.07Å; K391-E727 IonicContact NZ-OE1 3.42Å; K391-E727 PolarHBondContact NZ-OE1 3.2Å |
| 392 | A | 72.1 | Confident | 89.4 | Confident | 60 Ų | 60 | 36.5 Ų | 36.5 | 50% | 0.496 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R279 G394 | R279-A392 PolarHBondContact NH2-O 2.55Å; A392-G394 VanDerWaalsContact C-N 3.32Å; A392-G394 PolarHBondContact O-N 3.42Å |
| 393 | F | 80.5 | Confident | 89.2 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 30.7 | -177.8 | -156.8 | -121.4 | 0 | 0 | 0 | 115.1 | R278 P389 K391 L468 L488 Y492 F496 | R278-F393 WeakPolarHBondContact CD-O 3.22Å; R278-F393 HydrophobicContact CG-CD1 3.95Å; R278-F393 HydrophobicContact CG-CE1 4.32Å; R278-F393 PolarHBondContact NE-O 3.48Å; R278-F393 PolarHBondContact NH1-O 3.21Å; P389-F393 WeakPolarHBondContact O-CA 3.41Å; K391-F393 PolarHBondContact O-N 3.29Å; F393-L468 HydrophobicContact CE2-CD1 4.16Å; F393-L468 HydrophobicContact CE2-CD2 4.35Å; F393-L468 HydrophobicContact CZ-CD1 4.23Å; F393-L468 HydrophobicContact CZ-CD2 4.24Å; F393-L488 HydrophobicContact CE1-CB 3.88Å; F393-L488 HydrophobicContact CE1-CD1 3.97Å; F393-L488 HydrophobicContact CE1-CG 4.39Å; F393-L488 HydrophobicContact CZ-CB 4.09Å; F393-L488 HydrophobicContact CZ-CD1 4.43Å; F393-L488 HydrophobicContact CZ-CD2 4.35Å; F393-Y492 HydrophobicContact CE2-CD2 4.25Å; F393-Y492 HydrophobicContact CE2-CG 4Å; F393-Y492 AromaticContact CZ-CD2 3.92Å; F393-Y492 HydrophobicContact CZ-CD2 3.92Å; F393-Y492 HydrophobicContact CZ-CG 4.1Å; F393-F496 HydrophobicContact CD2-CB 3.94Å; F393-F496 VanDerWaalsContact CD2-N 3.28Å; F393-F496 HydrophobicContact CE2-CB 3.76Å |
| 394 | G | 80.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 141.4 | 47.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D388 K391 A392 | D388-G394 WeakPolarHBondContact O-CA 3.25Å; D388-G394 PolarHBondContact O-N 3.04Å; D388-G394 VanDerWaalsContact O-N 3.14Å; K391-G394 PolarHBondContact O-N 2.94Å; K391-G394 VanDerWaalsContact O-N 3.07Å; A392-G394 VanDerWaalsContact C-N 3.32Å; A392-G394 PolarHBondContact O-N 3.42Å |
| 395 | L | 83.3 | Confident | 89.1 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.7 | -179.3 | -163.9 | 69.6 | 0 | 0 | 0 | 110.4 | E387 D388 K391 P672 M673 | E387-L395 CarbonylContact C-O 3.53Å; E387-L395 WeakPolarHBondContact CA-O 3.41Å; E387-L395 WeakPolarHBondContact CB-O 3.47Å; D388-L395 PolarHBondContact N-O 2.8Å; D388-L395 PolarHBondContact O-N 3.42Å; K391-L395 HydrophobicContact CB-CB 4.08Å; K391-L395 HydrophobicContact CB-CD2 4.25Å; K391-L395 HydrophobicContact CD-CD2 4.46Å; K391-L395 WeakPolarHBondContact O-CB 3.41Å; K391-L395 PolarHBondContact O-N 3.07Å; L395-P672 HydrophobicContact CD2-CB 3.87Å; L395-P672 HydrophobicContact CD2-CG 4.42Å; L395-P672 WeakPolarHBondContact CD2-O 3.41Å; L395-M673 HydrophobicContact CD1-CB 4.33Å; L395-M673 HydrophobicContact CD1-CE 4.45Å; L395-M673 HydrophobicContact CD1-CG 4.06Å; L395-M673 HydrophobicContact CD1-SD 3.44Å; L395-M673 WeakPolarHBondContact CD1-SD 3.25Å; L395-M673 HydrophobicContact CD2-CB 3.72Å; L395-M673 HydrophobicContact CD2-CG 4.27Å; L395-M673 HydrophobicContact CG-CB 3.87Å; L395-M673 HydrophobicContact CG-CG 4.17Å; L395-M673 HydrophobicContact CG-SD 3.82Å |
| 396 | P | 84.9 | Confident | 89.2 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 143.6 | -177 | -21.9 | 31.8 | 0 | 0 | 0 | 113.5 | P431 M673 M700 M702 | P396-P431 HydrophobicContact CB-CG 4.36Å; P396-M673 HydrophobicContact CG-SD 4.29Å; P396-M700 HydrophobicContact CB-CB 4.14Å; P396-M700 HydrophobicContact CB-CG 4.02Å; P396-M700 HydrophobicContact CB-SD 3.26Å; P396-M700 WeakPolarHBondContact CB-SD 3.45Å; P396-M700 HydrophobicContact CG-CB 4.16Å; P396-M700 HydrophobicContact CG-SD 4.29Å; P396-M702 HydrophobicContact CG-CE 3.25Å |
| 397 | S | 88.2 | Confident | 89.3 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | trans | -116.8 | 121.6 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | A386 T463 | A386-S397 VanDerWaalsContact CB-O 3.28Å; A386-S397 WeakPolarHBondContact CB-O 3.32Å; A386-S397 PolarHBondContact O-N 3.47Å; S397-T463 WeakPolarHBondContact CB-O 3.43Å; S397-T463 PolarHBondContact OG-N 3.03Å | ||
| 398 | I | 88.3 | Confident | 89.4 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | trans | -101 | 164.9 | 174.9 | 62.4 | 160 | 0 | 0 | 0 | 111.6 | I425 I427 P674 M700 | I398-I425 WeakPolarHBondContact CA-O 3.2Å; I398-I425 WeakPolarHBondContact CB-O 3.36Å; I398-I427 HydrophobicContact CD1-CG2 3.85Å; I398-I427 HydrophobicContact CG2-CG2 3.84Å; I398-P674 HydrophobicContact CD1-CB 3.42Å; I398-P674 VanDerWaalsContact CD1-CB 3.42Å; I398-P674 HydrophobicContact CD1-CG 3.75Å; I398-P674 HydrophobicContact CG1-CB 3.88Å; I398-P674 HydrophobicContact CG1-CG 3.71Å; I398-M700 HydrophobicContact CG2-SD 3.68Å | ||
| 399 | G | 90.8 | Very high | 89.6 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 128.3 | -171.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I425 | G399-I425 PolarHBondContact N-O 3.35Å; G399-I425 PolarHBondContact O-N 2.64Å |
| 400 | R | 94.3 | Very high | 89.8 | Confident | 155 Ų | 155 | 51.2 Ų | 51.2 | 59% | 0.585 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.7 | -174 | -166.5 | 174.6 | -165.2 | -123 | -0.2 | 111.5 | R402 G422 S423 G461 | R400-R402 VanDerWaalsContact C-N 3.35Å; R400-R402 PolarHBondContact O-N 2.94Å; R400-G422 PolarHBondContact NE-O 3.5Å; R400-G422 PolarHBondContact NH2-O 2.86Å; R400-S423 WeakPolarHBondContact CA-O 3.35Å; R400-G461 CarbonylContact O-C 3.51Å; R400-G461 WeakPolarHBondContact O-CA 3.36Å |
| 401 | L | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -68.3 | 89 | 168.1 | -63 | -179.9 | 0 | 0 | 0 | 109.6 | T403 Y404 V419 G422 S423 I425 I459 R460 V462 | L401-T403 VanDerWaalsContact C-N 3.28Å; L401-T403 PolarHBondContact O-N 3.22Å; L401-Y404 HydrophobicContact CD1-CD2 4.3Å; L401-V419 HydrophobicContact CD1-CB 3.86Å; L401-V419 HydrophobicContact CD1-CG1 4.33Å; L401-V419 HydrophobicContact CD1-CG2 3.66Å; L401-G422 VanDerWaalsContact O-CA 3.28Å; L401-G422 WeakPolarHBondContact O-CA 3.4Å; L401-G422 PolarHBondContact O-N 2.75Å; L401-S423 PolarHBondContact N-O 3.43Å; L401-I425 HydrophobicContact CD1-CD1 4.47Å; L401-I425 HydrophobicContact CD2-CG1 4.43Å; L401-I425 HydrophobicContact CG-CG1 4.44Å; L401-I459 HydrophobicContact CD2-CG2 4.01Å; L401-R460 CarbonylContact C-O 3.54Å; L401-R460 WeakPolarHBondContact CA-O 3.42Å; L401-V462 HydrophobicContact CD2-CG1 4.3Å; L401-V462 HydrophobicContact CD2-CG2 3.53Å | ||
| 402 | R | 95.6 | Very high | 90.8 | Very high | 190 Ų | 190 | 51.8 Ų | 51.8 | 72% | 0.717 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -65.9 | -34.5 | 179.9 | -65.8 | -177.8 | -175.3 | 177.2 | 1.9 | 112.1 | R400 R460 | R400-R402 VanDerWaalsContact C-N 3.35Å; R400-R402 PolarHBondContact O-N 2.94Å; R402-R460 PolarHBondContact N-O 3.09Å |
| 403 | T | 95.5 | Very high | 92 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 18% | 0.184 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.7 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 109.5 | L401 E421 V458 I459 R460 K608 | L401-T403 VanDerWaalsContact C-N 3.28Å; L401-T403 PolarHBondContact O-N 3.22Å; T403-E421 VanDerWaalsContact CA-OE2 3.23Å; T403-E421 WeakPolarHBondContact CA-OE2 3.33Å; T403-E421 WeakPolarHBondContact CG2-OE2 3.5Å; T403-V458 HydrophobicContact CG2-CG1 3.92Å; T403-I459 CarbonylContact O-C 3.52Å; T403-R460 HydrophobicContact CG2-CG 4.44Å; T403-R460 PolarHBondContact N-O 3.49Å; T403-R460 PolarHBondContact O-N 3.4Å; T403-K608 HydrophobicContact CG2-CD 3.81Å; T403-K608 VanDerWaalsContact CG2-CE 3.45Å |
| 404 | Y | 96.8 | Very high | 92.7 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 118.4 | -179.4 | 177.6 | -99.2 | 0 | 0 | 0 | 109.9 | L401 E406 S417 V419 E421 I433 Y457 V458 I459 | L401-Y404 HydrophobicContact CD1-CD2 4.3Å; Y404-E406 HydrophobicContact CE1-CG 3.66Å; Y404-E406 WeakPolarHBondContact CE1-OE1 3.39Å; Y404-E406 WeakPolarHBondContact OH-CG 3.15Å; Y404-E406 PolarHBondContact OH-OE1 2.91Å; Y404-S417 VanDerWaalsContact OH-CB 3.27Å; Y404-S417 WeakPolarHBondContact OH-CB 3.35Å; Y404-S417 PolarHBondContact OH-OG 2.91Å; Y404-V419 HydrophobicContact CE1-CG2 4.32Å; Y404-V419 HydrophobicContact CE2-CG2 4.03Å; Y404-E421 PolarHBondContact N-OE2 2.95Å; Y404-I433 HydrophobicContact CD2-CG2 4.3Å; Y404-I433 HydrophobicContact CE2-CG2 3.53Å; Y404-Y457 HydrophobicContact CD2-CE2 4.23Å; Y404-Y457 AromaticContact CE2-CE2 3.63Å; Y404-Y457 HydrophobicContact CE2-CE2 3.63Å; Y404-Y457 AromaticContact CE2-CZ 3.93Å; Y404-Y457 WeakPolarHBondContact CE2-OH 3.29Å; Y404-Y457 PolarHBondContact OH-OH 2.79Å; Y404-V458 CarbonylContact C-O 3.6Å; Y404-V458 VanDerWaalsContact CA-O 3.31Å; Y404-V458 WeakPolarHBondContact CA-O 3.45Å; Y404-I459 HydrophobicContact CD2-CG1 4.21Å |
| 405 | S | 96.7 | Very high | 93.4 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 38% | 0.378 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 115.6 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | Y457 V458 | S405-Y457 VanDerWaalsContact O-CD2 3.3Å; S405-Y457 WeakPolarHBondContact O-CD2 3.44Å; S405-V458 PolarHBondContact N-O 3.31Å; S405-V458 PolarHBondContact O-N 2.98Å; S405-V458 VanDerWaalsContact O-N 3.13Å |
| 406 | E | 97.2 | Very high | 94 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 12% | 0.121 | 24% | 0.243 | C | C | . | . | trans | -72.9 | 145.1 | 176.5 | -65.8 | 170 | 177 | 0 | 0 | 110.8 | R85 Y404 L408 C415 S417 Y457 | R85-E406 IonicContact NH1-OE1 3.89Å; Y404-E406 HydrophobicContact CE1-CG 3.66Å; Y404-E406 WeakPolarHBondContact CE1-OE1 3.39Å; Y404-E406 WeakPolarHBondContact OH-CG 3.15Å; Y404-E406 PolarHBondContact OH-OE1 2.91Å; E406-L408 HydrophobicContact CB-CD1 4.29Å; E406-L408 HydrophobicContact CB-CG 3.87Å; E406-L408 PolarHBondContact O-N 3.35Å; E406-L408 WeakPolarHBondContact OE2-CD1 3.45Å; E406-C415 HydrophobicContact CB-CB 4.32Å; E406-C415 HydrophobicContact CG-CB 4.08Å; E406-S417 WeakPolarHBondContact OE1-CB 3.17Å; E406-S417 PolarHBondContact OE1-OG 3.29Å; E406-Y457 HydrophobicContact CG-CE2 4.2Å | ||
| 407 | P | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -77.5 | 34.6 | -178.7 | 31.7 | -35.8 | 0 | 0 | 0 | 114.1 | H409 I410 V413 L436 A453 Y457 | P407-H409 PolarHBondContact O-N 3.1Å; P407-H409 VanDerWaalsContact O-N 3.08Å; P407-I410 HydrophobicContact CB-CD1 4.22Å; P407-I410 PolarHBondContact O-N 3.21Å; P407-I410 VanDerWaalsContact O-N 3.11Å; P407-V413 HydrophobicContact CG-CG1 4.08Å; P407-L436 HydrophobicContact CG-CD1 3.82Å; P407-A453 HydrophobicContact CB-CB 4.24Å; P407-A453 WeakPolarHBondContact CB-O 3.45Å; P407-A453 HydrophobicContact CG-CB 3.97Å; P407-A453 WeakPolarHBondContact CG-O 3.25Å; P407-Y457 HydrophobicContact CG-CD1 4.28Å; P407-Y457 HydrophobicContact CG-CG 4.28Å | ||
| 408 | L | 94.7 | Very high | 94.6 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -6.9 | -174.4 | -62.6 | -179.3 | 0 | 0 | 0 | 115.1 | E406 I410 C415 | E406-L408 HydrophobicContact CB-CD1 4.29Å; E406-L408 HydrophobicContact CB-CG 3.87Å; E406-L408 PolarHBondContact O-N 3.35Å; E406-L408 WeakPolarHBondContact OE2-CD1 3.45Å; L408-I410 PolarHBondContact O-N 2.84Å; L408-C415 HydrophobicContact CD2-CB 4.03Å |
| 409 | H | 93.9 | Very high | 95 | Very high | 124 Ų | 124 | 45.6 Ų | 45.6 | 57% | 0.574 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.8 | 172.7 | 63.7 | -81.3 | 0 | 0 | 0 | 112.3 | P407 | P407-H409 PolarHBondContact O-N 3.1Å; P407-H409 VanDerWaalsContact O-N 3.08Å |
| 410 | I | 94 | Very high | 95.1 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 11% | 0.113 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -88.4 | 127.1 | 176.5 | -59.4 | 173.3 | 0 | 0 | 0 | 108.3 | P407 L408 V413 T449 K452 A453 | P407-I410 HydrophobicContact CB-CD1 4.22Å; P407-I410 PolarHBondContact O-N 3.21Å; P407-I410 VanDerWaalsContact O-N 3.11Å; L408-I410 PolarHBondContact O-N 2.84Å; I410-V413 HydrophobicContact CB-CG2 3.74Å; I410-V413 HydrophobicContact CG2-CG2 3.66Å; I410-V413 WeakPolarHBondContact O-CB 3.27Å; I410-V413 PolarHBondContact O-N 3.19Å; I410-T449 HydrophobicContact CG2-CG2 4.09Å; I410-K452 HydrophobicContact CD1-CB 3.94Å; I410-K452 WeakPolarHBondContact CD1-O 3.32Å; I410-A453 HydrophobicContact CD1-CB 4.49Å |
| 411 | P | 93.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 45.5 Ų | 45.5 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 148.9 | 176.6 | -24.5 | 34.3 | 0 | 0 | 0 | 112.7 | V413 | P411-V413 PolarHBondContact O-N 2.83Š|
| 412 | N | 94.7 | Very high | 95.1 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25.5 | 179.8 | -52.7 | -38.6 | 0 | 0 | 0 | 114.9 | T438 Y439 | N412-T438 WeakPolarHBondContact O-CA 3.14Å; N412-Y439 WeakPolarHBondContact CB-O 3.26Å; N412-Y439 PolarHBondContact O-N 3.04Å; N412-Y439 VanDerWaalsContact O-N 3.07Å |
| 413 | V | 96.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 38.5 Ų | 38.5 | 9% | 0.085 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.2 | 169.6 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | P407 I410 P411 L436 V437 T438 T449 A453 | P407-V413 HydrophobicContact CG-CG1 4.08Å; I410-V413 HydrophobicContact CB-CG2 3.74Å; I410-V413 HydrophobicContact CG2-CG2 3.66Å; I410-V413 WeakPolarHBondContact O-CB 3.27Å; I410-V413 PolarHBondContact O-N 3.19Å; P411-V413 PolarHBondContact O-N 2.83Å; V413-L436 HydrophobicContact CG1-CD1 3.73Å; V413-V437 WeakPolarHBondContact CA-O 3.44Å; V413-T438 HydrophobicContact CG2-CG2 4.06Å; V413-T449 HydrophobicContact CG2-CG2 3.61Å; V413-A453 HydrophobicContact CG1-CB 4.2Å; V413-A453 HydrophobicContact CG2-CB 3.93Å |
| 414 | C | 94.9 | Very high | 94.9 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 10% | 0.095 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.8 | 171.6 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | F30 V437 | F30-C414 WeakPolarHBondContact CE1-SG 3.37Å; F30-C414 WeakPolarHBondContact CZ-SG 3.5Å; C414-V437 HydrophobicContact CB-CB 4.29Å; C414-V437 PolarHBondContact N-O 2.92Å; C414-V437 PolarHBondContact O-N 3.28Å |
| 415 | C | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 110.4 | 178.7 | -68.7 | 0 | 0 | 0 | 0 | 109.1 | E406 L408 S417 C434 L436 | E406-C415 HydrophobicContact CB-CB 4.32Å; E406-C415 HydrophobicContact CG-CB 4.08Å; L408-C415 HydrophobicContact CD2-CB 4.03Å; C415-S417 PolarHBondContact O-N 2.87Å; C415-C434 VanDerWaalsContact CB-SG 3.6Å; C415-L436 VanDerWaalsContact SG-CD1 3.53Å |
| 416 | D | 94.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 99.3 | 167.8 | -97.3 | 8.1 | 0 | 0 | 0 | 107.8 | F30 E57 C434 K435 | F30-D416 WeakPolarHBondContact CE2-OD1 3.43Å; F30-D416 WeakPolarHBondContact CZ-OD1 3.36Å; E57-D416 WeakPolarHBondContact CB-O 3.34Å; D416-C434 WeakPolarHBondContact O-CA 3.39Å; D416-K435 HydrophobicContact CB-CB 4.07Å; D416-K435 HydrophobicContact CB-CD 4.5Å; D416-K435 PolarHBondContact N-O 2.88Å; D416-K435 VanDerWaalsContact N-O 3.09Å; D416-K435 PolarHBondContact O-N 3.07Å; D416-K435 VanDerWaalsContact OD2-CE 3.25Å; D416-K435 WeakPolarHBondContact OD2-CE 3.4Å; D416-K435 IonicContact OD2-NZ 3.24Å; D416-K435 PolarHBondContact OD2-NZ 2.72Å |
| 417 | S | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137 | -171.7 | -45.9 | 0 | 0 | 0 | 0 | 113.1 | Y404 E406 C415 C434 | Y404-S417 VanDerWaalsContact OH-CB 3.27Å; Y404-S417 WeakPolarHBondContact OH-CB 3.35Å; Y404-S417 PolarHBondContact OH-OG 2.91Å; E406-S417 WeakPolarHBondContact OE1-CB 3.17Å; E406-S417 PolarHBondContact OE1-OG 3.29Å; C415-S417 PolarHBondContact O-N 2.87Å; S417-C434 PolarHBondContact OG-SG 2.88Å |
| 418 | G | 92 | Very high | 93.1 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -90.4 | -2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E57 R85 | E57-G418 VanDerWaalsContact N-CA 3.31Å; R85-G418 WeakPolarHBondContact CB-O 3.49Å |
| 419 | V | 95.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | trans | -127.8 | 165 | -167.7 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | R85 L401 Y404 I425 I433 | R85-V419 WeakPolarHBondContact CD-O 3.34Å; R85-V419 PolarHBondContact NH1-O 3.5Å; L401-V419 HydrophobicContact CD1-CB 3.86Å; L401-V419 HydrophobicContact CD1-CG1 4.33Å; L401-V419 HydrophobicContact CD1-CG2 3.66Å; Y404-V419 HydrophobicContact CE1-CG2 4.32Å; Y404-V419 HydrophobicContact CE2-CG2 4.03Å; V419-I425 HydrophobicContact CG1-CD1 4.22Å; V419-I433 HydrophobicContact CG2-CG2 3.78Å | ||
| 420 | N | 94.4 | Very high | 92.6 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | trans | -128.1 | 165.2 | 169.4 | -66.7 | -47.4 | 0 | 0 | 0 | 110.2 | G422 S423 | N420-G422 PolarHBondContact O-N 3.04Å; N420-S423 PolarHBondContact N-OG 3.24Å; N420-S423 WeakPolarHBondContact O-CB 3.38Å; N420-S423 PolarHBondContact O-N 3.32Å; N420-S423 PolarHBondContact O-OG 3.33Å | ||
| 421 | E | 95.4 | Very high | 92.5 | Very high | 107 Ų | 107 | 40 Ų | 40 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131.2 | 164.1 | -170.2 | 172.2 | 94.7 | 0 | 0 | 110.2 | T403 Y404 | T403-E421 VanDerWaalsContact CA-OE2 3.23Å; T403-E421 WeakPolarHBondContact CA-OE2 3.33Å; T403-E421 WeakPolarHBondContact CG2-OE2 3.5Å; Y404-E421 PolarHBondContact N-OE2 2.95Å |
| 422 | G | 94.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 21% | 0.206 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -1.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R400 L401 N420 | R400-G422 PolarHBondContact NE-O 3.5Å; R400-G422 PolarHBondContact NH2-O 2.86Å; L401-G422 VanDerWaalsContact O-CA 3.28Å; L401-G422 WeakPolarHBondContact O-CA 3.4Å; L401-G422 PolarHBondContact O-N 2.75Å; N420-G422 PolarHBondContact O-N 3.04Å |
| 423 | S | 94.4 | Very high | 92.6 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 16% | 0.161 | 17% | 0.17 | C | C | . | . | trans | -69.1 | 157.7 | 174.4 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | R400 L401 N420 | R400-S423 WeakPolarHBondContact CA-O 3.35Å; L401-S423 PolarHBondContact N-O 3.43Å; N420-S423 PolarHBondContact N-OG 3.24Å; N420-S423 WeakPolarHBondContact O-CB 3.38Å; N420-S423 PolarHBondContact O-N 3.32Å; N420-S423 PolarHBondContact O-OG 3.33Å | ||
| 424 | E | 91.9 | Very high | 92.6 | Very high | 154 Ų | 154 | 31.7 Ų | 31.7 | 72% | 0.72 | 17% | 0.166 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.7 | 178.9 | -170.9 | 169.8 | 177 | 0 | 0 | 110.8 | ||
| 425 | I | 91.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.6 | 169.5 | -53.9 | -57.5 | 0 | 0 | 0 | 107.5 | A386 I398 G399 L401 V419 I433 V462 M700 | A386-I425 HydrophobicContact CB-CB 4.45Å; A386-I425 HydrophobicContact CB-CG1 4.09Å; A386-I425 HydrophobicContact CB-CG2 3.87Å; I398-I425 WeakPolarHBondContact CA-O 3.2Å; I398-I425 WeakPolarHBondContact CB-O 3.36Å; G399-I425 PolarHBondContact N-O 3.35Å; G399-I425 PolarHBondContact O-N 2.64Å; L401-I425 HydrophobicContact CD1-CD1 4.47Å; L401-I425 HydrophobicContact CD2-CG1 4.43Å; L401-I425 HydrophobicContact CG-CG1 4.44Å; V419-I425 HydrophobicContact CG1-CD1 4.22Å; I425-I433 HydrophobicContact CD1-CG1 4.48Å; I425-V462 HydrophobicContact CG1-CG1 4.27Å; I425-M700 HydrophobicContact CG2-CE 3.76Å |
| 426 | S | 86.8 | Confident | 92.9 | Very high | 24 Ų | 24 | 31 Ų | 31 | 17% | 0.168 | 16% | 0.161 | C | C | . | . | trans | -92.5 | 160.9 | -175.7 | 79.4 | 0 | 0 | 0 | 0 | 113 | Y428 Y429 M700 | S426-Y428 VanDerWaalsContact C-N 3.26Å; S426-Y428 PolarHBondContact O-N 3.42Å; S426-Y428 PolarHBondContact OG-N 3.33Å; S426-Y429 WeakPolarHBondContact OG-CD2 3.42Å; S426-M700 WeakPolarHBondContact O-CE 3.35Å | ||
| 427 | I | 85.1 | Confident | 93 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 17% | 0.169 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.9 | 174.3 | 60.2 | 172.5 | 0 | 0 | 0 | 114.8 | I398 Y429 L676 M700 | I398-I427 HydrophobicContact CD1-CG2 3.85Å; I398-I427 HydrophobicContact CG2-CG2 3.84Å; I427-Y429 VanDerWaalsContact C-N 3.35Å; I427-Y429 PolarHBondContact O-N 3.37Å; I427-L676 HydrophobicContact CD1-CD1 4.41Å; I427-L676 HydrophobicContact CD1-CG 4.3Å; I427-M700 PolarHBondContact O-N 2.68Å |
| 428 | Y | 86.1 | Confident | 93.2 | Very high | 97 Ų | 97 | 30.7 Ų | 30.7 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -20.3 | -165.5 | -62.2 | -70.2 | 0 | 0 | 0 | 113.9 | A80 S99 P100 S426 | A80-Y428 HydrophobicContact CB-CD2 4.28Å; S99-Y428 VanDerWaalsContact CB-CE2 3.46Å; P100-Y428 HydrophobicContact CG-CE1 4.5Å; S426-Y428 VanDerWaalsContact C-N 3.26Å; S426-Y428 PolarHBondContact O-N 3.42Å; S426-Y428 PolarHBondContact OG-N 3.33Å |
| 429 | Y | 89.5 | Confident | 93.4 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -133.7 | 175.3 | -168.9 | -49.4 | -62 | 0 | 0 | 0 | 111.6 | R55 S78 A80 D81 S99 S101 Y105 S426 I427 M700 | R55-Y429 VanDerWaalsContact NH1-CD2 3.28Å; S78-Y429 WeakPolarHBondContact CB-OH 3.49Å; S78-Y429 PolarHBondContact OG-OH 2.9Å; A80-Y429 HydrophobicContact CB-CE2 4.04Å; D81-Y429 VanDerWaalsContact OD2-CE2 3.23Å; D81-Y429 WeakPolarHBondContact OD2-CE2 3.39Å; S99-Y429 PolarHBondContact O-OH 3.03Å; S101-Y429 WeakPolarHBondContact OG-CE1 3.31Å; Y105-Y429 AromaticContact CD2-CE1 3.76Å; Y105-Y429 HydrophobicContact CD2-CE1 3.76Å; Y105-Y429 AromaticContact CE2-CE1 3.77Å; Y105-Y429 HydrophobicContact CE2-CE1 3.77Å; Y105-Y429 AromaticContact CE2-CZ 3.72Å; Y105-Y429 WeakPolarHBondContact CE2-OH 3.36Å; S426-Y429 WeakPolarHBondContact OG-CD2 3.42Å; I427-Y429 VanDerWaalsContact C-N 3.35Å; I427-Y429 PolarHBondContact O-N 3.37Å; Y429-M700 WeakPolarHBondContact O-CA 3.23Å; Y429-M700 WeakPolarHBondContact O-CB 3.4Å; Y429-M700 WeakPolarHBondContact O-CE 3.4Å |
| 430 | D | 88.1 | Confident | 93.5 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | trans | -63 | 142.1 | 176 | -177 | -86 | 0 | 0 | 0 | 111.9 | Y385 M432 | Y385-D430 VanDerWaalsContact CE1-OD1 3.23Å; Y385-D430 WeakPolarHBondContact CE1-OD1 3.43Å; D430-M432 PolarHBondContact O-N 3.18Å; D430-M432 VanDerWaalsContact OD1-CB 3.24Å; D430-M432 WeakPolarHBondContact OD1-CB 3.39Å; D430-M432 PolarHBondContact OD1-N 3.22Å | ||
| 431 | P | 90.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 33 Ų | 33 | 5% | 0.045 | 17% | 0.172 | C | C | . | . | trans | -78.8 | 8.7 | -175.3 | 9.1 | 0.3 | 0 | 0 | 0 | 115.3 | Y385 A386 P396 I433 M700 | Y385-P431 HydrophobicContact CD1-CB 4.23Å; Y385-P431 HydrophobicContact CD1-CG 4.08Å; A386-P431 HydrophobicContact CB-CB 3.96Å; A386-P431 PolarHBondContact N-O 3.36Å; A386-P431 VanDerWaalsContact O-CB 3.3Å; A386-P431 WeakPolarHBondContact O-CB 3.48Å; P396-P431 HydrophobicContact CB-CG 4.36Å; P431-I433 PolarHBondContact O-N 3.3Å; P431-M700 HydrophobicContact CB-CE 3.23Å; P431-M700 HydrophobicContact CB-SD 4.17Å; P431-M700 HydrophobicContact CG-CB 4.41Å; P431-M700 HydrophobicContact CG-CE 3.5Å; P431-M700 HydrophobicContact CG-SD 4.12Å | ||
| 432 | M | 94.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 123.5 | -176.1 | -167.6 | 176.1 | -61 | 0 | 0 | 111.1 | E57 V340 Y385 D430 K435 | E57-M432 HydrophobicContact CG-SD 4.17Å; V340-M432 HydrophobicContact CG1-CE 3.91Å; V340-M432 HydrophobicContact CG1-SD 4.23Å; Y385-M432 HydrophobicContact CD1-CB 3.95Å; Y385-M432 HydrophobicContact CE1-CB 3.71Å; Y385-M432 HydrophobicContact CE1-CE 3.85Å; Y385-M432 HydrophobicContact CE1-CG 4.26Å; Y385-M432 WeakPolarHBondContact OH-CE 3.2Å; D430-M432 PolarHBondContact O-N 3.18Å; D430-M432 VanDerWaalsContact OD1-CB 3.24Å; D430-M432 WeakPolarHBondContact OD1-CB 3.39Å; D430-M432 PolarHBondContact OD1-N 3.22Å; M432-K435 HydrophobicContact SD-CG 3.9Å |
| 433 | I | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -49.8 | 176.4 | -62 | 178.6 | 0 | 0 | 0 | 108.5 | V384 A386 Y404 V419 I425 P431 I459 V462 | V384-I433 HydrophobicContact CG1-CB 4.35Å; V384-I433 HydrophobicContact CG1-CD1 4.47Å; V384-I433 WeakPolarHBondContact O-CB 3.4Å; V384-I433 PolarHBondContact O-N 3.27Å; A386-I433 HydrophobicContact CB-CD1 3.92Å; A386-I433 HydrophobicContact CB-CG1 4.06Å; Y404-I433 HydrophobicContact CD2-CG2 4.3Å; Y404-I433 HydrophobicContact CE2-CG2 3.53Å; V419-I433 HydrophobicContact CG2-CG2 3.78Å; I425-I433 HydrophobicContact CD1-CG1 4.48Å; P431-I433 PolarHBondContact O-N 3.3Å; I433-I459 HydrophobicContact CD1-CD1 3.97Å; I433-I459 HydrophobicContact CD1-CG2 4.22Å; I433-I459 HydrophobicContact CG2-CD1 4.28Å; I433-V462 HydrophobicContact CD1-CG2 4.31Å |
| 434 | C | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 145.6 | -168.9 | 178.5 | 0 | 0 | 0 | 0 | 111 | V384 C415 D416 S417 Y457 | V384-C434 HydrophobicContact CB-CB 4.35Å; V384-C434 WeakPolarHBondContact CB-O 3.36Å; V384-C434 PolarHBondContact N-O 3.4Å; V384-C434 PolarHBondContact O-N 3.06Å; C415-C434 VanDerWaalsContact CB-SG 3.6Å; D416-C434 WeakPolarHBondContact O-CA 3.39Å; S417-C434 PolarHBondContact OG-SG 2.88Å; C434-Y457 HydrophobicContact CB-CE1 4.27Å; C434-Y457 WeakPolarHBondContact CB-OH 3.45Å; C434-Y457 PolarHBondContact SG-OH 3.06Å; C434-Y457 VanDerWaalsContact SG-OH 3.34Å |
| 435 | K | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.3 | 157.7 | -55.7 | 178.7 | -67.8 | 149.6 | 0 | 107.9 | E57 V340 H342 E381 D416 M432 | E57-K435 HydrophobicContact CG-CD 4.45Å; E57-K435 HydrophobicContact CG-CG 4.4Å; V340-K435 HydrophobicContact CG1-CD 3.57Å; V340-K435 HydrophobicContact CG1-CG 4.16Å; V340-K435 VanDerWaalsContact O-CD 3.22Å; V340-K435 WeakPolarHBondContact O-CD 3.25Å; V340-K435 PolarHBondContact O-NZ 2.86Å; H342-K435 PolarHBondContact CE1-NZ 2.81Å; E381-K435 HydrophobicContact CG-CB 4.07Å; E381-K435 WeakPolarHBondContact OE1-CD 3.33Å; D416-K435 HydrophobicContact CB-CB 4.07Å; D416-K435 HydrophobicContact CB-CD 4.5Å; D416-K435 PolarHBondContact N-O 2.88Å; D416-K435 VanDerWaalsContact N-O 3.09Å; D416-K435 PolarHBondContact O-N 3.07Å; D416-K435 VanDerWaalsContact OD2-CE 3.25Å; D416-K435 WeakPolarHBondContact OD2-CE 3.4Å; D416-K435 IonicContact OD2-NZ 3.24Å; D416-K435 PolarHBondContact OD2-NZ 2.72Å; M432-K435 HydrophobicContact SD-CG 3.9Å |
