| 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 | 41.1 | Very low | 61.7 | Low | 241 Ų | 241 | 139.7 Ų | 139.7 | 100% | 1.187 | 73% | 0.726 | S | S | * | * | 0 | 103.9 | 0 | -155.4 | 172.6 | -177.8 | 0 | 0 | 106.7 | L3 | M1-L3 PolarHBondContact O-N 3.27Š| |||
| 2 | A | 50.8 | Low | 64.4 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | trans | -85 | 110.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q4 | A2-Q4 PolarHBondContact O-N 2.92Š| ||
| 3 | L | 48.4 | Very low | 66.7 | Low | 169 Ų | 169 | 124.2 Ų | 124.2 | 89% | 0.885 | 65% | 0.65 | S | S | * | * | trans | -79.8 | 96.8 | 169.4 | -75.5 | 162.5 | 0 | 0 | 0 | 107.8 | M1 L5 | M1-L3 PolarHBondContact O-N 3.27Å; L3-L5 PolarHBondContact O-N 3.37Å | ||
| 4 | Q | 55.7 | Low | 68.7 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 65% | 0.646 | S | S | * | * | trans | -78.8 | 113.5 | 170.9 | -163.4 | 169.5 | 1.5 | 0 | 0 | 107.8 | A2 S6 | A2-Q4 PolarHBondContact O-N 2.92Å; Q4-S6 PolarHBondContact O-N 2.59Å; Q4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 50.3 | Low | 70.5 | Confident | 165 Ų | 165 | 118.9 Ų | 118.9 | 86% | 0.864 | 61% | 0.612 | S | S | * | * | trans | -54 | 116.6 | 167.5 | -90.7 | 139.1 | 0 | 0 | 0 | 107.8 | L3 R7 | L3-L5 PolarHBondContact O-N 3.37Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.25Å | ||
| 6 | S | 53.8 | Low | 72.2 | Confident | 120 Ų | 120 | 111.5 Ų | 111.5 | 84% | 0.839 | 57% | 0.574 | S | S | * | * | trans | -63.2 | 86.4 | 179.6 | 53 | 0 | 0 | 0 | 0 | 110.2 | Q4 | Q4-S6 PolarHBondContact O-N 2.59Å; Q4-S6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | R | 59.8 | Low | 73.7 | Confident | 212 Ų | 212 | 105.1 Ų | 105.1 | 80% | 0.8 | 54% | 0.541 | S | S | * | . | trans | -74.6 | 127.2 | 163 | -81.7 | -176.1 | 168.8 | -178.3 | -3 | 107.4 | L5 Q9 | L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.25Å; R7-Q9 VanDerWaalsContact C-N 3.35Å; R7-Q9 HydrophobicContact CB-CG 4.32Å; R7-Q9 WeakPolarHBondContact O-CG 3.38Å; R7-Q9 PolarHBondContact O-N 3.08Å | ||
| 8 | E | 65 | Low | 75 | Confident | 193 Ų | 193 | 104.8 Ų | 104.8 | 90% | 0.902 | 54% | 0.537 | S | S | * | . | trans | -60.3 | 96.6 | 171 | -66.4 | 178.9 | 167.1 | 0 | 0 | 108.7 | ||||
| 9 | Q | 73.2 | Confident | 76.2 | Confident | 150 Ų | 150 | 100.2 Ų | 100.2 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | trans | -96.3 | -11.3 | -175.9 | -77.6 | -175.7 | -5.7 | 0 | 0 | 113.4 | R7 | R7-Q9 VanDerWaalsContact C-N 3.35Å; R7-Q9 HydrophobicContact CB-CG 4.32Å; R7-Q9 WeakPolarHBondContact O-CG 3.38Å; R7-Q9 PolarHBondContact O-N 3.08Å | ||
| 10 | G | 87.2 | Confident | 77.3 | Confident | 19 Ų | 19 | 95.2 Ų | 95.2 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -116.6 | 179.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R117 | G10-R117 CarbonylContact C-O 3.57Å; G10-R117 WeakPolarHBondContact CA-O 3.37Å |
| 11 | I | 93.1 | Very high | 78.3 | Confident | 2 Ų | 2 | 90.7 Ų | 90.7 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | B | Isolated β-bridge | trans | -102.8 | 120.3 | -177 | -53.1 | -58.1 | 0 | 0 | 0 | 109.4 | I19 R117 K119 I124 I190 | I11-I19 HydrophobicContact CD1-CD1 4.21Å; I11-R117 HydrophobicContact CB-CB 4.43Å; I11-R117 PolarHBondContact N-O 3.23Å; I11-R117 PolarHBondContact O-N 3.02Å; I11-K119 HydrophobicContact CG1-CB 4.29Å; I11-K119 WeakPolarHBondContact CG1-O 3.32Å; I11-I124 HydrophobicContact CD1-CD1 3.43Å; I11-I124 VanDerWaalsContact CD1-CD1 3.43Å; I11-I124 HydrophobicContact CG1-CD1 3.65Å; I11-I190 HydrophobicContact CG2-CD1 4.11Å |
| 12 | T | 94.4 | Very high | 81 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 41% | 0.411 | 42% | 0.423 | S | S | . | . | trans | -88.6 | 162.3 | 167.8 | 64.7 | 0 | 0 | 0 | 0 | 110 | R14 G15 S16 P116 I190 | T12-R14 PolarHBondContact O-N 3.05Å; T12-G15 PolarHBondContact O-N 3.13Å; T12-G15 VanDerWaalsContact O-N 3.16Å; T12-G15 PolarHBondContact OG1-N 2.82Å; T12-S16 WeakPolarHBondContact O-CB 3.47Å; T12-S16 PolarHBondContact O-N 3.18Å; T12-P116 HydrophobicContact CG2-CB 4.2Å; T12-P116 HydrophobicContact CG2-CG 4.05Å; T12-I190 VanDerWaalsContact C-CD1 3.44Å | ||
| 13 | L | 94.7 | Very high | 83.3 | Confident | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.2 | -39.5 | 173.3 | 176.6 | 61.3 | 0 | 0 | 0 | 112.3 | S16 A17 Y77 K111 I190 | L13-S16 PolarHBondContact O-N 3.15Å; L13-A17 PolarHBondContact O-N 2.69Å; L13-Y77 HydrophobicContact CB-CD2 4.4Å; L13-Y77 HydrophobicContact CB-CE2 4.31Å; L13-Y77 HydrophobicContact CD2-CD2 3.94Å; L13-Y77 HydrophobicContact CD2-CE2 3.83Å; L13-Y77 WeakPolarHBondContact CD2-O 3.12Å; L13-Y77 HydrophobicContact CG-CD2 3.72Å; L13-Y77 HydrophobicContact CG-CE2 3.94Å; L13-K111 HydrophobicContact CD2-CB 4.35Å; L13-K111 HydrophobicContact CD2-CD 4.2Å; L13-K111 HydrophobicContact CD2-CG 3.25Å; L13-I190 HydrophobicContact CB-CD1 4.37Å; L13-I190 HydrophobicContact CD1-CG2 3.46Å; L13-I190 VanDerWaalsContact CD1-CG2 3.46Å |
| 14 | R | 95 | Very high | 85.6 | Confident | 157 Ų | 157 | 69.5 Ų | 69.5 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -64.3 | -49.8 | 174.9 | -177.2 | 175.2 | -66.1 | -141.8 | -1.8 | 111.8 | T12 S16 A17 E18 Y77 | T12-R14 PolarHBondContact O-N 3.05Å; R14-S16 PolarHBondContact O-N 3.44Å; R14-A17 PolarHBondContact O-N 3.29Å; R14-A17 VanDerWaalsContact O-N 3.09Å; R14-E18 WeakPolarHBondContact O-CG 3.23Å; R14-E18 PolarHBondContact O-N 2.93Å; R14-Y77 HydrophobicContact CB-CD2 4.27Å; R14-Y77 HydrophobicContact CB-CE2 4.36Å |
| 15 | G | 95.8 | Very high | 87.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T12 I19 | T12-G15 PolarHBondContact O-N 3.13Å; T12-G15 VanDerWaalsContact O-N 3.16Å; T12-G15 PolarHBondContact OG1-N 2.82Å; G15-I19 WeakPolarHBondContact O-CD1 3.28Å; G15-I19 WeakPolarHBondContact O-CG1 3.33Å; G15-I19 PolarHBondContact O-N 3.11Å |
| 16 | S | 97.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 172.5 | 179.8 | 0 | 0 | 0 | 0 | 112.7 | T12 L13 R14 E18 I19 V20 T188 H191 | T12-S16 WeakPolarHBondContact O-CB 3.47Å; T12-S16 PolarHBondContact O-N 3.18Å; L13-S16 PolarHBondContact O-N 3.15Å; R14-S16 PolarHBondContact O-N 3.44Å; S16-E18 VanDerWaalsContact C-N 3.32Å; S16-I19 PolarHBondContact O-N 3.21Å; S16-V20 WeakPolarHBondContact O-CG2 3.37Å; S16-V20 PolarHBondContact O-N 3.19Å; S16-T188 WeakPolarHBondContact CB-OG1 3.41Å; S16-T188 WeakPolarHBondContact OG-CB 3.47Å; S16-T188 PolarHBondContact OG-OG1 3.12Å; S16-H191 PolarHBondContact OG-ND1 3.4Å |
| 17 | A | 97.6 | Very high | 92 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L13 R14 V20 A21 L76 | L13-A17 PolarHBondContact O-N 2.69Å; R14-A17 PolarHBondContact O-N 3.29Å; R14-A17 VanDerWaalsContact O-N 3.09Å; A17-V20 PolarHBondContact O-N 2.99Å; A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 3.35Å; A17-A21 PolarHBondContact O-N 2.92Å; A17-L76 HydrophobicContact CB-CB 3.75Å |
| 18 | E | 97.3 | Very high | 93.8 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 175.1 | -71.6 | 171.2 | -173.2 | 0 | 0 | 112.2 | R14 S16 V20 A21 E22 K73 | R14-E18 WeakPolarHBondContact O-CG 3.23Å; R14-E18 PolarHBondContact O-N 2.93Å; S16-E18 VanDerWaalsContact C-N 3.32Å; E18-V20 PolarHBondContact O-N 3.16Å; E18-A21 PolarHBondContact O-N 2.98Å; E18-E22 VanDerWaalsContact O-CB 3.3Å; E18-E22 WeakPolarHBondContact O-CB 3.37Å; E18-E22 PolarHBondContact O-N 3.42Å; E18-K73 HydrophobicContact CG-CD 4.15Å |
| 19 | I | 97.8 | Very high | 95.4 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 178.3 | -69.9 | 162.8 | 0 | 0 | 0 | 111.4 | I11 G15 S16 E22 F23 I124 I128 T188 | I11-I19 HydrophobicContact CD1-CD1 4.21Å; G15-I19 WeakPolarHBondContact O-CD1 3.28Å; G15-I19 WeakPolarHBondContact O-CG1 3.33Å; G15-I19 PolarHBondContact O-N 3.11Å; S16-I19 PolarHBondContact O-N 3.21Å; I19-E22 PolarHBondContact O-N 3.26Å; I19-F23 PolarHBondContact O-N 3.08Å; I19-I124 HydrophobicContact CD1-CD1 4.2Å; I19-I124 HydrophobicContact CG2-CG2 3.79Å; I19-I128 HydrophobicContact CG2-CD1 3.62Å; I19-T188 HydrophobicContact CB-CG2 4.38Å; I19-T188 HydrophobicContact CD1-CG2 4.45Å; I19-T188 HydrophobicContact CG2-CG2 4.11Å |
| 20 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -42.5 | -177.4 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | S16 A17 E18 E22 F23 F24 L76 F186 T188 H191 V193 | S16-V20 WeakPolarHBondContact O-CG2 3.37Å; S16-V20 PolarHBondContact O-N 3.19Å; A17-V20 PolarHBondContact O-N 2.99Å; E18-V20 PolarHBondContact O-N 3.16Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 3.48Å; V20-F23 WeakPolarHBondContact O-CB 3.09Å; V20-F23 PolarHBondContact O-N 2.86Å; V20-F24 HydrophobicContact CG1-CD2 3.86Å; V20-F24 HydrophobicContact CG1-CE2 3.49Å; V20-F24 VanDerWaalsContact CG1-CE2 3.49Å; V20-F24 WeakPolarHBondContact O-CD2 3.17Å; V20-F24 PolarHBondContact O-N 3.15Å; V20-F24 VanDerWaalsContact O-N 3.07Å; V20-L76 HydrophobicContact CB-CD1 3.9Å; V20-L76 HydrophobicContact CG1-CD1 3.64Å; V20-L76 HydrophobicContact CG1-CD2 3.98Å; V20-L76 HydrophobicContact CG1-CG 4.49Å; V20-F186 HydrophobicContact CG2-CE2 4.07Å; V20-F186 HydrophobicContact CG2-CZ 4.26Å; V20-T188 HydrophobicContact CG2-CG2 4.19Å; V20-H191 HydrophobicContact CG2-CB 3.81Å; V20-V193 HydrophobicContact CG1-CG2 3.85Å; V20-V193 HydrophobicContact CG2-CG2 4.25Å |
| 21 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.3 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A17 E18 F24 S25 V69 L72 K73 L76 | A17-A21 VanDerWaalsContact O-CB 3.28Å; A17-A21 WeakPolarHBondContact O-CB 3.35Å; A17-A21 PolarHBondContact O-N 2.92Å; E18-A21 PolarHBondContact O-N 2.98Å; A21-F24 PolarHBondContact O-N 2.78Å; A21-S25 PolarHBondContact O-N 3.1Å; A21-S25 VanDerWaalsContact O-N 3.08Å; A21-V69 HydrophobicContact CB-CG1 4.07Å; A21-L72 HydrophobicContact CB-CD2 4.47Å; A21-K73 HydrophobicContact CB-CB 4.45Å; A21-K73 HydrophobicContact CB-CD 4.3Å; A21-K73 HydrophobicContact CB-CG 3.34Å; A21-L76 HydrophobicContact CB-CD1 4.17Å |
| 22 | E | 97.9 | Very high | 97.2 | Very high | 66 Ų | 66 | 24 Ų | 24 | 31% | 0.308 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.1 | -44.7 | 173 | -174.6 | -177.9 | 64 | 0 | 0 | 111.7 | E18 I19 V20 F24 S25 F26 K48 Y49 | E18-E22 VanDerWaalsContact O-CB 3.3Å; E18-E22 WeakPolarHBondContact O-CB 3.37Å; E18-E22 PolarHBondContact O-N 3.42Å; I19-E22 PolarHBondContact O-N 3.26Å; V20-E22 VanDerWaalsContact C-N 3.33Å; V20-E22 PolarHBondContact O-N 3.48Å; E22-F24 VanDerWaalsContact C-N 3.26Å; E22-F24 PolarHBondContact O-N 3.11Å; E22-S25 WeakPolarHBondContact O-CB 3.49Å; E22-S25 PolarHBondContact O-N 3.47Å; E22-S25 VanDerWaalsContact O-N 3.12Å; E22-F26 HydrophobicContact CG-CD2 3.9Å; E22-F26 HydrophobicContact CG-CE2 3.66Å; E22-F26 VanDerWaalsContact O-CD2 3.31Å; E22-F26 WeakPolarHBondContact O-CD2 3.39Å; E22-F26 PolarHBondContact O-N 2.98Å; E22-F26 VanDerWaalsContact O-N 3.16Å; E22-K48 WeakPolarHBondContact OE1-CE 3.15Å; E22-K48 IonicContact OE1-NZ 3.11Å; E22-K48 PolarHBondContact OE1-NZ 2.83Å; E22-K48 WeakPolarHBondContact OE2-CE 3.29Å; E22-K48 IonicContact OE2-NZ 3.37Å; E22-K48 PolarHBondContact OE2-NZ 2.83Å; E22-Y49 WeakPolarHBondContact CG-OH 3.45Å; E22-Y49 PolarHBondContact OE1-OH 2.86Å |
| 23 | F | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.3 | -46.3 | 173.6 | 161.7 | -98 | 0 | 0 | 0 | 111.2 | I19 V20 S25 F26 G27 F102 I128 V131 I132 F186 V193 | I19-F23 PolarHBondContact O-N 3.08Å; V20-F23 WeakPolarHBondContact O-CB 3.09Å; V20-F23 PolarHBondContact O-N 2.86Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 2.04Å; F23-F26 PolarHBondContact O-N 3.23Å; F23-G27 PolarHBondContact O-N 2.92Å; F23-F102 HydrophobicContact CE1-CD1 4.14Å; F23-F102 HydrophobicContact CE1-CE1 4.17Å; F23-F102 HydrophobicContact CZ-CD1 4.39Å; F23-F102 HydrophobicContact CZ-CE1 4.07Å; F23-I128 HydrophobicContact CB-CD1 4.46Å; F23-I128 HydrophobicContact CD2-CG1 4.46Å; F23-I128 HydrophobicContact CD2-CG2 3.78Å; F23-V131 HydrophobicContact CE2-CB 4.17Å; F23-V131 HydrophobicContact CE2-CG1 3.79Å; F23-V131 HydrophobicContact CZ-CG1 3.72Å; F23-I132 HydrophobicContact CD2-CD1 3.9Å; F23-I132 HydrophobicContact CD2-CG1 4.3Å; F23-I132 HydrophobicContact CE2-CD1 3.64Å; F23-I132 HydrophobicContact CE2-CG1 4.11Å; F23-F186 HydrophobicContact CB-CE1 4.3Å; F23-F186 HydrophobicContact CB-CZ 3.86Å; F23-F186 AromaticContact CD1-CE1 3.45Å; F23-F186 HydrophobicContact CD1-CE1 3.45Å; F23-F186 VanDerWaalsContact CD1-CE1 3.45Å; F23-F186 AromaticContact CD1-CZ 3.64Å; F23-F186 HydrophobicContact CD1-CZ 3.64Å; F23-F186 AromaticContact CD2-CE1 3.8Å; F23-F186 HydrophobicContact CD2-CE1 3.8Å; F23-F186 HydrophobicContact CD2-CZ 4.22Å; F23-F186 AromaticContact CE1-CE1 3.61Å; F23-F186 HydrophobicContact CE1-CE1 3.61Å; F23-F186 HydrophobicContact CE1-CZ 4.26Å; F23-F186 HydrophobicContact CE2-CD1 4.45Å; F23-F186 AromaticContact CE2-CE1 3.92Å; F23-F186 HydrophobicContact CE2-CE1 3.92Å; F23-F186 AromaticContact CG-CE1 3.54Å; F23-F186 HydrophobicContact CG-CE1 3.54Å; F23-F186 AromaticContact CG-CZ 3.6Å; F23-F186 HydrophobicContact CG-CZ 3.6Å; F23-F186 HydrophobicContact CZ-CD1 4.5Å; F23-F186 AromaticContact CZ-CE1 3.82Å; F23-F186 HydrophobicContact CZ-CE1 3.82Å; F23-V193 HydrophobicContact CE1-CG1 4.12Å |
| 24 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.4 | -77.6 | -61.3 | 0 | 0 | 0 | 112.8 | V20 A21 E22 F26 G27 I28 L72 L84 F102 I104 V193 | V20-F24 HydrophobicContact CG1-CD2 3.86Å; V20-F24 HydrophobicContact CG1-CE2 3.49Å; V20-F24 VanDerWaalsContact CG1-CE2 3.49Å; V20-F24 WeakPolarHBondContact O-CD2 3.17Å; V20-F24 PolarHBondContact O-N 3.15Å; V20-F24 VanDerWaalsContact O-N 3.07Å; A21-F24 PolarHBondContact O-N 2.78Å; E22-F24 VanDerWaalsContact C-N 3.26Å; E22-F24 PolarHBondContact O-N 3.11Å; F24-F26 PolarHBondContact O-N 2.91Å; F24-G27 PolarHBondContact O-N 2.89Å; F24-I28 HydrophobicContact CB-CD1 4.37Å; F24-I28 VanDerWaalsContact O-CB 3.31Å; F24-I28 WeakPolarHBondContact O-CB 3.26Å; F24-I28 WeakPolarHBondContact O-CD1 3.27Å; F24-I28 WeakPolarHBondContact O-CG1 3.08Å; F24-I28 PolarHBondContact O-N 2.85Å; F24-L72 HydrophobicContact CB-CD2 3.96Å; F24-L72 HydrophobicContact CD2-CD2 3.43Å; F24-L72 VanDerWaalsContact CD2-CD2 3.43Å; F24-L72 HydrophobicContact CE2-CD2 4.16Å; F24-L72 HydrophobicContact CG-CD2 3.91Å; F24-L84 HydrophobicContact CB-CD1 4.42Å; F24-L84 HydrophobicContact CD1-CB 4.48Å; F24-L84 HydrophobicContact CD1-CD1 3.78Å; F24-L84 HydrophobicContact CD1-CD2 3.88Å; F24-L84 HydrophobicContact CD1-CG 4.28Å; F24-L84 HydrophobicContact CD2-CD1 4.38Å; F24-L84 HydrophobicContact CE1-CB 3.93Å; F24-L84 HydrophobicContact CE1-CD1 4.07Å; F24-L84 HydrophobicContact CE1-CD2 3.91Å; F24-L84 HydrophobicContact CE1-CG 4.2Å; F24-L84 HydrophobicContact CG-CD1 3.95Å; F24-L84 HydrophobicContact CZ-CB 4.07Å; F24-L84 HydrophobicContact CZ-CD1 4.48Å; F24-F102 HydrophobicContact CD1-CG 4.48Å; F24-F102 HydrophobicContact CE1-CB 3.46Å; F24-F102 VanDerWaalsContact CE1-CB 3.46Å; F24-F102 HydrophobicContact CE1-CD1 4.06Å; F24-F102 AromaticContact CE1-CD2 3.89Å; F24-F102 HydrophobicContact CE1-CD2 3.89Å; F24-F102 AromaticContact CE1-CG 3.55Å; F24-F102 HydrophobicContact CE1-CG 3.55Å; F24-F102 HydrophobicContact CZ-CB 3.78Å; F24-F102 HydrophobicContact CZ-CG 4.34Å; F24-I104 HydrophobicContact CE2-CD1 3.57Å; F24-I104 HydrophobicContact CE2-CG1 4.46Å; F24-I104 HydrophobicContact CZ-CD1 3.63Å; F24-I104 HydrophobicContact CZ-CG1 4.16Å; F24-V193 HydrophobicContact CZ-CG1 4.12Å |
| 25 | S | 97.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 20.6 Ų | 20.6 | 19% | 0.189 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.6 | -49.4 | 174.3 | -173 | 0 | 0 | 0 | 0 | 111.7 | A21 E22 F23 N29 | A21-S25 PolarHBondContact O-N 3.1Å; A21-S25 VanDerWaalsContact O-N 3.08Å; E22-S25 WeakPolarHBondContact O-CB 3.49Å; E22-S25 PolarHBondContact O-N 3.47Å; E22-S25 VanDerWaalsContact O-N 3.12Å; F23-S25 VanDerWaalsContact C-N 3.34Å; F23-S25 PolarHBondContact O-N 2.04Å; S25-N29 WeakPolarHBondContact O-CB 3.49Å; S25-N29 PolarHBondContact O-N 3.16Å; S25-N29 PolarHBondContact O-ND2 3.27Å |