| 436 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.7 | 177 | 179 | 66.3 | 0 | 0 | 0 | 108.4 | E381 C382 V384 P407 V413 C415 M450 A453 L454 Y457 | E381-L436 CarbonylContact C-O 3.53Å; E381-L436 WeakPolarHBondContact CA-O 3.24Å; C382-L436 HydrophobicContact CB-CB 4.38Å; C382-L436 PolarHBondContact N-O 2.99Å; C382-L436 PolarHBondContact O-N 2.8Å; V384-L436 HydrophobicContact CG2-CB 3.96Å; P407-L436 HydrophobicContact CG-CD1 3.82Å; V413-L436 HydrophobicContact CG1-CD1 3.73Å; C415-L436 VanDerWaalsContact SG-CD1 3.53Å; L436-M450 HydrophobicContact CD2-SD 3.63Å; L436-M450 HydrophobicContact CG-CE 4.5Å; L436-M450 HydrophobicContact CG-SD 3.91Å; L436-M450 WeakPolarHBondContact O-CE 3.15Å; L436-A453 HydrophobicContact CD1-CB 4.31Å; L436-A453 HydrophobicContact CD2-CB 4.08Å; L436-L454 HydrophobicContact CD2-CD2 3.58Å; L436-L454 HydrophobicContact CD2-CG 3.86Å; L436-Y457 HydrophobicContact CB-CE1 4.5Å; L436-Y457 HydrophobicContact CD1-CD1 4.41Å; L436-Y457 HydrophobicContact CD1-CE1 4.38Å; L436-Y457 HydrophobicContact CD2-CD1 4.11Å |
| 437 | V | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136 | -174.4 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | P343 I344 F380 E381 V413 C414 | P343-V437 HydrophobicContact CB-CG1 4.39Å; P343-V437 HydrophobicContact CB-CG2 3.76Å; P343-V437 HydrophobicContact CG-CG2 4.3Å; I344-V437 HydrophobicContact CG2-CG1 4Å; F380-V437 CarbonylContact O-C 3.55Å; F380-V437 VanDerWaalsContact O-CA 3.26Å; F380-V437 WeakPolarHBondContact O-CA 3.42Å; E381-V437 HydrophobicContact CB-CG2 4.32Å; E381-V437 HydrophobicContact CG-CG2 4.09Å; V413-V437 WeakPolarHBondContact CA-O 3.44Å; C414-V437 HydrophobicContact CB-CB 4.29Å; C414-V437 PolarHBondContact N-O 2.92Å; C414-V437 PolarHBondContact O-N 3.28Å |
| 438 | T | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.2 | 169.8 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | A379 F380 N412 V413 A446 T449 M450 A453 | A379-T438 CarbonylContact C-O 3.59Å; A379-T438 WeakPolarHBondContact CA-O 3.33Å; F380-T438 PolarHBondContact N-O 3.36Å; F380-T438 PolarHBondContact O-N 3.17Å; N412-T438 WeakPolarHBondContact O-CA 3.14Å; V413-T438 HydrophobicContact CG2-CG2 4.06Å; T438-A446 PolarHBondContact OG1-O 2.74Å; T438-T449 HydrophobicContact CG2-CG2 3.87Å; T438-M450 HydrophobicContact CG2-CB 4Å; T438-M450 HydrophobicContact CG2-CE 3.78Å; T438-M450 HydrophobicContact CG2-SD 3.93Å; T438-A453 HydrophobicContact CG2-CB 4.34Å |
| 439 | Y | 97 | Very high | 96.3 | Very high | 38 Ų | 38 | 26.1 Ų | 26.1 | 15% | 0.149 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.4 | 179.6 | 175.1 | -105.5 | 0 | 0 | 0 | 111.2 | C347 I348 N376 W378 A379 N412 | C347-Y439 HydrophobicContact CB-CD2 3.87Å; C347-Y439 HydrophobicContact CB-CG 4.34Å; I348-Y439 HydrophobicContact CG2-CE2 4.38Å; N376-Y439 WeakPolarHBondContact O-CE2 3.4Å; N376-Y439 PolarHBondContact O-OH 3.12Å; W378-Y439 CarbonylContact O-C 3.46Å; W378-Y439 WeakPolarHBondContact O-CA 3.48Å; W378-Y439 WeakPolarHBondContact O-CD2 3.47Å; A379-Y439 HydrophobicContact CB-CD2 4.27Å; N412-Y439 WeakPolarHBondContact CB-O 3.26Å; N412-Y439 PolarHBondContact O-N 3.04Å; N412-Y439 VanDerWaalsContact O-N 3.07Å |
| 440 | G | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 166.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G377 W378 D442 | G377-G440 CarbonylContact C-O 3.46Å; G377-G440 WeakPolarHBondContact CA-O 3.26Å; W378-G440 PolarHBondContact N-O 3.14Å; W378-G440 PolarHBondContact O-N 2.91Å; G440-D442 PolarHBondContact O-N 3.22Å |
| 441 | P | 96.2 | Very high | 97.2 | Very high | 100 Ų | 100 | 24.5 Ų | 24.5 | 65% | 0.649 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -66.4 | -24.1 | 176.6 | 27.9 | -35.4 | 0 | 0 | 0 | 113 | T445 | P441-T445 HydrophobicContact CG-CG2 4.35Š|
| 442 | D | 97.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -142.1 | 163.9 | 177.9 | 69 | 84.4 | 0 | 0 | 0 | 110.4 | G440 Q444 T445 A446 | G440-D442 PolarHBondContact O-N 3.22Å; D442-Q444 PolarHBondContact O-N 2.8Å; D442-Q444 WeakPolarHBondContact OD1-CA 3.47Å; D442-Q444 WeakPolarHBondContact OD1-CB 2.9Å; D442-Q444 PolarHBondContact OD1-N 2.73Å; D442-T445 PolarHBondContact O-N 2.93Å; D442-T445 PolarHBondContact OD1-N 3.46Å; D442-T445 PolarHBondContact OD1-OG1 3.32Å; D442-T445 WeakPolarHBondContact OD2-CB 3.21Å; D442-T445 PolarHBondContact OD2-OG1 2.83Å; D442-A446 PolarHBondContact O-N 3.49Å; D442-A446 VanDerWaalsContact O-N 3.09Å |
| 443 | R | 98 | Very high | 97.7 | Very high | 26 Ų | 26 | 27.9 Ų | 27.9 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.1 | -44.6 | -177 | -167.2 | 176.2 | -171.3 | -102.5 | 3.9 | 113 | E286 T290 W378 F380 A446 L447 F478 V479 | E286-R443 IonicContact OE1-CZ 3.37Å; E286-R443 IonicContact OE1-NE 3.02Å; E286-R443 IonicContact OE1-NH2 2.76Å; E286-R443 PolarHBondContact OE1-NH2 2.81Å; E286-R443 IonicContact OE2-CZ 3.99Å; E286-R443 IonicContact OE2-NE 2.89Å; E286-R443 PolarHBondContact OE2-NE 3.43Å; E286-R443 IonicContact OE2-NH2 2.69Å; E286-R443 PolarHBondContact OE2-NH2 3.14Å; T290-R443 VanDerWaalsContact CG2-CD 3.45Å; W378-R443 HydrophobicContact CD2-CB 3.58Å; W378-R443 HydrophobicContact CD2-CG 3.96Å; W378-R443 HydrophobicContact CE3-CB 3.89Å; W378-R443 HydrophobicContact CG-CB 3.87Å; W378-R443 HydrophobicContact CG-CG 4.11Å; W378-R443 HydrophobicContact CZ2-CB 4.32Å; W378-R443 HydrophobicContact CZ2-CG 4.2Å; W378-R443 HydrophobicContact CZ3-CB 4.37Å; F380-R443 HydrophobicContact CE2-CG 3.85Å; F380-R443 HydrophobicContact CZ-CG 3.61Å; R443-A446 PolarHBondContact O-N 2.63Å; R443-L447 HydrophobicContact CG-CD1 4.38Å; R443-L447 WeakPolarHBondContact O-CG 3.18Å; R443-L447 PolarHBondContact O-N 2.91Å; R443-F478 PolarHBondContact NH1-O 2.88Å; R443-F478 PolarHBondContact NH2-O 3.38Å; R443-V479 PolarHBondContact NH1-O 3.35Å |
| 444 | Q | 98 | Very high | 97.8 | Very high | 85 Ų | 85 | 27.9 Ų | 27.9 | 40% | 0.397 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -69 | -40.2 | -175.5 | -172.5 | 61.6 | 58.6 | 0 | 0 | 110.8 | D442 A446 L447 N448 | D442-Q444 PolarHBondContact O-N 2.8Å; D442-Q444 WeakPolarHBondContact OD1-CA 3.47Å; D442-Q444 WeakPolarHBondContact OD1-CB 2.9Å; D442-Q444 PolarHBondContact OD1-N 2.73Å; Q444-A446 VanDerWaalsContact C-N 3.34Å; Q444-A446 PolarHBondContact O-N 2.99Å; Q444-L447 PolarHBondContact O-N 2.88Å; Q444-N448 PolarHBondContact NE2-OD1 2.97Å; Q444-N448 WeakPolarHBondContact O-CB 3.47Å; Q444-N448 PolarHBondContact O-N 2.91Å; Q444-N448 PolarHBondContact O-ND2 3.46Å; Q444-N448 PolarHBondContact O-OD1 3.09Å |
| 445 | T | 98 | Very high | 97.8 | Very high | 51 Ų | 51 | 28.4 Ų | 28.4 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | P441 D442 N448 T449 | P441-T445 HydrophobicContact CG-CG2 4.35Å; D442-T445 PolarHBondContact O-N 2.93Å; D442-T445 PolarHBondContact OD1-N 3.46Å; D442-T445 PolarHBondContact OD1-OG1 3.32Å; D442-T445 WeakPolarHBondContact OD2-CB 3.21Å; D442-T445 PolarHBondContact OD2-OG1 2.83Å; T445-N448 PolarHBondContact O-N 3.34Å; T445-T449 PolarHBondContact O-N 2.64Å; T445-T449 PolarHBondContact O-OG1 2.81Å |
| 446 | A | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W378 F380 T438 D442 R443 Q444 T449 M450 | W378-A446 HydrophobicContact CB-CB 4.33Å; F380-A446 HydrophobicContact CD2-CB 3.73Å; F380-A446 HydrophobicContact CE2-CB 3.93Å; T438-A446 PolarHBondContact OG1-O 2.74Å; D442-A446 PolarHBondContact O-N 3.49Å; D442-A446 VanDerWaalsContact O-N 3.09Å; R443-A446 PolarHBondContact O-N 2.63Å; Q444-A446 VanDerWaalsContact C-N 3.34Å; Q444-A446 PolarHBondContact O-N 2.99Å; A446-T449 PolarHBondContact O-N 3.25Å; A446-M450 PolarHBondContact O-N 2.86Å |
| 447 | L | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.6 | -73.4 | 176.8 | 0 | 0 | 0 | 113 | F380 R443 Q444 T449 M450 T451 V473 F478 V479 | F380-L447 HydrophobicContact CD1-CD2 4.09Å; F380-L447 HydrophobicContact CD2-CD2 3.98Å; F380-L447 HydrophobicContact CD2-CG 4.28Å; F380-L447 HydrophobicContact CE1-CD2 3.69Å; F380-L447 HydrophobicContact CE1-CG 4.4Å; F380-L447 HydrophobicContact CE2-CD2 3.59Å; F380-L447 HydrophobicContact CE2-CG 3.57Å; F380-L447 HydrophobicContact CG-CD2 4.22Å; F380-L447 HydrophobicContact CZ-CD1 4.23Å; F380-L447 HydrophobicContact CZ-CD2 3.42Å; F380-L447 VanDerWaalsContact CZ-CD2 3.42Å; F380-L447 HydrophobicContact CZ-CG 3.64Å; R443-L447 HydrophobicContact CG-CD1 4.38Å; R443-L447 WeakPolarHBondContact O-CG 3.18Å; R443-L447 PolarHBondContact O-N 2.91Å; Q444-L447 PolarHBondContact O-N 2.88Å; L447-T449 VanDerWaalsContact C-N 3.28Å; L447-T449 PolarHBondContact O-N 3.21Å; L447-M450 PolarHBondContact O-N 2.96Å; L447-T451 WeakPolarHBondContact O-CB 3.3Å; L447-T451 PolarHBondContact O-N 2.82Å; L447-T451 PolarHBondContact O-OG1 2.93Å; L447-V473 HydrophobicContact CD2-CB 4.37Å; L447-F478 HydrophobicContact CD2-CD1 4.36Å; L447-F478 HydrophobicContact CD2-CE1 3.57Å; L447-F478 HydrophobicContact CD2-CZ 4.42Å; L447-V479 HydrophobicContact CD1-CG2 4.48Å |
| 448 | N | 97.5 | Very high | 97.7 | Very high | 78 Ų | 78 | 28.4 Ų | 28.4 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.4 | -40 | 176.2 | -69.2 | -14.1 | 0 | 0 | 0 | 110.7 | Q444 T445 T451 K452 | Q444-N448 PolarHBondContact NE2-OD1 2.97Å; Q444-N448 WeakPolarHBondContact O-CB 3.47Å; Q444-N448 PolarHBondContact O-N 2.91Å; Q444-N448 PolarHBondContact O-ND2 3.46Å; Q444-N448 PolarHBondContact O-OD1 3.09Å; T445-N448 PolarHBondContact O-N 3.34Å; N448-T451 WeakPolarHBondContact O-CB 3.38Å; N448-T451 PolarHBondContact O-N 3.28Å; N448-K452 WeakPolarHBondContact O-CG 3Å; N448-K452 PolarHBondContact O-N 3.01Å; N448-K452 VanDerWaalsContact O-N 3.16Å |
| 449 | T | 97.7 | Very high | 97.7 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 173.1 | -57 | 0 | 0 | 0 | 0 | 111.2 | I410 V413 T438 T445 A446 L447 T451 K452 A453 | I410-T449 HydrophobicContact CG2-CG2 4.09Å; V413-T449 HydrophobicContact CG2-CG2 3.61Å; T438-T449 HydrophobicContact CG2-CG2 3.87Å; T445-T449 PolarHBondContact O-N 2.64Å; T445-T449 PolarHBondContact O-OG1 2.81Å; A446-T449 PolarHBondContact O-N 3.25Å; L447-T449 VanDerWaalsContact C-N 3.28Å; L447-T449 PolarHBondContact O-N 3.21Å; T449-T451 VanDerWaalsContact C-N 3.31Å; T449-T451 PolarHBondContact O-N 2.93Å; T449-K452 PolarHBondContact O-N 3.35Å; T449-A453 WeakPolarHBondContact O-CB 3.33Å; T449-A453 PolarHBondContact O-N 3Å |
| 450 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | 177.2 | -173.9 | 59.3 | 79.9 | 0 | 0 | 111.9 | F380 C382 L436 T438 A446 L447 A453 L454 V473 | F380-M450 HydrophobicContact CB-CE 3.76Å; F380-M450 WeakPolarHBondContact O-CE 3.39Å; C382-M450 HydrophobicContact CB-CE 4.12Å; C382-M450 HydrophobicContact CB-SD 4.08Å; L436-M450 HydrophobicContact CD2-SD 3.63Å; L436-M450 HydrophobicContact CG-CE 4.5Å; L436-M450 HydrophobicContact CG-SD 3.91Å; L436-M450 WeakPolarHBondContact O-CE 3.15Å; T438-M450 HydrophobicContact CG2-CB 4Å; T438-M450 HydrophobicContact CG2-CE 3.78Å; T438-M450 HydrophobicContact CG2-SD 3.93Å; A446-M450 PolarHBondContact O-N 2.86Å; L447-M450 PolarHBondContact O-N 2.96Å; M450-A453 PolarHBondContact O-N 2.85Å; M450-L454 HydrophobicContact CG-CD1 3.88Å; M450-L454 HydrophobicContact CG-CG 4.35Å; M450-L454 WeakPolarHBondContact O-CB 3.33Å; M450-L454 WeakPolarHBondContact O-CG 3.43Å; M450-L454 PolarHBondContact O-N 3Å; M450-L454 HydrophobicContact SD-CD1 4.19Å; M450-L454 HydrophobicContact SD-CG 4.14Å; M450-V473 HydrophobicContact CG-CG1 3.88Å |
| 451 | T | 97.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.6 | -53.9 | 174.5 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | L447 N448 T449 A453 L454 D455 | L447-T451 WeakPolarHBondContact O-CB 3.3Å; L447-T451 PolarHBondContact O-N 2.82Å; L447-T451 PolarHBondContact O-OG1 2.93Å; N448-T451 WeakPolarHBondContact O-CB 3.38Å; N448-T451 PolarHBondContact O-N 3.28Å; T449-T451 VanDerWaalsContact C-N 3.31Å; T449-T451 PolarHBondContact O-N 2.93Å; T451-A453 VanDerWaalsContact C-N 3.31Å; T451-A453 PolarHBondContact O-N 2.62Å; T451-L454 PolarHBondContact O-N 2.98Å; T451-D455 PolarHBondContact O-N 2.97Å; T451-D455 VanDerWaalsContact O-N 3.09Å |
| 452 | K | 96.7 | Very high | 97.3 | Very high | 96 Ų | 96 | 26.4 Ų | 26.4 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.5 | -67 | -178.4 | -179.5 | -166.4 | 0 | 112 | I410 N448 T449 S456 I620 | I410-K452 HydrophobicContact CD1-CB 3.94Å; I410-K452 WeakPolarHBondContact CD1-O 3.32Å; N448-K452 WeakPolarHBondContact O-CG 3Å; N448-K452 PolarHBondContact O-N 3.01Å; N448-K452 VanDerWaalsContact O-N 3.16Å; T449-K452 PolarHBondContact O-N 3.35Å; K452-S456 WeakPolarHBondContact O-CB 3.39Å; K452-S456 PolarHBondContact O-N 2.93Å; K452-S456 PolarHBondContact O-OG 3.32Å; K452-I620 HydrophobicContact CB-CD1 4.25Å; K452-I620 HydrophobicContact CG-CD1 4.42Å |
| 453 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.8 | -49 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P407 I410 V413 L436 T438 T449 M450 T451 S456 Y457 | P407-A453 HydrophobicContact CB-CB 4.24Å; P407-A453 WeakPolarHBondContact CB-O 3.45Å; P407-A453 HydrophobicContact CG-CB 3.97Å; P407-A453 WeakPolarHBondContact CG-O 3.25Å; I410-A453 HydrophobicContact CD1-CB 4.49Å; V413-A453 HydrophobicContact CG1-CB 4.2Å; V413-A453 HydrophobicContact CG2-CB 3.93Å; L436-A453 HydrophobicContact CD1-CB 4.31Å; L436-A453 HydrophobicContact CD2-CB 4.08Å; T438-A453 HydrophobicContact CG2-CB 4.34Å; T449-A453 WeakPolarHBondContact O-CB 3.33Å; T449-A453 PolarHBondContact O-N 3Å; M450-A453 PolarHBondContact O-N 2.85Å; T451-A453 VanDerWaalsContact C-N 3.31Å; T451-A453 PolarHBondContact O-N 2.62Å; A453-S456 CarbonylContact O-C 3.42Å; A453-S456 PolarHBondContact O-N 3.07Å; A453-S456 VanDerWaalsContact O-N 3.16Å; A453-Y457 WeakPolarHBondContact O-CB 3.38Å; A453-Y457 PolarHBondContact O-N 3.5Å |
| 454 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 177.9 | -73 | 168.8 | 0 | 0 | 0 | 112.2 | L436 M450 T451 S456 Y457 I466 L469 R470 V473 | L436-L454 HydrophobicContact CD2-CD2 3.58Å; L436-L454 HydrophobicContact CD2-CG 3.86Å; M450-L454 HydrophobicContact CG-CD1 3.88Å; M450-L454 HydrophobicContact CG-CG 4.35Å; M450-L454 WeakPolarHBondContact O-CB 3.33Å; M450-L454 WeakPolarHBondContact O-CG 3.43Å; M450-L454 PolarHBondContact O-N 3Å; M450-L454 HydrophobicContact SD-CD1 4.19Å; M450-L454 HydrophobicContact SD-CG 4.14Å; T451-L454 PolarHBondContact O-N 2.98Å; L454-S456 PolarHBondContact O-N 2.89Å; L454-Y457 PolarHBondContact O-N 3.33Å; L454-I466 HydrophobicContact CB-CG2 4.24Å; L454-I466 HydrophobicContact CD2-CG1 4.2Å; L454-I466 HydrophobicContact CD2-CG2 4.13Å; L454-L469 HydrophobicContact CD1-CB 4.07Å; L454-L469 HydrophobicContact CD2-CB 4.13Å; L454-L469 HydrophobicContact CD2-CD1 4.27Å; L454-R470 HydrophobicContact CB-CB 4.22Å; L454-R470 HydrophobicContact CB-CG 4.46Å; L454-R470 HydrophobicContact CD1-CB 4.21Å; L454-V473 HydrophobicContact CD1-CG1 4.33Å; L454-V473 HydrophobicContact CD1-CG2 3.98Å |
| 455 | D | 97.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -27.9 | 176.1 | -72 | -31.5 | 0 | 0 | 0 | 112.3 | T451 R470 I620 Q622 G637 | T451-D455 PolarHBondContact O-N 2.97Å; T451-D455 VanDerWaalsContact O-N 3.09Å; D455-R470 WeakPolarHBondContact OD1-CD 3.41Å; D455-R470 IonicContact OD1-NE 3.19Å; D455-R470 PolarHBondContact OD1-NE 2.95Å; D455-R470 VanDerWaalsContact OD1-NE 3.07Å; D455-R470 IonicContact OD2-CZ 3.55Å; D455-R470 IonicContact OD2-NE 3.68Å; D455-R470 PolarHBondContact OD2-NE 3.22Å; D455-R470 IonicContact OD2-NH2 2.67Å; D455-R470 PolarHBondContact OD2-NH2 3.39Å; D455-I620 HydrophobicContact CB-CB 3.91Å; D455-I620 HydrophobicContact CB-CG2 4.03Å; D455-Q622 WeakPolarHBondContact O-CG 3.43Å; D455-Q622 PolarHBondContact O-NE2 3.29Å; D455-G637 PolarHBondContact OD1-N 2.81Å |
| 456 | S | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -90.7 | -6 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 114.7 | K452 A453 L454 V458 I609 I620 | K452-S456 WeakPolarHBondContact O-CB 3.39Å; K452-S456 PolarHBondContact O-N 2.93Å; K452-S456 PolarHBondContact O-OG 3.32Å; A453-S456 CarbonylContact O-C 3.42Å; A453-S456 PolarHBondContact O-N 3.07Å; A453-S456 VanDerWaalsContact O-N 3.16Å; L454-S456 PolarHBondContact O-N 2.89Å; S456-V458 PolarHBondContact O-N 3.35Å; S456-I609 WeakPolarHBondContact O-CD1 3.39Å; S456-I620 WeakPolarHBondContact OG-CD1 3.08Å |
| 457 | Y | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -83.2 | 107.6 | -175.3 | -159.3 | 158.9 | 0 | 0 | 0 | 110.3 | V384 Y404 S405 E406 P407 C434 L436 A453 L454 I459 I466 Q622 | V384-Y457 HydrophobicContact CG1-CE1 4.46Å; V384-Y457 HydrophobicContact CG2-CD1 4.35Å; V384-Y457 HydrophobicContact CG2-CE1 4.03Å; Y404-Y457 HydrophobicContact CD2-CE2 4.23Å; Y404-Y457 AromaticContact CE2-CE2 3.63Å; Y404-Y457 HydrophobicContact CE2-CE2 3.63Å; Y404-Y457 AromaticContact CE2-CZ 3.93Å; Y404-Y457 WeakPolarHBondContact CE2-OH 3.29Å; Y404-Y457 PolarHBondContact OH-OH 2.79Å; S405-Y457 VanDerWaalsContact O-CD2 3.3Å; S405-Y457 WeakPolarHBondContact O-CD2 3.44Å; E406-Y457 HydrophobicContact CG-CE2 4.2Å; P407-Y457 HydrophobicContact CG-CD1 4.28Å; P407-Y457 HydrophobicContact CG-CG 4.28Å; C434-Y457 HydrophobicContact CB-CE1 4.27Å; C434-Y457 WeakPolarHBondContact CB-OH 3.45Å; C434-Y457 PolarHBondContact SG-OH 3.06Å; C434-Y457 VanDerWaalsContact SG-OH 3.34Å; L436-Y457 HydrophobicContact CB-CE1 4.5Å; L436-Y457 HydrophobicContact CD1-CD1 4.41Å; L436-Y457 HydrophobicContact CD1-CE1 4.38Å; L436-Y457 HydrophobicContact CD2-CD1 4.11Å; A453-Y457 WeakPolarHBondContact O-CB 3.38Å; A453-Y457 PolarHBondContact O-N 3.5Å; L454-Y457 PolarHBondContact O-N 3.33Å; Y457-I459 HydrophobicContact CD2-CD1 4.08Å; Y457-I459 HydrophobicContact CD2-CG1 3.78Å; Y457-I459 HydrophobicContact CE2-CD1 3.93Å; Y457-I459 HydrophobicContact CE2-CG1 3.83Å; Y457-I466 HydrophobicContact CD1-CD1 4.13Å; Y457-I466 HydrophobicContact CG-CD1 3.97Å; Y457-Q622 PolarHBondContact O-NE2 2.88Å | ||
| 458 | V | 97.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114.2 | -178 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | T403 Y404 S405 S456 R460 K608 I609 | T403-V458 HydrophobicContact CG2-CG1 3.92Å; Y404-V458 CarbonylContact C-O 3.6Å; Y404-V458 VanDerWaalsContact CA-O 3.31Å; Y404-V458 WeakPolarHBondContact CA-O 3.45Å; S405-V458 PolarHBondContact N-O 3.31Å; S405-V458 PolarHBondContact O-N 2.98Å; S405-V458 VanDerWaalsContact O-N 3.13Å; S456-V458 PolarHBondContact O-N 3.35Å; V458-R460 HydrophobicContact CG1-CG 4.38Å; V458-K608 HydrophobicContact CG1-CB 4.24Å; V458-K608 HydrophobicContact CG1-CD 4.16Å; V458-K608 HydrophobicContact CG2-CB 4.13Å; V458-I609 HydrophobicContact CG2-CD1 3.86Å; V458-I609 HydrophobicContact CG2-CG1 3.7Å |
| 459 | I | 97.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.3 | 172.3 | -55.6 | 179.5 | 0 | 0 | 0 | 108.1 | V384 L401 T403 Y404 I433 Y457 V462 H464 I466 | V384-I459 HydrophobicContact CG1-CD1 3.73Å; L401-I459 HydrophobicContact CD2-CG2 4.01Å; T403-I459 CarbonylContact O-C 3.52Å; Y404-I459 HydrophobicContact CD2-CG1 4.21Å; I433-I459 HydrophobicContact CD1-CD1 3.97Å; I433-I459 HydrophobicContact CD1-CG2 4.22Å; I433-I459 HydrophobicContact CG2-CD1 4.28Å; Y457-I459 HydrophobicContact CD2-CD1 4.08Å; Y457-I459 HydrophobicContact CD2-CG1 3.78Å; Y457-I459 HydrophobicContact CE2-CD1 3.93Å; Y457-I459 HydrophobicContact CE2-CG1 3.83Å; I459-V462 HydrophobicContact CG2-CG2 4.1Å; I459-H464 VanDerWaalsContact CB-CD2 3.5Å; I459-H464 WeakPolarHBondContact CB-CD2 3.4Å; I459-H464 HydrophobicContact CD1-CB 4.49Å; I459-I466 HydrophobicContact CD1-CD1 3.69Å; I459-I466 HydrophobicContact CG1-CD1 4.27Å |
| 460 | R | 95.5 | Very high | 96.7 | Very high | 42 Ų | 42 | 15.6 Ų | 15.6 | 16% | 0.158 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.2 | 176.1 | -54.2 | -70.2 | -179.5 | -90.6 | -7.2 | 111.1 | L401 R402 T403 V458 | L401-R460 CarbonylContact C-O 3.54Å; L401-R460 WeakPolarHBondContact CA-O 3.42Å; R402-R460 PolarHBondContact N-O 3.09Å; T403-R460 HydrophobicContact CG2-CG 4.44Å; T403-R460 PolarHBondContact N-O 3.49Å; T403-R460 PolarHBondContact O-N 3.4Å; V458-R460 HydrophobicContact CG1-CG 4.38Å |
| 461 | G | 93.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 16.5 Ų | 16.5 | 42% | 0.423 | 9% | 0.093 | S | C | . | . | S | Bend | trans | 102.9 | -21.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | R400 | R400-G461 CarbonylContact O-C 3.51Å; R400-G461 WeakPolarHBondContact O-CA 3.36Å |
| 462 | V | 93.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 15.4 Ų | 15.4 | 7% | 0.073 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -127.4 | 154.2 | 167 | -57.3 | 0 | 0 | 0 | 0 | 109.1 | A386 L401 I425 I433 I459 | A386-V462 HydrophobicContact CB-CB 4.44Å; A386-V462 HydrophobicContact CB-CG2 4.02Å; L401-V462 HydrophobicContact CD2-CG1 4.3Å; L401-V462 HydrophobicContact CD2-CG2 3.53Å; I425-V462 HydrophobicContact CG1-CG1 4.27Å; I433-V462 HydrophobicContact CD1-CG2 4.31Å; I459-V462 HydrophobicContact CG2-CG2 4.1Å |
| 463 | T | 92.8 | Very high | 96.8 | Very high | 61 Ų | 61 | 11 Ų | 11 | 37% | 0.374 | 7% | 0.067 | S | C | . | . | trans | -74.6 | 149.6 | 165.9 | -48.9 | 0 | 0 | 0 | 0 | 109.2 | A386 E387 D388 S397 | A386-T463 CarbonylContact C-O 3.53Å; A386-T463 WeakPolarHBondContact CA-O 3.05Å; E387-T463 PolarHBondContact N-O 2.94Å; E387-T463 VanDerWaalsContact N-O 3.14Å; E387-T463 CarbonylContact O-C 3.56Å; D388-T463 HydrophobicContact CB-CG2 3.77Å; S397-T463 WeakPolarHBondContact CB-O 3.43Å; S397-T463 PolarHBondContact OG-N 3.03Å | ||
| 464 | H | 95.5 | Very high | 96.7 | Very high | 17 Ų | 17 | 13.6 Ų | 13.6 | 8% | 0.079 | 8% | 0.083 | C | C | . | . | trans | -142.9 | 159 | -176.8 | 55.5 | 64.5 | 0 | 0 | 0 | 112.1 | Y385 E387 I459 I466 P467 | Y385-H464 VanDerWaalsContact O-CA 3.24Å; Y385-H464 WeakPolarHBondContact O-CA 3.43Å; Y385-H464 WeakPolarHBondContact O-CB 3.4Å; E387-H464 CarbonylContact O-C 3.59Å; E387-H464 WeakPolarHBondContact O-CA 3.46Å; E387-H464 PolarHBondContact O-N 3.38Å; I459-H464 VanDerWaalsContact CB-CD2 3.5Å; I459-H464 WeakPolarHBondContact CB-CD2 3.4Å; I459-H464 HydrophobicContact CD1-CB 4.49Å; H464-I466 WeakPolarHBondContact ND1-CB 3.45Å; H464-I466 PolarHBondContact O-N 2.65Å; H464-P467 WeakPolarHBondContact O-CD 3.28Å | ||
| 465 | N | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -82.6 | 0.4 | -177 | 66.9 | -14.6 | 0 | 0 | 0 | 116.2 | R383 V384 Y385 E387 P467 L468 L469 | R383-N465 PolarHBondContact O-ND2 2.84Å; V384-N465 WeakPolarHBondContact CA-OD1 3.44Å; Y385-N465 PolarHBondContact N-OD1 2.97Å; Y385-N465 PolarHBondContact O-N 3.38Å; Y385-N465 PolarHBondContact O-OD1 3.22Å; E387-N465 HydrophobicContact CG-CB 3.58Å; E387-N465 PolarHBondContact O-N 2.87Å; E387-N465 VanDerWaalsContact OE1-CB 3.25Å; E387-N465 WeakPolarHBondContact OE1-CB 3.26Å; E387-N465 PolarHBondContact OE1-ND2 2.85Å; N465-P467 VanDerWaalsContact O-N 3.11Å; N465-L468 WeakPolarHBondContact O-CB 3.38Å; N465-L468 PolarHBondContact O-N 3.02Å; N465-L469 PolarHBondContact O-N 3.35Å; N465-L469 VanDerWaalsContact O-N 3.09Å; N465-L469 WeakPolarHBondContact OD1-CD1 3.3Å |
| 466 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -45.3 | -41.5 | 175.7 | -67.8 | 169.4 | 0 | 0 | 0 | 113.6 | V384 L454 Y457 I459 H464 L468 L469 R470 | V384-I466 HydrophobicContact CG1-CD1 4.19Å; V384-I466 HydrophobicContact CG1-CG1 4.01Å; L454-I466 HydrophobicContact CB-CG2 4.24Å; L454-I466 HydrophobicContact CD2-CG1 4.2Å; L454-I466 HydrophobicContact CD2-CG2 4.13Å; Y457-I466 HydrophobicContact CD1-CD1 4.13Å; Y457-I466 HydrophobicContact CG-CD1 3.97Å; I459-I466 HydrophobicContact CD1-CD1 3.69Å; I459-I466 HydrophobicContact CG1-CD1 4.27Å; H464-I466 WeakPolarHBondContact ND1-CB 3.45Å; H464-I466 PolarHBondContact O-N 2.65Å; I466-L468 VanDerWaalsContact C-N 3.3Å; I466-L468 PolarHBondContact O-N 2.85Å; I466-L469 PolarHBondContact O-N 2.86Å; I466-R470 WeakPolarHBondContact O-CB 3.19Å; I466-R470 PolarHBondContact O-N 2.79Å |
| 467 | P | 96.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.2 | -43.6 | 177.1 | -23.9 | 31.8 | 0 | 0 | 0 | 113.6 | P389 Y390 H464 N465 D471 F496 G637 | P389-P467 HydrophobicContact CG-CB 4.39Å; P389-P467 HydrophobicContact CG-CG 4.42Å; Y390-P467 HydrophobicContact CE2-CB 4.3Å; Y390-P467 HydrophobicContact CE2-CG 4.18Å; Y390-P467 WeakPolarHBondContact OH-CB 3.29Å; H464-P467 WeakPolarHBondContact O-CD 3.28Å; N465-P467 VanDerWaalsContact O-N 3.11Å; P467-D471 PolarHBondContact O-N 2.79Å; P467-D471 VanDerWaalsContact O-N 3.16Å; P467-F496 VanDerWaalsContact C-CZ 3.49Å; P467-F496 HydrophobicContact CB-CE1 3.58Å; P467-F496 HydrophobicContact CB-CZ 3.9Å; P467-F496 WeakPolarHBondContact O-CZ 3.3Å; P467-G637 WeakPolarHBondContact CA-O 3.46Å; P467-G637 WeakPolarHBondContact CB-O 3.48Å; P467-G637 WeakPolarHBondContact CG-O 3.33Å |
| 468 | L | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.8 | -48.9 | 177.7 | 173.2 | 62.4 | 0 | 0 | 0 | 110.8 | P389 F393 N465 I466 R470 D471 I472 Y492 F496 | P389-L468 HydrophobicContact CB-CB 3.75Å; P389-L468 HydrophobicContact CB-CD2 4.26Å; P389-L468 HydrophobicContact CG-CB 4.32Å; F393-L468 HydrophobicContact CE2-CD1 4.16Å; F393-L468 HydrophobicContact CE2-CD2 4.35Å; F393-L468 HydrophobicContact CZ-CD1 4.23Å; F393-L468 HydrophobicContact CZ-CD2 4.24Å; N465-L468 WeakPolarHBondContact O-CB 3.38Å; N465-L468 PolarHBondContact O-N 3.02Å; I466-L468 VanDerWaalsContact C-N 3.3Å; I466-L468 PolarHBondContact O-N 2.85Å; L468-R470 VanDerWaalsContact C-N 3.27Å; L468-R470 PolarHBondContact O-N 2.8Å; L468-D471 PolarHBondContact O-N 2.79Å; L468-I472 HydrophobicContact CD1-CD1 3.78Å; L468-I472 HydrophobicContact CD1-CG1 4.09Å; L468-I472 HydrophobicContact CG-CD1 3.75Å; L468-I472 HydrophobicContact CG-CG1 4.47Å; L468-I472 VanDerWaalsContact O-CG1 3.28Å; L468-I472 WeakPolarHBondContact O-CG1 3.36Å; L468-I472 PolarHBondContact O-N 3.37Å; L468-Y492 HydrophobicContact CD1-CD2 4.28Å; L468-Y492 HydrophobicContact CD1-CE2 3.9Å; L468-F496 HydrophobicContact CB-CD1 4.45Å; L468-F496 HydrophobicContact CB-CD2 4.42Å; L468-F496 HydrophobicContact CB-CG 4.34Å; L468-F496 HydrophobicContact CD1-CB 4.2Å; L468-F496 HydrophobicContact CD1-CD2 3.73Å; L468-F496 HydrophobicContact CD1-CE2 4.36Å; L468-F496 HydrophobicContact CD1-CG 4.06Å |
| 469 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.2 | -45.3 | 178.9 | -63.2 | 171.5 | 0 | 0 | 0 | 111.1 | V283 I284 C382 V384 L454 N465 I466 D471 I472 V473 | V283-L469 HydrophobicContact CG1-CD2 3.62Å; I284-L469 HydrophobicContact CD1-CD2 3.96Å; I284-L469 HydrophobicContact CG1-CD2 3.73Å; C382-L469 HydrophobicContact CB-CD1 4.1Å; C382-L469 HydrophobicContact CB-CD2 4.3Å; V384-L469 HydrophobicContact CG2-CD1 4.11Å; L454-L469 HydrophobicContact CD1-CB 4.07Å; L454-L469 HydrophobicContact CD2-CB 4.13Å; L454-L469 HydrophobicContact CD2-CD1 4.27Å; N465-L469 PolarHBondContact O-N 3.35Å; N465-L469 VanDerWaalsContact O-N 3.09Å; N465-L469 WeakPolarHBondContact OD1-CD1 3.3Å; I466-L469 PolarHBondContact O-N 2.86Å; L469-D471 VanDerWaalsContact C-N 3.33Å; L469-D471 PolarHBondContact O-N 3.09Å; L469-I472 PolarHBondContact O-N 2.91Å; L469-V473 WeakPolarHBondContact O-CG1 3.34Å; L469-V473 PolarHBondContact O-N 2.81Å; L469-V473 VanDerWaalsContact O-N 3.08Å |