| 26 | F | 98 | Very high | 97.4 | Very high | 25 Ų | 25 | 22.5 Ų | 22.5 | 11% | 0.11 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.1 | -37.8 | 178.1 | -73.8 | -71.9 | 0 | 0 | 0 | 113.3 | E22 F23 F24 S30 V46 K48 Y49 L53 V55 I132 | E22-F26 HydrophobicContact CG-CD2 3.9Å; E22-F26 HydrophobicContact CG-CE2 3.66Å; E22-F26 VanDerWaalsContact O-CD2 3.31Å; E22-F26 WeakPolarHBondContact O-CD2 3.39Å; E22-F26 PolarHBondContact O-N 2.98Å; E22-F26 VanDerWaalsContact O-N 3.16Å; F23-F26 PolarHBondContact O-N 3.23Å; F24-F26 PolarHBondContact O-N 2.91Å; F26-S30 WeakPolarHBondContact O-CB 3.18Å; F26-S30 PolarHBondContact O-N 3.06Å; F26-S30 PolarHBondContact O-OG 3.37Å; F26-V46 HydrophobicContact CE1-CG2 3.82Å; F26-K48 HydrophobicContact CD1-CB 4.43Å; F26-K48 HydrophobicContact CD2-CG 3.98Å; F26-K48 HydrophobicContact CE1-CB 3.89Å; F26-K48 HydrophobicContact CE1-CG 4.08Å; F26-K48 HydrophobicContact CE2-CB 4.23Å; F26-K48 HydrophobicContact CE2-CD 3.77Å; F26-K48 HydrophobicContact CE2-CG 3.5Å; F26-K48 HydrophobicContact CG-CG 4.49Å; F26-K48 HydrophobicContact CZ-CB 3.79Å; F26-K48 HydrophobicContact CZ-CD 3.81Å; F26-K48 HydrophobicContact CZ-CG 3.55Å; F26-Y49 HydrophobicContact CB-CE2 4.46Å; F26-Y49 AromaticContact CD2-CE2 3.84Å; F26-Y49 HydrophobicContact CD2-CE2 3.84Å; F26-Y49 HydrophobicContact CE2-CE2 4.48Å; F26-Y49 HydrophobicContact CG-CE2 4.28Å; F26-L53 HydrophobicContact CB-CD1 3.96Å; F26-L53 HydrophobicContact CD1-CB 4.24Å; F26-L53 HydrophobicContact CD1-CD1 3.59Å; F26-L53 HydrophobicContact CE1-CD1 4.34Å; F26-L53 HydrophobicContact CG-CD1 3.89Å; F26-V55 HydrophobicContact CD1-CG1 3.88Å; F26-V55 HydrophobicContact CE1-CG1 3.76Å; F26-I132 HydrophobicContact CB-CD1 4.4Å |
| 27 | G | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.6 | -46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F23 F24 S30 I31 | F23-G27 PolarHBondContact O-N 2.92Å; F24-G27 PolarHBondContact O-N 2.89Å; G27-S30 WeakPolarHBondContact O-CB 3.45Å; G27-S30 PolarHBondContact O-N 2.8Å; G27-I31 WeakPolarHBondContact O-CG1 3.14Å; G27-I31 PolarHBondContact O-N 3Å |
| 28 | I | 98.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | 177.5 | -65.7 | 163.1 | 0 | 0 | 0 | 109.9 | F24 S30 I31 L32 L65 L84 V86 L153 | F24-I28 HydrophobicContact CB-CD1 4.37Å; F24-I28 VanDerWaalsContact O-CB 3.31Å; F24-I28 WeakPolarHBondContact O-CB 3.26Å; F24-I28 WeakPolarHBondContact O-CD1 3.27Å; F24-I28 WeakPolarHBondContact O-CG1 3.08Å; F24-I28 PolarHBondContact O-N 2.85Å; I28-S30 PolarHBondContact O-N 3.44Å; I28-I31 PolarHBondContact O-N 2.85Å; I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 HydrophobicContact CG2-CG 4.13Å; I28-L32 WeakPolarHBondContact O-CG 3.24Å; I28-L32 PolarHBondContact O-N 2.83Å; I28-L65 HydrophobicContact CG2-CD2 3.75Å; I28-L84 HydrophobicContact CD1-CD1 4.43Å; I28-L84 HydrophobicContact CD1-CD2 4.5Å; I28-V86 HydrophobicContact CG1-CG2 4Å; I28-L153 HydrophobicContact CD1-CD1 3.89Å; I28-L153 HydrophobicContact CD1-CD2 3.98Å; I28-L153 HydrophobicContact CG1-CD1 4.4Å |
| 29 | N | 98.2 | Very high | 97.3 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.5 | -41.2 | 175.3 | -86.9 | -78 | 0 | 0 | 0 | 112.3 | S25 Y33 L54 V55 T56 | S25-N29 WeakPolarHBondContact O-CB 3.49Å; S25-N29 PolarHBondContact O-N 3.16Å; S25-N29 PolarHBondContact O-ND2 3.27Å; N29-Y33 WeakPolarHBondContact O-CB 3.44Å; N29-Y33 PolarHBondContact O-N 3.26Å; N29-L54 WeakPolarHBondContact CB-O 3.49Å; N29-V55 HydrophobicContact CB-CG1 4.44Å; N29-V55 WeakPolarHBondContact OD1-CA 3.32Å; N29-T56 WeakPolarHBondContact OD1-CG2 3.28Å; N29-T56 PolarHBondContact OD1-N 3.31Å |
| 30 | S | 97 | Very high | 97.2 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 5% | 0.049 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.1 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F26 G27 I28 Q34 | F26-S30 WeakPolarHBondContact O-CB 3.18Å; F26-S30 PolarHBondContact O-N 3.06Å; F26-S30 PolarHBondContact O-OG 3.37Å; G27-S30 WeakPolarHBondContact O-CB 3.45Å; G27-S30 PolarHBondContact O-N 2.8Å; I28-S30 PolarHBondContact O-N 3.44Å; S30-Q34 WeakPolarHBondContact O-CB 3.47Å; S30-Q34 WeakPolarHBondContact O-CG 3.48Å; S30-Q34 PolarHBondContact O-N 2.86Å |
| 31 | I | 97.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 177.6 | -67.9 | 163.7 | 0 | 0 | 0 | 110.8 | G27 I28 Y33 Q34 R35 V86 I88 W100 F102 I135 | G27-I31 WeakPolarHBondContact O-CG1 3.14Å; G27-I31 PolarHBondContact O-N 3Å; I28-I31 PolarHBondContact O-N 2.85Å; I31-Y33 VanDerWaalsContact C-N 3.28Å; I31-Y33 PolarHBondContact O-N 2.97Å; I31-Q34 PolarHBondContact O-N 3.35Å; I31-R35 HydrophobicContact CG2-CG 4.28Å; I31-R35 PolarHBondContact O-N 3.08Å; I31-V86 HydrophobicContact CD1-CB 4.46Å; I31-V86 HydrophobicContact CD1-CG2 4.13Å; I31-V86 HydrophobicContact CG2-CG1 4.23Å; I31-I88 HydrophobicContact CG2-CD1 4.15Å; I31-W100 HydrophobicContact CD1-CB 3.78Å; I31-W100 HydrophobicContact CD1-CD2 3.75Å; I31-W100 HydrophobicContact CD1-CE3 3.9Å; I31-W100 HydrophobicContact CD1-CG 3.71Å; I31-W100 HydrophobicContact CG1-CD2 3.95Å; I31-W100 HydrophobicContact CG1-CE3 4.13Å; I31-W100 HydrophobicContact CG1-CG 4.26Å; I31-W100 HydrophobicContact CG2-CD2 4.45Å; I31-W100 HydrophobicContact CG2-CG 4.26Å; I31-F102 HydrophobicContact CD1-CE2 4.03Å; I31-F102 HydrophobicContact CD1-CZ 3.9Å; I31-I135 HydrophobicContact CG1-CG2 3.83Å |
| 32 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | -178.9 | -64.2 | -178.7 | 0 | 0 | 0 | 112 | I28 G36 I37 F43 L61 F151 | I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 HydrophobicContact CG2-CG 4.13Å; I28-L32 WeakPolarHBondContact O-CG 3.24Å; I28-L32 PolarHBondContact O-N 2.83Å; L32-G36 PolarHBondContact O-N 3.43Å; L32-I37 HydrophobicContact CB-CB 4.39Å; L32-I37 HydrophobicContact CD2-CB 3.97Å; L32-I37 HydrophobicContact CD2-CG1 3.92Å; L32-I37 HydrophobicContact CD2-CG2 4.03Å; L32-I37 PolarHBondContact O-N 3.36Å; L32-F43 HydrophobicContact CB-CZ 4.19Å; L32-L61 HydrophobicContact CD1-CD1 4.09Å; L32-L61 HydrophobicContact CD1-CD2 3.79Å; L32-F151 HydrophobicContact CD1-CE1 4.48Å; L32-F151 HydrophobicContact CD1-CZ 4.36Å; L32-F151 HydrophobicContact CD2-CB 3.83Å; L32-F151 HydrophobicContact CD2-CD1 3.73Å; L32-F151 HydrophobicContact CD2-CD2 3.83Å; L32-F151 HydrophobicContact CD2-CE1 4.25Å; L32-F151 HydrophobicContact CD2-CE2 4.33Å; L32-F151 HydrophobicContact CD2-CG 3.49Å; L32-F151 VanDerWaalsContact CD2-CG 3.49Å |
| 33 | Y | 97 | Very high | 97.2 | Very high | 79 Ų | 79 | 33.9 Ų | 33.9 | 31% | 0.31 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 174.6 | 175.7 | -97.8 | 0 | 0 | 0 | 112.1 | N29 I31 R35 G36 F43 L54 | N29-Y33 WeakPolarHBondContact O-CB 3.44Å; N29-Y33 PolarHBondContact O-N 3.26Å; I31-Y33 VanDerWaalsContact C-N 3.28Å; I31-Y33 PolarHBondContact O-N 2.97Å; Y33-R35 VanDerWaalsContact C-N 3.31Å; Y33-R35 PolarHBondContact O-N 3.41Å; Y33-G36 PolarHBondContact O-N 3.32Å; Y33-G36 VanDerWaalsContact O-N 3.13Å; Y33-F43 HydrophobicContact CD2-CB 4.14Å; Y33-F43 HydrophobicContact CD2-CD1 4.26Å; Y33-F43 AromaticContact CD2-CD2 3.66Å; Y33-F43 HydrophobicContact CD2-CD2 3.66Å; Y33-F43 HydrophobicContact CD2-CE2 4.06Å; Y33-F43 AromaticContact CD2-CG 3.76Å; Y33-F43 HydrophobicContact CD2-CG 3.76Å; Y33-F43 HydrophobicContact CG-CG 4.47Å; Y33-L54 HydrophobicContact CD1-CD1 3.49Å; Y33-L54 VanDerWaalsContact CD1-CD1 3.49Å; Y33-L54 HydrophobicContact CD2-CD1 3.71Å; Y33-L54 HydrophobicContact CE1-CD1 3.25Å; Y33-L54 HydrophobicContact CE2-CD1 3.47Å; Y33-L54 VanDerWaalsContact CE2-CD1 3.47Å; Y33-L54 HydrophobicContact CG-CB 4.4Å; Y33-L54 HydrophobicContact CG-CD1 3.7Å |
| 34 | Q | 95.1 | Very high | 97.2 | Very high | 60 Ų | 60 | 37 Ų | 37 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.2 | -27.1 | -173.3 | -67.9 | -68 | -16.5 | 0 | 0 | 113.7 | S30 I31 V139 | S30-Q34 WeakPolarHBondContact O-CB 3.47Å; S30-Q34 WeakPolarHBondContact O-CG 3.48Å; S30-Q34 PolarHBondContact O-N 2.86Å; I31-Q34 PolarHBondContact O-N 3.35Å; Q34-V139 HydrophobicContact CB-CG1 4.27Å; Q34-V139 HydrophobicContact CB-CG2 3.84Å; Q34-V139 HydrophobicContact CG-CG2 4.38Å |
| 35 | R | 95.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.6 | 174.9 | -51.9 | -44.7 | -75.1 | 146.7 | -15.8 | 113.1 | I31 Y33 I37 I88 E98 P143 L145 | I31-R35 HydrophobicContact CG2-CG 4.28Å; I31-R35 PolarHBondContact O-N 3.08Å; Y33-R35 VanDerWaalsContact C-N 3.31Å; Y33-R35 PolarHBondContact O-N 3.41Å; R35-I37 VanDerWaalsContact C-N 3.28Å; R35-I37 HydrophobicContact CB-CD1 4.06Å; R35-I37 HydrophobicContact CB-CG1 4.18Å; R35-I37 PolarHBondContact O-N 2.83Å; R35-I88 HydrophobicContact CG-CG1 4.49Å; R35-E98 IonicContact CZ-OE1 3.08Å; R35-E98 VanDerWaalsContact NE-CD 3.32Å; R35-E98 IonicContact NE-OE1 2.84Å; R35-E98 PolarHBondContact NE-OE1 3.16Å; R35-E98 IonicContact NE-OE2 3.09Å; R35-E98 PolarHBondContact NE-OE2 2.83Å; R35-E98 VanDerWaalsContact NE-OE2 3.09Å; R35-E98 IonicContact NH2-OE1 2.6Å; R35-E98 PolarHBondContact NH2-OE1 2.56Å; R35-P143 PolarHBondContact NH2-O 2.99Å; R35-L145 HydrophobicContact CB-CD1 4.07Å; R35-L145 HydrophobicContact CG-CD1 4.44Å; R35-L145 VanDerWaalsContact NE-CD1 3.3Å; R35-L145 VanDerWaalsContact NH2-CG 3.28Å |
| 36 | G | 95.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 56% | 0.557 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 29 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L32 Y33 Y38 | L32-G36 PolarHBondContact O-N 3.43Å; Y33-G36 PolarHBondContact O-N 3.32Å; Y33-G36 VanDerWaalsContact O-N 3.13Å; G36-Y38 PolarHBondContact O-N 3.39Å |
| 37 | I | 97 | Very high | 97.2 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -66.8 | -33.2 | -179.9 | -51.3 | -55.6 | 0 | 0 | 0 | 110.9 | L32 R35 I88 C149 F151 | L32-I37 HydrophobicContact CB-CB 4.39Å; L32-I37 HydrophobicContact CD2-CB 3.97Å; L32-I37 HydrophobicContact CD2-CG1 3.92Å; L32-I37 HydrophobicContact CD2-CG2 4.03Å; L32-I37 PolarHBondContact O-N 3.36Å; R35-I37 VanDerWaalsContact C-N 3.28Å; R35-I37 HydrophobicContact CB-CD1 4.06Å; R35-I37 HydrophobicContact CB-CG1 4.18Å; R35-I37 PolarHBondContact O-N 2.83Å; I37-I88 HydrophobicContact CD1-CD1 3.97Å; I37-I88 HydrophobicContact CD1-CG2 3.86Å; I37-I88 HydrophobicContact CG1-CD1 4.13Å; I37-C149 HydrophobicContact CD1-CB 3.59Å; I37-F151 HydrophobicContact CG2-CB 4.2Å; I37-F151 HydrophobicContact CG2-CD1 3.72Å; I37-F151 HydrophobicContact CG2-CG 4.35Å |
| 38 | Y | 96.9 | Very high | 97.1 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -122 | 150.9 | 171.6 | -76.9 | -101.2 | 0 | 0 | 0 | 109.6 | G36 L61 F151 | G36-Y38 PolarHBondContact O-N 3.39Å; Y38-L61 HydrophobicContact CD1-CD2 4.37Å; Y38-L61 HydrophobicContact CD2-CD2 3.89Å; Y38-L61 HydrophobicContact CE1-CB 4.41Å; Y38-L61 HydrophobicContact CE1-CD2 4.15Å; Y38-L61 HydrophobicContact CE2-CD1 4.29Å; Y38-L61 HydrophobicContact CE2-CD2 3.66Å; Y38-L61 HydrophobicContact CE2-CG 4.49Å; Y38-L61 HydrophobicContact CG-CD2 4.25Å; Y38-F151 HydrophobicContact CE2-CD1 4.28Å; Y38-F151 AromaticContact CE2-CE1 3.81Å; Y38-F151 HydrophobicContact CE2-CE1 3.81Å |
| 39 | P | 96.2 | Very high | 97 | Very high | 68 Ų | 68 | 55.4 Ų | 55.4 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | trans | -58 | 146.2 | 178.3 | -22.6 | 33.3 | 0 | 0 | 0 | 112.7 | E41 T42 F43 | P39-E41 HydrophobicContact CB-CG 4.09Å; P39-E41 WeakPolarHBondContact CB-OE1 3.35Å; P39-E41 VanDerWaalsContact CB-OE2 3.29Å; P39-E41 WeakPolarHBondContact CB-OE2 3.14Å; P39-E41 PolarHBondContact O-N 2.99Å; P39-E41 VanDerWaalsContact O-N 3.14Å; P39-T42 HydrophobicContact CB-CG2 4.32Å; P39-T42 HydrophobicContact CG-CG2 4.42Å; P39-T42 PolarHBondContact O-N 3.09Å; P39-T42 PolarHBondContact O-OG1 3.32Å; P39-F43 WeakPolarHBondContact O-CD2 3.43Å | ||
| 40 | S | 96.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 58.3 Ų | 58.3 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -59.7 | -30 | -175.6 | 64.1 | 0 | 0 | 0 | 0 | 114 | T42 F43 | S40-T42 VanDerWaalsContact C-N 3.27Å; S40-T42 PolarHBondContact O-N 3.32Å; S40-F43 PolarHBondContact O-N 3.03Å |
| 41 | E | 97.1 | Very high | 96.8 | Very high | 142 Ų | 142 | 59.6 Ų | 59.6 | 66% | 0.664 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -71.9 | -16.9 | 178.6 | 61 | -90.1 | -149.1 | 0 | 0 | 113.4 | P39 F43 | P39-E41 HydrophobicContact CB-CG 4.09Å; P39-E41 WeakPolarHBondContact CB-OE1 3.35Å; P39-E41 VanDerWaalsContact CB-OE2 3.29Å; P39-E41 WeakPolarHBondContact CB-OE2 3.14Å; P39-E41 PolarHBondContact O-N 2.99Å; P39-E41 VanDerWaalsContact O-N 3.14Å; E41-F43 PolarHBondContact O-N 2.74Å |
| 42 | T | 97.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 63.5 Ų | 63.5 | 19% | 0.19 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -87.7 | 17.5 | 174.3 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | P39 S40 T56 T57 | P39-T42 HydrophobicContact CB-CG2 4.32Å; P39-T42 HydrophobicContact CG-CG2 4.42Å; P39-T42 PolarHBondContact O-N 3.09Å; P39-T42 PolarHBondContact O-OG1 3.32Å; S40-T42 VanDerWaalsContact C-N 3.27Å; S40-T42 PolarHBondContact O-N 3.32Å; T42-T56 CarbonylContact O-C 3.47Å; T42-T56 WeakPolarHBondContact O-CA 3.18Å; T42-T56 PolarHBondContact O-OG1 2.98Å; T42-T57 VanDerWaalsContact C-OG1 3.3Å; T42-T57 WeakPolarHBondContact CA-OG1 3.3Å; T42-T57 PolarHBondContact O-N 2.86Å; T42-T57 PolarHBondContact O-OG1 3.12Å |
| 43 | F | 98.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | 175.3 | -67.7 | -97 | 0 | 0 | 0 | 111.7 | L32 Y33 P39 S40 E41 L54 V55 | L32-F43 HydrophobicContact CB-CZ 4.19Å; Y33-F43 HydrophobicContact CD2-CB 4.14Å; Y33-F43 HydrophobicContact CD2-CD1 4.26Å; Y33-F43 AromaticContact CD2-CD2 3.66Å; Y33-F43 HydrophobicContact CD2-CD2 3.66Å; Y33-F43 HydrophobicContact CD2-CE2 4.06Å; Y33-F43 AromaticContact CD2-CG 3.76Å; Y33-F43 HydrophobicContact CD2-CG 3.76Å; Y33-F43 HydrophobicContact CG-CG 4.47Å; P39-F43 WeakPolarHBondContact O-CD2 3.43Å; S40-F43 PolarHBondContact O-N 3.03Å; E41-F43 PolarHBondContact O-N 2.74Å; F43-L54 HydrophobicContact CB-CB 4.23Å; F43-L54 HydrophobicContact CB-CD2 4.23Å; F43-L54 HydrophobicContact CD1-CB 4.3Å; F43-V55 CarbonylContact C-O 3.56Å; F43-V55 VanDerWaalsContact CA-O 3.31Å; F43-V55 WeakPolarHBondContact CA-O 3.34Å |
| 44 | T | 98.5 | Very high | 96.8 | Very high | 67 Ų | 67 | 62 Ų | 62 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.9 | 175.4 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | L54 V55 T57 | T44-L54 WeakPolarHBondContact O-CA 3.35Å; T44-V55 HydrophobicContact CG2-CG2 3.86Å; T44-V55 PolarHBondContact N-O 3.26Å; T44-V55 PolarHBondContact O-N 2.92Å; T44-T57 HydrophobicContact CG2-CG2 3.66Å |
| 45 | R | 98 | Very high | 97 | Very high | 194 Ų | 194 | 60.4 Ų | 60.4 | 73% | 0.732 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.9 | -176.7 | -66.9 | 177.6 | -175.8 | 87.3 | 1.4 | 110.6 | T52 L53 L54 | R45-T52 HydrophobicContact CB-CG2 3.8Å; R45-T52 HydrophobicContact CG-CG2 3.99Å; R45-L53 CarbonylContact C-O 3.57Å; R45-L53 WeakPolarHBondContact CA-O 3.16Å; R45-L54 HydrophobicContact CG-CD2 3.69Å |
| 46 | V | 97.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 59.8 Ų | 59.8 | 29% | 0.291 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.2 | 176 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | F26 T52 L53 V55 | F26-V46 HydrophobicContact CE1-CG2 3.82Å; V46-T52 CarbonylContact O-C 3.57Å; V46-T52 WeakPolarHBondContact O-CA 3.5Å; V46-L53 HydrophobicContact CG2-CB 4.37Å; V46-L53 PolarHBondContact N-O 2.88Å; V46-L53 PolarHBondContact O-N 2.82Å; V46-V55 HydrophobicContact CB-CG2 4.41Å; V46-V55 HydrophobicContact CG1-CG2 3.62Å; V46-V55 HydrophobicContact CG2-CB 4.41Å; V46-V55 HydrophobicContact CG2-CG1 3.68Å; V46-V55 HydrophobicContact CG2-CG2 3.85Å |
| 47 | Q | 97.8 | Very high | 97.2 | Very high | 140 Ų | 140 | 60.5 Ų | 60.5 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.9 | 177.8 | -67.2 | -62.5 | -12.2 | 0 | 0 | 110.4 | L51 T52 | Q47-L51 WeakPolarHBondContact CA-O 3.19Å; Q47-L51 PolarHBondContact OE1-O 2.88Å; Q47-L51 VanDerWaalsContact OE1-O 3.11Å; Q47-T52 PolarHBondContact NE2-OG1 2.67Å |
| 48 | K | 96.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 23% | 0.226 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.2 | 176.6 | -167.7 | 76.1 | -171.6 | -173.4 | 0 | 111.6 | E22 F26 G50 L51 L53 | E22-K48 WeakPolarHBondContact OE1-CE 3.15Å; E22-K48 IonicContact OE1-NZ 3.11Å; E22-K48 PolarHBondContact OE1-NZ 2.83Å; E22-K48 WeakPolarHBondContact OE2-CE 3.29Å; E22-K48 IonicContact OE2-NZ 3.37Å; E22-K48 PolarHBondContact OE2-NZ 2.83Å; F26-K48 HydrophobicContact CD1-CB 4.43Å; F26-K48 HydrophobicContact CD2-CG 3.98Å; F26-K48 HydrophobicContact CE1-CB 3.89Å; F26-K48 HydrophobicContact CE1-CG 4.08Å; F26-K48 HydrophobicContact CE2-CB 4.23Å; F26-K48 HydrophobicContact CE2-CD 3.77Å; F26-K48 HydrophobicContact CE2-CG 3.5Å; F26-K48 HydrophobicContact CG-CG 4.49Å; F26-K48 HydrophobicContact CZ-CB 3.79Å; F26-K48 HydrophobicContact CZ-CD 3.81Å; F26-K48 HydrophobicContact CZ-CG 3.55Å; K48-G50 PolarHBondContact O-N 3.36Å; K48-L51 PolarHBondContact N-O 2.79Å; K48-L51 WeakPolarHBondContact O-CB 3.44Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-O 3.06Å; K48-L53 HydrophobicContact CB-CD1 4.07Å |