| 470 | R | 97.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 5% | 0.049 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | -177.9 | -179.2 | 57.1 | -172.4 | 81 | 2.8 | 112.4 | L454 D455 I466 L468 V473 T474 | L454-R470 HydrophobicContact CB-CB 4.22Å; L454-R470 HydrophobicContact CB-CG 4.46Å; L454-R470 HydrophobicContact CD1-CB 4.21Å; D455-R470 WeakPolarHBondContact OD1-CD 3.41Å; D455-R470 IonicContact OD1-NE 3.19Å; D455-R470 PolarHBondContact OD1-NE 2.95Å; D455-R470 VanDerWaalsContact OD1-NE 3.07Å; D455-R470 IonicContact OD2-CZ 3.55Å; D455-R470 IonicContact OD2-NE 3.68Å; D455-R470 PolarHBondContact OD2-NE 3.22Å; D455-R470 IonicContact OD2-NH2 2.67Å; D455-R470 PolarHBondContact OD2-NH2 3.39Å; I466-R470 WeakPolarHBondContact O-CB 3.19Å; I466-R470 PolarHBondContact O-N 2.79Å; L468-R470 VanDerWaalsContact C-N 3.27Å; L468-R470 PolarHBondContact O-N 2.8Å; R470-V473 WeakPolarHBondContact O-CG2 3.37Å; R470-T474 PolarHBondContact NH1-OG1 3.23Å; R470-T474 PolarHBondContact O-OG1 3.37Å |
| 471 | D | 97.3 | Very high | 96.7 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 10% | 0.096 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -48 | 174.8 | -168 | 55.2 | 0 | 0 | 0 | 110.9 | P467 L468 L469 V473 T474 E475 Y492 F496 K499 | P467-D471 PolarHBondContact O-N 2.79Å; P467-D471 VanDerWaalsContact O-N 3.16Å; L468-D471 PolarHBondContact O-N 2.79Å; L469-D471 VanDerWaalsContact C-N 3.33Å; L469-D471 PolarHBondContact O-N 3.09Å; D471-V473 PolarHBondContact O-N 3.41Å; D471-T474 CarbonylContact O-C 3.53Å; D471-T474 PolarHBondContact O-N 3.43Å; D471-T474 PolarHBondContact O-OG1 3.3Å; D471-T474 VanDerWaalsContact O-OG1 3.11Å; D471-E475 PolarHBondContact O-N 3.06Å; D471-Y492 WeakPolarHBondContact OD2-CE1 3.34Å; D471-Y492 PolarHBondContact OD2-OH 3.49Å; D471-F496 HydrophobicContact CB-CE2 3.82Å; D471-F496 HydrophobicContact CB-CZ 4.38Å; D471-K499 WeakPolarHBondContact OD1-CD 3.26Å; D471-K499 IonicContact OD1-NZ 3.45Å; D471-K499 PolarHBondContact OD1-NZ 2.94Å |
| 472 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.8 | -47.6 | 179.5 | -64.9 | 163.2 | 0 | 0 | 0 | 111.6 | I276 I284 L468 L469 T474 E475 F478 Y487 L488 Y492 | I276-I472 HydrophobicContact CG2-CD1 4.48Å; I284-I472 HydrophobicContact CD1-CB 3.96Å; I284-I472 HydrophobicContact CD1-CD1 4.2Å; I284-I472 HydrophobicContact CD1-CG2 3.66Å; L468-I472 HydrophobicContact CD1-CD1 3.78Å; L468-I472 HydrophobicContact CD1-CG1 4.09Å; L468-I472 HydrophobicContact CG-CD1 3.75Å; L468-I472 HydrophobicContact CG-CG1 4.47Å; L468-I472 VanDerWaalsContact O-CG1 3.28Å; L468-I472 WeakPolarHBondContact O-CG1 3.36Å; L468-I472 PolarHBondContact O-N 3.37Å; L469-I472 PolarHBondContact O-N 2.91Å; I472-T474 PolarHBondContact O-N 2.89Å; I472-E475 PolarHBondContact O-N 3.05Å; I472-F478 HydrophobicContact CG2-CB 4.16Å; I472-F478 HydrophobicContact CG2-CD1 4.17Å; I472-F478 HydrophobicContact CG2-CD2 3.87Å; I472-F478 HydrophobicContact CG2-CE2 4.35Å; I472-F478 HydrophobicContact CG2-CG 3.8Å; I472-F478 WeakPolarHBondContact O-CB 3.46Å; I472-F478 VanDerWaalsContact O-CD1 3.26Å; I472-F478 WeakPolarHBondContact O-CD1 3.11Å; I472-F478 WeakPolarHBondContact O-CG 3.35Å; I472-Y487 HydrophobicContact CG1-CE1 4.29Å; I472-Y487 HydrophobicContact CG2-CE1 3.9Å; I472-L488 HydrophobicContact CD1-CD2 3.62Å; I472-L488 HydrophobicContact CG1-CD2 4.25Å; I472-Y492 HydrophobicContact CG1-CE2 3.95Å |
| 473 | V | 98.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.9 | -176.9 | -61.5 | 0 | 0 | 0 | 0 | 114.2 | I284 L447 M450 L454 L469 R470 D471 F478 | I284-V473 HydrophobicContact CD1-CG1 4.13Å; L447-V473 HydrophobicContact CD2-CB 4.37Å; M450-V473 HydrophobicContact CG-CG1 3.88Å; L454-V473 HydrophobicContact CD1-CG1 4.33Å; L454-V473 HydrophobicContact CD1-CG2 3.98Å; L469-V473 WeakPolarHBondContact O-CG1 3.34Å; L469-V473 PolarHBondContact O-N 2.81Å; L469-V473 VanDerWaalsContact O-N 3.08Å; R470-V473 WeakPolarHBondContact O-CG2 3.37Å; D471-V473 PolarHBondContact O-N 3.41Å; V473-F478 HydrophobicContact CB-CE1 4.39Å; V473-F478 HydrophobicContact CG1-CE1 4.18Å |
| 474 | T | 96.6 | Very high | 97 | Very high | 55 Ų | 55 | 29.5 Ų | 29.5 | 34% | 0.337 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 1.5 | 174 | 52.2 | 0 | 0 | 0 | 0 | 114 | R470 D471 I472 | R470-T474 PolarHBondContact NH1-OG1 3.23Å; R470-T474 PolarHBondContact O-OG1 3.37Å; D471-T474 CarbonylContact O-C 3.53Å; D471-T474 PolarHBondContact O-N 3.43Å; D471-T474 PolarHBondContact O-OG1 3.3Å; D471-T474 VanDerWaalsContact O-OG1 3.11Å; I472-T474 PolarHBondContact O-N 2.89Å |
| 475 | E | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 30 Ų | 30 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -74.5 | 138.9 | 178.1 | -170.5 | -73.7 | 131 | 0 | 0 | 109.9 | D471 I472 R477 F478 V479 Y487 V491 | D471-E475 PolarHBondContact O-N 3.06Å; I472-E475 PolarHBondContact O-N 3.05Å; E475-R477 PolarHBondContact O-N 2.67Å; E475-R477 PolarHBondContact OE1-N 3.14Å; E475-R477 WeakPolarHBondContact OE2-CA 3.39Å; E475-R477 VanDerWaalsContact OE2-CB 3.3Å; E475-R477 WeakPolarHBondContact OE2-CB 3.2Å; E475-R477 PolarHBondContact OE2-N 2.97Å; E475-F478 PolarHBondContact O-N 3.45Å; E475-F478 PolarHBondContact OE2-N 3.07Å; E475-V479 VanDerWaalsContact O-CG2 3.31Å; E475-V479 WeakPolarHBondContact O-CG2 3.31Å; E475-V479 PolarHBondContact O-N 2.84Å; E475-Y487 WeakPolarHBondContact CB-OH 3.48Å; E475-Y487 WeakPolarHBondContact CG-OH 3.43Å; E475-Y487 VanDerWaalsContact OE2-CE2 3.27Å; E475-Y487 WeakPolarHBondContact OE2-CE2 3.35Å; E475-Y487 PolarHBondContact OE2-OH 2.89Å; E475-V491 HydrophobicContact CG-CG1 3.87Å |
| 476 | K | 96.9 | Very high | 96.6 | Very high | 175 Ų | 175 | 33 Ų | 33 | 76% | 0.761 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -55.4 | -47 | -168.8 | -176.7 | -178.4 | 176.6 | -176.2 | 0 | 113.3 | V479 S480 | K476-V479 PolarHBondContact O-N 2.88Å; K476-S480 WeakPolarHBondContact O-CB 3.43Å; K476-S480 PolarHBondContact O-N 3.2Å; K476-S480 PolarHBondContact O-OG 3.43Å |
| 477 | R | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 33 Ų | 33 | 24% | 0.242 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -44.1 | -179.3 | -70.4 | -179.5 | 70.1 | -161.6 | 0.7 | 110.9 | E475 S480 G481 D482 Y487 E490 | E475-R477 PolarHBondContact O-N 2.67Å; E475-R477 PolarHBondContact OE1-N 3.14Å; E475-R477 WeakPolarHBondContact OE2-CA 3.39Å; E475-R477 VanDerWaalsContact OE2-CB 3.3Å; E475-R477 WeakPolarHBondContact OE2-CB 3.2Å; E475-R477 PolarHBondContact OE2-N 2.97Å; R477-S480 WeakPolarHBondContact CA-OG 3.26Å; R477-S480 PolarHBondContact O-N 3.42Å; R477-S480 PolarHBondContact O-OG 3.05Å; R477-G481 PolarHBondContact O-N 2.86Å; R477-D482 IonicContact CZ-OD2 2.64Å; R477-D482 IonicContact NE-OD2 3.1Å; R477-D482 PolarHBondContact NE-OD2 3.37Å; R477-D482 IonicContact NH2-OD2 2.69Å; R477-D482 PolarHBondContact O-N 2.83Å; R477-Y487 HydrophobicContact CB-CD2 4.49Å; R477-Y487 HydrophobicContact CB-CE2 3.93Å; R477-E490 IonicContact CZ-OE2 3.39Å; R477-E490 VanDerWaalsContact CZ-OE2 3.26Å; R477-E490 IonicContact NH1-OE2 3.05Å; R477-E490 PolarHBondContact NH1-OE2 3.18Å; R477-E490 IonicContact NH2-OE2 3.07Å; R477-E490 PolarHBondContact NH2-OE2 3.04Å |
| 478 | F | 98.3 | Very high | 96.4 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.1 | -175.5 | -100.7 | 0 | 0 | 0 | 112.9 | I276 I284 F380 R443 L447 I472 V473 E475 S480 G481 I483 Y487 | I276-F478 HydrophobicContact CD1-CD2 3.87Å; I276-F478 HydrophobicContact CD1-CE2 4.14Å; I276-F478 HydrophobicContact CG1-CD2 3.93Å; I276-F478 HydrophobicContact CG1-CE2 3.68Å; I284-F478 HydrophobicContact CG2-CE2 4.22Å; I284-F478 HydrophobicContact CG2-CZ 3.82Å; F380-F478 HydrophobicContact CD1-CZ 4.1Å; F380-F478 HydrophobicContact CE1-CE1 4.15Å; F380-F478 AromaticContact CE1-CZ 3.74Å; F380-F478 HydrophobicContact CE1-CZ 3.74Å; R443-F478 PolarHBondContact NH1-O 2.88Å; R443-F478 PolarHBondContact NH2-O 3.38Å; L447-F478 HydrophobicContact CD2-CD1 4.36Å; L447-F478 HydrophobicContact CD2-CE1 3.57Å; L447-F478 HydrophobicContact CD2-CZ 4.42Å; I472-F478 HydrophobicContact CG2-CB 4.16Å; I472-F478 HydrophobicContact CG2-CD1 4.17Å; I472-F478 HydrophobicContact CG2-CD2 3.87Å; I472-F478 HydrophobicContact CG2-CE2 4.35Å; I472-F478 HydrophobicContact CG2-CG 3.8Å; I472-F478 WeakPolarHBondContact O-CB 3.46Å; I472-F478 VanDerWaalsContact O-CD1 3.26Å; I472-F478 WeakPolarHBondContact O-CD1 3.11Å; I472-F478 WeakPolarHBondContact O-CG 3.35Å; V473-F478 HydrophobicContact CB-CE1 4.39Å; V473-F478 HydrophobicContact CG1-CE1 4.18Å; E475-F478 PolarHBondContact O-N 3.45Å; E475-F478 PolarHBondContact OE2-N 3.07Å; F478-S480 VanDerWaalsContact C-N 3.32Å; F478-S480 PolarHBondContact O-N 3.07Å; F478-G481 PolarHBondContact O-N 2.97Å; F478-I483 HydrophobicContact CB-CG2 4.39Å; F478-I483 HydrophobicContact CD2-CG2 4.03Å; F478-Y487 HydrophobicContact CB-CE2 4.08Å |
| 479 | V | 98.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 36.5 Ų | 36.5 | 29% | 0.285 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | R443 L447 E475 K476 G481 | R443-V479 PolarHBondContact NH1-O 3.35Å; L447-V479 HydrophobicContact CD1-CG2 4.48Å; E475-V479 VanDerWaalsContact O-CG2 3.31Å; E475-V479 WeakPolarHBondContact O-CG2 3.31Å; E475-V479 PolarHBondContact O-N 2.84Å; K476-V479 PolarHBondContact O-N 2.88Å; V479-G481 VanDerWaalsContact C-N 3.26Å; V479-G481 PolarHBondContact O-N 2.59Å |
| 480 | S | 97.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 57% | 0.573 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -74.7 | -14 | 175.3 | 70.7 | 0 | 0 | 0 | 0 | 114.2 | K476 R477 F478 D482 | K476-S480 WeakPolarHBondContact O-CB 3.43Å; K476-S480 PolarHBondContact O-N 3.2Å; K476-S480 PolarHBondContact O-OG 3.43Å; R477-S480 WeakPolarHBondContact CA-OG 3.26Å; R477-S480 PolarHBondContact O-N 3.42Å; R477-S480 PolarHBondContact O-OG 3.05Å; F478-S480 VanDerWaalsContact C-N 3.32Å; F478-S480 PolarHBondContact O-N 3.07Å; S480-D482 VanDerWaalsContact C-N 3.31Å; S480-D482 PolarHBondContact OG-N 3.32Å |
| 481 | G | 95.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 8.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R252 R477 F478 V479 I483 | R252-G481 VanDerWaalsContact CZ-O 3.28Å; R252-G481 PolarHBondContact NH1-O 3.11Å; R252-G481 PolarHBondContact NH2-O 2.66Å; R477-G481 PolarHBondContact O-N 2.86Å; F478-G481 PolarHBondContact O-N 2.97Å; V479-G481 VanDerWaalsContact C-N 3.26Å; V479-G481 PolarHBondContact O-N 2.59Å; G481-I483 VanDerWaalsContact C-N 3.28Å; G481-I483 PolarHBondContact O-N 2.95Å |
| 482 | D | 95.7 | Very high | 95.6 | Very high | 83 Ų | 83 | 41.8 Ų | 41.8 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | trans | -78.6 | 73.1 | 173.5 | 178 | 40.6 | 0 | 0 | 0 | 111.2 | R477 S480 | R477-D482 IonicContact CZ-OD2 2.64Å; R477-D482 IonicContact NE-OD2 3.1Å; R477-D482 PolarHBondContact NE-OD2 3.37Å; R477-D482 IonicContact NH2-OD2 2.69Å; R477-D482 PolarHBondContact O-N 2.83Å; S480-D482 VanDerWaalsContact C-N 3.31Å; S480-D482 PolarHBondContact OG-N 3.32Å | ||
| 483 | I | 96.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 46.3 Ų | 46.3 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -124 | 156.1 | -174.9 | 64.6 | 175 | 0 | 0 | 0 | 111.6 | R252 E273 I276 F478 G481 Y487 | R252-I483 PolarHBondContact NE-O 2.8Å; R252-I483 PolarHBondContact NH2-O 3.28Å; E273-I483 HydrophobicContact CG-CD1 4.23Å; I276-I483 HydrophobicContact CD1-CB 3.94Å; I276-I483 HydrophobicContact CD1-CD1 3.97Å; I276-I483 HydrophobicContact CD1-CG2 3.97Å; I276-I483 HydrophobicContact CG1-CD1 4.32Å; F478-I483 HydrophobicContact CB-CG2 4.39Å; F478-I483 HydrophobicContact CD2-CG2 4.03Å; G481-I483 VanDerWaalsContact C-N 3.28Å; G481-I483 PolarHBondContact O-N 2.95Å; I483-Y487 HydrophobicContact CB-CD2 4.33Å; I483-Y487 HydrophobicContact CG2-CD2 3.81Å; I483-Y487 HydrophobicContact CG2-CE2 4.11Å; I483-Y487 HydrophobicContact CG2-CG 4.45Å | ||
| 484 | S | 95 | Very high | 94.6 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -151.9 | 174.7 | 173.1 | 76.2 | 0 | 0 | 0 | 0 | 108.8 | K486 Y487 | S484-K486 PolarHBondContact O-N 3.11Å; S484-K486 PolarHBondContact OG-N 2.66Å; S484-K486 VanDerWaalsContact OG-N 3.15Å; S484-Y487 WeakPolarHBondContact O-CB 3.22Å; S484-Y487 PolarHBondContact O-N 3.44Å | ||
| 485 | T | 92.6 | Very high | 94.1 | Very high | 26 Ų | 26 | 50.8 Ų | 50.8 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -13.8 | 172.3 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | P251 H253 S275 Q277 | P251-T485 WeakPolarHBondContact CD-OG1 3.41Å; P251-T485 WeakPolarHBondContact CG-OG1 3.04Å; P251-T485 WeakPolarHBondContact O-CG2 3.32Å; P251-T485 PolarHBondContact O-N 3Å; P251-T485 PolarHBondContact O-OG1 3.09Å; H253-T485 HydrophobicContact CB-CG2 4.07Å; S275-T485 WeakPolarHBondContact O-CA 3.49Å; Q277-T485 HydrophobicContact CG-CG2 4.4Å; Q277-T485 VanDerWaalsContact NE2-CB 3.3Å |
| 486 | K | 91.4 | Very high | 93.8 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 27% | 0.274 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.6 | 175.3 | -59.3 | -175.3 | -168.4 | 162.1 | 0 | 113.7 | D249 N250 S484 L488 S489 E490 | D249-K486 IonicContact OD1-NZ 2.71Å; D249-K486 PolarHBondContact OD1-NZ 3.33Å; N250-K486 WeakPolarHBondContact OD1-CD 3.16Å; N250-K486 VanDerWaalsContact OD1-CE 3.31Å; N250-K486 WeakPolarHBondContact OD1-CE 3.42Å; N250-K486 PolarHBondContact OD1-NZ 3.08Å; S484-K486 PolarHBondContact O-N 3.11Å; S484-K486 PolarHBondContact OG-N 2.66Å; S484-K486 VanDerWaalsContact OG-N 3.15Å; K486-L488 VanDerWaalsContact C-N 3.34Å; K486-L488 PolarHBondContact O-N 3.45Å; K486-S489 PolarHBondContact O-N 3.21Å; K486-S489 VanDerWaalsContact O-N 3.08Å; K486-S489 PolarHBondContact O-OG 3.05Å; K486-E490 HydrophobicContact CB-CG 4.26Å; K486-E490 WeakPolarHBondContact O-CG 3.35Å; K486-E490 PolarHBondContact O-N 3.16Å |
| 487 | Y | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -48 | -52.4 | -173 | 171.1 | -91.5 | 0 | 0 | 0 | 112.8 | I276 I472 E475 R477 F478 I483 S484 S489 E490 V491 | I276-Y487 HydrophobicContact CD1-CD1 3.59Å; I276-Y487 HydrophobicContact CD1-CD2 4.35Å; I276-Y487 HydrophobicContact CD1-CE1 4.18Å; I276-Y487 HydrophobicContact CD1-CG 3.7Å; I276-Y487 HydrophobicContact CG2-CD1 4.43Å; I472-Y487 HydrophobicContact CG1-CE1 4.29Å; I472-Y487 HydrophobicContact CG2-CE1 3.9Å; E475-Y487 WeakPolarHBondContact CB-OH 3.48Å; E475-Y487 WeakPolarHBondContact CG-OH 3.43Å; E475-Y487 VanDerWaalsContact OE2-CE2 3.27Å; E475-Y487 WeakPolarHBondContact OE2-CE2 3.35Å; E475-Y487 PolarHBondContact OE2-OH 2.89Å; R477-Y487 HydrophobicContact CB-CD2 4.49Å; R477-Y487 HydrophobicContact CB-CE2 3.93Å; F478-Y487 HydrophobicContact CB-CE2 4.08Å; I483-Y487 HydrophobicContact CB-CD2 4.33Å; I483-Y487 HydrophobicContact CG2-CD2 3.81Å; I483-Y487 HydrophobicContact CG2-CE2 4.11Å; I483-Y487 HydrophobicContact CG2-CG 4.45Å; S484-Y487 WeakPolarHBondContact O-CB 3.22Å; S484-Y487 PolarHBondContact O-N 3.44Å; Y487-S489 VanDerWaalsContact C-N 3.35Å; Y487-S489 PolarHBondContact O-N 3.11Å; Y487-E490 PolarHBondContact O-N 3.29Å; Y487-E490 VanDerWaalsContact O-N 3.16Å; Y487-V491 HydrophobicContact CD2-CG2 3.92Å; Y487-V491 HydrophobicContact CE1-CG2 4.31Å; Y487-V491 HydrophobicContact CE2-CG2 3.59Å; Y487-V491 HydrophobicContact CG-CG2 4.41Å; Y487-V491 WeakPolarHBondContact O-CB 3.45Å; Y487-V491 WeakPolarHBondContact O-CG2 3.35Å; Y487-V491 PolarHBondContact O-N 2.86Å |
| 488 | L | 94.1 | Very high | 93 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -37.5 | -176.2 | -67.2 | -176.7 | 0 | 0 | 0 | 112.9 | I276 Q277 R278 V283 F393 I472 K486 E490 Y492 | I276-L488 HydrophobicContact CG2-CD1 4.46Å; I276-L488 HydrophobicContact CG2-CD2 4.15Å; I276-L488 HydrophobicContact CG2-CG 4.29Å; Q277-L488 WeakPolarHBondContact O-CD1 3.48Å; R278-L488 HydrophobicContact CB-CD1 3.92Å; V283-L488 HydrophobicContact CG2-CD1 4.23Å; F393-L488 HydrophobicContact CE1-CB 3.88Å; F393-L488 HydrophobicContact CE1-CD1 3.97Å; F393-L488 HydrophobicContact CE1-CG 4.39Å; F393-L488 HydrophobicContact CZ-CB 4.09Å; F393-L488 HydrophobicContact CZ-CD1 4.43Å; F393-L488 HydrophobicContact CZ-CD2 4.35Å; I472-L488 HydrophobicContact CD1-CD2 3.62Å; I472-L488 HydrophobicContact CG1-CD2 4.25Å; K486-L488 VanDerWaalsContact C-N 3.34Å; K486-L488 PolarHBondContact O-N 3.45Å; L488-E490 VanDerWaalsContact C-N 3.33Å; L488-Y492 HydrophobicContact CD2-CD2 4.1Å; L488-Y492 HydrophobicContact CD2-CE2 4.1Å; L488-Y492 WeakPolarHBondContact O-CA 3.24Å; L488-Y492 WeakPolarHBondContact O-CB 3.4Å; L488-Y492 PolarHBondContact O-N 2.91Å |
| 489 | S | 90.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 54% | 0.538 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.5 | -27.8 | 176.9 | 44.5 | 0 | 0 | 0 | 0 | 113.3 | K486 Y487 P493 | K486-S489 PolarHBondContact O-N 3.21Å; K486-S489 VanDerWaalsContact O-N 3.08Å; K486-S489 PolarHBondContact O-OG 3.05Å; Y487-S489 VanDerWaalsContact C-N 3.35Å; Y487-S489 PolarHBondContact O-N 3.11Å; S489-P493 VanDerWaalsContact O-CA 3.27Å; S489-P493 WeakPolarHBondContact O-CA 3.28Å |
| 490 | E | 93.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 49.4 Ų | 49.4 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -82.6 | -38.3 | 178.9 | -69.7 | 173.4 | 178.4 | 0 | 0 | 112 | R477 K486 Y487 L488 | R477-E490 IonicContact CZ-OE2 3.39Å; R477-E490 VanDerWaalsContact CZ-OE2 3.26Å; R477-E490 IonicContact NH1-OE2 3.05Å; R477-E490 PolarHBondContact NH1-OE2 3.18Å; R477-E490 IonicContact NH2-OE2 3.07Å; R477-E490 PolarHBondContact NH2-OE2 3.04Å; K486-E490 HydrophobicContact CB-CG 4.26Å; K486-E490 WeakPolarHBondContact O-CG 3.35Å; K486-E490 PolarHBondContact O-N 3.16Å; Y487-E490 PolarHBondContact O-N 3.29Å; Y487-E490 VanDerWaalsContact O-N 3.16Å; L488-E490 VanDerWaalsContact C-N 3.33Å |
| 491 | V | 94.9 | Very high | 91.7 | Very high | 36 Ų | 36 | 46.4 Ų | 46.4 | 22% | 0.218 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82.3 | -33 | -179.7 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | E475 Y487 P493 | E475-V491 HydrophobicContact CG-CG1 3.87Å; Y487-V491 HydrophobicContact CD2-CG2 3.92Å; Y487-V491 HydrophobicContact CE1-CG2 4.31Å; Y487-V491 HydrophobicContact CE2-CG2 3.59Å; Y487-V491 HydrophobicContact CG-CG2 4.41Å; Y487-V491 WeakPolarHBondContact O-CB 3.45Å; Y487-V491 WeakPolarHBondContact O-CG2 3.35Å; Y487-V491 PolarHBondContact O-N 2.86Å; V491-P493 VanDerWaalsContact C-CD 3.42Å; V491-P493 WeakPolarHBondContact O-CD 3.21Å |
| 492 | Y | 93.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 9% | 0.09 | 28% | 0.278 | C | S | . | . | trans | -126.1 | 60.7 | -179.3 | -50.8 | -78.6 | 0 | 0 | 0 | 111.8 | F393 L468 D471 I472 L488 D494 G495 F496 | F393-Y492 HydrophobicContact CE2-CD2 4.25Å; F393-Y492 HydrophobicContact CE2-CG 4Å; F393-Y492 AromaticContact CZ-CD2 3.92Å; F393-Y492 HydrophobicContact CZ-CD2 3.92Å; F393-Y492 HydrophobicContact CZ-CG 4.1Å; L468-Y492 HydrophobicContact CD1-CD2 4.28Å; L468-Y492 HydrophobicContact CD1-CE2 3.9Å; D471-Y492 WeakPolarHBondContact OD2-CE1 3.34Å; D471-Y492 PolarHBondContact OD2-OH 3.49Å; I472-Y492 HydrophobicContact CG1-CE2 3.95Å; L488-Y492 HydrophobicContact CD2-CD2 4.1Å; L488-Y492 HydrophobicContact CD2-CE2 4.1Å; L488-Y492 WeakPolarHBondContact O-CA 3.24Å; L488-Y492 WeakPolarHBondContact O-CB 3.4Å; L488-Y492 PolarHBondContact O-N 2.91Å; Y492-D494 VanDerWaalsContact C-N 3.27Å; Y492-D494 PolarHBondContact O-N 3.4Å; Y492-G495 PolarHBondContact O-N 3.27Å; Y492-F496 HydrophobicContact CD1-CD2 4.11Å; Y492-F496 AromaticContact CE1-CD2 3.79Å; Y492-F496 HydrophobicContact CE1-CD2 3.79Å; Y492-F496 HydrophobicContact CE1-CE2 4.34Å | ||
| 493 | P | 90.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 52.2 Ų | 52.2 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -36.9 | -174.8 | 24.3 | -34.3 | 0 | 0 | 0 | 113 | S489 V491 G495 | S489-P493 VanDerWaalsContact O-CA 3.27Å; S489-P493 WeakPolarHBondContact O-CA 3.28Å; V491-P493 VanDerWaalsContact C-CD 3.42Å; V491-P493 WeakPolarHBondContact O-CD 3.21Å; P493-G495 VanDerWaalsContact C-N 3.34Å |
| 494 | D | 84.8 | Confident | 90.5 | Very high | 135 Ų | 135 | 56 Ų | 56 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 15.6 | 178.5 | -56.9 | -54.5 | 0 | 0 | 0 | 113.1 | Y492 K497 | Y492-D494 VanDerWaalsContact C-N 3.27Å; Y492-D494 PolarHBondContact O-N 3.4Å; D494-K497 WeakPolarHBondContact O-CE 3.41Å; D494-K497 PolarHBondContact O-NZ 3.45Å |
| 495 | G | 87 | Confident | 90.2 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 31% | 0.307 | C | S | . | . | trans | 79.4 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y492 P493 | Y492-G495 PolarHBondContact O-N 3.27Å; P493-G495 VanDerWaalsContact C-N 3.34Å | ||
| 496 | F | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | trans | -76.2 | 130.2 | -177.5 | -177.4 | -110.2 | 0 | 0 | 0 | 110.7 | P389 Y390 F393 P467 L468 D471 Y492 G498 | P389-F496 HydrophobicContact CB-CB 4.4Å; P389-F496 HydrophobicContact CB-CD1 3.86Å; P389-F496 HydrophobicContact CB-CG 4.4Å; P389-F496 HydrophobicContact CG-CD1 3.98Å; P389-F496 HydrophobicContact CG-CE1 4.31Å; Y390-F496 AromaticContact CD1-CD1 3.92Å; Y390-F496 HydrophobicContact CD1-CD1 3.92Å; Y390-F496 HydrophobicContact CD1-CE1 4.2Å; Y390-F496 AromaticContact CE1-CD1 3.78Å; Y390-F496 HydrophobicContact CE1-CD1 3.78Å; Y390-F496 AromaticContact CE1-CE1 3.57Å; Y390-F496 HydrophobicContact CE1-CE1 3.57Å; Y390-F496 HydrophobicContact CE2-CE1 4.29Å; Y390-F496 HydrophobicContact CG-CD1 4.39Å; Y390-F496 AromaticContact CZ-CE1 3.61Å; F393-F496 HydrophobicContact CD2-CB 3.94Å; F393-F496 VanDerWaalsContact CD2-N 3.28Å; F393-F496 HydrophobicContact CE2-CB 3.76Å; P467-F496 VanDerWaalsContact C-CZ 3.49Å; P467-F496 HydrophobicContact CB-CE1 3.58Å; P467-F496 HydrophobicContact CB-CZ 3.9Å; P467-F496 WeakPolarHBondContact O-CZ 3.3Å; L468-F496 HydrophobicContact CB-CD1 4.45Å; L468-F496 HydrophobicContact CB-CD2 4.42Å; L468-F496 HydrophobicContact CB-CG 4.34Å; L468-F496 HydrophobicContact CD1-CB 4.2Å; L468-F496 HydrophobicContact CD1-CD2 3.73Å; L468-F496 HydrophobicContact CD1-CE2 4.36Å; L468-F496 HydrophobicContact CD1-CG 4.06Å; D471-F496 HydrophobicContact CB-CE2 3.82Å; D471-F496 HydrophobicContact CB-CZ 4.38Å; Y492-F496 HydrophobicContact CD1-CD2 4.11Å; Y492-F496 AromaticContact CE1-CD2 3.79Å; Y492-F496 HydrophobicContact CE1-CD2 3.79Å; Y492-F496 HydrophobicContact CE1-CE2 4.34Å; F496-G498 VanDerWaalsContact CZ-CA 3.42Å | ||
| 497 | K | 87.7 | Confident | 90 | Very high | 134 Ų | 134 | 56 Ų | 56 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | trans | -116.1 | 4.4 | -179.1 | -55.2 | -59.2 | 176.4 | -165.5 | 0 | 113.6 | D494 A544 | D494-K497 WeakPolarHBondContact O-CE 3.41Å; D494-K497 PolarHBondContact O-NZ 3.45Å; K497-A544 VanDerWaalsContact O-CB 3.31Å; K497-A544 WeakPolarHBondContact O-CB 3.21Å | ||
| 498 | G | 89.6 | Confident | 89.8 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | trans | 88 | 171.9 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | F496 | F496-G498 VanDerWaalsContact CZ-CA 3.42Š| ||
| 499 | K | 89.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 56 Ų | 56 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 129.6 | -177.3 | -171.5 | 64.8 | 172.5 | -178.9 | 0 | 111.5 | D471 L501 N545 L636 T638 F640 | D471-K499 WeakPolarHBondContact OD1-CD 3.26Å; D471-K499 IonicContact OD1-NZ 3.45Å; D471-K499 PolarHBondContact OD1-NZ 2.94Å; K499-L501 HydrophobicContact CB-CD2 4.45Å; K499-L501 HydrophobicContact CG-CD2 3.96Å; K499-N545 PolarHBondContact O-ND2 3.2Å; K499-L636 HydrophobicContact CG-CB 4.11Å; K499-L636 HydrophobicContact CG-CD1 4.12Å; K499-T638 VanDerWaalsContact CB-OG1 3.3Å; K499-T638 WeakPolarHBondContact CB-OG1 3.29Å; K499-T638 PolarHBondContact N-OG1 2.9Å; K499-F640 HydrophobicContact CB-CZ 4.39Å |
| 500 | V | 87.6 | Confident | 89.8 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 118.5 | 165.3 | 179.9 | 0 | 0 | 0 | 0 | 109.2 | N545 | V500-N545 WeakPolarHBondContact CA-OD1 3.47Å; V500-N545 WeakPolarHBondContact CB-OD1 3.42Å; V500-N545 VanDerWaalsContact CG1-OD1 3.3Å; V500-N545 WeakPolarHBondContact CG1-OD1 3.3Å; V500-N545 WeakPolarHBondContact CG2-OD1 3.43Å |
| 501 | L | 88.4 | Confident | 89.8 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 137.5 | -178.1 | -57.9 | -176.3 | 0 | 0 | 0 | 110.1 | K499 E505 L506 L509 N545 Y635 L636 F640 | K499-L501 HydrophobicContact CB-CD2 4.45Å; K499-L501 HydrophobicContact CG-CD2 3.96Å; L501-E505 WeakPolarHBondContact CA-OE2 3.34Å; L501-E505 HydrophobicContact CB-CB 3.95Å; L501-E505 HydrophobicContact CD2-CB 4.1Å; L501-E505 HydrophobicContact CG-CB 4.45Å; L501-L506 HydrophobicContact CB-CB 4.48Å; L501-L509 HydrophobicContact CD1-CB 4.35Å; L501-L509 HydrophobicContact CD1-CD2 3.66Å; L501-N545 PolarHBondContact N-ND2 3.43Å; L501-Y635 HydrophobicContact CD1-CD1 4.42Å; L501-Y635 HydrophobicContact CD2-CD1 4.14Å; L501-Y635 HydrophobicContact CD2-CE1 4.31Å; L501-L636 HydrophobicContact CD2-CD1 4Å; L501-F640 HydrophobicContact CD1-CD1 4.4Å; L501-F640 HydrophobicContact CD1-CD2 4.44Å; L501-F640 HydrophobicContact CD1-CE1 3.92Å; L501-F640 HydrophobicContact CD1-CE2 3.95Å; L501-F640 HydrophobicContact CD1-CZ 3.68Å; L501-F640 HydrophobicContact CD2-CE2 3.99Å; L501-F640 HydrophobicContact CD2-CZ 3.72Å; L501-F640 HydrophobicContact CG-CE1 4.07Å; L501-F640 HydrophobicContact CG-CE2 4.21Å; L501-F640 HydrophobicContact CG-CZ 3.62Å |
| 502 | D | 88.4 | Confident | 89.8 | Confident | 88 Ų | 88 | 46.7 Ų | 46.7 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | trans | -74.4 | 176.9 | 163.4 | 76.2 | 29 | 0 | 0 | 0 | 111.6 | K504 E505 L506 | D502-K504 VanDerWaalsContact C-N 3.33Å; D502-K504 PolarHBondContact O-N 3.26Å; D502-K504 WeakPolarHBondContact OD1-CA 3.03Å; D502-K504 WeakPolarHBondContact OD1-CB 3.24Å; D502-K504 PolarHBondContact OD1-N 3.03Å; D502-E505 PolarHBondContact N-OE2 2.89Å; D502-E505 PolarHBondContact O-N 3.27Å; D502-E505 WeakPolarHBondContact OD1-CB 3.27Å; D502-E505 WeakPolarHBondContact OD1-CG 3.45Å; D502-E505 PolarHBondContact OD1-N 3.34Å; D502-L506 VanDerWaalsContact O-CB 3.31Å; D502-L506 WeakPolarHBondContact O-CB 3.17Å; D502-L506 PolarHBondContact O-N 3.48Å | ||