| 49 | Y | 95.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 24 | -177.4 | -48.9 | -59.1 | 0 | 0 | 0 | 113.2 | E22 F26 L51 L53 Q125 I128 R129 | E22-Y49 WeakPolarHBondContact CG-OH 3.45Å; E22-Y49 PolarHBondContact OE1-OH 2.86Å; F26-Y49 HydrophobicContact CB-CE2 4.46Å; F26-Y49 AromaticContact CD2-CE2 3.84Å; F26-Y49 HydrophobicContact CD2-CE2 3.84Å; F26-Y49 HydrophobicContact CE2-CE2 4.48Å; F26-Y49 HydrophobicContact CG-CE2 4.28Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; Y49-L53 HydrophobicContact CD2-CD1 4.22Å; Y49-Q125 HydrophobicContact CD1-CB 4.11Å; Y49-Q125 HydrophobicContact CD1-CG 3.91Å; Y49-Q125 HydrophobicContact CE1-CG 4.28Å; Y49-I128 HydrophobicContact CD1-CB 4.4Å; Y49-I128 HydrophobicContact CD1-CG2 3.91Å; Y49-I128 HydrophobicContact CD2-CG2 3.59Å; Y49-I128 HydrophobicContact CE1-CB 4.48Å; Y49-I128 HydrophobicContact CE1-CD1 4.15Å; Y49-I128 HydrophobicContact CE1-CG2 3.88Å; Y49-I128 HydrophobicContact CE2-CG2 3.54Å; Y49-I128 HydrophobicContact CG-CG2 3.78Å; Y49-R129 VanDerWaalsContact O-CZ 3.23Å; Y49-R129 PolarHBondContact O-NE 2.84Å; Y49-R129 PolarHBondContact O-NH2 2.88Å |
| 50 | G | 94.9 | Very high | 97.4 | Very high | 67 Ų | 67 | 70 Ų | 70 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 22.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K48 | K48-G50 PolarHBondContact O-N 3.36Š|
| 51 | L | 95.9 | Very high | 97.5 | Very high | 33 Ų | 33 | 66.5 Ų | 66.5 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.8 | 175.6 | -55.9 | 173.7 | 0 | 0 | 0 | 109.8 | Q47 K48 Y49 L53 R129 I132 R133 | Q47-L51 WeakPolarHBondContact CA-O 3.19Å; Q47-L51 PolarHBondContact OE1-O 2.88Å; Q47-L51 VanDerWaalsContact OE1-O 3.11Å; K48-L51 PolarHBondContact N-O 2.79Å; K48-L51 WeakPolarHBondContact O-CB 3.44Å; K48-L51 PolarHBondContact O-N 3.45Å; K48-L51 VanDerWaalsContact O-O 3.06Å; Y49-L51 VanDerWaalsContact C-N 3.32Å; L51-L53 HydrophobicContact CB-CD2 3.76Å; L51-L53 HydrophobicContact CB-CG 4.13Å; L51-L53 HydrophobicContact CD1-CD2 3.99Å; L51-L53 PolarHBondContact O-N 3.36Å; L51-R129 HydrophobicContact CD1-CB 4.49Å; L51-R129 HydrophobicContact CD1-CG 3.68Å; L51-R129 HydrophobicContact CD2-CG 3.79Å; L51-R129 HydrophobicContact CG-CG 3.72Å; L51-I132 HydrophobicContact CD1-CB 4.26Å; L51-I132 HydrophobicContact CD1-CG2 4.01Å; L51-R133 HydrophobicContact CD1-CG 3.94Å; L51-R133 HydrophobicContact CD2-CG 4.1Å |
| 52 | T | 97.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107 | 161.6 | -54.9 | 0 | 0 | 0 | 0 | 108.1 | R45 V46 Q47 | R45-T52 HydrophobicContact CB-CG2 3.8Å; R45-T52 HydrophobicContact CG-CG2 3.99Å; V46-T52 CarbonylContact O-C 3.57Å; V46-T52 WeakPolarHBondContact O-CA 3.5Å; Q47-T52 PolarHBondContact NE2-OG1 2.67Å |
| 53 | L | 97.1 | Very high | 97.5 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 160.1 | 177 | -58 | -174.3 | 0 | 0 | 0 | 110.8 | F26 R45 V46 K48 Y49 L51 I132 | F26-L53 HydrophobicContact CB-CD1 3.96Å; F26-L53 HydrophobicContact CD1-CB 4.24Å; F26-L53 HydrophobicContact CD1-CD1 3.59Å; F26-L53 HydrophobicContact CE1-CD1 4.34Å; F26-L53 HydrophobicContact CG-CD1 3.89Å; R45-L53 CarbonylContact C-O 3.57Å; R45-L53 WeakPolarHBondContact CA-O 3.16Å; V46-L53 HydrophobicContact CG2-CB 4.37Å; V46-L53 PolarHBondContact N-O 2.88Å; V46-L53 PolarHBondContact O-N 2.82Å; K48-L53 HydrophobicContact CB-CD1 4.07Å; Y49-L53 HydrophobicContact CD2-CD1 4.22Å; L51-L53 HydrophobicContact CB-CD2 3.76Å; L51-L53 HydrophobicContact CB-CG 4.13Å; L51-L53 HydrophobicContact CD1-CD2 3.99Å; L51-L53 PolarHBondContact O-N 3.36Å; L53-I132 HydrophobicContact CD1-CG2 4.18Å; L53-I132 HydrophobicContact CD2-CG2 3.5Å; L53-I132 VanDerWaalsContact CD2-CG2 3.5Å |
| 54 | L | 97.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 71.3 Ų | 71.3 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.3 | 175.2 | -71.1 | 166.6 | 0 | 0 | 0 | 109.4 | N29 Y33 F43 T44 R45 | N29-L54 WeakPolarHBondContact CB-O 3.49Å; Y33-L54 HydrophobicContact CD1-CD1 3.49Å; Y33-L54 VanDerWaalsContact CD1-CD1 3.49Å; Y33-L54 HydrophobicContact CD2-CD1 3.71Å; Y33-L54 HydrophobicContact CE1-CD1 3.25Å; Y33-L54 HydrophobicContact CE2-CD1 3.47Å; Y33-L54 VanDerWaalsContact CE2-CD1 3.47Å; Y33-L54 HydrophobicContact CG-CB 4.4Å; Y33-L54 HydrophobicContact CG-CD1 3.7Å; F43-L54 HydrophobicContact CB-CB 4.23Å; F43-L54 HydrophobicContact CB-CD2 4.23Å; F43-L54 HydrophobicContact CD1-CB 4.3Å; T44-L54 WeakPolarHBondContact O-CA 3.35Å; R45-L54 HydrophobicContact CG-CD2 3.69Å |
| 55 | V | 98.2 | Very high | 97.5 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 146.4 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | F26 N29 F43 T44 V46 | F26-V55 HydrophobicContact CD1-CG1 3.88Å; F26-V55 HydrophobicContact CE1-CG1 3.76Å; N29-V55 HydrophobicContact CB-CG1 4.44Å; N29-V55 WeakPolarHBondContact OD1-CA 3.32Å; F43-V55 CarbonylContact C-O 3.56Å; F43-V55 VanDerWaalsContact CA-O 3.31Å; F43-V55 WeakPolarHBondContact CA-O 3.34Å; T44-V55 HydrophobicContact CG2-CG2 3.86Å; T44-V55 PolarHBondContact N-O 3.26Å; T44-V55 PolarHBondContact O-N 2.92Å; V46-V55 HydrophobicContact CB-CG2 4.41Å; V46-V55 HydrophobicContact CG1-CG2 3.62Å; V46-V55 HydrophobicContact CG2-CB 4.41Å; V46-V55 HydrophobicContact CG2-CG1 3.68Å; V46-V55 HydrophobicContact CG2-CG2 3.85Å |
| 56 | T | 98.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 63 Ų | 63 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 146.3 | -177.9 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | N29 T42 D58 L61 I62 L65 | N29-T56 WeakPolarHBondContact OD1-CG2 3.28Å; N29-T56 PolarHBondContact OD1-N 3.31Å; T42-T56 CarbonylContact O-C 3.47Å; T42-T56 WeakPolarHBondContact O-CA 3.18Å; T42-T56 PolarHBondContact O-OG1 2.98Å; T56-D58 WeakPolarHBondContact OG1-CB 3.18Å; T56-D58 PolarHBondContact OG1-N 3.48Å; T56-L61 HydrophobicContact CG2-CB 4.15Å; T56-L61 HydrophobicContact CG2-CD2 3.66Å; T56-L61 HydrophobicContact CG2-CG 3.76Å; T56-I62 HydrophobicContact CG2-CG1 3.73Å; T56-L65 HydrophobicContact CG2-CD1 4.36Å |
| 57 | T | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | trans | -104.8 | -2.6 | 167.6 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | T42 T44 L59 | T42-T57 VanDerWaalsContact C-OG1 3.3Å; T42-T57 WeakPolarHBondContact CA-OG1 3.3Å; T42-T57 PolarHBondContact O-N 2.86Å; T42-T57 PolarHBondContact O-OG1 3.12Å; T44-T57 HydrophobicContact CG2-CG2 3.66Å; T57-L59 PolarHBondContact O-N 2.85Å | ||
| 58 | D | 98.1 | Very high | 97.3 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | trans | -71.2 | 124.5 | 177.4 | 178.4 | -98.1 | 0 | 0 | 0 | 111 | T56 E60 L61 I62 | T56-D58 WeakPolarHBondContact OG1-CB 3.18Å; T56-D58 PolarHBondContact OG1-N 3.48Å; D58-E60 PolarHBondContact O-N 2.59Å; D58-E60 PolarHBondContact OD1-N 3.48Å; D58-L61 HydrophobicContact CB-CB 4.11Å; D58-L61 PolarHBondContact O-N 3.47Å; D58-L61 WeakPolarHBondContact OD1-CB 3.3Å; D58-L61 PolarHBondContact OD1-N 2.94Å; D58-I62 WeakPolarHBondContact O-CB 3.37Å; D58-I62 WeakPolarHBondContact O-CD1 3.16Å; D58-I62 WeakPolarHBondContact O-CG1 3.38Å; D58-I62 PolarHBondContact O-N 2.94Å | ||
| 59 | L | 97.9 | Very high | 97.3 | Very high | 143 Ų | 143 | 56.6 Ų | 56.6 | 75% | 0.749 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.9 | -34.8 | -171.1 | -64.9 | 179.1 | 0 | 0 | 0 | 112.9 | T57 K63 | T57-L59 PolarHBondContact O-N 2.85Å; L59-K63 WeakPolarHBondContact O-CB 3.36Å; L59-K63 PolarHBondContact O-N 3.5Å; L59-K63 VanDerWaalsContact O-N 3.07Å |
| 60 | E | 97.7 | Very high | 97.3 | Very high | 160 Ų | 160 | 61.2 Ų | 61.2 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.5 | -45.3 | 179.4 | -64.9 | -168.6 | 170 | 0 | 0 | 110.6 | D58 K63 Y64 | D58-E60 PolarHBondContact O-N 2.59Å; D58-E60 PolarHBondContact OD1-N 3.48Å; E60-K63 PolarHBondContact O-N 3.46Å; E60-Y64 WeakPolarHBondContact O-CB 3.36Å; E60-Y64 PolarHBondContact O-N 3.04Å |
| 61 | L | 97.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.2 | -176.5 | 61.2 | 0 | 0 | 0 | 111.9 | L32 Y38 T56 D58 K63 Y64 L65 F151 | L32-L61 HydrophobicContact CD1-CD1 4.09Å; L32-L61 HydrophobicContact CD1-CD2 3.79Å; Y38-L61 HydrophobicContact CD1-CD2 4.37Å; Y38-L61 HydrophobicContact CD2-CD2 3.89Å; Y38-L61 HydrophobicContact CE1-CB 4.41Å; Y38-L61 HydrophobicContact CE1-CD2 4.15Å; Y38-L61 HydrophobicContact CE2-CD1 4.29Å; Y38-L61 HydrophobicContact CE2-CD2 3.66Å; Y38-L61 HydrophobicContact CE2-CG 4.49Å; Y38-L61 HydrophobicContact CG-CD2 4.25Å; T56-L61 HydrophobicContact CG2-CB 4.15Å; T56-L61 HydrophobicContact CG2-CD2 3.66Å; T56-L61 HydrophobicContact CG2-CG 3.76Å; D58-L61 HydrophobicContact CB-CB 4.11Å; D58-L61 PolarHBondContact O-N 3.47Å; D58-L61 WeakPolarHBondContact OD1-CB 3.3Å; D58-L61 PolarHBondContact OD1-N 2.94Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.48Å; L61-Y64 HydrophobicContact CD1-CD1 4.28Å; L61-Y64 PolarHBondContact O-N 3.4Å; L61-L65 HydrophobicContact CD1-CD1 4.07Å; L61-L65 HydrophobicContact CD1-CD2 4.32Å; L61-L65 HydrophobicContact CD1-CG 3.87Å; L61-L65 HydrophobicContact CG-CD1 4Å; L61-L65 HydrophobicContact CG-CG 4.2Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 3.36Å; L61-F151 HydrophobicContact CD1-CE1 4.25Å; L61-F151 HydrophobicContact CD1-CZ 3.8Å |
| 62 | I | 98.2 | Very high | 97.5 | Very high | 57 Ų | 57 | 58.2 Ų | 58.2 | 29% | 0.292 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 173.6 | -72.5 | 165.2 | 0 | 0 | 0 | 110 | T56 D58 Y64 N66 | T56-I62 HydrophobicContact CG2-CG1 3.73Å; D58-I62 WeakPolarHBondContact O-CB 3.37Å; D58-I62 WeakPolarHBondContact O-CD1 3.16Å; D58-I62 WeakPolarHBondContact O-CG1 3.38Å; D58-I62 PolarHBondContact O-N 2.94Å; I62-Y64 PolarHBondContact O-N 3.02Å; I62-N66 WeakPolarHBondContact CG2-ND2 3.24Å; I62-N66 VanDerWaalsContact O-CB 3.29Å; I62-N66 WeakPolarHBondContact O-CB 3.48Å; I62-N66 PolarHBondContact O-N 3.15Å; I62-N66 PolarHBondContact O-ND2 3.34Å |
| 63 | K | 97.9 | Very high | 97.4 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 179 | -177.3 | -179.4 | 177.9 | -175.9 | 0 | 111.5 | L59 E60 L61 N67 | L59-K63 WeakPolarHBondContact O-CB 3.36Å; L59-K63 PolarHBondContact O-N 3.5Å; L59-K63 VanDerWaalsContact O-N 3.07Å; E60-K63 PolarHBondContact O-N 3.46Å; L61-K63 VanDerWaalsContact C-N 3.32Å; L61-K63 PolarHBondContact O-N 3.48Å; K63-N67 VanDerWaalsContact O-CG 3.26Å; K63-N67 PolarHBondContact O-N 3.48Å; K63-N67 VanDerWaalsContact O-N 3.12Å; K63-N67 PolarHBondContact O-ND2 3.26Å; K63-N67 VanDerWaalsContact O-ND2 3.1Å |
| 64 | Y | 97.9 | Very high | 97.4 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 38% | 0.376 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.3 | -56.1 | 177.3 | 176.3 | -97.1 | 0 | 0 | 0 | 111.4 | E60 L61 I62 N66 N67 V68 F151 L153 | E60-Y64 WeakPolarHBondContact O-CB 3.36Å; E60-Y64 PolarHBondContact O-N 3.04Å; L61-Y64 HydrophobicContact CD1-CD1 4.28Å; L61-Y64 PolarHBondContact O-N 3.4Å; I62-Y64 PolarHBondContact O-N 3.02Å; Y64-N66 VanDerWaalsContact C-N 3.3Å; Y64-N66 PolarHBondContact O-N 3.05Å; Y64-N67 PolarHBondContact O-N 3.41Å; Y64-N67 VanDerWaalsContact O-N 3.15Å; Y64-V68 HydrophobicContact CD1-CG2 4.35Å; Y64-V68 HydrophobicContact CE1-CG2 3.98Å; Y64-V68 HydrophobicContact CE2-CG2 4.41Å; Y64-V68 WeakPolarHBondContact O-CG2 3.38Å; Y64-V68 PolarHBondContact O-N 2.86Å; Y64-F151 HydrophobicContact CD1-CZ 4.37Å; Y64-F151 HydrophobicContact CE1-CE2 4.02Å; Y64-F151 HydrophobicContact CE1-CZ 4.07Å; Y64-L153 HydrophobicContact CE1-CD2 4.27Å |
| 65 | L | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | -178.8 | -66.6 | -179.4 | 0 | 0 | 0 | 112 | I28 T56 L61 V68 V69 | I28-L65 HydrophobicContact CG2-CD2 3.75Å; T56-L65 HydrophobicContact CG2-CD1 4.36Å; L61-L65 HydrophobicContact CD1-CD1 4.07Å; L61-L65 HydrophobicContact CD1-CD2 4.32Å; L61-L65 HydrophobicContact CD1-CG 3.87Å; L61-L65 HydrophobicContact CG-CD1 4Å; L61-L65 HydrophobicContact CG-CG 4.2Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 WeakPolarHBondContact O-CG 3.29Å; L61-L65 PolarHBondContact O-N 3.36Å; L65-V68 PolarHBondContact O-N 3.1Å; L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.21Å |
| 66 | N | 97.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.6 | -75.8 | -22.5 | 0 | 0 | 0 | 112 | I62 Y64 V68 V69 E70 | I62-N66 WeakPolarHBondContact CG2-ND2 3.24Å; I62-N66 VanDerWaalsContact O-CB 3.29Å; I62-N66 WeakPolarHBondContact O-CB 3.48Å; I62-N66 PolarHBondContact O-N 3.15Å; I62-N66 PolarHBondContact O-ND2 3.34Å; Y64-N66 VanDerWaalsContact C-N 3.3Å; Y64-N66 PolarHBondContact O-N 3.05Å; N66-V68 VanDerWaalsContact C-N 3.3Å; N66-V68 PolarHBondContact O-N 3.12Å; N66-V69 PolarHBondContact O-N 2.95Å; N66-E70 WeakPolarHBondContact O-CG 3.11Å; N66-E70 PolarHBondContact O-N 2.78Å |
| 67 | N | 96.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 62.1 Ų | 62.1 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.1 | -68.6 | -33.1 | 0 | 0 | 0 | 111.8 | K63 Y64 Q71 | K63-N67 VanDerWaalsContact O-CG 3.26Å; K63-N67 PolarHBondContact O-N 3.48Å; K63-N67 VanDerWaalsContact O-N 3.12Å; K63-N67 PolarHBondContact O-ND2 3.26Å; K63-N67 VanDerWaalsContact O-ND2 3.1Å; Y64-N67 PolarHBondContact O-N 3.41Å; Y64-N67 VanDerWaalsContact O-N 3.15Å; N67-Q71 PolarHBondContact O-N 2.9Å; N67-Q71 VanDerWaalsContact O-N 3.12Å |
| 68 | V | 96.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -50.2 | 175 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | Y64 L65 N66 E70 Q71 L72 L153 I155 W167 | Y64-V68 HydrophobicContact CD1-CG2 4.35Å; Y64-V68 HydrophobicContact CE1-CG2 3.98Å; Y64-V68 HydrophobicContact CE2-CG2 4.41Å; Y64-V68 WeakPolarHBondContact O-CG2 3.38Å; Y64-V68 PolarHBondContact O-N 2.86Å; L65-V68 PolarHBondContact O-N 3.1Å; N66-V68 VanDerWaalsContact C-N 3.3Å; N66-V68 PolarHBondContact O-N 3.12Å; V68-E70 PolarHBondContact O-N 2.8Å; V68-Q71 PolarHBondContact O-N 3.18Å; V68-L72 WeakPolarHBondContact O-CB 3.12Å; V68-L72 PolarHBondContact O-N 3.26Å; V68-L153 HydrophobicContact CB-CD2 4.22Å; V68-L153 HydrophobicContact CG1-CD2 3.42Å; V68-L153 VanDerWaalsContact CG1-CD2 3.42Å; V68-L153 HydrophobicContact CG2-CD2 3.94Å; V68-I155 HydrophobicContact CG1-CD1 4.05Å; V68-W167 HydrophobicContact CB-CH2 4.39Å; V68-W167 HydrophobicContact CG1-CH2 4.29Å; V68-W167 HydrophobicContact CG2-CH2 4.12Å; V68-W167 HydrophobicContact CG2-CZ2 4.45Å |
| 69 | V | 96.5 | Very high | 97 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.6 | -41.1 | -177.3 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | A21 L65 N66 L72 K73 | A21-V69 HydrophobicContact CB-CG1 4.07Å; L65-V69 WeakPolarHBondContact O-CB 3.28Å; L65-V69 WeakPolarHBondContact O-CG2 3.22Å; L65-V69 PolarHBondContact O-N 3.21Å; N66-V69 PolarHBondContact O-N 2.95Å; V69-L72 PolarHBondContact O-N 3.1Å; V69-K73 WeakPolarHBondContact O-CG 3.44Å; V69-K73 PolarHBondContact O-N 3.4Å |
| 70 | E | 96.5 | Very high | 97 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 174.9 | -70.6 | -53.4 | 130.2 | 0 | 0 | 111.5 | N66 V68 L72 K73 D74 | N66-E70 WeakPolarHBondContact O-CG 3.11Å; N66-E70 PolarHBondContact O-N 2.78Å; V68-E70 PolarHBondContact O-N 2.8Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 2.75Å; E70-K73 VanDerWaalsContact CD-CE 3.42Å; E70-K73 PolarHBondContact O-N 3.23Å; E70-K73 VanDerWaalsContact OE1-CE 3.3Å; E70-K73 WeakPolarHBondContact OE1-CE 3.41Å; E70-K73 IonicContact OE1-NZ 2.82Å; E70-K73 PolarHBondContact OE1-NZ 2.83Å; E70-K73 WeakPolarHBondContact OE2-CE 3.27Å; E70-K73 IonicContact OE2-NZ 3.53Å; E70-K73 PolarHBondContact OE2-NZ 3.1Å; E70-D74 PolarHBondContact O-N 2.9Å |
| 71 | Q | 96.5 | Very high | 97 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -37.9 | 177.6 | -170.9 | 61.5 | 62.1 | 0 | 0 | 112.2 | N67 V68 D74 W75 W167 | N67-Q71 PolarHBondContact O-N 2.9Å; N67-Q71 VanDerWaalsContact O-N 3.12Å; V68-Q71 PolarHBondContact O-N 3.18Å; Q71-D74 PolarHBondContact O-N 2.94Å; Q71-W75 HydrophobicContact CG-CD2 3.85Å; Q71-W75 HydrophobicContact CG-CE3 3.93Å; Q71-W75 HydrophobicContact CG-CH2 3.59Å; Q71-W75 HydrophobicContact CG-CZ2 3.48Å; Q71-W75 VanDerWaalsContact CG-CZ2 3.48Å; Q71-W75 HydrophobicContact CG-CZ3 3.81Å; Q71-W75 VanDerWaalsContact NE2-CE2 3.31Å; Q71-W75 PolarHBondContact O-N 2.84Å; Q71-W75 VanDerWaalsContact O-N 3.08Å; Q71-W167 HydrophobicContact CB-CZ2 3.56Å; Q71-W167 HydrophobicContact CG-CZ2 3.67Å |