| 503 | Q | 86.2 | Confident | 89.8 | Confident | 120 Ų | 120 | 45.6 Ų | 45.6 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.7 | -36.4 | -178.2 | -171.1 | 62.3 | 55.5 | 0 | 0 | 112.9 | L506 D507 | Q503-L506 PolarHBondContact O-N 2.88Å; Q503-D507 PolarHBondContact NE2-OD1 2.9Å; Q503-D507 VanDerWaalsContact O-CB 3.31Å; Q503-D507 WeakPolarHBondContact O-CB 3.35Å; Q503-D507 PolarHBondContact O-N 3.36Å |
| 504 | K | 87.7 | Confident | 90.1 | Very high | 85 Ų | 85 | 41.1 Ų | 41.1 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71 | -40.3 | -179.1 | -176.1 | 177.6 | -178.8 | 175.4 | 0 | 110.6 | D502 T508 Y614 D615 N617 | D502-K504 VanDerWaalsContact C-N 3.33Å; D502-K504 PolarHBondContact O-N 3.26Å; D502-K504 WeakPolarHBondContact OD1-CA 3.03Å; D502-K504 WeakPolarHBondContact OD1-CB 3.24Å; D502-K504 PolarHBondContact OD1-N 3.03Å; K504-T508 WeakPolarHBondContact O-CB 3.35Å; K504-T508 PolarHBondContact O-N 3.33Å; K504-T508 PolarHBondContact O-OG1 3.2Å; K504-Y614 HydrophobicContact CG-CE1 4.43Å; K504-D615 IonicContact NZ-OD2 3.3Å; K504-N617 PolarHBondContact NZ-ND2 3.39Å |
| 505 | E | 90.2 | Very high | 90.5 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 175 | -71.8 | 174 | 159.8 | 0 | 0 | 111.5 | L501 D502 T508 L509 Y635 L636 | L501-E505 WeakPolarHBondContact CA-OE2 3.34Å; L501-E505 HydrophobicContact CB-CB 3.95Å; L501-E505 HydrophobicContact CD2-CB 4.1Å; L501-E505 HydrophobicContact CG-CB 4.45Å; D502-E505 PolarHBondContact N-OE2 2.89Å; D502-E505 PolarHBondContact O-N 3.27Å; D502-E505 WeakPolarHBondContact OD1-CB 3.27Å; D502-E505 WeakPolarHBondContact OD1-CG 3.45Å; D502-E505 PolarHBondContact OD1-N 3.34Å; E505-T508 WeakPolarHBondContact O-CB 3.35Å; E505-T508 PolarHBondContact O-N 3.04Å; E505-L509 WeakPolarHBondContact O-CB 3.13Å; E505-L509 PolarHBondContact O-N 2.63Å; E505-Y635 HydrophobicContact CB-CE1 3.93Å; E505-Y635 HydrophobicContact CG-CE1 4.28Å; E505-L636 HydrophobicContact CG-CD1 4.21Å; E505-L636 VanDerWaalsContact OE1-CD1 3.28Å; E505-L636 WeakPolarHBondContact OE1-CD1 3.44Å |
| 506 | L | 89.7 | Confident | 90.9 | Very high | 35 Ų | 35 | 33.8 Ų | 33.8 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.2 | -178.8 | 62.2 | 0 | 0 | 0 | 111.5 | L501 D502 Q503 T508 L509 I510 L539 I554 | L501-L506 HydrophobicContact CB-CB 4.48Å; D502-L506 VanDerWaalsContact O-CB 3.31Å; D502-L506 WeakPolarHBondContact O-CB 3.17Å; D502-L506 PolarHBondContact O-N 3.48Å; Q503-L506 PolarHBondContact O-N 2.88Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 3.02Å; L506-L509 WeakPolarHBondContact O-CB 3.44Å; L506-L509 PolarHBondContact O-N 2.84Å; L506-L509 VanDerWaalsContact O-N 3.17Å; L506-I510 HydrophobicContact CD1-CD1 4.37Å; L506-I510 HydrophobicContact CD1-CG1 3.95Å; L506-I510 HydrophobicContact CG-CG1 4.27Å; L506-I510 WeakPolarHBondContact O-CB 3.08Å; L506-I510 VanDerWaalsContact O-CG1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.1Å; L506-I510 PolarHBondContact O-N 2.99Å; L506-L539 HydrophobicContact CD1-CD1 3.88Å; L506-L539 HydrophobicContact CD1-CG 4.24Å; L506-I554 HydrophobicContact CD2-CD1 4.36Å |
| 507 | D | 90.3 | Very high | 91 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 176.9 | -78.6 | 6.7 | 0 | 0 | 0 | 111.5 | Q503 S511 M569 S595 V597 | Q503-D507 PolarHBondContact NE2-OD1 2.9Å; Q503-D507 VanDerWaalsContact O-CB 3.31Å; Q503-D507 WeakPolarHBondContact O-CB 3.35Å; Q503-D507 PolarHBondContact O-N 3.36Å; D507-S511 WeakPolarHBondContact O-CB 3.42Å; D507-S511 PolarHBondContact O-N 2.84Å; D507-S511 PolarHBondContact O-OG 2.73Å; D507-M569 HydrophobicContact CB-CE 3.57Å; D507-M569 WeakPolarHBondContact O-CE 3.42Å; D507-S595 WeakPolarHBondContact OD2-CB 3.47Å; D507-S595 PolarHBondContact OD2-OG 3.05Å; D507-V597 HydrophobicContact CB-CG2 4.25Å |
| 508 | T | 91 | Very high | 91.3 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 174.4 | -58 | 0 | 0 | 0 | 0 | 111 | K504 E505 L506 I510 S511 V512 V619 | K504-T508 WeakPolarHBondContact O-CB 3.35Å; K504-T508 PolarHBondContact O-N 3.33Å; K504-T508 PolarHBondContact O-OG1 3.2Å; E505-T508 WeakPolarHBondContact O-CB 3.35Å; E505-T508 PolarHBondContact O-N 3.04Å; L506-T508 VanDerWaalsContact C-N 3.27Å; L506-T508 PolarHBondContact O-N 3.02Å; T508-I510 PolarHBondContact O-N 2.88Å; T508-S511 PolarHBondContact O-N 3.45Å; T508-S511 PolarHBondContact O-OG 3.29Å; T508-V512 WeakPolarHBondContact O-CB 3.48Å; T508-V512 VanDerWaalsContact O-CG2 3.27Å; T508-V512 WeakPolarHBondContact O-CG2 3.32Å; T508-V512 PolarHBondContact O-N 3.03Å; T508-V619 HydrophobicContact CG2-CG2 4.05Å |
| 509 | L | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -48.2 | 179.1 | 174.5 | 69.8 | 0 | 0 | 0 | 111.8 | L501 E505 L506 S513 L539 L633 Y635 F640 V642 | L501-L509 HydrophobicContact CD1-CB 4.35Å; L501-L509 HydrophobicContact CD1-CD2 3.66Å; E505-L509 WeakPolarHBondContact O-CB 3.13Å; E505-L509 PolarHBondContact O-N 2.63Å; L506-L509 WeakPolarHBondContact O-CB 3.44Å; L506-L509 PolarHBondContact O-N 2.84Å; L506-L509 VanDerWaalsContact O-N 3.17Å; L509-S513 VanDerWaalsContact O-CB 3.28Å; L509-S513 WeakPolarHBondContact O-CB 3.44Å; L509-S513 PolarHBondContact O-N 2.92Å; L509-S513 PolarHBondContact O-OG 2.78Å; L509-L539 HydrophobicContact CD2-CD2 3.78Å; L509-L633 HydrophobicContact CD1-CB 3.88Å; L509-L633 HydrophobicContact CD1-CD1 4.15Å; L509-Y635 HydrophobicContact CB-CD1 4.37Å; L509-F640 HydrophobicContact CD1-CB 3.97Å; L509-F640 HydrophobicContact CD1-CD2 4.23Å; L509-F640 HydrophobicContact CD1-CG 4.37Å; L509-F640 HydrophobicContact CD2-CB 3.56Å; L509-F640 HydrophobicContact CD2-CD1 4.04Å; L509-F640 HydrophobicContact CD2-CD2 3.95Å; L509-F640 HydrophobicContact CD2-CG 3.58Å; L509-F640 HydrophobicContact CG-CB 4.38Å; L509-V642 HydrophobicContact CD1-CG2 4.33Å; L509-V642 HydrophobicContact CD2-CG2 4.21Å; L509-V642 HydrophobicContact CG-CG2 4.08Å |
| 510 | I | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.1 | -44.7 | -176.9 | -64.5 | -64.8 | 0 | 0 | 0 | 110.8 | L506 T508 S513 A514 A537 L539 I554 C556 M569 V642 | L506-I510 HydrophobicContact CD1-CD1 4.37Å; L506-I510 HydrophobicContact CD1-CG1 3.95Å; L506-I510 HydrophobicContact CG-CG1 4.27Å; L506-I510 WeakPolarHBondContact O-CB 3.08Å; L506-I510 VanDerWaalsContact O-CG1 3.27Å; L506-I510 WeakPolarHBondContact O-CG1 3.1Å; L506-I510 PolarHBondContact O-N 2.99Å; T508-I510 PolarHBondContact O-N 2.88Å; I510-S513 PolarHBondContact O-N 3.19Å; I510-A514 VanDerWaalsContact O-CB 3.3Å; I510-A514 WeakPolarHBondContact O-CB 3.5Å; I510-A514 PolarHBondContact O-N 3.32Å; I510-A537 HydrophobicContact CD1-CB 4.16Å; I510-A537 HydrophobicContact CG2-CB 3.73Å; I510-L539 HydrophobicContact CD1-CD2 4.47Å; I510-I554 HydrophobicContact CD1-CD1 4.43Å; I510-I554 HydrophobicContact CG1-CD1 3.94Å; I510-I554 HydrophobicContact CG2-CG2 4.37Å; I510-C556 VanDerWaalsContact CG2-SG 3.56Å; I510-M569 HydrophobicContact CB-SD 3.94Å; I510-M569 HydrophobicContact CG2-SD 3.64Å; I510-V642 HydrophobicContact CD1-CG1 3.6Å; I510-V642 HydrophobicContact CD1-CG2 4.42Å |
| 511 | S | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.9 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | D507 T508 S515 V597 | D507-S511 WeakPolarHBondContact O-CB 3.42Å; D507-S511 PolarHBondContact O-N 2.84Å; D507-S511 PolarHBondContact O-OG 2.73Å; T508-S511 PolarHBondContact O-N 3.45Å; T508-S511 PolarHBondContact O-OG 3.29Å; S511-S515 WeakPolarHBondContact O-CB 3.14Å; S511-S515 PolarHBondContact O-N 2.86Å; S511-S515 PolarHBondContact O-OG 3.05Å; S511-V597 WeakPolarHBondContact OG-CG1 3.36Å |
| 512 | V | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | T508 A514 S515 I516 V599 L621 L633 | T508-V512 WeakPolarHBondContact O-CB 3.48Å; T508-V512 VanDerWaalsContact O-CG2 3.27Å; T508-V512 WeakPolarHBondContact O-CG2 3.32Å; T508-V512 PolarHBondContact O-N 3.03Å; V512-A514 PolarHBondContact O-N 2.83Å; V512-S515 PolarHBondContact O-N 2.87Å; V512-I516 HydrophobicContact CG1-CD1 3.91Å; V512-I516 HydrophobicContact CG1-CG1 4.5Å; V512-I516 VanDerWaalsContact O-CG1 3.29Å; V512-I516 WeakPolarHBondContact O-CG1 3.41Å; V512-I516 PolarHBondContact O-N 2.9Å; V512-V599 HydrophobicContact CG2-CG1 4.21Å; V512-V599 HydrophobicContact CG2-CG2 4.33Å; V512-L621 HydrophobicContact CB-CD2 4.45Å; V512-L621 HydrophobicContact CG1-CD2 4.32Å; V512-L621 HydrophobicContact CG2-CD1 4.48Å; V512-L633 HydrophobicContact CB-CD1 4.22Å; V512-L633 HydrophobicContact CG1-CD1 3.78Å |
| 513 | S | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | L509 I510 S515 I516 F517 L633 V642 I644 | L509-S513 VanDerWaalsContact O-CB 3.28Å; L509-S513 WeakPolarHBondContact O-CB 3.44Å; L509-S513 PolarHBondContact O-N 2.92Å; L509-S513 PolarHBondContact O-OG 2.78Å; I510-S513 PolarHBondContact O-N 3.19Å; S513-S515 VanDerWaalsContact C-N 3.34Å; S513-S515 PolarHBondContact O-N 3.13Å; S513-I516 PolarHBondContact O-N 2.84Å; S513-F517 PolarHBondContact O-N 3.21Å; S513-L633 VanDerWaalsContact OG-CD1 3.25Å; S513-L633 WeakPolarHBondContact OG-CD1 3.42Å; S513-V642 WeakPolarHBondContact OG-CG2 3.36Å; S513-I644 VanDerWaalsContact O-CD1 3.29Å; S513-I644 WeakPolarHBondContact O-CD1 3.29Å |
| 514 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I510 V512 F517 A518 L535 C556 V558 V567 | I510-A514 VanDerWaalsContact O-CB 3.3Å; I510-A514 WeakPolarHBondContact O-CB 3.5Å; I510-A514 PolarHBondContact O-N 3.32Å; V512-A514 PolarHBondContact O-N 2.83Å; A514-F517 PolarHBondContact O-N 3.24Å; A514-A518 WeakPolarHBondContact O-CB 3.33Å; A514-A518 PolarHBondContact O-N 3.46Å; A514-L535 HydrophobicContact CB-CD1 4.42Å; A514-C556 HydrophobicContact CB-CB 4.22Å; A514-V558 HydrophobicContact CB-CG2 3.8Å; A514-V567 HydrophobicContact CB-CG1 4.39Å |
| 515 | S | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112 | S511 V512 S513 A518 K519 F565 V567 | S511-S515 WeakPolarHBondContact O-CB 3.14Å; S511-S515 PolarHBondContact O-N 2.86Å; S511-S515 PolarHBondContact O-OG 3.05Å; V512-S515 PolarHBondContact O-N 2.87Å; S513-S515 VanDerWaalsContact C-N 3.34Å; S513-S515 PolarHBondContact O-N 3.13Å; S515-A518 PolarHBondContact O-N 3.3Å; S515-K519 VanDerWaalsContact O-CB 3.25Å; S515-K519 WeakPolarHBondContact O-CB 3.32Å; S515-K519 PolarHBondContact O-N 2.94Å; S515-F565 WeakPolarHBondContact OG-CB 3.37Å; S515-V567 WeakPolarHBondContact OG-CG2 3.39Å |
| 516 | I | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -44.8 | 173.7 | -69.5 | 164.6 | 0 | 0 | 0 | 110.7 | V512 S513 K519 N520 F603 L605 I610 L623 V631 L633 | V512-I516 HydrophobicContact CG1-CD1 3.91Å; V512-I516 HydrophobicContact CG1-CG1 4.5Å; V512-I516 VanDerWaalsContact O-CG1 3.29Å; V512-I516 WeakPolarHBondContact O-CG1 3.41Å; V512-I516 PolarHBondContact O-N 2.9Å; S513-I516 PolarHBondContact O-N 2.84Å; I516-K519 PolarHBondContact O-N 3.04Å; I516-N520 WeakPolarHBondContact O-CB 3.39Å; I516-N520 PolarHBondContact O-N 2.94Å; I516-F603 HydrophobicContact CG1-CE2 3.64Å; I516-F603 HydrophobicContact CG1-CZ 3.71Å; I516-L605 HydrophobicContact CG2-CD2 3.99Å; I516-I610 HydrophobicContact CD1-CD1 3.53Å; I516-I610 HydrophobicContact CG1-CD1 4.22Å; I516-L623 HydrophobicContact CD1-CD1 4.38Å; I516-V631 HydrophobicContact CB-CG1 4.26Å; I516-V631 HydrophobicContact CD1-CG1 4.05Å; I516-V631 HydrophobicContact CG2-CG1 3.94Å; I516-V631 HydrophobicContact CG2-CG2 4.12Å; I516-L633 HydrophobicContact CD1-CD1 4.07Å; I516-L633 HydrophobicContact CD1-CD2 3.72Å; I516-L633 HydrophobicContact CD1-CG 4.39Å |
| 517 | F | 94.4 | Very high | 90.2 | Very high | 32 Ų | 32 | 36 Ų | 36 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -53 | 176.2 | -178.1 | -81.8 | 0 | 0 | 0 | 111 | S513 A514 K519 N520 D521 L535 I628 V631 I644 | S513-F517 PolarHBondContact O-N 3.21Å; A514-F517 PolarHBondContact O-N 3.24Å; F517-K519 VanDerWaalsContact C-N 3.34Å; F517-K519 PolarHBondContact O-N 3.07Å; F517-N520 PolarHBondContact O-N 3.37Å; F517-N520 VanDerWaalsContact O-N 3.14Å; F517-D521 PolarHBondContact O-N 3.09Å; F517-L535 HydrophobicContact CD1-CD1 3.73Å; F517-L535 HydrophobicContact CD1-CD2 3.97Å; F517-L535 HydrophobicContact CE1-CD1 4.31Å; F517-L535 HydrophobicContact CE1-CD2 3.67Å; F517-L535 HydrophobicContact CG-CD1 4.45Å; F517-I628 VanDerWaalsContact CE2-O 3.3Å; F517-I628 WeakPolarHBondContact CE2-O 3.46Å; F517-V631 HydrophobicContact CB-CG2 4.43Å; F517-I644 HydrophobicContact CB-CB 4.45Å; F517-I644 HydrophobicContact CB-CD1 4.13Å; F517-I644 HydrophobicContact CB-CG2 3.94Å; F517-I644 HydrophobicContact CD1-CG2 4.02Å; F517-I644 HydrophobicContact CD2-CB 3.87Å; F517-I644 HydrophobicContact CD2-CG2 3.69Å; F517-I644 HydrophobicContact CE1-CG2 4.49Å; F517-I644 HydrophobicContact CE2-CB 4.39Å; F517-I644 HydrophobicContact CE2-CG2 4.16Å; F517-I644 WeakPolarHBondContact CE2-O 3.3Å; F517-I644 HydrophobicContact CG-CB 4.22Å; F517-I644 HydrophobicContact CG-CG2 3.6Å |
| 518 | A | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A514 S515 N520 D521 A522 W533 V558 F565 | A514-A518 WeakPolarHBondContact O-CB 3.33Å; A514-A518 PolarHBondContact O-N 3.46Å; S515-A518 PolarHBondContact O-N 3.3Å; A518-N520 VanDerWaalsContact C-N 3.34Å; A518-N520 PolarHBondContact O-N 3.01Å; A518-D521 PolarHBondContact O-N 3.33Å; A518-A522 WeakPolarHBondContact O-CB 3.43Å; A518-A522 PolarHBondContact O-N 3.08Å; A518-W533 HydrophobicContact CB-CD2 3.61Å; A518-W533 HydrophobicContact CB-CE3 3.63Å; A518-W533 HydrophobicContact CB-CG 4.12Å; A518-W533 HydrophobicContact CB-CH2 4.28Å; A518-W533 HydrophobicContact CB-CZ2 4.28Å; A518-W533 HydrophobicContact CB-CZ3 3.98Å; A518-W533 WeakPolarHBondContact O-CZ2 3.48Å; A518-V558 HydrophobicContact CB-CB 4.44Å; A518-V558 HydrophobicContact CB-CG1 3.85Å; A518-F565 HydrophobicContact CB-CE1 4.21Å |
| 519 | K | 91.3 | Very high | 88 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.8 | -170.5 | 166.8 | -176.4 | 158.1 | 0 | 112.2 | S515 I516 F517 R523 F565 D601 F603 L605 | S515-K519 VanDerWaalsContact O-CB 3.25Å; S515-K519 WeakPolarHBondContact O-CB 3.32Å; S515-K519 PolarHBondContact O-N 2.94Å; I516-K519 PolarHBondContact O-N 3.04Å; F517-K519 VanDerWaalsContact C-N 3.34Å; F517-K519 PolarHBondContact O-N 3.07Å; K519-R523 WeakPolarHBondContact O-CB 3.36Å; K519-R523 PolarHBondContact O-N 3.11Å; K519-R523 VanDerWaalsContact O-N 3.14Å; K519-F565 HydrophobicContact CB-CE1 4.42Å; K519-F565 HydrophobicContact CB-CZ 3.74Å; K519-F565 HydrophobicContact CD-CE2 4.49Å; K519-F565 HydrophobicContact CD-CZ 4.26Å; K519-F565 HydrophobicContact CG-CZ 4.23Å; K519-D601 WeakPolarHBondContact CD-OD1 3.31Å; K519-D601 WeakPolarHBondContact CE-OD1 3.33Å; K519-D601 IonicContact NZ-OD1 2.89Å; K519-D601 PolarHBondContact NZ-OD1 2.83Å; K519-D601 IonicContact NZ-OD2 2.73Å; K519-F603 HydrophobicContact CD-CE2 4.23Å; K519-F603 HydrophobicContact CD-CZ 4.48Å; K519-F603 PolarHBondContact NZ-O 3.45Å; K519-L605 HydrophobicContact CB-CD2 4.21Å; K519-L605 HydrophobicContact CD-CD2 4.28Å; K519-L605 HydrophobicContact CD-CG 4.28Å; K519-L605 HydrophobicContact CG-CD1 4.22Å; K519-L605 HydrophobicContact CG-CD2 4.19Å; K519-L605 HydrophobicContact CG-CG 4.16Å |
| 520 | N | 91.6 | Very high | 87 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 178 | -173.8 | 62.6 | 0 | 0 | 0 | 111.8 | I516 F517 A518 R523 I524 L605 K626 | I516-N520 WeakPolarHBondContact O-CB 3.39Å; I516-N520 PolarHBondContact O-N 2.94Å; F517-N520 PolarHBondContact O-N 3.37Å; F517-N520 VanDerWaalsContact O-N 3.14Å; A518-N520 VanDerWaalsContact C-N 3.34Å; A518-N520 PolarHBondContact O-N 3.01Å; N520-R523 PolarHBondContact O-N 3.48Å; N520-R523 PolarHBondContact OD1-NH2 3.16Å; N520-I524 WeakPolarHBondContact O-CD1 3.4Å; N520-I524 VanDerWaalsContact O-CG1 3.27Å; N520-I524 WeakPolarHBondContact O-CG1 3.43Å; N520-I524 PolarHBondContact O-N 3.16Å; N520-L605 HydrophobicContact CB-CD1 3.87Å; N520-L605 HydrophobicContact CB-CD2 4.44Å; N520-K626 PolarHBondContact OD1-NZ 2.79Å |
| 521 | D | 90 | Very high | 86.6 | Confident | 25 Ų | 25 | 52.4 Ų | 52.4 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 175.6 | 179 | 79.3 | 0 | 0 | 0 | 112 | F517 A518 R523 I524 R525 W533 | F517-D521 PolarHBondContact O-N 3.09Å; A518-D521 PolarHBondContact O-N 3.33Å; D521-R523 VanDerWaalsContact C-N 3.27Å; D521-R523 PolarHBondContact O-N 3.05Å; D521-I524 PolarHBondContact O-N 3.41Å; D521-R525 VanDerWaalsContact CG-NH2 3.33Å; D521-R525 WeakPolarHBondContact O-CG 3.48Å; D521-R525 PolarHBondContact O-N 3.13Å; D521-R525 IonicContact OD1-CZ 3.88Å; D521-R525 VanDerWaalsContact OD1-CZ 3.3Å; D521-R525 IonicContact OD1-NE 3.25Å; D521-R525 PolarHBondContact OD1-NE 2.81Å; D521-R525 IonicContact OD1-NH2 2.77Å; D521-R525 PolarHBondContact OD1-NH2 2.82Å; D521-R525 WeakPolarHBondContact OD2-CD 3.47Å; D521-R525 IonicContact OD2-CZ 3.67Å; D521-R525 IonicContact OD2-NE 3.31Å; D521-R525 PolarHBondContact OD2-NE 3.05Å; D521-R525 IonicContact OD2-NH1 3.34Å; D521-R525 IonicContact OD2-NH2 3.42Å; D521-R525 PolarHBondContact OD2-NH2 2.81Å; D521-W533 PolarHBondContact OD2-NE1 2.96Å |
| 522 | A | 88.8 | Confident | 86.5 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.4 | -42.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A518 R525 N526 C527 W533 | A518-A522 WeakPolarHBondContact O-CB 3.43Å; A518-A522 PolarHBondContact O-N 3.08Å; A522-R525 PolarHBondContact O-N 3.03Å; A522-N526 PolarHBondContact O-N 2.85Å; A522-C527 PolarHBondContact O-N 2.77Å; A522-W533 HydrophobicContact CB-CH2 4.04Å; A522-W533 HydrophobicContact CB-CZ2 3.77Å |
| 523 | R | 87.7 | Confident | 86.4 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 56% | 0.555 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 176.5 | -175.7 | -173 | 64.3 | 79.6 | 4.9 | 112 | K519 N520 D521 N526 | K519-R523 WeakPolarHBondContact O-CB 3.36Å; K519-R523 PolarHBondContact O-N 3.11Å; K519-R523 VanDerWaalsContact O-N 3.14Å; N520-R523 PolarHBondContact O-N 3.48Å; N520-R523 PolarHBondContact OD1-NH2 3.16Å; D521-R523 VanDerWaalsContact C-N 3.27Å; D521-R523 PolarHBondContact O-N 3.05Å; R523-N526 PolarHBondContact O-N 2.82Å |
| 524 | I | 86.9 | Confident | 86.4 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.9 | -42 | 178.1 | -69.7 | 162.7 | 0 | 0 | 0 | 110.7 | N520 D521 N526 | N520-I524 WeakPolarHBondContact O-CD1 3.4Å; N520-I524 VanDerWaalsContact O-CG1 3.27Å; N520-I524 WeakPolarHBondContact O-CG1 3.43Å; N520-I524 PolarHBondContact O-N 3.16Å; D521-I524 PolarHBondContact O-N 3.41Å; I524-N526 PolarHBondContact O-N 3.04Å |
| 525 | R | 85.2 | Confident | 86.4 | Confident | 156 Ų | 156 | 62 Ų | 62 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -78.7 | -6.1 | 179.3 | -62 | -178 | -167 | -171.6 | 10.6 | 113.8 | D521 A522 C527 | D521-R525 VanDerWaalsContact CG-NH2 3.33Å; D521-R525 WeakPolarHBondContact O-CG 3.48Å; D521-R525 PolarHBondContact O-N 3.13Å; D521-R525 IonicContact OD1-CZ 3.88Å; D521-R525 VanDerWaalsContact OD1-CZ 3.3Å; D521-R525 IonicContact OD1-NE 3.25Å; D521-R525 PolarHBondContact OD1-NE 2.81Å; D521-R525 IonicContact OD1-NH2 2.77Å; D521-R525 PolarHBondContact OD1-NH2 2.82Å; D521-R525 WeakPolarHBondContact OD2-CD 3.47Å; D521-R525 IonicContact OD2-CZ 3.67Å; D521-R525 IonicContact OD2-NE 3.31Å; D521-R525 PolarHBondContact OD2-NE 3.05Å; D521-R525 IonicContact OD2-NH1 3.34Å; D521-R525 IonicContact OD2-NH2 3.42Å; D521-R525 PolarHBondContact OD2-NH2 2.81Å; A522-R525 PolarHBondContact O-N 3.03Å; R525-C527 WeakPolarHBondContact CB-SG 3.28Å; R525-C527 PolarHBondContact O-N 3.14Å |
| 526 | N | 81.6 | Confident | 86.4 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 79% | 0.786 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 36.2 | -174.2 | -151.9 | 22.2 | 0 | 0 | 0 | 112.6 | A522 R523 I524 S528 | A522-N526 PolarHBondContact O-N 2.85Å; R523-N526 PolarHBondContact O-N 2.82Å; I524-N526 PolarHBondContact O-N 3.04Å; N526-S528 PolarHBondContact O-N 3.44Å |
| 527 | C | 71.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | trans | -80.5 | 117.7 | -179.5 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | A522 R525 | A522-C527 PolarHBondContact O-N 2.77Å; R525-C527 WeakPolarHBondContact CB-SG 3.28Å; R525-C527 PolarHBondContact O-N 3.14Å | ||
| 528 | S | 66 | Low | 86 | Confident | 122 Ų | 122 | 60.8 Ų | 60.8 | 85% | 0.853 | 32% | 0.317 | S | S | * | . | trans | -103.7 | 106.6 | 168.4 | 58.8 | 0 | 0 | 0 | 0 | 109.3 | N526 | N526-S528 PolarHBondContact O-N 3.44Š| ||
| 529 | G | 68.6 | Low | 85.6 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 147.9 | -176.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S531 | G529-S531 PolarHBondContact O-N 3.1Š|
| 530 | E | 72.4 | Confident | 84.6 | Confident | 162 Ų | 162 | 61.8 Ų | 61.8 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | trans | -60.9 | 134.9 | 170.3 | -69.8 | -178.6 | -178.6 | 0 | 0 | 109.8 | R560 | E530-R560 WeakPolarHBondContact CA-O 3.47Š| ||
| 531 | S | 84.1 | Confident | 83.2 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.2 | -178.5 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | G529 W533 R560 | G529-S531 PolarHBondContact O-N 3.1Å; S531-W533 WeakPolarHBondContact O-CZ3 3.31Å; S531-R560 PolarHBondContact O-N 3.28Å |
| 532 | Q | 91 | Very high | 81.7 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.6 | 177.7 | -176.2 | 171.1 | 75.2 | 0 | 0 | 109.9 | I557 V558 T559 | Q532-I557 HydrophobicContact CG-CG2 4Å; Q532-V558 CarbonylContact C-O 3.52Å; Q532-V558 VanDerWaalsContact CA-O 3.25Å; Q532-V558 WeakPolarHBondContact CA-O 3.44Å; Q532-T559 PolarHBondContact NE2-OG1 3.34Å |
| 533 | W | 93.2 | Very high | 80.2 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.3 | 173.2 | -62.4 | -99.3 | 0 | 0 | 0 | 109.5 | A518 D521 A522 S531 L535 I557 V558 R560 | A518-W533 HydrophobicContact CB-CD2 3.61Å; A518-W533 HydrophobicContact CB-CE3 3.63Å; A518-W533 HydrophobicContact CB-CG 4.12Å; A518-W533 HydrophobicContact CB-CH2 4.28Å; A518-W533 HydrophobicContact CB-CZ2 4.28Å; A518-W533 HydrophobicContact CB-CZ3 3.98Å; A518-W533 WeakPolarHBondContact O-CZ2 3.48Å; D521-W533 PolarHBondContact OD2-NE1 2.96Å; A522-W533 HydrophobicContact CB-CH2 4.04Å; A522-W533 HydrophobicContact CB-CZ2 3.77Å; S531-W533 WeakPolarHBondContact O-CZ3 3.31Å; W533-L535 HydrophobicContact CB-CD1 4.03Å; W533-L535 HydrophobicContact CB-CD2 4.01Å; W533-L535 HydrophobicContact CB-CG 3.81Å; W533-I557 WeakPolarHBondContact O-CA 3.5Å; W533-V558 HydrophobicContact CB-CB 4.3Å; W533-V558 HydrophobicContact CE3-CB 4.34Å; W533-V558 HydrophobicContact CE3-CG1 4.25Å; W533-V558 PolarHBondContact N-O 2.98Å; W533-V558 PolarHBondContact O-N 2.76Å; W533-R560 HydrophobicContact CH2-CB 4.28Å; W533-R560 HydrophobicContact CZ3-CB 3.78Å |
| 534 | D | 94.5 | Very high | 78.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 103 | 170 | -171.1 | 14.7 | 0 | 0 | 0 | 108.4 | R555 N646 T647 | D534-R555 VanDerWaalsContact CG-NH2 3.26Å; D534-R555 IonicContact OD1-CZ 3.79Å; D534-R555 IonicContact OD1-NE 2.93Å; D534-R555 PolarHBondContact OD1-NE 2.85Å; D534-R555 IonicContact OD1-NH2 2.86Å; D534-R555 PolarHBondContact OD1-NH2 2.82Å; D534-R555 IonicContact OD2-CZ 3.58Å; D534-R555 IonicContact OD2-NE 3.59Å; D534-R555 IonicContact OD2-NH2 2.74Å; D534-R555 PolarHBondContact OD2-NH2 2.83Å; D534-N646 WeakPolarHBondContact O-CA 3.13Å; D534-T647 HydrophobicContact CB-CG2 4.33Å; D534-T647 PolarHBondContact O-N 2.98Å; D534-T647 VanDerWaalsContact OD1-CG2 3.24Å; D534-T647 WeakPolarHBondContact OD1-CG2 3.17Å; D534-T647 WeakPolarHBondContact OD2-CG2 3.27Å; D534-T647 PolarHBondContact OD2-OG1 2.88Å |
| 535 | L | 95.4 | Very high | 77.2 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 161.5 | -169.9 | -53.5 | 175.8 | 0 | 0 | 0 | 110.8 | A514 F517 W533 R555 C556 V558 I644 M645 | A514-L535 HydrophobicContact CB-CD1 4.42Å; F517-L535 HydrophobicContact CD1-CD1 3.73Å; F517-L535 HydrophobicContact CD1-CD2 3.97Å; F517-L535 HydrophobicContact CE1-CD1 4.31Å; F517-L535 HydrophobicContact CE1-CD2 3.67Å; F517-L535 HydrophobicContact CG-CD1 4.45Å; W533-L535 HydrophobicContact CB-CD1 4.03Å; W533-L535 HydrophobicContact CB-CD2 4.01Å; W533-L535 HydrophobicContact CB-CG 3.81Å; L535-R555 CarbonylContact O-C 3.59Å; L535-R555 WeakPolarHBondContact O-CA 3.38Å; L535-C556 HydrophobicContact CB-CB 4.27Å; L535-C556 PolarHBondContact N-O 3.28Å; L535-C556 PolarHBondContact O-N 3.32Å; L535-V558 HydrophobicContact CD1-CG2 3.98Å; L535-I644 HydrophobicContact CB-CG2 4.2Å; L535-I644 HydrophobicContact CD1-CG2 3.91Å; L535-I644 HydrophobicContact CG-CG2 4.45Å; L535-M645 CarbonylContact C-O 3.58Å; L535-M645 VanDerWaalsContact CA-O 3.23Å; L535-M645 WeakPolarHBondContact CA-O 3.45Å |
| 536 | V | 93 | Very high | 75.7 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.4 | 165.1 | -179.6 | 0 | 0 | 0 | 0 | 107.5 | Y553 I554 W572 I644 M645 T647 A650 | V536-Y553 HydrophobicContact CG1-CD1 3.93Å; V536-Y553 HydrophobicContact CG1-CG 4.35Å; V536-I554 CarbonylContact C-O 3.57Å; V536-I554 WeakPolarHBondContact CA-O 3.21Å; V536-W572 HydrophobicContact CG1-CB 4.46Å; V536-W572 HydrophobicContact CG1-CD2 3.99Å; V536-W572 HydrophobicContact CG1-CE3 3.83Å; V536-W572 HydrophobicContact CG1-CG 4.3Å; V536-W572 HydrophobicContact CG1-CZ3 4.34Å; V536-W572 HydrophobicContact CG2-CD2 3.9Å; V536-W572 HydrophobicContact CG2-CE3 4.46Å; V536-W572 HydrophobicContact CG2-CG 4.01Å; V536-W572 HydrophobicContact CG2-CZ2 4.43Å; V536-I644 WeakPolarHBondContact O-CA 3.28Å; V536-M645 PolarHBondContact N-O 2.81Å; V536-M645 PolarHBondContact O-N 3.09Å; V536-M645 VanDerWaalsContact O-N 3.08Å; V536-T647 HydrophobicContact CG2-CG2 3.76Å; V536-A650 HydrophobicContact CB-CB 3.63Å; V536-A650 HydrophobicContact CG1-CB 4.07Å; V536-A650 HydrophobicContact CG2-CB 3.7Å |
| 537 | A | 93 | Very high | 74.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I510 I554 V642 E643 I644 | I510-A537 HydrophobicContact CD1-CB 4.16Å; I510-A537 HydrophobicContact CG2-CB 3.73Å; A537-I554 PolarHBondContact N-O 3.12Å; A537-I554 PolarHBondContact O-N 3.03Å; A537-V642 HydrophobicContact CB-CG1 4.18Å; A537-E643 CarbonylContact C-O 3.59Å; A537-E643 WeakPolarHBondContact CA-O 3.27Å; A537-I644 HydrophobicContact CB-CG1 4.09Å |
| 538 | S | 88.4 | Confident | 73.3 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 147.8 | 171.6 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | E643 | S538-E643 PolarHBondContact N-O 2.73Å; S538-E643 PolarHBondContact O-N 2.84Å |
| 539 | L | 83.1 | Confident | 72.5 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.9 | 168.5 | -63 | -178.2 | 0 | 0 | 0 | 110.1 | L506 L509 I510 N545 F640 V642 | L506-L539 HydrophobicContact CD1-CD1 3.88Å; L506-L539 HydrophobicContact CD1-CG 4.24Å; L509-L539 HydrophobicContact CD2-CD2 3.78Å; I510-L539 HydrophobicContact CD1-CD2 4.47Å; L539-N545 HydrophobicContact CD1-CB 4.31Å; L539-F640 HydrophobicContact CD2-CB 4.45Å; L539-F640 HydrophobicContact CD2-CD1 4.44Å; L539-V642 HydrophobicContact CD2-CG2 4.03Å |
| 540 | N | 70.2 | Confident | 71.7 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | trans | -63.5 | 153.8 | 173.7 | -166.9 | -77.9 | 0 | 0 | 0 | 111.7 | N542 S543 S546 P641 E643 | N540-N542 PolarHBondContact O-N 2.97Å; N540-N542 VanDerWaalsContact O-N 3.13Å; N540-N542 PolarHBondContact OD1-N 2.83Å; N540-S543 VanDerWaalsContact O-CB 3.24Å; N540-S543 WeakPolarHBondContact O-CB 3.47Å; N540-S543 PolarHBondContact O-N 2.8Å; N540-S543 PolarHBondContact O-OG 2.9Å; N540-S546 WeakPolarHBondContact O-CB 3.44Å; N540-S546 PolarHBondContact O-OG 2.89Å; N540-S546 VanDerWaalsContact O-OG 3.14Å; N540-P641 HydrophobicContact CB-CB 4.11Å; N540-P641 HydrophobicContact CB-CG 3.71Å; N540-P641 PolarHBondContact N-O 3.45Å; N540-P641 VanDerWaalsContact N-O 3.12Å; N540-E643 PolarHBondContact ND2-OE1 2.82Å | ||
| 541 | E | 61.7 | Low | 71.3 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 29% | 0.29 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.2 | 176.5 | -74.7 | 170.1 | -166.7 | 0 | 0 | 114.6 | S546 R551 | E541-S546 WeakPolarHBondContact CA-OG 3.31Å; E541-S546 PolarHBondContact O-OG 2.87Å; E541-R551 VanDerWaalsContact CG-NH2 3.28Å; E541-R551 IonicContact OE1-CZ 3.48Å; E541-R551 IonicContact OE1-NE 3Å; E541-R551 PolarHBondContact OE1-NE 3.4Å; E541-R551 IonicContact OE1-NH1 3.55Å; E541-R551 IonicContact OE1-NH2 2.78Å; E541-R551 PolarHBondContact OE1-NH2 3.41Å; E541-R551 IonicContact OE2-NH2 2.79Å |
| 542 | N | 60.1 | Low | 70.8 | Confident | 148 Ų | 148 | 55.7 Ų | 55.7 | 79% | 0.791 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -1.7 | 176.6 | -63.9 | -33.9 | 0 | 0 | 0 | 112.7 | N540 | N540-N542 PolarHBondContact O-N 2.97Å; N540-N542 VanDerWaalsContact O-N 3.13Å; N540-N542 PolarHBondContact OD1-N 2.83Å |
| 543 | S | 56.8 | Low | 70.6 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -75.6 | 147.5 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | N540 N545 S546 P641 | N540-S543 VanDerWaalsContact O-CB 3.24Å; N540-S543 WeakPolarHBondContact O-CB 3.47Å; N540-S543 PolarHBondContact O-N 2.8Å; N540-S543 PolarHBondContact O-OG 2.9Å; S543-N545 PolarHBondContact O-N 2.77Å; S543-S546 PolarHBondContact O-N 3.47Å; S543-S546 VanDerWaalsContact O-N 3.1Å; S543-S546 PolarHBondContact O-OG 2.89Å; S543-P641 VanDerWaalsContact OG-CD 3.32Å; S543-P641 WeakPolarHBondContact OG-CD 3.19Å; S543-P641 WeakPolarHBondContact OG-CG 3.2Å |
| 544 | A | 57.3 | Low | 70.5 | Confident | 18 Ų | 18 | 51.5 Ų | 51.5 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 133.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K497 T638 F640 | K497-A544 VanDerWaalsContact O-CB 3.31Å; K497-A544 WeakPolarHBondContact O-CB 3.21Å; A544-T638 HydrophobicContact CB-CG2 4.08Å; A544-F640 HydrophobicContact CB-CE1 4.11Å |
| 545 | N | 54.2 | Low | 70.4 | Confident | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 1.7 | -175.4 | -45 | -44 | 0 | 0 | 0 | 117.5 | K499 V500 L501 L539 S543 D547 | K499-N545 PolarHBondContact O-ND2 3.2Å; V500-N545 WeakPolarHBondContact CA-OD1 3.47Å; V500-N545 WeakPolarHBondContact CB-OD1 3.42Å; V500-N545 VanDerWaalsContact CG1-OD1 3.3Å; V500-N545 WeakPolarHBondContact CG1-OD1 3.3Å; V500-N545 WeakPolarHBondContact CG2-OD1 3.43Å; L501-N545 PolarHBondContact N-ND2 3.43Å; L539-N545 HydrophobicContact CD1-CB 4.31Å; S543-N545 PolarHBondContact O-N 2.77Å; N545-D547 PolarHBondContact O-N 2.84Å |
| 546 | S | 54.1 | Low | 70.4 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | trans | -80 | 120.2 | 169.7 | 62.4 | 0 | 0 | 0 | 0 | 110 | N540 E541 S543 P548 | N540-S546 WeakPolarHBondContact O-CB 3.44Å; N540-S546 PolarHBondContact O-OG 2.89Å; N540-S546 VanDerWaalsContact O-OG 3.14Å; E541-S546 WeakPolarHBondContact CA-OG 3.31Å; E541-S546 PolarHBondContact O-OG 2.87Å; S543-S546 PolarHBondContact O-N 3.47Å; S543-S546 VanDerWaalsContact O-N 3.1Å; S543-S546 PolarHBondContact O-OG 2.89Å; S546-P548 WeakPolarHBondContact O-CD 3.16Å | ||
| 547 | D | 52.9 | Low | 70.6 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -84.3 | 114.4 | 156.6 | -178.4 | -5.1 | 0 | 0 | 0 | 106.5 | N545 K549 S550 | N545-D547 PolarHBondContact O-N 2.84Å; D547-K549 PolarHBondContact O-N 3.2Å; D547-K549 WeakPolarHBondContact OD1-CB 3.3Å; D547-K549 PolarHBondContact OD1-N 2.63Å; D547-S550 WeakPolarHBondContact CB-OG 3.38Å; D547-S550 CarbonylContact O-C 3.54Å; D547-S550 VanDerWaalsContact O-C 3.26Å; D547-S550 PolarHBondContact O-N 3.37Å; D547-S550 PolarHBondContact OD2-OG 3.29Å |
| 548 | P | 49.3 | Very low | 70.7 | Confident | 85 Ų | 85 | 51.4 Ų | 51.4 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.8 | 176.1 | -21.8 | 31.6 | 0 | 0 | 0 | 112.6 | S546 | S546-P548 WeakPolarHBondContact O-CD 3.16Š|
| 549 | K | 48.4 | Very low | 70.9 | Confident | 198 Ų | 198 | 53.4 Ų | 53.4 | 86% | 0.861 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.5 | 179.7 | -62.2 | -178.7 | -179.8 | 176.3 | 0 | 113.3 | D547 | D547-K549 PolarHBondContact O-N 3.2Å; D547-K549 WeakPolarHBondContact OD1-CB 3.3Å; D547-K549 PolarHBondContact OD1-N 2.63Å |
| 550 | S | 52.6 | Low | 71.2 | Confident | 66 Ų | 66 | 55 Ų | 55 | 46% | 0.462 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 76.2 | 178.1 | 79 | 0 | 0 | 0 | 0 | 111.3 | D547 S552 | D547-S550 WeakPolarHBondContact CB-OG 3.38Å; D547-S550 CarbonylContact O-C 3.54Å; D547-S550 VanDerWaalsContact O-C 3.26Å; D547-S550 PolarHBondContact O-N 3.37Å; D547-S550 PolarHBondContact OD2-OG 3.29Å; S550-S552 PolarHBondContact O-N 3.01Å |
| 551 | R | 63.6 | Low | 71.8 | Confident | 66 Ų | 66 | 56 Ų | 56 | 25% | 0.249 | 30% | 0.297 | C | S | . | . | trans | -63.4 | 109.9 | 165.7 | -79.1 | -176.4 | 174.5 | 158.5 | -3.2 | 109.3 | E541 Y553 | E541-R551 VanDerWaalsContact CG-NH2 3.28Å; E541-R551 IonicContact OE1-CZ 3.48Å; E541-R551 IonicContact OE1-NE 3Å; E541-R551 PolarHBondContact OE1-NE 3.4Å; E541-R551 IonicContact OE1-NH1 3.55Å; E541-R551 IonicContact OE1-NH2 2.78Å; E541-R551 PolarHBondContact OE1-NH2 3.41Å; E541-R551 IonicContact OE2-NH2 2.79Å; R551-Y553 HydrophobicContact CB-CD2 4.42Å; R551-Y553 HydrophobicContact CB-CE2 3.79Å; R551-Y553 WeakPolarHBondContact CD-OH 3.36Å; R551-Y553 WeakPolarHBondContact O-CD2 3.48Å; R551-Y553 PolarHBondContact O-N 3.07Å | ||
| 552 | S | 74.4 | Confident | 72.5 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | trans | -77.4 | 114.9 | 169.4 | -57.5 | 0 | 0 | 0 | 0 | 109.3 | S550 | S550-S552 PolarHBondContact O-N 3.01Š| ||
| 553 | Y | 85.9 | Confident | 73.3 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 137.5 | 174.3 | -64.7 | -83.5 | 0 | 0 | 0 | 110 | V536 R551 W572 | V536-Y553 HydrophobicContact CG1-CD1 3.93Å; V536-Y553 HydrophobicContact CG1-CG 4.35Å; R551-Y553 HydrophobicContact CB-CD2 4.42Å; R551-Y553 HydrophobicContact CB-CE2 3.79Å; R551-Y553 WeakPolarHBondContact CD-OH 3.36Å; R551-Y553 WeakPolarHBondContact O-CD2 3.48Å; R551-Y553 PolarHBondContact O-N 3.07Å; Y553-W572 WeakPolarHBondContact CB-O 3.47Å; Y553-W572 HydrophobicContact CD1-CE3 4.3Å; Y553-W572 HydrophobicContact CD1-CZ3 4.32Å; Y553-W572 HydrophobicContact CD2-CE3 4.26Å; Y553-W572 HydrophobicContact CD2-CZ3 4.36Å; Y553-W572 AromaticContact CG-CE3 3.79Å; Y553-W572 HydrophobicContact CG-CE3 3.79Å; Y553-W572 HydrophobicContact CG-CZ3 4.08Å; Y553-W572 PolarHBondContact O-N 3.26Å |
| 554 | I | 90.8 | Very high | 74.7 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 114.9 | -176.2 | -58.9 | 167.1 | 0 | 0 | 0 | 107.8 | L506 I510 V536 A537 C556 M569 S570 | L506-I554 HydrophobicContact CD2-CD1 4.36Å; I510-I554 HydrophobicContact CD1-CD1 4.43Å; I510-I554 HydrophobicContact CG1-CD1 3.94Å; I510-I554 HydrophobicContact CG2-CG2 4.37Å; V536-I554 CarbonylContact C-O 3.57Å; V536-I554 WeakPolarHBondContact CA-O 3.21Å; A537-I554 PolarHBondContact N-O 3.12Å; A537-I554 PolarHBondContact O-N 3.03Å; I554-C556 PolarHBondContact O-SG 2.84Å; I554-M569 HydrophobicContact CG2-CB 3.76Å; I554-M569 HydrophobicContact CG2-CG 4.02Å; I554-M569 HydrophobicContact CG2-SD 4.42Å; I554-S570 CarbonylContact C-O 3.53Å |
| 555 | R | 93.8 | Very high | 76.3 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.6 | 170.2 | -172.3 | 177 | -178.4 | -153.7 | -0.9 | 108.6 | D534 L535 M569 S570 W572 T647 | D534-R555 VanDerWaalsContact CG-NH2 3.26Å; D534-R555 IonicContact OD1-CZ 3.79Å; D534-R555 IonicContact OD1-NE 2.93Å; D534-R555 PolarHBondContact OD1-NE 2.85Å; D534-R555 IonicContact OD1-NH2 2.86Å; D534-R555 PolarHBondContact OD1-NH2 2.82Å; D534-R555 IonicContact OD2-CZ 3.58Å; D534-R555 IonicContact OD2-NE 3.59Å; D534-R555 IonicContact OD2-NH2 2.74Å; D534-R555 PolarHBondContact OD2-NH2 2.83Å; L535-R555 CarbonylContact O-C 3.59Å; L535-R555 WeakPolarHBondContact O-CA 3.38Å; R555-M569 CarbonylContact O-C 3.48Å; R555-M569 VanDerWaalsContact O-CA 3.24Å; R555-M569 WeakPolarHBondContact O-CA 3.24Å; R555-S570 PolarHBondContact N-O 3.46Å; R555-S570 PolarHBondContact O-N 2.93Å; R555-W572 HydrophobicContact CB-CB 4Å; R555-W572 HydrophobicContact CB-CG 4.42Å; R555-T647 HydrophobicContact CG-CG2 4.47Å |
| 556 | C | 95.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.2 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | I510 A514 L535 I554 V558 V567 R568 | I510-C556 VanDerWaalsContact CG2-SG 3.56Å; A514-C556 HydrophobicContact CB-CB 4.22Å; L535-C556 HydrophobicContact CB-CB 4.27Å; L535-C556 PolarHBondContact N-O 3.28Å; L535-C556 PolarHBondContact O-N 3.32Å; I554-C556 PolarHBondContact O-SG 2.84Å; C556-V558 HydrophobicContact CB-CG2 4.39Å; C556-V567 HydrophobicContact CB-CG1 4.13Å; C556-R568 WeakPolarHBondContact CA-O 3.05Å |
| 557 | I | 96.3 | Very high | 80 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 104.9 | 168.7 | -60.4 | 173.3 | 0 | 0 | 0 | 107.2 | Q532 W533 R568 | Q532-I557 HydrophobicContact CG-CG2 4Å; W533-I557 WeakPolarHBondContact O-CA 3.5Å; I557-R568 HydrophobicContact CB-CB 4.4Å; I557-R568 VanDerWaalsContact CD1-NH2 3.31Å; I557-R568 PolarHBondContact N-O 2.98Å; I557-R568 PolarHBondContact O-N 3.08Å |
| 558 | V | 95 | Very high | 82 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119 | -178.7 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | A514 A518 Q532 W533 L535 C556 F565 Q566 V567 | A514-V558 HydrophobicContact CB-CG2 3.8Å; A518-V558 HydrophobicContact CB-CB 4.44Å; A518-V558 HydrophobicContact CB-CG1 3.85Å; Q532-V558 CarbonylContact C-O 3.52Å; Q532-V558 VanDerWaalsContact CA-O 3.25Å; Q532-V558 WeakPolarHBondContact CA-O 3.44Å; W533-V558 HydrophobicContact CB-CB 4.3Å; W533-V558 HydrophobicContact CE3-CB 4.34Å; W533-V558 HydrophobicContact CE3-CG1 4.25Å; W533-V558 PolarHBondContact N-O 2.98Å; W533-V558 PolarHBondContact O-N 2.76Å; L535-V558 HydrophobicContact CD1-CG2 3.98Å; C556-V558 HydrophobicContact CB-CG2 4.39Å; V558-F565 HydrophobicContact CG1-CB 4.36Å; V558-F565 HydrophobicContact CG1-CD1 3.85Å; V558-Q566 WeakPolarHBondContact CA-O 3.4Å; V558-V567 HydrophobicContact CG1-CG2 4.23Å; V558-V567 HydrophobicContact CG2-CG1 4.08Å; V558-V567 HydrophobicContact CG2-CG2 4.19Å |
| 559 | T | 93.8 | Very high | 84.1 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133 | 170.3 | -56.7 | 0 | 0 | 0 | 0 | 108.5 | Q532 F565 Q566 | Q532-T559 PolarHBondContact NE2-OG1 3.34Å; T559-F565 CarbonylContact O-C 3.39Å; T559-F565 WeakPolarHBondContact O-CA 3.5Å; T559-Q566 PolarHBondContact N-O 3.35Å; T559-Q566 PolarHBondContact O-N 2.88Å |
| 560 | R | 89.8 | Confident | 86.2 | Confident | 57 Ų | 57 | 43.2 Ų | 43.2 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.1 | 174.1 | -173.5 | -173.6 | -172.4 | -157.6 | -1.1 | 110.3 | E530 S531 W533 G564 F565 D601 | E530-R560 WeakPolarHBondContact CA-O 3.47Å; S531-R560 PolarHBondContact O-N 3.28Å; W533-R560 HydrophobicContact CH2-CB 4.28Å; W533-R560 HydrophobicContact CZ3-CB 3.78Å; R560-G564 WeakPolarHBondContact CA-O 3.44Å; R560-F565 HydrophobicContact CB-CD1 3.84Å; R560-F565 HydrophobicContact CB-CE1 3.86Å; R560-F565 HydrophobicContact CG-CD1 3.94Å; R560-F565 HydrophobicContact CG-CE1 3.66Å; R560-F565 HydrophobicContact CG-CZ 4.14Å; R560-D601 IonicContact CZ-OD2 3.64Å; R560-D601 IonicContact NE-OD2 3.69Å; R560-D601 PolarHBondContact NE-OD2 3.08Å; R560-D601 IonicContact NH2-OD2 2.79Å; R560-D601 PolarHBondContact NH2-OD2 3.04Å |
| 561 | D | 82.6 | Confident | 88 | Confident | 54 Ų | 54 | 43 Ų | 43 | 29% | 0.289 | 24% | 0.235 | S | C | . | . | trans | -126 | -168.7 | 173.2 | 66.6 | 27.2 | 0 | 0 | 0 | 111.1 | S563 G564 | D561-S563 PolarHBondContact O-N 2.75Å; D561-S563 WeakPolarHBondContact OD1-CA 3.5Å; D561-S563 WeakPolarHBondContact OD1-CB 3.23Å; D561-S563 PolarHBondContact OD1-N 2.97Å; D561-S563 PolarHBondContact OD1-OG 2.9Å; D561-S563 PolarHBondContact OD2-OG 3.49Å; D561-G564 PolarHBondContact N-O 2.94Å; D561-G564 PolarHBondContact OD1-N 3.17Å | ||
| 562 | C | 75.1 | Confident | 89 | Confident | 140 Ų | 140 | 41 Ų | 41 | 95% | 0.946 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -70.4 | -16.7 | 179.1 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 563 | S | 76.5 | Confident | 89.2 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 57% | 0.566 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -95.6 | -24.9 | -178.7 | 75.6 | 0 | 0 | 0 | 0 | 113.1 | D561 | D561-S563 PolarHBondContact O-N 2.75Å; D561-S563 WeakPolarHBondContact OD1-CA 3.5Å; D561-S563 WeakPolarHBondContact OD1-CB 3.23Å; D561-S563 PolarHBondContact OD1-N 2.97Å; D561-S563 PolarHBondContact OD1-OG 2.9Å; D561-S563 PolarHBondContact OD2-OG 3.49Å |
| 564 | G | 87.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -139.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | R560 D561 | R560-G564 WeakPolarHBondContact CA-O 3.44Å; D561-G564 PolarHBondContact N-O 2.94Å; D561-G564 PolarHBondContact OD1-N 3.17Å |
| 565 | F | 90.9 | Very high | 87.2 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 141.9 | 175.4 | -55.9 | -91.1 | 0 | 0 | 0 | 110.5 | S515 A518 K519 V558 T559 R560 V567 R598 V599 D601 | S515-F565 WeakPolarHBondContact OG-CB 3.37Å; A518-F565 HydrophobicContact CB-CE1 4.21Å; K519-F565 HydrophobicContact CB-CE1 4.42Å; K519-F565 HydrophobicContact CB-CZ 3.74Å; K519-F565 HydrophobicContact CD-CE2 4.49Å; K519-F565 HydrophobicContact CD-CZ 4.26Å; K519-F565 HydrophobicContact CG-CZ 4.23Å; V558-F565 HydrophobicContact CG1-CB 4.36Å; V558-F565 HydrophobicContact CG1-CD1 3.85Å; T559-F565 CarbonylContact O-C 3.39Å; T559-F565 WeakPolarHBondContact O-CA 3.5Å; R560-F565 HydrophobicContact CB-CD1 3.84Å; R560-F565 HydrophobicContact CB-CE1 3.86Å; R560-F565 HydrophobicContact CG-CD1 3.94Å; R560-F565 HydrophobicContact CG-CE1 3.66Å; R560-F565 HydrophobicContact CG-CZ 4.14Å; F565-V567 HydrophobicContact CB-CG2 4.49Å; F565-R598 CarbonylContact O-C 3.55Å; F565-R598 WeakPolarHBondContact O-CA 3.47Å; F565-V599 HydrophobicContact CB-CB 4.23Å; F565-V599 PolarHBondContact N-O 2.84Å; F565-V599 PolarHBondContact O-N 2.89Å; F565-D601 HydrophobicContact CD2-CB 4.25Å; F565-D601 HydrophobicContact CE2-CB 3.83Å; F565-D601 WeakPolarHBondContact CE2-OD1 3.28Å |
| 566 | Q | 92.3 | Very high | 85.8 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.9 | 167.2 | -180 | 173.7 | -33.8 | 0 | 0 | 108 | V558 T559 L596 | V558-Q566 WeakPolarHBondContact CA-O 3.4Å; T559-Q566 PolarHBondContact N-O 3.35Å; T559-Q566 PolarHBondContact O-N 2.88Å; Q566-L596 HydrophobicContact CG-CD1 3.54Å; Q566-L596 HydrophobicContact CG-CG 4.33Å |
| 567 | V | 93.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108.4 | -175.7 | -170.9 | 0 | 0 | 0 | 0 | 109 | A514 S515 C556 V558 F565 M569 V597 V599 | A514-V567 HydrophobicContact CB-CG1 4.39Å; S515-V567 WeakPolarHBondContact OG-CG2 3.39Å; C556-V567 HydrophobicContact CB-CG1 4.13Å; V558-V567 HydrophobicContact CG1-CG2 4.23Å; V558-V567 HydrophobicContact CG2-CG1 4.08Å; V558-V567 HydrophobicContact CG2-CG2 4.19Å; F565-V567 HydrophobicContact CB-CG2 4.49Å; V567-M569 HydrophobicContact CG1-CG 3.9Å; V567-M569 HydrophobicContact CG1-SD 4.34Å; V567-V597 PolarHBondContact N-O 3.37Å; V567-V597 PolarHBondContact O-N 3.42Å; V567-V599 HydrophobicContact CG2-CG2 4.4Å |
| 568 | R | 94.6 | Very high | 82.1 | Confident | 105 Ų | 105 | 63 Ų | 63 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 120.4 | 172 | -178.5 | 172.8 | 56 | -179.3 | -3.4 | 109.2 | C556 I557 S595 L596 | C556-R568 WeakPolarHBondContact CA-O 3.05Å; I557-R568 HydrophobicContact CB-CB 4.4Å; I557-R568 VanDerWaalsContact CD1-NH2 3.31Å; I557-R568 PolarHBondContact N-O 2.98Å; I557-R568 PolarHBondContact O-N 3.08Å; R568-S595 WeakPolarHBondContact CA-O 3.36Å; R568-L596 HydrophobicContact CB-CD1 3.9Å |
| 569 | M | 94 | Very high | 80.2 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.9 | -176.1 | -67.8 | 176.5 | -63.8 | 0 | 0 | 111 | D507 I510 I554 R555 V567 E594 S595 V597 | D507-M569 HydrophobicContact CB-CE 3.57Å; D507-M569 WeakPolarHBondContact O-CE 3.42Å; I510-M569 HydrophobicContact CB-SD 3.94Å; I510-M569 HydrophobicContact CG2-SD 3.64Å; I554-M569 HydrophobicContact CG2-CB 3.76Å; I554-M569 HydrophobicContact CG2-CG 4.02Å; I554-M569 HydrophobicContact CG2-SD 4.42Å; R555-M569 CarbonylContact O-C 3.48Å; R555-M569 VanDerWaalsContact O-CA 3.24Å; R555-M569 WeakPolarHBondContact O-CA 3.24Å; V567-M569 HydrophobicContact CG1-CG 3.9Å; V567-M569 HydrophobicContact CG1-SD 4.34Å; M569-E594 VanDerWaalsContact O-CA 3.3Å; M569-E594 WeakPolarHBondContact O-CA 3.41Å; M569-S595 WeakPolarHBondContact CE-OG 3.23Å; M569-S595 PolarHBondContact N-O 2.95Å; M569-S595 PolarHBondContact O-N 2.88Å; M569-V597 HydrophobicContact CE-CB 4.16Å; M569-V597 HydrophobicContact CE-CG2 3.51Å |
| 570 | S | 92.3 | Very high | 78.3 | Confident | 10 Ų | 10 | 73.9 Ų | 73.9 | 7% | 0.07 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155.1 | 171.1 | 66.8 | 0 | 0 | 0 | 0 | 111 | I554 R555 W572 S589 | I554-S570 CarbonylContact C-O 3.53Å; R555-S570 PolarHBondContact N-O 3.46Å; R555-S570 PolarHBondContact O-N 2.93Å; S570-W572 PolarHBondContact O-N 2.9Å; S570-S589 WeakPolarHBondContact CB-OG 3.25Å; S570-S589 PolarHBondContact OG-OG 3.49Å |
| 571 | P | 88.8 | Confident | 76.5 | Confident | 63 Ų | 63 | 79.8 Ų | 79.8 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 138.7 | 173.4 | -26.4 | 36.1 | 0 | 0 | 0 | 111.6 | Q593 | P571-Q593 HydrophobicContact CG-CB 4.17Å |
| 572 | W | 86.1 | Confident | 75 | Confident | 22 Ų | 22 | 79.5 Ų | 79.5 | 8% | 0.083 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.8 | 175 | -173.3 | 80.4 | 0 | 0 | 0 | 109.6 | V536 Y553 R555 S570 P574 A650 A654 | V536-W572 HydrophobicContact CG1-CB 4.46Å; V536-W572 HydrophobicContact CG1-CD2 3.99Å; V536-W572 HydrophobicContact CG1-CE3 3.83Å; V536-W572 HydrophobicContact CG1-CG 4.3Å; V536-W572 HydrophobicContact CG1-CZ3 4.34Å; V536-W572 HydrophobicContact CG2-CD2 3.9Å; V536-W572 HydrophobicContact CG2-CE3 4.46Å; V536-W572 HydrophobicContact CG2-CG 4.01Å; V536-W572 HydrophobicContact CG2-CZ2 4.43Å; Y553-W572 WeakPolarHBondContact CB-O 3.47Å; Y553-W572 HydrophobicContact CD1-CE3 4.3Å; Y553-W572 HydrophobicContact CD1-CZ3 4.32Å; Y553-W572 HydrophobicContact CD2-CE3 4.26Å; Y553-W572 HydrophobicContact CD2-CZ3 4.36Å; Y553-W572 AromaticContact CG-CE3 3.79Å; Y553-W572 HydrophobicContact CG-CE3 3.79Å; Y553-W572 HydrophobicContact CG-CZ3 4.08Å; Y553-W572 PolarHBondContact O-N 3.26Å; R555-W572 HydrophobicContact CB-CB 4Å; R555-W572 HydrophobicContact CB-CG 4.42Å; S570-W572 PolarHBondContact O-N 2.9Å; W572-P574 HydrophobicContact CH2-CB 3.97Å; W572-P574 HydrophobicContact CZ3-CB 3.89Å; W572-P574 HydrophobicContact CZ3-CG 4.45Å; W572-A650 HydrophobicContact CH2-CB 3.9Å; W572-A650 HydrophobicContact CZ2-CB 4.18Å; W572-A650 HydrophobicContact CZ3-CB 4.37Å; W572-A654 HydrophobicContact CH2-CB 4.46Å |
| 573 | E | 78.2 | Confident | 73.7 | Confident | 147 Ų | 147 | 74.8 Ų | 74.8 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | trans | -113.4 | 137.5 | 170.3 | -70.3 | -170.2 | 172.7 | 0 | 0 | 109.8 | ||||
| 574 | P | 69.2 | Low | 72.3 | Confident | 55 Ų | 55 | 79 Ų | 79 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | trans | -63.2 | 137 | 169.6 | 26.7 | -31.9 | 0 | 0 | 0 | 109.6 | W572 K576 A654 | W572-P574 HydrophobicContact CH2-CB 3.97Å; W572-P574 HydrophobicContact CZ3-CB 3.89Å; W572-P574 HydrophobicContact CZ3-CG 4.45Å; P574-K576 PolarHBondContact O-N 2.8Å; P574-A654 HydrophobicContact CB-CB 3.48Å; P574-A654 VanDerWaalsContact CB-CB 3.48Å; P574-A654 HydrophobicContact CG-CB 4.32Å | ||
| 575 | P | 66.2 | Low | 70.3 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 37% | 0.37 | 41% | 0.414 | S | S | . | . | trans | -61 | 138.6 | -179.1 | -29.5 | 40.6 | 0 | 0 | 0 | 112.8 | H577 W651 | P575-H577 VanDerWaalsContact C-N 3.27Å; P575-H577 PolarHBondContact O-N 2.77Å; P575-W651 VanDerWaalsContact CG-NE1 3.34Å | ||
| 576 | K | 63.1 | Low | 68.3 | Low | 182 Ų | 182 | 88.1 Ų | 88.1 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -67.9 | -25.2 | 179.4 | -65.1 | -177.2 | -179.3 | 177.6 | 0 | 113.5 | P574 | P574-K576 PolarHBondContact O-N 2.8Š|
| 577 | H | 59.1 | Low | 66.1 | Low | 143 Ų | 143 | 86.7 Ų | 86.7 | 66% | 0.662 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -119.8 | 129.5 | -177.7 | -62.2 | -53.5 | 0 | 0 | 0 | 110.5 | P575 N579 | P575-H577 VanDerWaalsContact C-N 3.27Å; P575-H577 PolarHBondContact O-N 2.77Å; H577-N579 PolarHBondContact O-N 2.93Å |
| 578 | I | 54.3 | Low | 63.7 | Low | 80 Ų | 80 | 96.2 Ų | 96.2 | 41% | 0.41 | 48% | 0.479 | S | S | . | . | trans | -98 | 78.6 | -178.3 | -55.2 | 168.4 | 0 | 0 | 0 | 107.4 | W651 A655 Y656 | I578-W651 HydrophobicContact CB-CZ2 4.49Å; I578-W651 HydrophobicContact CG2-CH2 3.63Å; I578-W651 HydrophobicContact CG2-CZ2 4Å; I578-A655 HydrophobicContact CD1-CB 3.81Å; I578-A655 HydrophobicContact CG1-CB 3.94Å; I578-A655 HydrophobicContact CG2-CB 4.25Å; I578-Y656 HydrophobicContact CG2-CE1 4.24Å; I578-Y656 HydrophobicContact CG2-CE2 4.05Å; I578-Y656 WeakPolarHBondContact CG2-OH 3.41Å | ||
| 579 | N | 56.3 | Low | 61.4 | Low | 105 Ų | 105 | 92.9 Ų | 92.9 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | trans | -105.2 | 133.6 | 163.8 | -97.6 | -17.6 | 0 | 0 | 0 | 108.7 | H577 Q581 D582 | H577-N579 PolarHBondContact O-N 2.93Å; N579-Q581 PolarHBondContact O-N 3.47Å; N579-D582 WeakPolarHBondContact CB-OD2 3.39Å; N579-D582 PolarHBondContact O-N 2.77Å | ||
| 580 | Q | 53.5 | Low | 59 | Low | 170 Ų | 170 | 96.1 Ų | 96.1 | 79% | 0.794 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -56.4 | -22 | 179.6 | -77.4 | -178.1 | -7.6 | 0 | 0 | 113.3 | ||
| 581 | Q | 51.9 | Low | 56.9 | Low | 180 Ų | 180 | 104.4 Ų | 104.4 | 84% | 0.841 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -80.2 | -13.9 | -179.6 | -65.7 | -176.5 | -7.5 | 0 | 0 | 113.8 | N579 | N579-Q581 PolarHBondContact O-N 3.47Š|
| 582 | D | 51.4 | Low | 55.2 | Low | 49 Ų | 49 | 106.3 Ų | 106.3 | 26% | 0.262 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -91.5 | 2.2 | -172.6 | -65.6 | -29 | 0 | 0 | 0 | 114.1 | N579 H584 I585 | N579-D582 WeakPolarHBondContact CB-OD2 3.39Å; N579-D582 PolarHBondContact O-N 2.77Å; D582-H584 PolarHBondContact O-N 3.02Å; D582-I585 HydrophobicContact CB-CD1 3.95Å; D582-I585 HydrophobicContact CB-CG1 4.37Å; D582-I585 PolarHBondContact O-N 2.82Å; D582-I585 WeakPolarHBondContact OD1-CD1 3.3Å |
| 583 | V | 48.5 | Very low | 54.3 | Low | 40 Ų | 40 | 111.3 Ų | 111.3 | 24% | 0.242 | 57% | 0.569 | C | S | . | * | G | 310 helix | trans | -59.2 | -19.4 | -177.4 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | T648 W651 | V583-T648 HydrophobicContact CG1-CG2 3.82Å; V583-W651 HydrophobicContact CG2-CD2 4.47Å; V583-W651 HydrophobicContact CG2-CE3 4.29Å; V583-W651 HydrophobicContact CG2-CH2 4.41Å; V583-W651 HydrophobicContact CG2-CZ3 4.26Å |
| 584 | H | 47.4 | Very low | 54.7 | Low | 170 Ų | 170 | 107.9 Ų | 107.9 | 79% | 0.787 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -97.3 | 0.3 | 177.9 | -67.1 | -40.2 | 0 | 0 | 0 | 115.2 | D582 T586 | D582-H584 PolarHBondContact O-N 3.02Å; H584-T586 VanDerWaalsContact C-N 3.3Å; H584-T586 PolarHBondContact O-N 2.76Å |
| 585 | I | 45.3 | Very low | 55.6 | Low | 120 Ų | 120 | 106.7 Ų | 106.7 | 62% | 0.615 | 55% | 0.545 | S | S | * | . | trans | -77.7 | 89.3 | 176 | -54.9 | -179.1 | 0 | 0 | 0 | 108.2 | D582 S587 | D582-I585 HydrophobicContact CB-CD1 3.95Å; D582-I585 HydrophobicContact CB-CG1 4.37Å; D582-I585 PolarHBondContact O-N 2.82Å; D582-I585 WeakPolarHBondContact OD1-CD1 3.3Å; I585-S587 PolarHBondContact O-N 3.02Å | ||
| 586 | T | 48.7 | Very low | 56.8 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | trans | -60.2 | 117.5 | 167.4 | 30.1 | 0 | 0 | 0 | 0 | 108.1 | H584 Q588 | H584-T586 VanDerWaalsContact C-N 3.3Å; H584-T586 PolarHBondContact O-N 2.76Å; T586-Q588 PolarHBondContact O-N 3.03Å | ||
| 587 | S | 45.7 | Very low | 58 | Low | 39 Ų | 39 | 99.1 Ų | 99.1 | 27% | 0.273 | 51% | 0.51 | S | S | . | . | trans | -51.3 | 115.2 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 108.8 | I585 S589 | I585-S587 PolarHBondContact O-N 3.02Å; S587-S589 PolarHBondContact O-N 2.82Å | ||
| 588 | Q | 44.2 | Very low | 59.5 | Low | 200 Ų | 200 | 100.1 Ų | 100.1 | 94% | 0.935 | 51% | 0.508 | S | S | * | . | trans | -69.4 | 85.2 | 171.3 | -69 | -177.9 | -5 | 0 | 0 | 107.1 | T586 | T586-Q588 PolarHBondContact O-N 3.03Š| ||
| 589 | S | 45.5 | Very low | 61.2 | Low | 35 Ų | 35 | 96.4 Ų | 96.4 | 25% | 0.245 | 49% | 0.489 | C | S | . | . | trans | -67.1 | 134.6 | 171.1 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | S570 S587 K591 | S570-S589 WeakPolarHBondContact CB-OG 3.25Å; S570-S589 PolarHBondContact OG-OG 3.49Å; S587-S589 PolarHBondContact O-N 2.82Å; S589-K591 PolarHBondContact O-N 3.26Å | ||
| 590 | S | 43.3 | Very low | 62.7 | Low | 71 Ų | 71 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | trans | -58.8 | 126.5 | 166.2 | 48.3 | 0 | 0 | 0 | 0 | 109 | S592 Q593 | S590-S592 PolarHBondContact O-N 2.96Å; S590-S592 PolarHBondContact OG-OG 2.86Å; S590-Q593 PolarHBondContact O-N 3.37Å | ||