| 72 | L | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | 179.8 | -172.9 | 66.4 | 0 | 0 | 0 | 111.4 | A21 F24 V68 V69 E70 D74 W75 L76 V81 L84 I155 | A21-L72 HydrophobicContact CB-CD2 4.47Å; F24-L72 HydrophobicContact CB-CD2 3.96Å; F24-L72 HydrophobicContact CD2-CD2 3.43Å; F24-L72 VanDerWaalsContact CD2-CD2 3.43Å; F24-L72 HydrophobicContact CE2-CD2 4.16Å; F24-L72 HydrophobicContact CG-CD2 3.91Å; V68-L72 WeakPolarHBondContact O-CB 3.12Å; V68-L72 PolarHBondContact O-N 3.26Å; V69-L72 PolarHBondContact O-N 3.1Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 2.75Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 2.8Å; L72-W75 PolarHBondContact O-N 3.19Å; L72-L76 HydrophobicContact CD1-CD1 4.37Å; L72-L76 HydrophobicContact CD1-CG 4.34Å; L72-L76 HydrophobicContact CD2-CD1 4.42Å; L72-L76 HydrophobicContact CG-CD1 3.8Å; L72-L76 HydrophobicContact CG-CG 4.23Å; L72-L76 VanDerWaalsContact O-CB 3.27Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.94Å; L72-V81 HydrophobicContact CD1-CG1 4.12Å; L72-V81 HydrophobicContact CD1-CG2 3.87Å; L72-L84 HydrophobicContact CD2-CD1 3.95Å; L72-I155 HydrophobicContact CD1-CD1 4.04Å; L72-I155 HydrophobicContact CD1-CG2 4.37Å |
| 73 | K | 96.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 173.1 | -75.7 | -176.8 | -63.5 | 178 | 0 | 111.8 | E18 A21 V69 E70 L76 Y77 | E18-K73 HydrophobicContact CG-CD 4.15Å; A21-K73 HydrophobicContact CB-CB 4.45Å; A21-K73 HydrophobicContact CB-CD 4.3Å; A21-K73 HydrophobicContact CB-CG 3.34Å; V69-K73 WeakPolarHBondContact O-CG 3.44Å; V69-K73 PolarHBondContact O-N 3.4Å; E70-K73 VanDerWaalsContact CD-CE 3.42Å; E70-K73 PolarHBondContact O-N 3.23Å; E70-K73 VanDerWaalsContact OE1-CE 3.3Å; E70-K73 WeakPolarHBondContact OE1-CE 3.41Å; E70-K73 IonicContact OE1-NZ 2.82Å; E70-K73 PolarHBondContact OE1-NZ 2.83Å; E70-K73 WeakPolarHBondContact OE2-CE 3.27Å; E70-K73 IonicContact OE2-NZ 3.53Å; E70-K73 PolarHBondContact OE2-NZ 3.1Å; K73-L76 PolarHBondContact O-N 2.93Å; K73-Y77 WeakPolarHBondContact O-CB 3.39Å; K73-Y77 PolarHBondContact O-N 3.03Å |
| 74 | D | 96.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 46.2 Ų | 46.2 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -44 | 179.8 | -79.7 | -6.9 | 0 | 0 | 0 | 112.1 | E70 Q71 L72 K78 | E70-D74 PolarHBondContact O-N 2.9Å; Q71-D74 PolarHBondContact O-N 2.94Å; L72-D74 VanDerWaalsContact C-N 3.32Å; L72-D74 PolarHBondContact O-N 2.8Å; D74-K78 WeakPolarHBondContact O-CG 3.16Å; D74-K78 PolarHBondContact O-N 2.69Å; D74-K78 VanDerWaalsContact O-N 3.16Å |
| 75 | W | 97.4 | Very high | 97 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.5 | -36.3 | 178.8 | -65.2 | -26.2 | 0 | 0 | 0 | 112.9 | Q71 L72 K78 C79 S80 V81 I155 T157 L161 P164 W167 | Q71-W75 HydrophobicContact CG-CD2 3.85Å; Q71-W75 HydrophobicContact CG-CE3 3.93Å; Q71-W75 HydrophobicContact CG-CH2 3.59Å; Q71-W75 HydrophobicContact CG-CZ2 3.48Å; Q71-W75 VanDerWaalsContact CG-CZ2 3.48Å; Q71-W75 HydrophobicContact CG-CZ3 3.81Å; Q71-W75 VanDerWaalsContact NE2-CE2 3.31Å; Q71-W75 PolarHBondContact O-N 2.84Å; Q71-W75 VanDerWaalsContact O-N 3.08Å; L72-W75 PolarHBondContact O-N 3.19Å; W75-K78 CarbonylContact O-C 3.51Å; W75-K78 PolarHBondContact O-N 2.71Å; W75-C79 PolarHBondContact O-N 2.86Å; W75-C79 VanDerWaalsContact O-N 3.11Å; W75-S80 PolarHBondContact O-N 3.31Å; W75-V81 HydrophobicContact CB-CG2 3.3Å; W75-V81 HydrophobicContact CE3-CG2 4.47Å; W75-V81 HydrophobicContact CG-CG2 4.4Å; W75-I155 HydrophobicContact CE3-CD1 4.44Å; W75-I155 HydrophobicContact CE3-CG2 3.84Å; W75-I155 HydrophobicContact CZ3-CB 4.09Å; W75-I155 HydrophobicContact CZ3-CD1 3.97Å; W75-I155 HydrophobicContact CZ3-CG2 3.75Å; W75-T157 HydrophobicContact CD2-CG2 4.12Å; W75-T157 HydrophobicContact CE3-CG2 3.92Å; W75-T157 HydrophobicContact CZ3-CG2 4.15Å; W75-L161 HydrophobicContact CG-CD1 4.32Å; W75-L161 HydrophobicContact CZ2-CD2 3.83Å; W75-P164 HydrophobicContact CZ2-CG 3.83Å; W75-W167 AromaticContact CH2-CD2 3.71Å; W75-W167 HydrophobicContact CH2-CD2 3.71Å; W75-W167 AromaticContact CH2-CE2 3.98Å; W75-W167 AromaticContact CH2-CE3 3.68Å; W75-W167 HydrophobicContact CH2-CE3 3.68Å; W75-W167 HydrophobicContact CH2-CG 4.3Å; W75-W167 HydrophobicContact CH2-CH2 4.23Å; W75-W167 HydrophobicContact CH2-CZ2 4.24Å; W75-W167 AromaticContact CH2-CZ3 3.95Å; W75-W167 HydrophobicContact CH2-CZ3 3.95Å; W75-W167 HydrophobicContact CZ3-CD2 4.46Å; W75-W167 HydrophobicContact CZ3-CE3 4.14Å; W75-W167 HydrophobicContact CZ3-CH2 4.03Å; W75-W167 HydrophobicContact CZ3-CZ2 4.33Å; W75-W167 AromaticContact CZ3-CZ3 3.92Å; W75-W167 HydrophobicContact CZ3-CZ3 3.92Å |
| 76 | L | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 173.1 | -74.6 | 167.3 | 0 | 0 | 0 | 111 | A17 V20 A21 L72 K73 K78 C79 V81 I104 H191 | A17-L76 HydrophobicContact CB-CB 3.75Å; V20-L76 HydrophobicContact CB-CD1 3.9Å; V20-L76 HydrophobicContact CG1-CD1 3.64Å; V20-L76 HydrophobicContact CG1-CD2 3.98Å; V20-L76 HydrophobicContact CG1-CG 4.49Å; A21-L76 HydrophobicContact CB-CD1 4.17Å; L72-L76 HydrophobicContact CD1-CD1 4.37Å; L72-L76 HydrophobicContact CD1-CG 4.34Å; L72-L76 HydrophobicContact CD2-CD1 4.42Å; L72-L76 HydrophobicContact CG-CD1 3.8Å; L72-L76 HydrophobicContact CG-CG 4.23Å; L72-L76 VanDerWaalsContact O-CB 3.27Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.41Å; L72-L76 PolarHBondContact O-N 2.94Å; K73-L76 PolarHBondContact O-N 2.93Å; L76-K78 PolarHBondContact O-N 2.89Å; L76-C79 PolarHBondContact O-N 2.82Å; L76-V81 HydrophobicContact CD2-CB 4.28Å; L76-V81 HydrophobicContact CD2-CG2 4.3Å; L76-V81 HydrophobicContact CG-CG2 4.23Å; L76-I104 HydrophobicContact CD2-CD1 3.96Å; L76-I104 HydrophobicContact CD2-CG2 3.96Å; L76-H191 PolarHBondContact O-CE1 3.39Å; L76-H191 PolarHBondContact O-NE2 3.37Å |
| 77 | Y | 96.5 | Very high | 97.1 | Very high | 99 Ų | 99 | 37.5 Ų | 37.5 | 39% | 0.388 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.5 | -33.4 | 174.2 | 178.7 | -101.1 | 0 | 0 | 0 | 112.2 | L13 R14 K73 C79 K111 | L13-Y77 HydrophobicContact CB-CD2 4.4Å; L13-Y77 HydrophobicContact CB-CE2 4.31Å; L13-Y77 HydrophobicContact CD2-CD2 3.94Å; L13-Y77 HydrophobicContact CD2-CE2 3.83Å; L13-Y77 WeakPolarHBondContact CD2-O 3.12Å; L13-Y77 HydrophobicContact CG-CD2 3.72Å; L13-Y77 HydrophobicContact CG-CE2 3.94Å; R14-Y77 HydrophobicContact CB-CD2 4.27Å; R14-Y77 HydrophobicContact CB-CE2 4.36Å; K73-Y77 WeakPolarHBondContact O-CB 3.39Å; K73-Y77 PolarHBondContact O-N 3.03Å; Y77-C79 VanDerWaalsContact C-N 3.31Å; Y77-K111 WeakPolarHBondContact O-CE 3.27Å |
| 78 | K | 95.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 33.5 Ų | 33.5 | 49% | 0.487 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -80 | -9.5 | 176.2 | -69.3 | 171.8 | -176.1 | 173.3 | 0 | 113.7 | D74 W75 L76 S80 K111 | D74-K78 WeakPolarHBondContact O-CG 3.16Å; D74-K78 PolarHBondContact O-N 2.69Å; D74-K78 VanDerWaalsContact O-N 3.16Å; W75-K78 CarbonylContact O-C 3.51Å; W75-K78 PolarHBondContact O-N 2.71Å; L76-K78 PolarHBondContact O-N 2.89Å; K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 WeakPolarHBondContact CB-OG 3.4Å; K78-K111 PolarHBondContact O-NZ 2.98Å |
| 79 | C | 95.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 5% | 0.054 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 34.3 | -166.9 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | W75 L76 Y77 C106 K108 | W75-C79 PolarHBondContact O-N 2.86Å; W75-C79 VanDerWaalsContact O-N 3.11Å; L76-C79 PolarHBondContact O-N 2.82Å; Y77-C79 VanDerWaalsContact C-N 3.31Å; C79-C106 VanDerWaalsContact CA-SG 3.59Å; C79-C106 HydrophobicContact CB-CB 3.51Å; C79-C106 WeakPolarHBondContact CB-SG 3.49Å; C79-C106 WeakPolarHBondContact SG-CB 3.49Å; C79-C106 CovalentContact SG-SG 2.04Å; C79-C106 PolarHBondContact SG-SG 2.85Å; C79-K108 HydrophobicContact CB-CG 4.08Å |
| 80 | S | 96.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 13% | 0.126 | 16% | 0.157 | C | C | . | . | trans | -100.7 | -2.3 | -175.1 | -58 | 0 | 0 | 0 | 0 | 113.9 | W75 K78 T157 D158 L161 | W75-S80 PolarHBondContact O-N 3.31Å; K78-S80 VanDerWaalsContact C-N 3.26Å; K78-S80 WeakPolarHBondContact CB-OG 3.4Å; S80-T157 CarbonylContact O-C 3.49Å; S80-T157 WeakPolarHBondContact O-CA 3.45Å; S80-T157 VanDerWaalsContact O-CB 3.26Å; S80-T157 WeakPolarHBondContact O-CB 3.31Å; S80-D158 PolarHBondContact O-N 2.79Å; S80-D158 VanDerWaalsContact O-N 3.08Å; S80-L161 VanDerWaalsContact CB-CD1 3.44Å | ||
| 81 | V | 97.6 | Very high | 97 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.5 | 176 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | L72 W75 L76 I104 I155 | L72-V81 HydrophobicContact CD1-CG1 4.12Å; L72-V81 HydrophobicContact CD1-CG2 3.87Å; W75-V81 HydrophobicContact CB-CG2 3.3Å; W75-V81 HydrophobicContact CE3-CG2 4.47Å; W75-V81 HydrophobicContact CG-CG2 4.4Å; L76-V81 HydrophobicContact CD2-CB 4.28Å; L76-V81 HydrophobicContact CD2-CG2 4.3Å; L76-V81 HydrophobicContact CG-CG2 4.23Å; V81-I104 HydrophobicContact CB-CD1 4.29Å; V81-I104 HydrophobicContact CG1-CD1 3.7Å; V81-I155 HydrophobicContact CG1-CG2 3.78Å; V81-I155 HydrophobicContact CG2-CG2 4.48Å |