| 591 | K | 49.3 | Very low | 64.3 | Low | 184 Ų | 184 | 87.4 Ų | 87.4 | 80% | 0.8 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -51 | -16.4 | 179 | -75.6 | -177.5 | 175.6 | 179.5 | 0 | 114.8 | S589 Q593 | S589-K591 PolarHBondContact O-N 3.26Å; K591-Q593 VanDerWaalsContact C-N 3.28Å; K591-Q593 PolarHBondContact O-N 2.87Å |
| 592 | S | 52 | Low | 65.9 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 72% | 0.72 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -70.8 | -10.9 | -177.7 | 51.6 | 0 | 0 | 0 | 0 | 115.5 | S590 | S590-S592 PolarHBondContact O-N 2.96Å; S590-S592 PolarHBondContact OG-OG 2.86Å |
| 593 | Q | 68 | Low | 67.7 | Low | 127 Ų | 127 | 81.5 Ų | 81.5 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -121.7 | 15.3 | 178.3 | -69.4 | -175.4 | -35.6 | 0 | 0 | 113.3 | P571 S590 K591 | P571-Q593 HydrophobicContact CG-CB 4.17Å; S590-Q593 PolarHBondContact O-N 3.37Å; K591-Q593 VanDerWaalsContact C-N 3.28Å; K591-Q593 PolarHBondContact O-N 2.87Å |
| 594 | E | 85.2 | Confident | 69.7 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | trans | -81 | 133.2 | 176.5 | -66 | -171.2 | 175.8 | 0 | 0 | 110.8 | M569 | M569-E594 VanDerWaalsContact O-CA 3.3Å; M569-E594 WeakPolarHBondContact O-CA 3.41Å | ||
| 595 | S | 88.9 | Confident | 71.8 | Confident | 30 Ų | 30 | 79.5 Ų | 79.5 | 21% | 0.21 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 151 | 165.9 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | D507 R568 M569 | D507-S595 WeakPolarHBondContact OD2-CB 3.47Å; D507-S595 PolarHBondContact OD2-OG 3.05Å; R568-S595 WeakPolarHBondContact CA-O 3.36Å; M569-S595 WeakPolarHBondContact CE-OG 3.23Å; M569-S595 PolarHBondContact N-O 2.95Å; M569-S595 PolarHBondContact O-N 2.88Å |
| 596 | L | 91 | Very high | 74 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 42% | 0.424 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115.1 | -177.3 | -177.9 | 65.7 | 0 | 0 | 0 | 109.4 | Q566 R568 | Q566-L596 HydrophobicContact CG-CD1 3.54Å; Q566-L596 HydrophobicContact CG-CG 4.33Å; R568-L596 HydrophobicContact CB-CD1 3.9Å |
| 597 | V | 89.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 132.2 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | D507 S511 V567 M569 V599 Y614 | D507-V597 HydrophobicContact CB-CG2 4.25Å; S511-V597 WeakPolarHBondContact OG-CG1 3.36Å; V567-V597 PolarHBondContact N-O 3.37Å; V567-V597 PolarHBondContact O-N 3.42Å; M569-V597 HydrophobicContact CE-CB 4.16Å; M569-V597 HydrophobicContact CE-CG2 3.51Å; V597-V599 HydrophobicContact CG1-CG2 4.12Å; V597-Y614 HydrophobicContact CB-CD2 4.48Å; V597-Y614 HydrophobicContact CB-CE2 3.98Å; V597-Y614 HydrophobicContact CG1-CD2 3.59Å; V597-Y614 HydrophobicContact CG1-CE2 3.59Å; V597-Y614 HydrophobicContact CG1-CG 4.4Å; V597-Y614 HydrophobicContact CG2-CE2 3.91Å |
| 598 | R | 90.2 | Very high | 78.3 | Confident | 164 Ų | 164 | 79.6 Ų | 79.6 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.3 | 171.4 | -68.1 | -175.4 | 179.2 | -143.7 | -1.7 | 109.4 | F565 H612 | F565-R598 CarbonylContact O-C 3.55Å; F565-R598 WeakPolarHBondContact O-CA 3.47Å; R598-H612 PolarHBondContact O-CE1 2.97Å; R598-H612 VanDerWaalsContact O-CE1 3.23Å |
| 599 | V | 90 | Very high | 80.8 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 117.4 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | V512 F565 V567 V597 F603 | V512-V599 HydrophobicContact CG2-CG1 4.21Å; V512-V599 HydrophobicContact CG2-CG2 4.33Å; F565-V599 HydrophobicContact CB-CB 4.23Å; F565-V599 PolarHBondContact N-O 2.84Å; F565-V599 PolarHBondContact O-N 2.89Å; V567-V599 HydrophobicContact CG2-CG2 4.4Å; V597-V599 HydrophobicContact CG1-CG2 4.12Å; V599-F603 HydrophobicContact CG1-CE1 4.43Å |
| 600 | A | 87 | Confident | 83 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 135.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | N602 | A600-N602 HydrophobicContact CB-CB 4.41Å; A600-N602 PolarHBondContact O-N 2.69Å; A600-N602 VanDerWaalsContact O-N 3.09Å; A600-N602 PolarHBondContact O-OD1 3.29Å |
| 601 | D | 86.9 | Confident | 85.2 | Confident | 46 Ų | 46 | 71 Ų | 71 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | trans | -86 | 46.9 | 176 | -165.6 | 22.6 | 0 | 0 | 0 | 112.1 | K519 R560 F565 | K519-D601 WeakPolarHBondContact CD-OD1 3.31Å; K519-D601 WeakPolarHBondContact CE-OD1 3.33Å; K519-D601 IonicContact NZ-OD1 2.89Å; K519-D601 PolarHBondContact NZ-OD1 2.83Å; K519-D601 IonicContact NZ-OD2 2.73Å; R560-D601 IonicContact CZ-OD2 3.64Å; R560-D601 IonicContact NE-OD2 3.69Å; R560-D601 PolarHBondContact NE-OD2 3.08Å; R560-D601 IonicContact NH2-OD2 2.79Å; R560-D601 PolarHBondContact NH2-OD2 3.04Å; F565-D601 HydrophobicContact CD2-CB 4.25Å; F565-D601 HydrophobicContact CE2-CB 3.83Å; F565-D601 WeakPolarHBondContact CE2-OD1 3.28Å | ||
| 602 | N | 85.8 | Confident | 86.7 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | trans | -95.9 | 6.3 | -173.1 | 68.4 | -17.1 | 0 | 0 | 0 | 114.2 | A600 N611 | A600-N602 HydrophobicContact CB-CB 4.41Å; A600-N602 PolarHBondContact O-N 2.69Å; A600-N602 VanDerWaalsContact O-N 3.09Å; A600-N602 PolarHBondContact O-OD1 3.29Å; N602-N611 PolarHBondContact ND2-O 3.25Å; N602-N611 PolarHBondContact OD1-O 3.48Å | ||
| 603 | F | 88.7 | Confident | 87.6 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 2% | 0.022 | 31% | 0.314 | C | S | . | . | trans | -121.6 | 150.4 | -178.4 | 66 | -87.8 | 0 | 0 | 0 | 111.6 | I516 K519 V599 L605 I610 | I516-F603 HydrophobicContact CG1-CE2 3.64Å; I516-F603 HydrophobicContact CG1-CZ 3.71Å; K519-F603 HydrophobicContact CD-CE2 4.23Å; K519-F603 HydrophobicContact CD-CZ 4.48Å; K519-F603 PolarHBondContact NZ-O 3.45Å; V599-F603 HydrophobicContact CG1-CE1 4.43Å; F603-L605 HydrophobicContact CE2-CD2 4.46Å; F603-I610 HydrophobicContact CB-CG1 4.18Å; F603-I610 HydrophobicContact CB-CG2 4.23Å; F603-I610 HydrophobicContact CD1-CG2 3.8Å; F603-I610 HydrophobicContact CD2-CD1 3.98Å; F603-I610 HydrophobicContact CD2-CG1 4.18Å; F603-I610 HydrophobicContact CE1-CG2 4.36Å; F603-I610 HydrophobicContact CE2-CD1 4.22Å; F603-I610 HydrophobicContact CG-CD1 4.29Å; F603-I610 HydrophobicContact CG-CG1 4.11Å; F603-I610 HydrophobicContact CG-CG2 3.99Å | ||
| 604 | K | 90.8 | Very high | 87.3 | Confident | 142 Ų | 142 | 56.5 Ų | 56.5 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | trans | -93 | 152.8 | 169.1 | -59.1 | 171.8 | -176.2 | 172 | 0 | 109.3 | S606 D607 | K604-S606 PolarHBondContact O-N 2.88Å; K604-D607 PolarHBondContact N-OD2 2.92Å; K604-D607 WeakPolarHBondContact O-CB 3.46Å; K604-D607 PolarHBondContact O-N 3Å | ||
| 605 | L | 91.1 | Very high | 86 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -6.8 | 176.1 | -66.3 | 174.5 | 0 | 0 | 0 | 114 | I516 K519 N520 F603 | I516-L605 HydrophobicContact CG2-CD2 3.99Å; K519-L605 HydrophobicContact CB-CD2 4.21Å; K519-L605 HydrophobicContact CD-CD2 4.28Å; K519-L605 HydrophobicContact CD-CG 4.28Å; K519-L605 HydrophobicContact CG-CD1 4.22Å; K519-L605 HydrophobicContact CG-CD2 4.19Å; K519-L605 HydrophobicContact CG-CG 4.16Å; N520-L605 HydrophobicContact CB-CD1 3.87Å; N520-L605 HydrophobicContact CB-CD2 4.44Å; F603-L605 HydrophobicContact CE2-CD2 4.46Å |
| 606 | S | 91.7 | Very high | 84.6 | Confident | 94 Ų | 94 | 60 Ų | 60 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9.6 | 172.7 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | K604 | K604-S606 PolarHBondContact O-N 2.88Š|
| 607 | D | 93.7 | Very high | 83.4 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | trans | -72.5 | 134.6 | -177.1 | -64.7 | -15.6 | 0 | 0 | 0 | 109.3 | K604 | K604-D607 PolarHBondContact N-OD2 2.92Å; K604-D607 WeakPolarHBondContact O-CB 3.46Å; K604-D607 PolarHBondContact O-N 3Å | ||
| 608 | K | 92.5 | Very high | 83 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -78.9 | -30.7 | -179.4 | -61.9 | 163.8 | -177.3 | 177 | 0 | 111.2 | T403 V458 Q622 L623 | T403-K608 HydrophobicContact CG2-CD 3.81Å; T403-K608 VanDerWaalsContact CG2-CE 3.45Å; V458-K608 HydrophobicContact CG1-CB 4.24Å; V458-K608 HydrophobicContact CG1-CD 4.16Å; V458-K608 HydrophobicContact CG2-CB 4.13Å; K608-Q622 CarbonylContact O-C 3.57Å; K608-Q622 WeakPolarHBondContact O-CA 3.36Å; K608-Q622 WeakPolarHBondContact O-CB 3.39Å; K608-L623 PolarHBondContact O-N 2.97Å; K608-L623 VanDerWaalsContact O-N 3.08Å |
| 609 | I | 94.8 | Very high | 82.9 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134.5 | -179 | -57.1 | 172.9 | 0 | 0 | 0 | 107.8 | S456 V458 I620 L621 | S456-I609 WeakPolarHBondContact O-CD1 3.39Å; V458-I609 HydrophobicContact CG2-CD1 3.86Å; V458-I609 HydrophobicContact CG2-CG1 3.7Å; I609-I620 HydrophobicContact CG2-CG2 3.63Å; I609-L621 CarbonylContact C-O 3.52Å; I609-L621 WeakPolarHBondContact CA-O 3.45Å |
| 610 | I | 92.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 108.8 | 175.2 | -60.5 | 175.3 | 0 | 0 | 0 | 106.6 | I516 F603 H612 L621 L623 | I516-I610 HydrophobicContact CD1-CD1 3.53Å; I516-I610 HydrophobicContact CG1-CD1 4.22Å; F603-I610 HydrophobicContact CB-CG1 4.18Å; F603-I610 HydrophobicContact CB-CG2 4.23Å; F603-I610 HydrophobicContact CD1-CG2 3.8Å; F603-I610 HydrophobicContact CD2-CD1 3.98Å; F603-I610 HydrophobicContact CD2-CG1 4.18Å; F603-I610 HydrophobicContact CE1-CG2 4.36Å; F603-I610 HydrophobicContact CE2-CD1 4.22Å; F603-I610 HydrophobicContact CG-CD1 4.29Å; F603-I610 HydrophobicContact CG-CG1 4.11Å; F603-I610 HydrophobicContact CG-CG2 3.99Å; I610-H612 HydrophobicContact CG2-CB 4.37Å; I610-H612 PolarHBondContact O-N 2.73Å; I610-L621 HydrophobicContact CB-CB 4.44Å; I610-L621 PolarHBondContact N-O 2.98Å; I610-L621 PolarHBondContact O-N 2.92Å; I610-L623 HydrophobicContact CD1-CB 4.24Å |
| 611 | N | 88.5 | Confident | 83.5 | Confident | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 103.5 | 171.6 | -65 | -52.2 | 0 | 0 | 0 | 107.9 | N602 | N602-N611 PolarHBondContact ND2-O 3.25Å; N602-N611 PolarHBondContact OD1-O 3.48Å |
| 612 | H | 82.5 | Confident | 84 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.023 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 146.6 | 179.8 | 175.9 | 53.3 | 0 | 0 | 0 | 109.4 | R598 I610 V619 L621 | R598-H612 PolarHBondContact O-CE1 2.97Å; R598-H612 VanDerWaalsContact O-CE1 3.23Å; I610-H612 HydrophobicContact CG2-CB 4.37Å; I610-H612 PolarHBondContact O-N 2.73Å; H612-V619 HydrophobicContact CB-CG2 3.78Å; H612-V619 PolarHBondContact N-O 3.23Å; H612-V619 WeakPolarHBondContact O-CG2 3.39Å; H612-V619 PolarHBondContact O-N 2.72Å; H612-L621 HydrophobicContact CB-CD1 4.2Å |
| 613 | S | 69.9 | Low | 84.4 | Confident | 67 Ų | 67 | 54 Ų | 54 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.8 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | N617 | S613-N617 WeakPolarHBondContact CA-O 3.41Å |
| 614 | Y | 62.7 | Low | 84.7 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.4 | 178.6 | -178.7 | -106.6 | 0 | 0 | 0 | 110.9 | K504 V597 G616 N617 | K504-Y614 HydrophobicContact CG-CE1 4.43Å; V597-Y614 HydrophobicContact CB-CD2 4.48Å; V597-Y614 HydrophobicContact CB-CE2 3.98Å; V597-Y614 HydrophobicContact CG1-CD2 3.59Å; V597-Y614 HydrophobicContact CG1-CE2 3.59Å; V597-Y614 HydrophobicContact CG1-CG 4.4Å; V597-Y614 HydrophobicContact CG2-CE2 3.91Å; Y614-G616 PolarHBondContact O-N 2.71Å; Y614-N617 PolarHBondContact N-O 3.05Å; Y614-N617 WeakPolarHBondContact O-CA 3.41Å; Y614-N617 WeakPolarHBondContact O-CB 3.42Å; Y614-N617 PolarHBondContact O-N 3.5Å |
| 615 | D | 58 | Low | 84.7 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 59% | 0.594 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 31.9 | -178.7 | -73.1 | -13.4 | 0 | 0 | 0 | 114.2 | K504 N617 | K504-D615 IonicContact NZ-OD2 3.3Å; D615-N617 VanDerWaalsContact C-N 3.3Å; D615-N617 PolarHBondContact O-N 2.92Å |
| 616 | G | 58 | Low | 84.6 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -1.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y614 | Y614-G616 PolarHBondContact O-N 2.71Š|
| 617 | N | 66.7 | Low | 84.3 | Confident | 90 Ų | 90 | 54.4 Ų | 54.4 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.3 | 174.4 | -65.8 | -16.4 | 0 | 0 | 0 | 110.3 | K504 S613 Y614 D615 | K504-N617 PolarHBondContact NZ-ND2 3.39Å; S613-N617 WeakPolarHBondContact CA-O 3.41Å; Y614-N617 PolarHBondContact N-O 3.05Å; Y614-N617 WeakPolarHBondContact O-CA 3.41Å; Y614-N617 WeakPolarHBondContact O-CB 3.42Å; Y614-N617 PolarHBondContact O-N 3.5Å; D615-N617 VanDerWaalsContact C-N 3.3Å; D615-N617 PolarHBondContact O-N 2.92Å |
| 618 | E | 81.2 | Confident | 83.9 | Confident | 152 Ų | 152 | 59.3 Ų | 59.3 | 71% | 0.71 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 124.9 | 168.7 | -64.5 | -176.4 | 152.4 | 0 | 0 | 109.9 | ||
| 619 | V | 88.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.9 | 175.5 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | T508 H612 L621 Y635 | T508-V619 HydrophobicContact CG2-CG2 4.05Å; H612-V619 HydrophobicContact CB-CG2 3.78Å; H612-V619 PolarHBondContact N-O 3.23Å; H612-V619 WeakPolarHBondContact O-CG2 3.39Å; H612-V619 PolarHBondContact O-N 2.72Å; V619-L621 HydrophobicContact CB-CD1 4.28Å; V619-L621 HydrophobicContact CG2-CD1 3.71Å; V619-Y635 HydrophobicContact CB-CE2 4.07Å; V619-Y635 HydrophobicContact CG1-CE2 4.2Å |
| 620 | I | 94.3 | Very high | 83.4 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.7 | 179.4 | -55.6 | 177.9 | 0 | 0 | 0 | 106.8 | K452 D455 S456 I609 | K452-I620 HydrophobicContact CB-CD1 4.25Å; K452-I620 HydrophobicContact CG-CD1 4.42Å; D455-I620 HydrophobicContact CB-CB 3.91Å; D455-I620 HydrophobicContact CB-CG2 4.03Å; S456-I620 WeakPolarHBondContact OG-CD1 3.08Å; I609-I620 HydrophobicContact CG2-CG2 3.63Å |
| 621 | L | 95.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.3 | 175.2 | -57.7 | 95.1 | 0 | 0 | 0 | 109.3 | V512 I609 I610 H612 V619 L633 Q634 Y635 | V512-L621 HydrophobicContact CB-CD2 4.45Å; V512-L621 HydrophobicContact CG1-CD2 4.32Å; V512-L621 HydrophobicContact CG2-CD1 4.48Å; I609-L621 CarbonylContact C-O 3.52Å; I609-L621 WeakPolarHBondContact CA-O 3.45Å; I610-L621 HydrophobicContact CB-CB 4.44Å; I610-L621 PolarHBondContact N-O 2.98Å; I610-L621 PolarHBondContact O-N 2.92Å; H612-L621 HydrophobicContact CB-CD1 4.2Å; V619-L621 HydrophobicContact CB-CD1 4.28Å; V619-L621 HydrophobicContact CG2-CD1 3.71Å; L621-L633 HydrophobicContact CD2-CD1 3.85Å; L621-Q634 CarbonylContact C-O 3.6Å; L621-Q634 WeakPolarHBondContact CA-O 3.48Å; L621-Y635 HydrophobicContact CD2-CD2 3.99Å; L621-Y635 HydrophobicContact CD2-CG 4.05Å; L621-Y635 HydrophobicContact CG-CD2 3.82Å; L621-Y635 HydrophobicContact CG-CG 4.34Å |
| 622 | Q | 96.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.9 | 168.1 | -52.3 | -172.5 | 17.5 | 0 | 0 | 111.1 | D455 Y457 K608 L624 L633 Q634 | D455-Q622 WeakPolarHBondContact O-CG 3.43Å; D455-Q622 PolarHBondContact O-NE2 3.29Å; Y457-Q622 PolarHBondContact O-NE2 2.88Å; K608-Q622 CarbonylContact O-C 3.57Å; K608-Q622 WeakPolarHBondContact O-CA 3.36Å; K608-Q622 WeakPolarHBondContact O-CB 3.39Å; Q622-L624 HydrophobicContact CB-CD2 4.29Å; Q622-L624 PolarHBondContact O-N 2.87Å; Q622-L633 CarbonylContact O-C 3.59Å; Q622-L633 VanDerWaalsContact O-CA 3.31Å; Q622-L633 WeakPolarHBondContact O-CA 3.25Å; Q622-Q634 HydrophobicContact CB-CB 4.04Å; Q622-Q634 PolarHBondContact N-O 3.48Å; Q622-Q634 PolarHBondContact O-N 2.93Å |
| 623 | L | 95.5 | Very high | 84.4 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 109 | 169.6 | -179 | 57.2 | 0 | 0 | 0 | 108.7 | I516 K608 I610 K626 V631 L633 | I516-L623 HydrophobicContact CD1-CD1 4.38Å; K608-L623 PolarHBondContact O-N 2.97Å; K608-L623 VanDerWaalsContact O-N 3.08Å; I610-L623 HydrophobicContact CD1-CB 4.24Å; L623-K626 HydrophobicContact CD2-CD 4.43Å; L623-V631 HydrophobicContact CD1-CG1 3.93Å; L623-L633 HydrophobicContact CB-CD2 4.15Å; L623-L633 HydrophobicContact CD1-CD2 3.72Å |
| 624 | L | 93.3 | Very high | 85.6 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -49.5 | -179.4 | -59.5 | -170.5 | 0 | 0 | 0 | 111.1 | Q622 C632 Q634 A639 | Q622-L624 HydrophobicContact CB-CD2 4.29Å; Q622-L624 PolarHBondContact O-N 2.87Å; L624-C632 HydrophobicContact CB-CB 4.2Å; L624-C632 WeakPolarHBondContact CB-O 3.32Å; L624-C632 PolarHBondContact N-O 3.43Å; L624-Q634 HydrophobicContact CD1-CB 4.07Å; L624-Q634 HydrophobicContact CD2-CB 3.97Å; L624-Q634 HydrophobicContact CG-CB 4.05Å; L624-A639 HydrophobicContact CD1-CB 3.57Å |
| 625 | D | 90.9 | Very high | 87.1 | Confident | 106 Ų | 106 | 50.3 Ų | 50.3 | 57% | 0.567 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156 | 158.6 | -179.6 | -168.5 | 23.4 | 0 | 0 | 0 | 111.1 | C632 | D625-C632 HydrophobicContact CB-CB 4.21Å; D625-C632 PolarHBondContact N-O 3.42Å; D625-C632 PolarHBondContact O-N 3.42Å |
| 626 | K | 89.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 46 Ų | 46 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 126.6 | 169.9 | 63.3 | -178.5 | -179.3 | 65.8 | 0 | 110.6 | N520 L623 T630 | N520-K626 PolarHBondContact OD1-NZ 2.79Å; L623-K626 HydrophobicContact CD2-CD 4.43Å; K626-T630 CarbonylContact C-O 3.57Å; K626-T630 WeakPolarHBondContact CA-O 3.49Å |
| 627 | S | 86.7 | Confident | 90.5 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | trans | -110.5 | -168.2 | 174.5 | 80.3 | 0 | 0 | 0 | 0 | 110.6 | N629 T630 | S627-N629 PolarHBondContact O-N 3.08Å; S627-N629 PolarHBondContact OG-N 3.43Å; S627-N629 PolarHBondContact OG-OD1 3.4Å; S627-T630 PolarHBondContact N-O 2.96Å; S627-T630 WeakPolarHBondContact OG-CB 3.5Å; S627-T630 PolarHBondContact OG-N 2.9Å | ||
| 628 | I | 84.3 | Confident | 91.8 | Very high | 158 Ų | 158 | 38.5 Ų | 38.5 | 81% | 0.81 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -65.5 | -30 | 177.8 | -64.2 | 168 | 0 | 0 | 0 | 111.6 | F517 | F517-I628 VanDerWaalsContact CE2-O 3.3Å; F517-I628 WeakPolarHBondContact CE2-O 3.46Å |
| 629 | N | 87.3 | Confident | 92.3 | Very high | 60 Ų | 60 | 33 Ų | 33 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -137.1 | 8.9 | -173.3 | 71.2 | -20.7 | 0 | 0 | 0 | 113.7 | S627 E643 I644 | S627-N629 PolarHBondContact O-N 3.08Å; S627-N629 PolarHBondContact OG-N 3.43Å; S627-N629 PolarHBondContact OG-OD1 3.4Å; N629-E643 CarbonylContact O-C 3.57Å; N629-E643 WeakPolarHBondContact O-CA 3.31Å; N629-I644 CarbonylContact C-O 3.47Å; N629-I644 VanDerWaalsContact CA-O 3.24Å; N629-I644 WeakPolarHBondContact CA-O 3.46Å; N629-I644 PolarHBondContact O-N 3.38Å; N629-I644 VanDerWaalsContact O-O 3.12Å |
| 630 | T | 90.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 18% | 0.184 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 135.6 | -178.8 | -51.3 | 0 | 0 | 0 | 0 | 109.8 | K626 S627 P641 V642 | K626-T630 CarbonylContact C-O 3.57Å; K626-T630 WeakPolarHBondContact CA-O 3.49Å; S627-T630 PolarHBondContact N-O 2.96Å; S627-T630 WeakPolarHBondContact OG-CB 3.5Å; S627-T630 PolarHBondContact OG-N 2.9Å; T630-P641 HydrophobicContact CG2-CB 4.16Å; T630-V642 CarbonylContact C-O 3.55Å; T630-V642 VanDerWaalsContact CA-O 3.29Å; T630-V642 WeakPolarHBondContact CA-O 3.2Å |
| 631 | V | 94.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.4 | 167.2 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | I516 F517 L623 L633 V642 I644 | I516-V631 HydrophobicContact CB-CG1 4.26Å; I516-V631 HydrophobicContact CD1-CG1 4.05Å; I516-V631 HydrophobicContact CG2-CG1 3.94Å; I516-V631 HydrophobicContact CG2-CG2 4.12Å; F517-V631 HydrophobicContact CB-CG2 4.43Å; L623-V631 HydrophobicContact CD1-CG1 3.93Å; V631-L633 HydrophobicContact CG1-CD2 4.1Å; V631-L633 HydrophobicContact CG1-CG 4.04Å; V631-V642 PolarHBondContact N-O 2.97Å; V631-V642 PolarHBondContact O-N 3.21Å; V631-I644 HydrophobicContact CB-CD1 4.35Å; V631-I644 HydrophobicContact CG2-CD1 4.07Å |
| 632 | C | 94.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 112.1 | 178 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | L624 D625 F640 | L624-C632 HydrophobicContact CB-CB 4.2Å; L624-C632 WeakPolarHBondContact CB-O 3.32Å; L624-C632 PolarHBondContact N-O 3.43Å; D625-C632 HydrophobicContact CB-CB 4.21Å; D625-C632 PolarHBondContact N-O 3.42Å; D625-C632 PolarHBondContact O-N 3.42Å; C632-F640 WeakPolarHBondContact CA-O 3.4Å |
| 633 | L | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.4 | 177.5 | -64.7 | -176.5 | 0 | 0 | 0 | 110.4 | L509 V512 S513 I516 L621 Q622 L623 V631 F640 | L509-L633 HydrophobicContact CD1-CB 3.88Å; L509-L633 HydrophobicContact CD1-CD1 4.15Å; V512-L633 HydrophobicContact CB-CD1 4.22Å; V512-L633 HydrophobicContact CG1-CD1 3.78Å; S513-L633 VanDerWaalsContact OG-CD1 3.25Å; S513-L633 WeakPolarHBondContact OG-CD1 3.42Å; I516-L633 HydrophobicContact CD1-CD1 4.07Å; I516-L633 HydrophobicContact CD1-CD2 3.72Å; I516-L633 HydrophobicContact CD1-CG 4.39Å; L621-L633 HydrophobicContact CD2-CD1 3.85Å; Q622-L633 CarbonylContact O-C 3.59Å; Q622-L633 VanDerWaalsContact O-CA 3.31Å; Q622-L633 WeakPolarHBondContact O-CA 3.25Å; L623-L633 HydrophobicContact CB-CD2 4.15Å; L623-L633 HydrophobicContact CD1-CD2 3.72Å; V631-L633 HydrophobicContact CG1-CD2 4.1Å; V631-L633 HydrophobicContact CG1-CG 4.04Å; L633-F640 PolarHBondContact N-O 2.69Å; L633-F640 VanDerWaalsContact N-O 3.08Å; L633-F640 PolarHBondContact O-N 2.58Å |
| 634 | Q | 95.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.1 | 161.4 | -166.2 | 175.9 | -43.1 | 0 | 0 | 108.6 | L621 Q622 L624 G637 T638 | L621-Q634 CarbonylContact C-O 3.6Å; L621-Q634 WeakPolarHBondContact CA-O 3.48Å; Q622-Q634 HydrophobicContact CB-CB 4.04Å; Q622-Q634 PolarHBondContact N-O 3.48Å; Q622-Q634 PolarHBondContact O-N 2.93Å; L624-Q634 HydrophobicContact CD1-CB 4.07Å; L624-Q634 HydrophobicContact CD2-CB 3.97Å; L624-Q634 HydrophobicContact CG-CB 4.05Å; Q634-G637 WeakPolarHBondContact CG-O 3.31Å; Q634-G637 PolarHBondContact NE2-O 2.85Å; Q634-T638 CarbonylContact C-O 3.55Å; Q634-T638 VanDerWaalsContact CA-O 3.25Å; Q634-T638 WeakPolarHBondContact CA-O 3.4Å |
| 635 | Y | 95 | Very high | 91.8 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 133.2 | 178.5 | -179.3 | -134.1 | 0 | 0 | 0 | 109.3 | L501 E505 L509 V619 L621 G637 T638 F640 | L501-Y635 HydrophobicContact CD1-CD1 4.42Å; L501-Y635 HydrophobicContact CD2-CD1 4.14Å; L501-Y635 HydrophobicContact CD2-CE1 4.31Å; E505-Y635 HydrophobicContact CB-CE1 3.93Å; E505-Y635 HydrophobicContact CG-CE1 4.28Å; L509-Y635 HydrophobicContact CB-CD1 4.37Å; V619-Y635 HydrophobicContact CB-CE2 4.07Å; V619-Y635 HydrophobicContact CG1-CE2 4.2Å; L621-Y635 HydrophobicContact CD2-CD2 3.99Å; L621-Y635 HydrophobicContact CD2-CG 4.05Å; L621-Y635 HydrophobicContact CG-CD2 3.82Å; L621-Y635 HydrophobicContact CG-CG 4.34Å; Y635-G637 PolarHBondContact O-N 3.3Å; Y635-T638 PolarHBondContact N-O 2.96Å; Y635-T638 PolarHBondContact O-N 3.45Å; Y635-F640 WeakPolarHBondContact O-CE2 3.35Å |
| 636 | L | 94.1 | Very high | 91.8 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 11% | 0.105 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 45.2 | -173.3 | -52.4 | 176.3 | 0 | 0 | 0 | 111.3 | K499 L501 E505 T638 | K499-L636 HydrophobicContact CG-CB 4.11Å; K499-L636 HydrophobicContact CG-CD1 4.12Å; L501-L636 HydrophobicContact CD2-CD1 4Å; E505-L636 HydrophobicContact CG-CD1 4.21Å; E505-L636 VanDerWaalsContact OE1-CD1 3.28Å; E505-L636 WeakPolarHBondContact OE1-CD1 3.44Å; L636-T638 PolarHBondContact O-N 3.48Å |
| 637 | G | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -18.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | D455 P467 Q634 Y635 | D455-G637 PolarHBondContact OD1-N 2.81Å; P467-G637 WeakPolarHBondContact CA-O 3.46Å; P467-G637 WeakPolarHBondContact CB-O 3.48Å; P467-G637 WeakPolarHBondContact CG-O 3.33Å; Q634-G637 WeakPolarHBondContact CG-O 3.31Å; Q634-G637 PolarHBondContact NE2-O 2.85Å; Y635-G637 PolarHBondContact O-N 3.3Å |
| 638 | T | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.6 | -173.4 | -61.7 | 0 | 0 | 0 | 0 | 112 | K499 A544 Q634 Y635 L636 F640 | K499-T638 VanDerWaalsContact CB-OG1 3.3Å; K499-T638 WeakPolarHBondContact CB-OG1 3.29Å; K499-T638 PolarHBondContact N-OG1 2.9Å; A544-T638 HydrophobicContact CB-CG2 4.08Å; Q634-T638 CarbonylContact C-O 3.55Å; Q634-T638 VanDerWaalsContact CA-O 3.25Å; Q634-T638 WeakPolarHBondContact CA-O 3.4Å; Y635-T638 PolarHBondContact N-O 2.96Å; Y635-T638 PolarHBondContact O-N 3.45Å; L636-T638 PolarHBondContact O-N 3.48Å; T638-F640 HydrophobicContact CG2-CD2 4.37Å; T638-F640 HydrophobicContact CG2-CE1 3.93Å; T638-F640 HydrophobicContact CG2-CE2 3.78Å; T638-F640 HydrophobicContact CG2-CZ 3.52Å; T638-F640 VanDerWaalsContact O-CD2 3.23Å; T638-F640 WeakPolarHBondContact O-CD2 3.41Å; T638-F640 WeakPolarHBondContact O-CE2 3.33Å |
| 639 | A | 92.5 | Very high | 91.6 | Very high | 38 Ų | 38 | 21.9 Ų | 21.9 | 31% | 0.314 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 123.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L624 | L624-A639 HydrophobicContact CD1-CB 3.57Å |
| 640 | F | 92.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 102.4 | 179.2 | -63.6 | -78.7 | 0 | 0 | 0 | 110.7 | K499 L501 L509 L539 A544 C632 L633 Y635 T638 V642 | K499-F640 HydrophobicContact CB-CZ 4.39Å; L501-F640 HydrophobicContact CD1-CD1 4.4Å; L501-F640 HydrophobicContact CD1-CD2 4.44Å; L501-F640 HydrophobicContact CD1-CE1 3.92Å; L501-F640 HydrophobicContact CD1-CE2 3.95Å; L501-F640 HydrophobicContact CD1-CZ 3.68Å; L501-F640 HydrophobicContact CD2-CE2 3.99Å; L501-F640 HydrophobicContact CD2-CZ 3.72Å; L501-F640 HydrophobicContact CG-CE1 4.07Å; L501-F640 HydrophobicContact CG-CE2 4.21Å; L501-F640 HydrophobicContact CG-CZ 3.62Å; L509-F640 HydrophobicContact CD1-CB 3.97Å; L509-F640 HydrophobicContact CD1-CD2 4.23Å; L509-F640 HydrophobicContact CD1-CG 4.37Å; L509-F640 HydrophobicContact CD2-CB 3.56Å; L509-F640 HydrophobicContact CD2-CD1 4.04Å; L509-F640 HydrophobicContact CD2-CD2 3.95Å; L509-F640 HydrophobicContact CD2-CG 3.58Å; L509-F640 HydrophobicContact CG-CB 4.38Å; L539-F640 HydrophobicContact CD2-CB 4.45Å; L539-F640 HydrophobicContact CD2-CD1 4.44Å; A544-F640 HydrophobicContact CB-CE1 4.11Å; C632-F640 WeakPolarHBondContact CA-O 3.4Å; L633-F640 PolarHBondContact N-O 2.69Å; L633-F640 VanDerWaalsContact N-O 3.08Å; L633-F640 PolarHBondContact O-N 2.58Å; Y635-F640 WeakPolarHBondContact O-CE2 3.35Å; T638-F640 HydrophobicContact CG2-CD2 4.37Å; T638-F640 HydrophobicContact CG2-CE1 3.93Å; T638-F640 HydrophobicContact CG2-CE2 3.78Å; T638-F640 HydrophobicContact CG2-CZ 3.52Å; T638-F640 VanDerWaalsContact O-CD2 3.23Å; T638-F640 WeakPolarHBondContact O-CD2 3.41Å; T638-F640 WeakPolarHBondContact O-CE2 3.33Å; F640-V642 PolarHBondContact O-N 2.77Å |
| 641 | P | 91.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 18.5 Ų | 18.5 | 20% | 0.195 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 111.1 | 164.2 | 27.1 | -33 | 0 | 0 | 0 | 110.2 | N540 S543 T630 | N540-P641 HydrophobicContact CB-CB 4.11Å; N540-P641 HydrophobicContact CB-CG 3.71Å; N540-P641 PolarHBondContact N-O 3.45Å; N540-P641 VanDerWaalsContact N-O 3.12Å; S543-P641 VanDerWaalsContact OG-CD 3.32Å; S543-P641 WeakPolarHBondContact OG-CD 3.19Å; S543-P641 WeakPolarHBondContact OG-CG 3.2Å; T630-P641 HydrophobicContact CG2-CB 4.16Å |
| 642 | V | 92.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.8 | 175.1 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | L509 I510 S513 A537 L539 T630 V631 F640 I644 | L509-V642 HydrophobicContact CD1-CG2 4.33Å; L509-V642 HydrophobicContact CD2-CG2 4.21Å; L509-V642 HydrophobicContact CG-CG2 4.08Å; I510-V642 HydrophobicContact CD1-CG1 3.6Å; I510-V642 HydrophobicContact CD1-CG2 4.42Å; S513-V642 WeakPolarHBondContact OG-CG2 3.36Å; A537-V642 HydrophobicContact CB-CG1 4.18Å; L539-V642 HydrophobicContact CD2-CG2 4.03Å; T630-V642 CarbonylContact C-O 3.55Å; T630-V642 VanDerWaalsContact CA-O 3.29Å; T630-V642 WeakPolarHBondContact CA-O 3.2Å; V631-V642 PolarHBondContact N-O 2.97Å; V631-V642 PolarHBondContact O-N 3.21Å; F640-V642 PolarHBondContact O-N 2.77Å; V642-I644 HydrophobicContact CG1-CD1 4.07Å; V642-I644 HydrophobicContact CG1-CG1 3.83Å |
| 643 | E | 91.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.2 | 170.3 | -64.1 | -170.9 | 170.2 | 0 | 0 | 108.9 | A537 S538 N540 N629 R653 | A537-E643 CarbonylContact C-O 3.59Å; A537-E643 WeakPolarHBondContact CA-O 3.27Å; S538-E643 PolarHBondContact N-O 2.73Å; S538-E643 PolarHBondContact O-N 2.84Å; N540-E643 PolarHBondContact ND2-OE1 2.82Å; N629-E643 CarbonylContact O-C 3.57Å; N629-E643 WeakPolarHBondContact O-CA 3.31Å; E643-R653 VanDerWaalsContact CD-NH2 3.27Å; E643-R653 IonicContact OE1-NH2 3.26Å; E643-R653 PolarHBondContact OE1-NH2 3.44Å; E643-R653 IonicContact OE2-CZ 3.75Å; E643-R653 IonicContact OE2-NE 3.05Å; E643-R653 IonicContact OE2-NH2 2.85Å; E643-R653 PolarHBondContact OE2-NH2 3.06Å |
| 644 | I | 93.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 128.6 | -178.9 | -58.8 | 170.4 | 0 | 0 | 0 | 108.8 | S513 F517 L535 V536 A537 N629 V631 V642 | S513-I644 VanDerWaalsContact O-CD1 3.29Å; S513-I644 WeakPolarHBondContact O-CD1 3.29Å; F517-I644 HydrophobicContact CB-CB 4.45Å; F517-I644 HydrophobicContact CB-CD1 4.13Å; F517-I644 HydrophobicContact CB-CG2 3.94Å; F517-I644 HydrophobicContact CD1-CG2 4.02Å; F517-I644 HydrophobicContact CD2-CB 3.87Å; F517-I644 HydrophobicContact CD2-CG2 3.69Å; F517-I644 HydrophobicContact CE1-CG2 4.49Å; F517-I644 HydrophobicContact CE2-CB 4.39Å; F517-I644 HydrophobicContact CE2-CG2 4.16Å; F517-I644 WeakPolarHBondContact CE2-O 3.3Å; F517-I644 HydrophobicContact CG-CB 4.22Å; F517-I644 HydrophobicContact CG-CG2 3.6Å; L535-I644 HydrophobicContact CB-CG2 4.2Å; L535-I644 HydrophobicContact CD1-CG2 3.91Å; L535-I644 HydrophobicContact CG-CG2 4.45Å; V536-I644 WeakPolarHBondContact O-CA 3.28Å; A537-I644 HydrophobicContact CB-CG1 4.09Å; N629-I644 CarbonylContact C-O 3.47Å; N629-I644 VanDerWaalsContact CA-O 3.24Å; N629-I644 WeakPolarHBondContact CA-O 3.46Å; N629-I644 PolarHBondContact O-N 3.38Å; N629-I644 VanDerWaalsContact O-O 3.12Å; V631-I644 HydrophobicContact CB-CD1 4.35Å; V631-I644 HydrophobicContact CG2-CD1 4.07Å; V642-I644 HydrophobicContact CG1-CD1 4.07Å; V642-I644 HydrophobicContact CG1-CG1 3.83Å |
| 645 | M | 91 | Very high | 87.7 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 164.8 | 175.8 | 62 | -164.4 | 80 | 0 | 0 | 111.1 | L535 V536 A649 A650 R653 | L535-M645 CarbonylContact C-O 3.58Å; L535-M645 VanDerWaalsContact CA-O 3.23Å; L535-M645 WeakPolarHBondContact CA-O 3.45Å; V536-M645 PolarHBondContact N-O 2.81Å; V536-M645 PolarHBondContact O-N 3.09Å; V536-M645 VanDerWaalsContact O-N 3.08Å; M645-A649 HydrophobicContact CB-CB 4.06Å; M645-A649 HydrophobicContact CG-CB 4.24Å; M645-A649 HydrophobicContact SD-CB 4.31Å; M645-A650 HydrophobicContact CG-CB 3.69Å; M645-A650 WeakPolarHBondContact SD-CA 3.45Å; M645-A650 HydrophobicContact SD-CB 3.95Å; M645-A650 PolarHBondContact SD-N 3.45Å; M645-A650 VanDerWaalsContact SD-N 3.42Å; M645-R653 HydrophobicContact SD-CB 4.33Å |
| 646 | N | 90.1 | Very high | 86.9 | Confident | 79 Ų | 79 | 32.9 Ų | 32.9 | 42% | 0.422 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 154.4 | 171.1 | 67.7 | 45.1 | 0 | 0 | 0 | 110.5 | D534 T648 A649 A650 | D534-N646 WeakPolarHBondContact O-CA 3.13Å; N646-T648 PolarHBondContact O-N 2.81Å; N646-T648 PolarHBondContact OD1-N 2.79Å; N646-A649 PolarHBondContact O-N 2.84Å; N646-A649 WeakPolarHBondContact OD1-CB 3.11Å; N646-A649 PolarHBondContact OD1-N 3.31Å; N646-A650 PolarHBondContact O-N 3.21Å |
| 647 | T | 86 | Confident | 85.9 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.4 | -39 | -177.3 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | D534 V536 R555 A650 W651 | D534-T647 HydrophobicContact CB-CG2 4.33Å; D534-T647 PolarHBondContact O-N 2.98Å; D534-T647 VanDerWaalsContact OD1-CG2 3.24Å; D534-T647 WeakPolarHBondContact OD1-CG2 3.17Å; D534-T647 WeakPolarHBondContact OD2-CG2 3.27Å; D534-T647 PolarHBondContact OD2-OG1 2.88Å; V536-T647 HydrophobicContact CG2-CG2 3.76Å; R555-T647 HydrophobicContact CG-CG2 4.47Å; T647-A650 PolarHBondContact O-N 2.97Å; T647-W651 WeakPolarHBondContact O-CB 3.32Å; T647-W651 PolarHBondContact O-N 3.41Å |
| 648 | T | 84.8 | Confident | 84.8 | Confident | 54 Ų | 54 | 42 Ų | 42 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | V583 N646 W651 F652 | V583-T648 HydrophobicContact CG1-CG2 3.82Å; N646-T648 PolarHBondContact O-N 2.81Å; N646-T648 PolarHBondContact OD1-N 2.79Å; T648-W651 WeakPolarHBondContact O-CB 3.46Å; T648-W651 PolarHBondContact O-N 2.8Å; T648-F652 HydrophobicContact CG2-CD2 3.85Å; T648-F652 HydrophobicContact CG2-CE2 3.52Å; T648-F652 WeakPolarHBondContact O-CD2 3.03Å; T648-F652 PolarHBondContact O-N 2.92Å |
| 649 | A | 86.8 | Confident | 83.5 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.4 | -38.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M645 N646 W651 F652 R653 | M645-A649 HydrophobicContact CB-CB 4.06Å; M645-A649 HydrophobicContact CG-CB 4.24Å; M645-A649 HydrophobicContact SD-CB 4.31Å; N646-A649 PolarHBondContact O-N 2.84Å; N646-A649 WeakPolarHBondContact OD1-CB 3.11Å; N646-A649 PolarHBondContact OD1-N 3.31Å; A649-W651 VanDerWaalsContact C-N 3.27Å; A649-W651 PolarHBondContact O-N 3.34Å; A649-F652 PolarHBondContact O-N 3.37Å; A649-R653 WeakPolarHBondContact O-CB 3.41Å; A649-R653 PolarHBondContact O-N 3.44Å |
| 650 | A | 85.2 | Confident | 82.1 | Confident | 6 Ų | 6 | 50 Ų | 50 | 5% | 0.05 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V536 W572 M645 N646 T647 R653 A654 | V536-A650 HydrophobicContact CB-CB 3.63Å; V536-A650 HydrophobicContact CG1-CB 4.07Å; V536-A650 HydrophobicContact CG2-CB 3.7Å; W572-A650 HydrophobicContact CH2-CB 3.9Å; W572-A650 HydrophobicContact CZ2-CB 4.18Å; W572-A650 HydrophobicContact CZ3-CB 4.37Å; M645-A650 HydrophobicContact CG-CB 3.69Å; M645-A650 WeakPolarHBondContact SD-CA 3.45Å; M645-A650 HydrophobicContact SD-CB 3.95Å; M645-A650 PolarHBondContact SD-N 3.45Å; M645-A650 VanDerWaalsContact SD-N 3.42Å; N646-A650 PolarHBondContact O-N 3.21Å; T647-A650 PolarHBondContact O-N 2.97Å; A650-R653 PolarHBondContact O-N 2.91Å; A650-A654 WeakPolarHBondContact O-CB 3.39Å; A650-A654 PolarHBondContact O-N 3.38Å |
| 651 | W | 80.9 | Confident | 80.7 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.049 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -53.4 | 174.3 | -173.5 | 93.6 | 0 | 0 | 0 | 112 | P575 I578 V583 T647 T648 A649 R653 A654 A655 Y656 | P575-W651 VanDerWaalsContact CG-NE1 3.34Å; I578-W651 HydrophobicContact CB-CZ2 4.49Å; I578-W651 HydrophobicContact CG2-CH2 3.63Å; I578-W651 HydrophobicContact CG2-CZ2 4Å; V583-W651 HydrophobicContact CG2-CD2 4.47Å; V583-W651 HydrophobicContact CG2-CE3 4.29Å; V583-W651 HydrophobicContact CG2-CH2 4.41Å; V583-W651 HydrophobicContact CG2-CZ3 4.26Å; T647-W651 WeakPolarHBondContact O-CB 3.32Å; T647-W651 PolarHBondContact O-N 3.41Å; T648-W651 WeakPolarHBondContact O-CB 3.46Å; T648-W651 PolarHBondContact O-N 2.8Å; A649-W651 VanDerWaalsContact C-N 3.27Å; A649-W651 PolarHBondContact O-N 3.34Å; W651-R653 VanDerWaalsContact C-N 3.32Å; W651-R653 PolarHBondContact O-N 3.06Å; W651-A654 PolarHBondContact O-N 3.49Å; W651-A655 HydrophobicContact CZ3-CB 4.48Å; W651-A655 VanDerWaalsContact O-CB 3.28Å; W651-A655 WeakPolarHBondContact O-CB 3.35Å; W651-A655 PolarHBondContact O-N 2.99Å; W651-Y656 HydrophobicContact CH2-CE2 4.31Å; W651-Y656 AromaticContact CZ3-CE2 3.86Å; W651-Y656 HydrophobicContact CZ3-CE2 3.86Å |
| 652 | F | 82.1 | Confident | 79.1 | Confident | 98 Ų | 98 | 67 Ų | 67 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 180 | -78.1 | -64.4 | 0 | 0 | 0 | 112.6 | T648 A649 A655 Y656 | T648-F652 HydrophobicContact CG2-CD2 3.85Å; T648-F652 HydrophobicContact CG2-CE2 3.52Å; T648-F652 WeakPolarHBondContact O-CD2 3.03Å; T648-F652 PolarHBondContact O-N 2.92Å; A649-F652 PolarHBondContact O-N 3.37Å; F652-A655 PolarHBondContact O-N 3.43Å; F652-Y656 AromaticContact CD1-CD2 3.92Å; F652-Y656 HydrophobicContact CD1-CD2 3.92Å; F652-Y656 AromaticContact CD1-CE2 3.78Å; F652-Y656 HydrophobicContact CD1-CE2 3.78Å; F652-Y656 HydrophobicContact CE1-CE2 4.27Å; F652-Y656 WeakPolarHBondContact O-CB 3.24Å; F652-Y656 WeakPolarHBondContact O-CD2 3.3Å; F652-Y656 PolarHBondContact O-N 2.99Å |
| 653 | R | 79.6 | Confident | 77.6 | Confident | 52 Ų | 52 | 72 Ų | 72 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 176.7 | 179.3 | 177.4 | 170.3 | 101.7 | -13.6 | 111 | E643 M645 A649 A650 W651 A655 M657 | E643-R653 VanDerWaalsContact CD-NH2 3.27Å; E643-R653 IonicContact OE1-NH2 3.26Å; E643-R653 PolarHBondContact OE1-NH2 3.44Å; E643-R653 IonicContact OE2-CZ 3.75Å; E643-R653 IonicContact OE2-NE 3.05Å; E643-R653 IonicContact OE2-NH2 2.85Å; E643-R653 PolarHBondContact OE2-NH2 3.06Å; M645-R653 HydrophobicContact SD-CB 4.33Å; A649-R653 WeakPolarHBondContact O-CB 3.41Å; A649-R653 PolarHBondContact O-N 3.44Å; A650-R653 PolarHBondContact O-N 2.91Å; W651-R653 VanDerWaalsContact C-N 3.32Å; W651-R653 PolarHBondContact O-N 3.06Å; R653-A655 VanDerWaalsContact C-N 3.29Å; R653-A655 PolarHBondContact O-N 3.31Å; R653-M657 HydrophobicContact CG-CB 3.99Å; R653-M657 HydrophobicContact CG-SD 3.71Å; R653-M657 PolarHBondContact NH1-SD 3.05Å; R653-M657 WeakPolarHBondContact O-CB 3.44Å; R653-M657 PolarHBondContact O-N 2.73Å |
| 654 | A | 72.8 | Confident | 76.4 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W572 P574 A650 W651 | W572-A654 HydrophobicContact CH2-CB 4.46Å; P574-A654 HydrophobicContact CB-CB 3.48Å; P574-A654 VanDerWaalsContact CB-CB 3.48Å; P574-A654 HydrophobicContact CG-CB 4.32Å; A650-A654 WeakPolarHBondContact O-CB 3.39Å; A650-A654 PolarHBondContact O-N 3.38Å; W651-A654 PolarHBondContact O-N 3.49Å |
| 655 | A | 73.3 | Confident | 75.3 | Confident | 27 Ų | 27 | 82.6 Ų | 82.6 | 22% | 0.223 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -76.4 | -33.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | I578 W651 F652 R653 | I578-A655 HydrophobicContact CD1-CB 3.81Å; I578-A655 HydrophobicContact CG1-CB 3.94Å; I578-A655 HydrophobicContact CG2-CB 4.25Å; W651-A655 HydrophobicContact CZ3-CB 4.48Å; W651-A655 VanDerWaalsContact O-CB 3.28Å; W651-A655 WeakPolarHBondContact O-CB 3.35Å; W651-A655 PolarHBondContact O-N 2.99Å; F652-A655 PolarHBondContact O-N 3.43Å; R653-A655 VanDerWaalsContact C-N 3.29Å; R653-A655 PolarHBondContact O-N 3.31Å |
| 656 | Y | 77.3 | Confident | 74.3 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 50% | 0.502 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -131.5 | -9.8 | -165.8 | -59.9 | -75.3 | 0 | 0 | 0 | 115.7 | I578 W651 F652 P658 | I578-Y656 HydrophobicContact CG2-CE1 4.24Å; I578-Y656 HydrophobicContact CG2-CE2 4.05Å; I578-Y656 WeakPolarHBondContact CG2-OH 3.41Å; W651-Y656 HydrophobicContact CH2-CE2 4.31Å; W651-Y656 AromaticContact CZ3-CE2 3.86Å; W651-Y656 HydrophobicContact CZ3-CE2 3.86Å; F652-Y656 AromaticContact CD1-CD2 3.92Å; F652-Y656 HydrophobicContact CD1-CD2 3.92Å; F652-Y656 AromaticContact CD1-CE2 3.78Å; F652-Y656 HydrophobicContact CD1-CE2 3.78Å; F652-Y656 HydrophobicContact CE1-CE2 4.27Å; F652-Y656 WeakPolarHBondContact O-CB 3.24Å; F652-Y656 WeakPolarHBondContact O-CD2 3.3Å; F652-Y656 PolarHBondContact O-N 2.99Å; Y656-P658 WeakPolarHBondContact O-CD 3.44Å |
| 657 | M | 74.2 | Confident | 73.8 | Confident | 109 Ų | 109 | 79.5 Ų | 79.5 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 119.6 | -178.4 | -167.7 | 169.8 | -168.3 | 0 | 0 | 110.5 | R653 | R653-M657 HydrophobicContact CG-CB 3.99Å; R653-M657 HydrophobicContact CG-SD 3.71Å; R653-M657 PolarHBondContact NH1-SD 3.05Å; R653-M657 WeakPolarHBondContact O-CB 3.44Å; R653-M657 PolarHBondContact O-N 2.73Å |
| 658 | P | 70.4 | Confident | 73.8 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 66% | 0.656 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 151 | 176.2 | 28.1 | -33.9 | 0 | 0 | 0 | 110.7 | Y656 | Y656-P658 WeakPolarHBondContact O-CD 3.44Š|
| 659 | P | 66.6 | Low | 74 | Confident | 114 Ų | 114 | 78 Ų | 78 | 74% | 0.74 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63 | 150.9 | 176.1 | 26.6 | -33.9 | 0 | 0 | 0 | 111.3 | ||
| 660 | P | 61.6 | Low | 74.1 | Confident | 95 Ų | 95 | 79.2 Ų | 79.2 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 141.9 | 174.5 | -21.8 | 32 | 0 | 0 | 0 | 111.8 | V662 | P660-V662 PolarHBondContact O-N 3.18Š|
| 661 | R | 63.1 | Low | 74.2 | Confident | 242 Ų | 242 | 79 Ų | 79 | 91% | 0.913 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 128.6 | 171.4 | -71 | -177.3 | 179.2 | 168.3 | 0.1 | 109.4 | ||
| 662 | V | 58.6 | Low | 74.1 | Confident | 144 Ų | 144 | 80.1 Ų | 80.1 | 87% | 0.873 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 121.8 | 171.8 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | P660 | P660-V662 PolarHBondContact O-N 3.18Š|
| 663 | I | 60.5 | Low | 73.9 | Confident | 106 Ų | 106 | 75.6 Ų | 75.6 | 54% | 0.544 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 132.6 | 172.6 | -60.8 | 172.1 | 0 | 0 | 0 | 108.1 | Y665 | I663-Y665 HydrophobicContact CB-CD2 4.42Å; I663-Y665 HydrophobicContact CB-CE2 3.9Å; I663-Y665 HydrophobicContact CG2-CD2 4.45Å; I663-Y665 HydrophobicContact CG2-CE1 4.28Å; I663-Y665 HydrophobicContact CG2-CE2 4.17Å; I663-Y665 WeakPolarHBondContact O-CD2 3.29Å; I663-Y665 PolarHBondContact O-N 3.22Å |
| 664 | D | 65.5 | Low | 74.1 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 52% | 0.519 | 40% | 0.399 | S | S | . | . | trans | -82.3 | 91.5 | 176.1 | 179.6 | 15.7 | 0 | 0 | 0 | 111 | G666 | D664-G666 PolarHBondContact O-N 2.8Å; D664-G666 WeakPolarHBondContact OD1-CA 3.39Å; D664-G666 PolarHBondContact OD1-N 2.84Å | ||
| 665 | Y | 70.1 | Confident | 74.6 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -73.6 | -4.1 | 173 | -64.1 | -80.5 | 0 | 0 | 0 | 113.2 | I663 S667 I668 I670 | I663-Y665 HydrophobicContact CB-CD2 4.42Å; I663-Y665 HydrophobicContact CB-CE2 3.9Å; I663-Y665 HydrophobicContact CG2-CD2 4.45Å; I663-Y665 HydrophobicContact CG2-CE1 4.28Å; I663-Y665 HydrophobicContact CG2-CE2 4.17Å; I663-Y665 WeakPolarHBondContact O-CD2 3.29Å; I663-Y665 PolarHBondContact O-N 3.22Å; Y665-S667 VanDerWaalsContact C-N 3.26Å; Y665-S667 PolarHBondContact O-N 3.35Å; Y665-I668 HydrophobicContact CD1-CD1 4.16Å; Y665-I668 PolarHBondContact O-N 2.89Å; Y665-I670 HydrophobicContact CD1-CD1 4.46Å; Y665-I670 HydrophobicContact CE1-CD1 4.47Å |
| 666 | G | 70.2 | Confident | 75.3 | Confident | 20 Ų | 20 | 74 Ų | 74 | 21% | 0.206 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -68.8 | -21.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D664 S709 R710 | D664-G666 PolarHBondContact O-N 2.8Å; D664-G666 WeakPolarHBondContact OD1-CA 3.39Å; D664-G666 PolarHBondContact OD1-N 2.84Å; G666-S709 PolarHBondContact O-OG 3.03Å; G666-S709 VanDerWaalsContact O-OG 3.04Å; G666-R710 WeakPolarHBondContact O-CD 3.41Å; G666-R710 WeakPolarHBondContact O-CG 3.36Å |
| 667 | S | 80.6 | Confident | 75.7 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -99.8 | -0.4 | -178.4 | 53 | 0 | 0 | 0 | 0 | 114.2 | Y665 L734 | Y665-S667 VanDerWaalsContact C-N 3.26Å; Y665-S667 PolarHBondContact O-N 3.35Å; S667-L734 PolarHBondContact O-N 3.43Å |
| 668 | I | 86.9 | Confident | 76.1 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.7 | -177.4 | 56.3 | 173.5 | 0 | 0 | 0 | 111.2 | Y665 I670 I730 E733 | Y665-I668 HydrophobicContact CD1-CD1 4.16Å; Y665-I668 PolarHBondContact O-N 2.89Å; I668-I670 HydrophobicContact CD1-CG2 4Å; I668-I670 HydrophobicContact CG1-CG2 4.35Å; I668-I730 HydrophobicContact CB-CG2 4.3Å; I668-I730 HydrophobicContact CG2-CG2 4.28Å; I668-E733 HydrophobicContact CG2-CG 4.23Å |
| 669 | C | 87.6 | Confident | 77 | Confident | 16 Ų | 16 | 66.4 Ų | 66.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.8 | 166.8 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | L694 L731 V732 | C669-L694 HydrophobicContact CB-CD1 3.86Å; C669-L731 PolarHBondContact O-N 3.45Å; C669-V732 HydrophobicContact CB-CB 4.01Å; C669-V732 PolarHBondContact N-O 3.48Å; C669-V732 PolarHBondContact O-N 3Å |
| 670 | I | 89.3 | Confident | 78.1 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 149.6 | 177.6 | 60.4 | 174 | 0 | 0 | 0 | 110.6 | Y665 I668 P672 D729 I730 | Y665-I670 HydrophobicContact CD1-CD1 4.46Å; Y665-I670 HydrophobicContact CE1-CD1 4.47Å; I668-I670 HydrophobicContact CD1-CG2 4Å; I668-I670 HydrophobicContact CG1-CG2 4.35Å; I670-P672 WeakPolarHBondContact O-CD 3.4Å; I670-D729 CarbonylContact C-O 3.59Å; I670-D729 VanDerWaalsContact CA-O 3.32Å; I670-D729 WeakPolarHBondContact CA-O 3.38Å; I670-I730 HydrophobicContact CG2-CG1 4.17Å |
| 671 | A | 86.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -66.3 | 117.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M673 L697 V725 S726 G728 D729 L731 | A671-M673 PolarHBondContact O-N 3.4Å; A671-L697 HydrophobicContact CB-CD1 4.19Å; A671-V725 HydrophobicContact CB-CB 4.26Å; A671-V725 HydrophobicContact CB-CG2 4.04Å; A671-S726 WeakPolarHBondContact CB-O 3.44Å; A671-G728 PolarHBondContact O-N 3.14Å; A671-D729 HydrophobicContact CB-CB 4.37Å; A671-D729 PolarHBondContact N-O 3.49Å; A671-L731 HydrophobicContact CB-CD1 3.93Å; A671-L731 HydrophobicContact CB-CD2 4.16Å; A671-L731 HydrophobicContact CB-CG 4.02Å | ||
| 672 | P | 80 | Confident | 80.7 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 24% | 0.24 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.5 | -17 | -179 | 32.8 | -37.2 | 0 | 0 | 0 | 112.3 | L395 I670 L706 | L395-P672 HydrophobicContact CD2-CB 3.87Å; L395-P672 HydrophobicContact CD2-CG 4.42Å; L395-P672 WeakPolarHBondContact CD2-O 3.41Å; I670-P672 WeakPolarHBondContact O-CD 3.4Å; P672-L706 HydrophobicContact CG-CD2 3.85Å |
| 673 | M | 78 | Confident | 82.4 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -150.3 | 161.2 | 179.1 | 60.2 | 179.5 | -173.4 | 0 | 0 | 110.2 | L395 P396 A671 L697 A699 N704 | L395-M673 HydrophobicContact CD1-CB 4.33Å; L395-M673 HydrophobicContact CD1-CE 4.45Å; L395-M673 HydrophobicContact CD1-CG 4.06Å; L395-M673 HydrophobicContact CD1-SD 3.44Å; L395-M673 WeakPolarHBondContact CD1-SD 3.25Å; L395-M673 HydrophobicContact CD2-CB 3.72Å; L395-M673 HydrophobicContact CD2-CG 4.27Å; L395-M673 HydrophobicContact CG-CB 3.87Å; L395-M673 HydrophobicContact CG-CG 4.17Å; L395-M673 HydrophobicContact CG-SD 3.82Å; P396-M673 HydrophobicContact CG-SD 4.29Å; A671-M673 PolarHBondContact O-N 3.4Å; M673-L697 HydrophobicContact CE-CB 4.39Å; M673-A699 HydrophobicContact CE-CB 3.61Å; M673-A699 HydrophobicContact SD-CB 4.04Å; M673-N704 HydrophobicContact CE-CB 4.19Å |
| 674 | P | 82.6 | Confident | 84 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -65.9 | 144.5 | 165.4 | -18 | 34.6 | 0 | 0 | 0 | 111.2 | I398 V725 E727 | I398-P674 HydrophobicContact CD1-CB 3.42Å; I398-P674 VanDerWaalsContact CD1-CB 3.42Å; I398-P674 HydrophobicContact CD1-CG 3.75Å; I398-P674 HydrophobicContact CG1-CB 3.88Å; I398-P674 HydrophobicContact CG1-CG 3.71Å; P674-V725 WeakPolarHBondContact CA-O 3.43Å; P674-E727 HydrophobicContact CG-CB 4.3Å |
| 675 | G | 84.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -173.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S724 V725 | G675-S724 WeakPolarHBondContact O-CA 3.44Å; G675-V725 PolarHBondContact N-O 3.42Å; G675-V725 VanDerWaalsContact N-O 3.09Å; G675-V725 WeakPolarHBondContact O-CG2 3.45Å; G675-V725 PolarHBondContact O-N 2.98Å |
| 676 | L | 86.8 | Confident | 86.2 | Confident | 62 Ų | 62 | 45 Ų | 45 | 33% | 0.325 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.9 | 173.3 | -70.5 | 167 | 0 | 0 | 0 | 109.7 | I427 R678 L697 E698 G723 S724 | I427-L676 HydrophobicContact CD1-CD1 4.41Å; I427-L676 HydrophobicContact CD1-CG 4.3Å; L676-R678 PolarHBondContact O-N 3.29Å; L676-R678 VanDerWaalsContact O-N 3.08Å; L676-L697 CarbonylContact O-C 3.57Å; L676-L697 WeakPolarHBondContact O-CA 3.36Å; L676-E698 PolarHBondContact N-O 2.97Å; L676-E698 PolarHBondContact O-N 3.41Å; L676-G723 WeakPolarHBondContact CA-O 3.33Å; L676-S724 WeakPolarHBondContact CD2-OG 3.5Å |
| 677 | V | 86.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.018 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 104.4 | 171.2 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | I680 L697 F719 A721 G722 G723 V725 | V677-I680 HydrophobicContact CG1-CD1 4Å; V677-I680 HydrophobicContact CG1-CG1 3.56Å; V677-L697 HydrophobicContact CB-CD2 4.34Å; V677-L697 HydrophobicContact CG2-CD2 3.76Å; V677-F719 HydrophobicContact CG2-CB 4.04Å; V677-A721 CarbonylContact O-C 3.5Å; V677-A721 WeakPolarHBondContact O-CA 3.36Å; V677-G722 PolarHBondContact O-N 3.24Å; V677-G723 PolarHBondContact N-O 3.14Å; V677-V725 HydrophobicContact CG2-CG1 3.6Å |
| 678 | R | 83 | Confident | 87.7 | Confident | 134 Ų | 134 | 53.8 Ų | 53.8 | 51% | 0.506 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -47.7 | 179.8 | -170.4 | -179.4 | -169.5 | -143.5 | -6.6 | 110.8 | L676 I696 E698 | L676-R678 PolarHBondContact O-N 3.29Å; L676-R678 VanDerWaalsContact O-N 3.08Å; R678-I696 HydrophobicContact CB-CB 4.4Å; R678-I696 HydrophobicContact CB-CG2 4.25Å; R678-I696 WeakPolarHBondContact CB-O 3.38Å; R678-I696 PolarHBondContact N-O 2.92Å; R678-E698 HydrophobicContact CB-CB 4.18Å; R678-E698 WeakPolarHBondContact CD-OE2 3.39Å; R678-E698 IonicContact NE-OE2 3.71Å |
| 679 | S | 87.9 | Confident | 87.6 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.2 | -179.6 | 57.9 | 0 | 0 | 0 | 0 | 110.7 | C695 I696 | S679-C695 WeakPolarHBondContact O-CA 3.47Å; S679-C695 VanDerWaalsContact O-CB 3.3Å; S679-C695 WeakPolarHBondContact O-CB 3.27Å; S679-I696 PolarHBondContact N-O 2.78Å; S679-I696 PolarHBondContact O-N 3.19Å |
| 680 | I | 90 | Very high | 87.6 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 123.6 | 170.8 | -58 | -178.3 | 0 | 0 | 0 | 106.4 | V677 V682 C695 V717 F719 | V677-I680 HydrophobicContact CG1-CD1 4Å; V677-I680 HydrophobicContact CG1-CG1 3.56Å; I680-V682 HydrophobicContact CG2-CG2 4.18Å; I680-V682 VanDerWaalsContact CG2-O 3.31Å; I680-V682 WeakPolarHBondContact CG2-O 3.24Å; I680-C695 HydrophobicContact CG1-CB 4.22Å; I680-V717 HydrophobicContact CD1-CG1 3.74Å; I680-V717 HydrophobicContact CG2-CG1 3.98Å; I680-F719 WeakPolarHBondContact CD1-O 3.4Å |
| 681 | A | 89.5 | Confident | 87.2 | Confident | 59 Ų | 59 | 58.7 Ų | 58.7 | 49% | 0.488 | 32% | 0.324 | S | S | . | . | trans | -88.5 | -12.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | E693 L694 | A681-E693 HydrophobicContact CB-CG 4.4Å; A681-L694 PolarHBondContact N-O 2.79Å | ||
| 682 | V | 90.6 | Very high | 87.3 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.042 | 34% | 0.344 | C | S | . | . | trans | -125.3 | 156.1 | -171.1 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | I680 V688 L694 I714 V717 | I680-V682 HydrophobicContact CG2-CG2 4.18Å; I680-V682 VanDerWaalsContact CG2-O 3.31Å; I680-V682 WeakPolarHBondContact CG2-O 3.24Å; V682-V688 HydrophobicContact CG1-CG1 3.72Å; V682-L694 HydrophobicContact CG1-CD2 3.82Å; V682-L694 HydrophobicContact CG2-CB 4.42Å; V682-L694 HydrophobicContact CG2-CD2 4.13Å; V682-I714 HydrophobicContact CB-CD1 4.27Å; V682-I714 HydrophobicContact CB-CG1 4.13Å; V682-I714 HydrophobicContact CG2-CD1 3.98Å; V682-I714 HydrophobicContact CG2-CG1 4.26Å; V682-V717 HydrophobicContact CG2-CG2 4.33Å | ||
| 683 | K | 93.5 | Very high | 87.7 | Confident | 158 Ų | 158 | 64.6 Ų | 64.6 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | trans | -123 | 159 | 174.2 | -61.6 | 175.9 | -173.8 | 172.7 | 0 | 110.2 | G685 D686 I714 | K683-G685 PolarHBondContact O-N 2.91Å; K683-D686 PolarHBondContact N-OD2 2.89Å; K683-D686 VanDerWaalsContact O-CB 3.32Å; K683-D686 WeakPolarHBondContact O-CB 3.46Å; K683-D686 PolarHBondContact O-N 2.78Å; K683-D686 VanDerWaalsContact O-N 3.08Å; K683-I714 WeakPolarHBondContact O-CB 3.45Å | ||
| 684 | V | 94.3 | Very high | 88.2 | Confident | 96 Ų | 96 | 64.5 Ų | 64.5 | 58% | 0.582 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 129.8 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | K715 V717 | V684-K715 WeakPolarHBondContact CG1-O 3.25Å; V684-V717 HydrophobicContact CG2-CG2 4.34Å |
| 685 | G | 91.6 | Very high | 88.5 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -11.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K683 I714 | K683-G685 PolarHBondContact O-N 2.91Å; G685-I714 PolarHBondContact N-O 3.48Å |
| 686 | D | 91.6 | Very high | 88.5 | Confident | 65 Ų | 65 | 64.5 Ų | 64.5 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | trans | -67 | 138.4 | 176.8 | -69.8 | -13.3 | 0 | 0 | 0 | 110.5 | K683 V713 I714 | K683-D686 PolarHBondContact N-OD2 2.89Å; K683-D686 VanDerWaalsContact O-CB 3.32Å; K683-D686 WeakPolarHBondContact O-CB 3.46Å; K683-D686 PolarHBondContact O-N 2.78Å; K683-D686 VanDerWaalsContact O-N 3.08Å; D686-V713 WeakPolarHBondContact O-CA 3.43Å; D686-I714 HydrophobicContact CB-CG1 4.28Å; D686-I714 WeakPolarHBondContact O-CG1 3.3Å; D686-I714 PolarHBondContact O-N 2.99Å | ||
| 687 | R | 91.1 | Very high | 88.3 | Confident | 213 Ų | 213 | 61.6 Ų | 61.6 | 80% | 0.804 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.4 | 165.8 | -85.7 | -178.4 | -173.7 | -128.8 | -0.5 | 109 | G712 V713 | R687-G712 WeakPolarHBondContact CA-O 3.46Å; R687-V713 HydrophobicContact CG-CG2 3.8Å |
| 688 | V | 89.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.3 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | V682 Q692 L694 A708 S711 G712 I714 L734 | V682-V688 HydrophobicContact CG1-CG1 3.72Å; V688-Q692 VanDerWaalsContact CA-OE1 3.27Å; V688-Q692 HydrophobicContact CB-CB 4.42Å; V688-L694 HydrophobicContact CB-CD2 4.37Å; V688-L694 HydrophobicContact CG1-CD2 3.95Å; V688-L694 HydrophobicContact CG2-CD2 4.3Å; V688-A708 HydrophobicContact CG2-CB 4.02Å; V688-S711 VanDerWaalsContact O-CA 3.27Å; V688-S711 WeakPolarHBondContact O-CA 3.48Å; V688-G712 PolarHBondContact N-O 3.05Å; V688-G712 PolarHBondContact O-N 2.85Å; V688-I714 HydrophobicContact CG1-CD1 3.85Å; V688-I714 HydrophobicContact CG1-CG1 3.87Å; V688-I714 HydrophobicContact CG2-CD1 3.92Å; V688-I714 HydrophobicContact CG2-CG1 4.39Å; V688-L734 HydrophobicContact CG2-CD2 3.6Å |
| 689 | G | 86.4 | Confident | 87.7 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -81.3 | 157.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G691 Q692 | G689-G691 PolarHBondContact O-N 2.91Å; G689-Q692 WeakPolarHBondContact O-CB 3.42Å; G689-Q692 PolarHBondContact O-N 2.96Å; G689-Q692 VanDerWaalsContact O-N 3.09Å | ||
| 690 | E | 85.7 | Confident | 86.9 | Confident | 145 Ų | 145 | 57 Ų | 57 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 134.5 | 166.6 | -174.2 | 177.5 | 164.6 | 0 | 0 | 110.4 | Q692 S711 | E690-Q692 PolarHBondContact O-N 2.8Å; E690-S711 PolarHBondContact N-OG 3.38Å |
| 691 | G | 82.5 | Confident | 85.6 | Confident | 48 Ų | 48 | 61 Ų | 61 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -4.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G689 T707 A708 | G689-G691 PolarHBondContact O-N 2.91Å; G691-T707 VanDerWaalsContact O-CG2 3.3Å; G691-T707 WeakPolarHBondContact O-CG2 3.38Å; G691-A708 PolarHBondContact N-O 3.45Å |
| 692 | Q | 86.9 | Confident | 84.5 | Confident | 88 Ų | 88 | 61.2 Ų | 61.2 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | trans | -69.1 | 136.4 | 175.7 | -174.5 | 174.8 | -21.7 | 0 | 0 | 111.1 | V688 G689 E690 L694 T707 A708 | V688-Q692 VanDerWaalsContact CA-OE1 3.27Å; V688-Q692 HydrophobicContact CB-CB 4.42Å; G689-Q692 WeakPolarHBondContact O-CB 3.42Å; G689-Q692 PolarHBondContact O-N 2.96Å; G689-Q692 VanDerWaalsContact O-N 3.09Å; E690-Q692 PolarHBondContact O-N 2.8Å; Q692-L694 PolarHBondContact O-N 2.95Å; Q692-T707 CarbonylContact O-C 3.59Å; Q692-T707 WeakPolarHBondContact O-CA 3.48Å; Q692-A708 PolarHBondContact O-N 3.05Å | ||
| 693 | E | 88.5 | Confident | 83.7 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 130.7 | 176.3 | -179.1 | 174.5 | 95.7 | 0 | 0 | 111.5 | A681 S705 | A681-E693 HydrophobicContact CB-CG 4.4Å; E693-S705 WeakPolarHBondContact CG-OG 3.24Å; E693-S705 VanDerWaalsContact OE2-CB 3.31Å; E693-S705 WeakPolarHBondContact OE2-CB 3.28Å; E693-S705 PolarHBondContact OE2-OG 2.9Å |
| 694 | L | 89.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -48.2 | 177.7 | -60.8 | -179.5 | 0 | 0 | 0 | 111.2 | C669 A681 V682 V688 Q692 L706 A708 I714 V732 | C669-L694 HydrophobicContact CB-CD1 3.86Å; A681-L694 PolarHBondContact N-O 2.79Å; V682-L694 HydrophobicContact CG1-CD2 3.82Å; V682-L694 HydrophobicContact CG2-CB 4.42Å; V682-L694 HydrophobicContact CG2-CD2 4.13Å; V688-L694 HydrophobicContact CB-CD2 4.37Å; V688-L694 HydrophobicContact CG1-CD2 3.95Å; V688-L694 HydrophobicContact CG2-CD2 4.3Å; Q692-L694 PolarHBondContact O-N 2.95Å; L694-L706 WeakPolarHBondContact CB-O 3.19Å; L694-L706 PolarHBondContact N-O 3.06Å; L694-A708 HydrophobicContact CD1-CB 4.09Å; L694-A708 HydrophobicContact CD2-CB 4.1Å; L694-A708 HydrophobicContact CG-CB 4.19Å; L694-I714 HydrophobicContact CD2-CD1 3.81Å; L694-V732 HydrophobicContact CB-CG2 4.34Å; L694-V732 HydrophobicContact CD1-CB 4.26Å; L694-V732 HydrophobicContact CD1-CG1 4.24Å |
| 695 | C | 87.7 | Confident | 82.1 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.02 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.8 | 178.9 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | S679 I680 L706 | S679-C695 WeakPolarHBondContact O-CA 3.47Å; S679-C695 VanDerWaalsContact O-CB 3.3Å; S679-C695 WeakPolarHBondContact O-CB 3.27Å; I680-C695 HydrophobicContact CG1-CB 4.22Å; C695-L706 PolarHBondContact N-O 3.39Å; C695-L706 PolarHBondContact O-N 3.4Å |
| 696 | I | 85.8 | Confident | 81.8 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.138 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 175.4 | -58.1 | 177.7 | 0 | 0 | 0 | 108 | R678 S679 Q703 N704 | R678-I696 HydrophobicContact CB-CB 4.4Å; R678-I696 HydrophobicContact CB-CG2 4.25Å; R678-I696 WeakPolarHBondContact CB-O 3.38Å; R678-I696 PolarHBondContact N-O 2.92Å; S679-I696 PolarHBondContact N-O 2.78Å; S679-I696 PolarHBondContact O-N 3.19Å; I696-Q703 HydrophobicContact CG2-CB 4Å; I696-Q703 HydrophobicContact CG2-CG 4.34Å; I696-N704 WeakPolarHBondContact CA-O 3.49Å |
| 697 | L | 83.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139.3 | 168.4 | -63.7 | -173.4 | 0 | 0 | 0 | 110 | A671 M673 L676 V677 Q703 N704 L706 V725 L731 | A671-L697 HydrophobicContact CB-CD1 4.19Å; M673-L697 HydrophobicContact CE-CB 4.39Å; L676-L697 CarbonylContact O-C 3.57Å; L676-L697 WeakPolarHBondContact O-CA 3.36Å; V677-L697 HydrophobicContact CB-CD2 4.34Å; V677-L697 HydrophobicContact CG2-CD2 3.76Å; L697-Q703 CarbonylContact O-C 3.45Å; L697-Q703 VanDerWaalsContact O-CA 3.3Å; L697-Q703 WeakPolarHBondContact O-CA 3.45Å; L697-N704 PolarHBondContact N-O 3.45Å; L697-N704 PolarHBondContact O-N 3.33Å; L697-L706 HydrophobicContact CD1-CD1 3.82Å; L697-L706 HydrophobicContact CG-CD1 3.95Å; L697-V725 HydrophobicContact CD1-CG2 4.09Å; L697-V725 HydrophobicContact CD2-CG2 3.89Å; L697-L731 HydrophobicContact CD1-CD1 4.15Å; L697-L731 HydrophobicContact CD2-CD1 4.32Å; L697-L731 HydrophobicContact CG-CD1 4.42Å |
| 698 | E | 80.5 | Confident | 81.4 | Confident | 74 Ų | 74 | 45.8 Ų | 45.8 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 124.6 | 172.4 | -176.2 | 173.2 | 169 | 0 | 0 | 109.5 | L676 R678 M702 Q703 | L676-E698 PolarHBondContact N-O 2.97Å; L676-E698 PolarHBondContact O-N 3.41Å; R678-E698 HydrophobicContact CB-CB 4.18Å; R678-E698 WeakPolarHBondContact CD-OE2 3.39Å; R678-E698 IonicContact NE-OE2 3.71Å; E698-M702 WeakPolarHBondContact CA-O 3.47Å; E698-Q703 HydrophobicContact CB-CG 4.24Å; E698-Q703 HydrophobicContact CG-CG 4.16Å |
| 699 | A | 76 | Confident | 81.1 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 137.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | M673 K701 M702 | M673-A699 HydrophobicContact CE-CB 3.61Å; M673-A699 HydrophobicContact SD-CB 4.04Å; A699-K701 VanDerWaalsContact C-N 3.29Å; A699-K701 PolarHBondContact O-N 2.64Å; A699-M702 PolarHBondContact N-O 3.45Å; A699-M702 WeakPolarHBondContact O-CA 3.45Å; A699-M702 PolarHBondContact O-N 2.75Å; A699-M702 VanDerWaalsContact O-O 3.11Å |
| 700 | M | 70 | Confident | 81 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 43.5 | 167.2 | -49.3 | -172 | 74.7 | 0 | 0 | 113 | P396 I398 I425 S426 I427 Y429 P431 M702 | P396-M700 HydrophobicContact CB-CB 4.14Å; P396-M700 HydrophobicContact CB-CG 4.02Å; P396-M700 HydrophobicContact CB-SD 3.26Å; P396-M700 WeakPolarHBondContact CB-SD 3.45Å; P396-M700 HydrophobicContact CG-CB 4.16Å; P396-M700 HydrophobicContact CG-SD 4.29Å; I398-M700 HydrophobicContact CG2-SD 3.68Å; I425-M700 HydrophobicContact CG2-CE 3.76Å; S426-M700 WeakPolarHBondContact O-CE 3.35Å; I427-M700 PolarHBondContact O-N 2.68Å; Y429-M700 WeakPolarHBondContact O-CA 3.23Å; Y429-M700 WeakPolarHBondContact O-CB 3.4Å; Y429-M700 WeakPolarHBondContact O-CE 3.4Å; P431-M700 HydrophobicContact CB-CE 3.23Å; P431-M700 HydrophobicContact CB-SD 4.17Å; P431-M700 HydrophobicContact CG-CB 4.41Å; P431-M700 HydrophobicContact CG-CE 3.5Å; P431-M700 HydrophobicContact CG-SD 4.12Å; M700-M702 PolarHBondContact O-N 3.38Å; M700-M702 VanDerWaalsContact O-N 3.15Å |
| 701 | K | 63.3 | Low | 81.1 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 57% | 0.574 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 0.1 | -175.3 | -53.4 | 177 | 178.9 | 173.6 | 0 | 115.9 | A699 | A699-K701 VanDerWaalsContact C-N 3.29Å; A699-K701 PolarHBondContact O-N 2.64Å |
| 702 | M | 66.1 | Low | 81.5 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 142.2 | 173.9 | -68.5 | -153.4 | -71.5 | 0 | 0 | 111.3 | P396 E698 A699 M700 | P396-M702 HydrophobicContact CG-CE 3.25Å; E698-M702 WeakPolarHBondContact CA-O 3.47Å; A699-M702 PolarHBondContact N-O 3.45Å; A699-M702 WeakPolarHBondContact O-CA 3.45Å; A699-M702 PolarHBondContact O-N 2.75Å; A699-M702 VanDerWaalsContact O-O 3.11Å; M700-M702 PolarHBondContact O-N 3.38Å; M700-M702 VanDerWaalsContact O-N 3.15Å |
| 703 | Q | 73.3 | Confident | 81.7 | Confident | 78 Ų | 78 | 43.9 Ų | 43.9 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 128.1 | 170.2 | -71.4 | 171.9 | 9.7 | 0 | 0 | 108.2 | I696 L697 E698 | I696-Q703 HydrophobicContact CG2-CB 4Å; I696-Q703 HydrophobicContact CG2-CG 4.34Å; L697-Q703 CarbonylContact O-C 3.45Å; L697-Q703 VanDerWaalsContact O-CA 3.3Å; L697-Q703 WeakPolarHBondContact O-CA 3.45Å; E698-Q703 HydrophobicContact CB-CG 4.24Å; E698-Q703 HydrophobicContact CG-CG 4.16Å |
| 704 | N | 73 | Confident | 81.9 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.1 | 177.9 | -163.8 | 12.1 | 0 | 0 | 0 | 108.6 | M673 I696 L697 | M673-N704 HydrophobicContact CE-CB 4.19Å; I696-N704 WeakPolarHBondContact CA-O 3.49Å; L697-N704 PolarHBondContact N-O 3.45Å; L697-N704 PolarHBondContact O-N 3.33Å |
| 705 | S | 81.5 | Confident | 82.1 | Confident | 50 Ų | 50 | 45.7 Ų | 45.7 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.3 | 173.5 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | E693 | E693-S705 WeakPolarHBondContact CG-OG 3.24Å; E693-S705 VanDerWaalsContact OE2-CB 3.31Å; E693-S705 WeakPolarHBondContact OE2-CB 3.28Å; E693-S705 PolarHBondContact OE2-OG 2.9Å |
| 706 | L | 86.5 | Confident | 82.3 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.094 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.7 | 177.6 | -57.3 | -178.1 | 0 | 0 | 0 | 109.2 | P672 L694 C695 L697 L731 | P672-L706 HydrophobicContact CG-CD2 3.85Å; L694-L706 WeakPolarHBondContact CB-O 3.19Å; L694-L706 PolarHBondContact N-O 3.06Å; C695-L706 PolarHBondContact N-O 3.39Å; C695-L706 PolarHBondContact O-N 3.4Å; L697-L706 HydrophobicContact CD1-CD1 3.82Å; L697-L706 HydrophobicContact CG-CD1 3.95Å; L706-L731 HydrophobicContact CD1-CD1 3.25Å |
| 707 | T | 87.7 | Confident | 82.7 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 159.1 | -174.9 | 58.3 | 0 | 0 | 0 | 0 | 112.2 | G691 Q692 S709 | G691-T707 VanDerWaalsContact O-CG2 3.3Å; G691-T707 WeakPolarHBondContact O-CG2 3.38Å; Q692-T707 CarbonylContact O-C 3.59Å; Q692-T707 WeakPolarHBondContact O-CA 3.48Å; T707-S709 PolarHBondContact O-N 2.89Å |
| 708 | A | 85.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | trans | -68.7 | 128.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V688 G691 Q692 L694 R710 | V688-A708 HydrophobicContact CG2-CB 4.02Å; G691-A708 PolarHBondContact N-O 3.45Å; Q692-A708 PolarHBondContact O-N 3.05Å; L694-A708 HydrophobicContact CD1-CB 4.09Å; L694-A708 HydrophobicContact CD2-CB 4.1Å; L694-A708 HydrophobicContact CG-CB 4.19Å; A708-R710 VanDerWaalsContact C-N 3.29Å; A708-R710 PolarHBondContact O-N 3.43Å | ||
| 709 | S | 83.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -74.9 | -17.2 | 177 | 48.9 | 0 | 0 | 0 | 0 | 113.6 | G666 T707 | G666-S709 PolarHBondContact O-OG 3.03Å; G666-S709 VanDerWaalsContact O-OG 3.04Å; T707-S709 PolarHBondContact O-N 2.89Å |
| 710 | R | 84.4 | Confident | 84.4 | Confident | 93 Ų | 93 | 60.2 Ų | 60.2 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -151.6 | 161.8 | 172.7 | 61.7 | 178.7 | -83.8 | -160.6 | -12.2 | 110.3 | G666 A708 L734 K736 | G666-R710 WeakPolarHBondContact O-CD 3.41Å; G666-R710 WeakPolarHBondContact O-CG 3.36Å; A708-R710 VanDerWaalsContact C-N 3.29Å; A708-R710 PolarHBondContact O-N 3.43Å; R710-L734 HydrophobicContact CG-CD1 3.96Å; R710-K736 PolarHBondContact NH1-OXT 3.36Å; R710-K736 PolarHBondContact NH2-OXT 3.24Å |
| 711 | S | 88.5 | Confident | 85.2 | Confident | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | trans | -67 | 140.8 | 168.6 | -57.9 | 0 | 0 | 0 | 0 | 110.6 | V688 E690 | V688-S711 VanDerWaalsContact O-CA 3.27Å; V688-S711 WeakPolarHBondContact O-CA 3.48Å; E690-S711 PolarHBondContact N-OG 3.38Å | ||
| 712 | G | 89.1 | Confident | 86.2 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 19% | 0.186 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.1 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R687 V688 | R687-G712 WeakPolarHBondContact CA-O 3.46Å; V688-G712 PolarHBondContact N-O 3.05Å; V688-G712 PolarHBondContact O-N 2.85Å |
| 713 | V | 91.5 | Very high | 87.2 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.9 | 172.5 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | D686 R687 K715 L734 E735 | D686-V713 WeakPolarHBondContact O-CA 3.43Å; R687-V713 HydrophobicContact CG-CG2 3.8Å; V713-K715 PolarHBondContact O-N 2.89Å; V713-K715 VanDerWaalsContact O-N 3.1Å; V713-L734 CarbonylContact O-C 3.13Å; V713-L734 WeakPolarHBondContact O-CA 3.46Å; V713-E735 HydrophobicContact CB-CB 4.4Å; V713-E735 HydrophobicContact CB-CG 4.2Å; V713-E735 PolarHBondContact O-N 2.86Å |
| 714 | I | 93 | Very high | 87.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 107.4 | 177.4 | -57.3 | -71.4 | 0 | 0 | 0 | 109.1 | V682 K683 G685 D686 V688 L694 V717 V732 L734 | V682-I714 HydrophobicContact CB-CD1 4.27Å; V682-I714 HydrophobicContact CB-CG1 4.13Å; V682-I714 HydrophobicContact CG2-CD1 3.98Å; V682-I714 HydrophobicContact CG2-CG1 4.26Å; K683-I714 WeakPolarHBondContact O-CB 3.45Å; G685-I714 PolarHBondContact N-O 3.48Å; D686-I714 HydrophobicContact CB-CG1 4.28Å; D686-I714 WeakPolarHBondContact O-CG1 3.3Å; D686-I714 PolarHBondContact O-N 2.99Å; V688-I714 HydrophobicContact CG1-CD1 3.85Å; V688-I714 HydrophobicContact CG1-CG1 3.87Å; V688-I714 HydrophobicContact CG2-CD1 3.92Å; V688-I714 HydrophobicContact CG2-CG1 4.39Å; L694-I714 HydrophobicContact CD2-CD1 3.81Å; I714-V717 HydrophobicContact CG2-CG2 3.7Å; I714-V732 HydrophobicContact CD1-CG1 3.52Å; I714-V732 HydrophobicContact CG2-CG1 4.03Å; I714-L734 HydrophobicContact CD1-CD2 3.78Å |
| 715 | K | 93.1 | Very high | 88.5 | Confident | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -42.5 | 176.9 | -177.3 | -171.6 | 168.5 | -150 | 0 | 111.3 | V684 V713 E733 E735 | V684-K715 WeakPolarHBondContact CG1-O 3.25Å; V713-K715 PolarHBondContact O-N 2.89Å; V713-K715 VanDerWaalsContact O-N 3.1Å; K715-E733 HydrophobicContact CB-CB 4.32Å; K715-E733 WeakPolarHBondContact CB-O 3.38Å; K715-E733 HydrophobicContact CD-CB 4.44Å; K715-E733 PolarHBondContact N-O 2.9Å; K715-E733 IonicContact NZ-OE2 3.62Å; K715-E733 PolarHBondContact NZ-OE2 3.13Å; K715-E735 HydrophobicContact CB-CG 3.73Å; K715-E735 HydrophobicContact CG-CG 4.22Å |
| 716 | K | 93.4 | Very high | 88.7 | Confident | 100 Ų | 100 | 57 Ų | 57 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 144.1 | -174.8 | -156 | 177.6 | 179.6 | -148.1 | 0 | 112 | N718 V732 E733 | K716-N718 VanDerWaalsContact CD-OD1 3.26Å; K716-N718 WeakPolarHBondContact CD-OD1 3.4Å; K716-N718 WeakPolarHBondContact CE-OD1 3.36Å; K716-N718 PolarHBondContact NZ-OD1 2.75Å; K716-V732 CarbonylContact O-C 3.59Å; K716-V732 WeakPolarHBondContact O-CA 3.36Å; K716-E733 HydrophobicContact CB-CB 4.09Å; K716-E733 HydrophobicContact CB-CG 4.42Å; K716-E733 PolarHBondContact N-O 3.26Å; K716-E733 PolarHBondContact O-N 2.93Å |
| 717 | V | 92.9 | Very high | 88.5 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.6 | 167.9 | -178.6 | 0 | 0 | 0 | 0 | 106.8 | I680 V682 V684 I714 F719 V732 | I680-V717 HydrophobicContact CD1-CG1 3.74Å; I680-V717 HydrophobicContact CG2-CG1 3.98Å; V682-V717 HydrophobicContact CG2-CG2 4.33Å; V684-V717 HydrophobicContact CG2-CG2 4.34Å; I714-V717 HydrophobicContact CG2-CG2 3.7Å; V717-F719 WeakPolarHBondContact CG1-O 3.32Å; V717-V732 HydrophobicContact CG2-CG2 4.5Å |
| 718 | N | 92.5 | Very high | 88.3 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | trans | -90.9 | -16.6 | -169.7 | -70.9 | -51.6 | 0 | 0 | 0 | 113.9 | K716 I730 L731 | K716-N718 VanDerWaalsContact CD-OD1 3.26Å; K716-N718 WeakPolarHBondContact CD-OD1 3.4Å; K716-N718 WeakPolarHBondContact CE-OD1 3.36Å; K716-N718 PolarHBondContact NZ-OD1 2.75Å; N718-I730 VanDerWaalsContact CB-O 3.22Å; N718-I730 WeakPolarHBondContact CB-O 3.05Å; N718-I730 PolarHBondContact ND2-O 3.28Å; N718-L731 PolarHBondContact N-O 3.05Å | ||
| 719 | F | 92.9 | Very high | 88.5 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 23% | 0.228 | 37% | 0.369 | C | S | . | . | trans | -123.4 | 168.3 | -177.2 | -68.4 | -96 | 0 | 0 | 0 | 111.5 | V677 I680 V717 S724 V725 D729 L731 | V677-F719 HydrophobicContact CG2-CB 4.04Å; I680-F719 WeakPolarHBondContact CD1-O 3.4Å; V717-F719 WeakPolarHBondContact CG1-O 3.32Å; F719-S724 WeakPolarHBondContact CE1-O 3.14Å; F719-V725 HydrophobicContact CB-CG1 4.45Å; F719-V725 HydrophobicContact CD1-CG1 3.47Å; F719-V725 VanDerWaalsContact CD1-CG1 3.47Å; F719-V725 HydrophobicContact CD2-CG1 4.1Å; F719-V725 HydrophobicContact CE1-CB 4.42Å; F719-V725 HydrophobicContact CE1-CG1 3.59Å; F719-V725 HydrophobicContact CE2-CG1 4.2Å; F719-V725 HydrophobicContact CG-CG1 3.74Å; F719-V725 HydrophobicContact CZ-CG1 3.95Å; F719-D729 HydrophobicContact CE2-CB 3.97Å; F719-D729 HydrophobicContact CZ-CB 3.89Å; F719-L731 HydrophobicContact CD2-CD2 3.76Å; F719-L731 HydrophobicContact CE2-CD2 4.2Å; F719-L731 HydrophobicContact CG-CD2 4.27Å | ||
| 720 | K | 90.1 | Very high | 88.8 | Confident | 170 Ų | 170 | 62.2 Ų | 62.2 | 74% | 0.739 | 36% | 0.363 | S | S | * | . | trans | -123.6 | 158.2 | 173.9 | -65.6 | -177.7 | -178.8 | 178.6 | 0 | 109.3 | G722 G723 | K720-G722 PolarHBondContact O-N 2.96Å; K720-G723 PolarHBondContact O-N 3.01Å | ||
| 721 | A | 87.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 58 Ų | 58 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 137.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | V677 G723 | V677-A721 CarbonylContact O-C 3.5Å; V677-A721 WeakPolarHBondContact O-CA 3.36Å; A721-G723 VanDerWaalsContact C-N 3.32Å |
| 722 | G | 83.9 | Confident | 89.3 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | V677 K720 | V677-G722 PolarHBondContact O-N 3.24Å; K720-G722 PolarHBondContact O-N 2.96Å |
| 723 | G | 86.6 | Confident | 89.5 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | trans | -76.2 | 145.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | L676 V677 K720 A721 | L676-G723 WeakPolarHBondContact CA-O 3.33Å; V677-G723 PolarHBondContact N-O 3.14Å; K720-G723 PolarHBondContact O-N 3.01Å; A721-G723 VanDerWaalsContact C-N 3.32Å | ||
| 724 | S | 87.7 | Confident | 89.4 | Confident | 82 Ų | 82 | 54.7 Ų | 54.7 | 57% | 0.573 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 139.4 | 171.4 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | G675 L676 F719 | G675-S724 WeakPolarHBondContact O-CA 3.44Å; L676-S724 WeakPolarHBondContact CD2-OG 3.5Å; F719-S724 WeakPolarHBondContact CE1-O 3.14Å |
| 725 | V | 87.4 | Confident | 89.1 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 151 | 178.2 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | A671 P674 G675 V677 L697 F719 L731 | A671-V725 HydrophobicContact CB-CB 4.26Å; A671-V725 HydrophobicContact CB-CG2 4.04Å; P674-V725 WeakPolarHBondContact CA-O 3.43Å; G675-V725 PolarHBondContact N-O 3.42Å; G675-V725 VanDerWaalsContact N-O 3.09Å; G675-V725 WeakPolarHBondContact O-CG2 3.45Å; G675-V725 PolarHBondContact O-N 2.98Å; V677-V725 HydrophobicContact CG2-CG1 3.6Å; L697-V725 HydrophobicContact CD1-CG2 4.09Å; L697-V725 HydrophobicContact CD2-CG2 3.89Å; F719-V725 HydrophobicContact CB-CG1 4.45Å; F719-V725 HydrophobicContact CD1-CG1 3.47Å; F719-V725 VanDerWaalsContact CD1-CG1 3.47Å; F719-V725 HydrophobicContact CD2-CG1 4.1Å; F719-V725 HydrophobicContact CE1-CB 4.42Å; F719-V725 HydrophobicContact CE1-CG1 3.59Å; F719-V725 HydrophobicContact CE2-CG1 4.2Å; F719-V725 HydrophobicContact CG-CG1 3.74Å; F719-V725 HydrophobicContact CZ-CG1 3.95Å; V725-L731 HydrophobicContact CB-CD2 4.23Å; V725-L731 HydrophobicContact CG1-CD2 3.51Å |
| 726 | S | 85.6 | Confident | 87.8 | Confident | 69 Ų | 69 | 64.1 Ų | 64.1 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | trans | -101.7 | 161.6 | 169.9 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | A671 G728 D729 | A671-S726 WeakPolarHBondContact CB-O 3.44Å; S726-G728 PolarHBondContact O-N 2.74Å; S726-D729 PolarHBondContact N-OD2 3.05Å; S726-D729 WeakPolarHBondContact O-CB 3.33Å; S726-D729 PolarHBondContact O-N 2.84Å | ||
| 727 | E | 82.2 | Confident | 87.6 | Confident | 109 Ų | 109 | 62.3 Ų | 62.3 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 132.5 | 172.3 | -175 | 178 | 179 | 0 | 0 | 110.8 | K391 P674 D729 | K391-E727 IonicContact NZ-OE1 3.42Å; K391-E727 PolarHBondContact NZ-OE1 3.2Å; P674-E727 HydrophobicContact CG-CB 4.3Å; E727-D729 VanDerWaalsContact C-N 3.31Å |
| 728 | G | 83.2 | Confident | 87.3 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -7.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A671 S726 I730 | A671-G728 PolarHBondContact O-N 3.14Å; S726-G728 PolarHBondContact O-N 2.74Å; G728-I730 PolarHBondContact O-N 3.25Å |
| 729 | D | 89.1 | Confident | 87 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | trans | -60.7 | 132.1 | 174.3 | -77.8 | -16.9 | 0 | 0 | 0 | 110.5 | I670 A671 F719 S726 E727 L731 | I670-D729 CarbonylContact C-O 3.59Å; I670-D729 VanDerWaalsContact CA-O 3.32Å; I670-D729 WeakPolarHBondContact CA-O 3.38Å; A671-D729 HydrophobicContact CB-CB 4.37Å; A671-D729 PolarHBondContact N-O 3.49Å; F719-D729 HydrophobicContact CE2-CB 3.97Å; F719-D729 HydrophobicContact CZ-CB 3.89Å; S726-D729 PolarHBondContact N-OD2 3.05Å; S726-D729 WeakPolarHBondContact O-CB 3.33Å; S726-D729 PolarHBondContact O-N 2.84Å; E727-D729 VanDerWaalsContact C-N 3.31Å; D729-L731 PolarHBondContact O-N 3.02Å | ||
| 730 | I | 90.1 | Very high | 86.6 | Confident | 64 Ų | 64 | 65 Ų | 65 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 111.1 | 177.7 | -57.3 | 171.7 | 0 | 0 | 0 | 108.2 | I668 I670 N718 G728 E733 | I668-I730 HydrophobicContact CB-CG2 4.3Å; I668-I730 HydrophobicContact CG2-CG2 4.28Å; I670-I730 HydrophobicContact CG2-CG1 4.17Å; N718-I730 VanDerWaalsContact CB-O 3.22Å; N718-I730 WeakPolarHBondContact CB-O 3.05Å; N718-I730 PolarHBondContact ND2-O 3.28Å; G728-I730 PolarHBondContact O-N 3.25Å; I730-E733 HydrophobicContact CG2-CG 3.67Å |
| 731 | L | 92.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -49 | -179.8 | -62.3 | 172.5 | 0 | 0 | 0 | 111.3 | C669 A671 L697 L706 N718 F719 V725 D729 | C669-L731 PolarHBondContact O-N 3.45Å; A671-L731 HydrophobicContact CB-CD1 3.93Å; A671-L731 HydrophobicContact CB-CD2 4.16Å; A671-L731 HydrophobicContact CB-CG 4.02Å; L697-L731 HydrophobicContact CD1-CD1 4.15Å; L697-L731 HydrophobicContact CD2-CD1 4.32Å; L697-L731 HydrophobicContact CG-CD1 4.42Å; L706-L731 HydrophobicContact CD1-CD1 3.25Å; N718-L731 PolarHBondContact N-O 3.05Å; F719-L731 HydrophobicContact CD2-CD2 3.76Å; F719-L731 HydrophobicContact CE2-CD2 4.2Å; F719-L731 HydrophobicContact CG-CD2 4.27Å; V725-L731 HydrophobicContact CB-CD2 4.23Å; V725-L731 HydrophobicContact CG1-CD2 3.51Å; D729-L731 PolarHBondContact O-N 3.02Å |
| 732 | V | 91.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 134.6 | -175 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | C669 L694 I714 K716 V717 | C669-V732 HydrophobicContact CB-CB 4.01Å; C669-V732 PolarHBondContact N-O 3.48Å; C669-V732 PolarHBondContact O-N 3Å; L694-V732 HydrophobicContact CB-CG2 4.34Å; L694-V732 HydrophobicContact CD1-CB 4.26Å; L694-V732 HydrophobicContact CD1-CG1 4.24Å; I714-V732 HydrophobicContact CD1-CG1 3.52Å; I714-V732 HydrophobicContact CG2-CG1 4.03Å; K716-V732 CarbonylContact O-C 3.59Å; K716-V732 WeakPolarHBondContact O-CA 3.36Å; V717-V732 HydrophobicContact CG2-CG2 4.5Å |
| 733 | E | 92.7 | Very high | 86.5 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.4 | 171.5 | -65.1 | 174 | -132 | 0 | 0 | 109.3 | I668 K715 K716 I730 | I668-E733 HydrophobicContact CG2-CG 4.23Å; K715-E733 HydrophobicContact CB-CB 4.32Å; K715-E733 WeakPolarHBondContact CB-O 3.38Å; K715-E733 HydrophobicContact CD-CB 4.44Å; K715-E733 PolarHBondContact N-O 2.9Å; K715-E733 IonicContact NZ-OE2 3.62Å; K715-E733 PolarHBondContact NZ-OE2 3.13Å; K716-E733 HydrophobicContact CB-CB 4.09Å; K716-E733 HydrophobicContact CB-CG 4.42Å; K716-E733 PolarHBondContact N-O 3.26Å; K716-E733 PolarHBondContact O-N 2.93Å; I730-E733 HydrophobicContact CG2-CG 3.67Å |
| 734 | L | 89.3 | Confident | 86.5 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 149.2 | 168.8 | -65.2 | 167.1 | 0 | 0 | 0 | 109.7 | S667 V688 R710 V713 I714 | S667-L734 PolarHBondContact O-N 3.43Å; V688-L734 HydrophobicContact CG2-CD2 3.6Å; R710-L734 HydrophobicContact CG-CD1 3.96Å; V713-L734 CarbonylContact O-C 3.13Å; V713-L734 WeakPolarHBondContact O-CA 3.46Å; I714-L734 HydrophobicContact CD1-CD2 3.78Å |
| 735 | E | 86.7 | Confident | 86.4 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | trans | -60.9 | 142.9 | 163 | -65.5 | -173.8 | 168.7 | 0 | 0 | 109.3 | V713 K715 | V713-E735 HydrophobicContact CB-CB 4.4Å; V713-E735 HydrophobicContact CB-CG 4.2Å; V713-E735 PolarHBondContact O-N 2.86Å; K715-E735 HydrophobicContact CB-CG 3.73Å; K715-E735 HydrophobicContact CG-CG 4.22Å | ||
| 736 | K | 66.7 | Low | 86.3 | Confident | 209 Ų | 209 | 63.5 Ų | 63.5 | 91% | 0.909 | 33% | 0.332 | S | S | * | . | trans | -67.7 | 0 | -175.8 | -83.1 | -169.4 | 171.3 | -172.4 | 0 | 112.6 | R710 | R710-K736 PolarHBondContact NH1-OXT 3.36Å; R710-K736 PolarHBondContact NH2-OXT 3.24Å |
Retrieved 736 of 736 residues in 1261.9 ms
(Link to these results)