| 82 | Q | 97.4 | Very high | 96.9 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -41.1 | 177.3 | -60.9 | -179.4 | 11.9 | 0 | 0 | 111.6 | I104 Y156 D158 | Q82-I104 PolarHBondContact O-N 3.44Å; Q82-Y156 PolarHBondContact N-O 3.05Å; Q82-D158 PolarHBondContact NE2-OD1 3.24Å |
| 83 | K | 97.4 | Very high | 96.8 | Very high | 49 Ų | 49 | 44 Ų | 44 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 156.6 | 174.6 | 58.8 | -179.1 | 172 | -175.7 | 0 | 112.6 | V85 Q101 F102 D103 Y156 | K83-V85 HydrophobicContact CD-CG2 4.4Å; K83-Q101 HydrophobicContact CD-CG 4.13Å; K83-F102 CarbonylContact C-O 3.51Å; K83-F102 WeakPolarHBondContact CA-O 3.39Å; K83-F102 VanDerWaalsContact CB-O 3.28Å; K83-F102 WeakPolarHBondContact CB-O 3.27Å; K83-D103 WeakPolarHBondContact CD-OD1 3.46Å; K83-Y156 HydrophobicContact CD-CD2 4.12Å; K83-Y156 HydrophobicContact CD-CG 4.23Å; K83-Y156 HydrophobicContact CG-CD1 4.5Å; K83-Y156 HydrophobicContact CG-CD2 3.56Å; K83-Y156 HydrophobicContact CG-CE2 4.38Å; K83-Y156 HydrophobicContact CG-CG 3.62Å; K83-Y156 PolarHBondContact N-O 2.85Å; K83-Y156 PolarHBondContact O-N 2.86Å |
| 84 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.4 | 169.9 | 179.5 | 152.7 | 0 | 0 | 0 | 108.7 | F24 I28 L72 V86 F102 L153 L154 I155 | F24-L84 HydrophobicContact CB-CD1 4.42Å; F24-L84 HydrophobicContact CD1-CB 4.48Å; F24-L84 HydrophobicContact CD1-CD1 3.78Å; F24-L84 HydrophobicContact CD1-CD2 3.88Å; F24-L84 HydrophobicContact CD1-CG 4.28Å; F24-L84 HydrophobicContact CD2-CD1 4.38Å; F24-L84 HydrophobicContact CE1-CB 3.93Å; F24-L84 HydrophobicContact CE1-CD1 4.07Å; F24-L84 HydrophobicContact CE1-CD2 3.91Å; F24-L84 HydrophobicContact CE1-CG 4.2Å; F24-L84 HydrophobicContact CG-CD1 3.95Å; F24-L84 HydrophobicContact CZ-CB 4.07Å; F24-L84 HydrophobicContact CZ-CD1 4.48Å; I28-L84 HydrophobicContact CD1-CD1 4.43Å; I28-L84 HydrophobicContact CD1-CD2 4.5Å; L72-L84 HydrophobicContact CD2-CD1 3.95Å; L84-V86 HydrophobicContact CD2-CG2 4.09Å; L84-F102 HydrophobicContact CB-CB 4.5Å; L84-F102 HydrophobicContact CD2-CD2 3.76Å; L84-F102 HydrophobicContact CD2-CE2 4.3Å; L84-F102 PolarHBondContact N-O 3.46Å; L84-F102 PolarHBondContact O-N 2.89Å; L84-L153 HydrophobicContact CD1-CD1 4.26Å; L84-L153 HydrophobicContact CD2-CD1 3.73Å; L84-L153 HydrophobicContact CG-CD1 3.98Å; L84-L154 CarbonylContact C-O 3.53Å; L84-L154 WeakPolarHBondContact CA-O 3.45Å; L84-I155 HydrophobicContact CD1-CD1 4.43Å; L84-I155 HydrophobicContact CD1-CG1 4.19Å; L84-I155 HydrophobicContact CG-CG1 4.33Å |
| 85 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 125.6 | 179.4 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | K83 V87 R99 W100 Q101 L154 Y156 | K83-V85 HydrophobicContact CD-CG2 4.4Å; V85-V87 HydrophobicContact CG1-CG2 4Å; V85-R99 HydrophobicContact CG1-CB 4.14Å; V85-R99 HydrophobicContact CG1-CG 4.47Å; V85-W100 CarbonylContact C-O 3.51Å; V85-W100 VanDerWaalsContact CA-O 3.27Å; V85-W100 WeakPolarHBondContact CA-O 3.36Å; V85-Q101 HydrophobicContact CG2-CB 4.26Å; V85-Q101 HydrophobicContact CG2-CG 4.14Å; V85-L154 HydrophobicContact CB-CB 4.28Å; V85-L154 PolarHBondContact N-O 3.11Å; V85-L154 PolarHBondContact O-N 2.83Å; V85-Y156 HydrophobicContact CB-CE2 4.36Å; V85-Y156 HydrophobicContact CG2-CD2 4.14Å; V85-Y156 HydrophobicContact CG2-CE2 3.67Å |
| 86 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113 | 165.3 | -168.8 | 0 | 0 | 0 | 0 | 107.5 | I28 I31 L84 I88 W100 F102 F151 L153 | I28-V86 HydrophobicContact CG1-CG2 4Å; I31-V86 HydrophobicContact CD1-CB 4.46Å; I31-V86 HydrophobicContact CD1-CG2 4.13Å; I31-V86 HydrophobicContact CG2-CG1 4.23Å; L84-V86 HydrophobicContact CD2-CG2 4.09Å; V86-I88 HydrophobicContact CG1-CD1 4.05Å; V86-W100 HydrophobicContact CB-CB 4.12Å; V86-W100 PolarHBondContact N-O 3.49Å; V86-W100 PolarHBondContact O-N 2.85Å; V86-F102 HydrophobicContact CG2-CE2 4.39Å; V86-F151 HydrophobicContact CG1-CB 4.49Å; V86-F151 HydrophobicContact CG1-CD2 4.48Å; V86-L153 HydrophobicContact CG2-CD1 3.86Å |
| 87 | V | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.3 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | V85 V96 R99 F151 D152 L154 Q173 | V85-V87 HydrophobicContact CG1-CG2 4Å; V87-V96 HydrophobicContact CG1-CB 4.43Å; V87-V96 HydrophobicContact CG1-CG1 3.7Å; V87-V96 HydrophobicContact CG1-CG2 3.98Å; V87-R99 HydrophobicContact CG1-CG 4.49Å; V87-F151 CarbonylContact O-C 3.57Å; V87-F151 WeakPolarHBondContact O-CA 3.19Å; V87-D152 HydrophobicContact CB-CB 4.1Å; V87-D152 HydrophobicContact CG2-CB 4.4Å; V87-D152 PolarHBondContact N-O 3.13Å; V87-D152 PolarHBondContact O-N 3.43Å; V87-L154 HydrophobicContact CG2-CD1 3.71Å; V87-L154 HydrophobicContact CG2-CG 3.99Å; V87-Q173 HydrophobicContact CB-CB 4.47Å; V87-Q173 HydrophobicContact CG1-CB 3.92Å; V87-Q173 HydrophobicContact CG1-CG 4.41Å; V87-Q173 HydrophobicContact CG2-CB 3.85Å; V87-Q173 HydrophobicContact CG2-CG 4.25Å |
| 88 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.3 | 172.2 | -51.6 | -60.1 | 0 | 0 | 0 | 107.5 | I31 R35 I37 V86 L97 E98 L145 C149 F151 | I31-I88 HydrophobicContact CG2-CD1 4.15Å; R35-I88 HydrophobicContact CG-CG1 4.49Å; I37-I88 HydrophobicContact CD1-CD1 3.97Å; I37-I88 HydrophobicContact CD1-CG2 3.86Å; I37-I88 HydrophobicContact CG1-CD1 4.13Å; V86-I88 HydrophobicContact CG1-CD1 4.05Å; I88-L97 PolarHBondContact O-N 2.93Å; I88-E98 HydrophobicContact CB-CB 3.98Å; I88-E98 HydrophobicContact CB-CG 4.49Å; I88-E98 HydrophobicContact CG1-CB 4.15Å; I88-E98 PolarHBondContact N-O 3.12Å; I88-E98 PolarHBondContact O-N 3.33Å; I88-L145 HydrophobicContact CG2-CD1 4.25Å; I88-C149 HydrophobicContact CG2-CB 3.67Å; I88-F151 HydrophobicContact CD1-CB 4.04Å |
| 89 | S | 97.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 148.5 | -174.5 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | I91 E95 C149 S150 | S89-I91 PolarHBondContact O-N 3.49Å; S89-E95 CarbonylContact C-O 3.44Å; S89-E95 WeakPolarHBondContact CA-O 3.37Å; S89-C149 CarbonylContact O-C 3.57Å; S89-C149 WeakPolarHBondContact O-CA 3.22Å; S89-C149 WeakPolarHBondContact O-CB 3.45Å; S89-S150 PolarHBondContact N-O 3.08Å; S89-S150 VanDerWaalsContact N-O 3.09Å; S89-S150 PolarHBondContact O-N 2.97Å |
| 90 | N | 96 | Very high | 96.8 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 129.7 | 170 | -178.7 | -46.9 | 0 | 0 | 0 | 109.4 | E92 S93 G94 E95 L97 | N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 2.85Å; N90-E92 WeakPolarHBondContact OD1-CB 3.37Å; N90-E92 PolarHBondContact OD1-N 3.35Å; N90-S93 WeakPolarHBondContact CB-OG 3.31Å; N90-S93 PolarHBondContact OD1-N 3.44Å; N90-G94 VanDerWaalsContact O-CA 3.27Å; N90-G94 WeakPolarHBondContact O-CA 3.21Å; N90-G94 PolarHBondContact O-N 3.29Å; N90-E95 HydrophobicContact CB-CB 4.45Å; N90-E95 PolarHBondContact N-O 2.96Å; N90-L97 HydrophobicContact CB-CD1 4.2Å |
| 91 | I | 95.2 | Very high | 96.9 | Very high | 104 Ų | 104 | 36.4 Ų | 36.4 | 53% | 0.533 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28.6 | -175 | -159.8 | 169.7 | 0 | 0 | 0 | 113.3 | S89 S148 | S89-I91 PolarHBondContact O-N 3.49Å; I91-S148 WeakPolarHBondContact CB-O 3.42Å; I91-S148 VanDerWaalsContact CG2-O 3.31Å; I91-S148 WeakPolarHBondContact CG2-O 3.2Å; I91-S148 PolarHBondContact N-O 3.21Å |
| 92 | E | 94.1 | Very high | 96.9 | Very high | 180 Ų | 180 | 36.1 Ų | 36.1 | 84% | 0.841 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -45.6 | -176.3 | -60 | -175.1 | 169.6 | 0 | 0 | 111.8 | N90 | N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 2.85Å; N90-E92 WeakPolarHBondContact OD1-CB 3.37Å; N90-E92 PolarHBondContact OD1-N 3.35Å |
| 93 | S | 93.9 | Very high | 97 | Very high | 76 Ų | 76 | 34 Ų | 34 | 53% | 0.531 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -17.8 | -175.7 | 68.2 | 0 | 0 | 0 | 0 | 114 | N90 E95 | N90-S93 WeakPolarHBondContact CB-OG 3.31Å; N90-S93 PolarHBondContact OD1-N 3.44Å; S93-E95 PolarHBondContact O-N 3.33Å; S93-E95 WeakPolarHBondContact OG-CB 3.02Å; S93-E95 PolarHBondContact OG-N 3.28Å |
| 94 | G | 93.4 | Very high | 97 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 52% | 0.515 | 18% | 0.179 | S | C | . | . | trans | 69.3 | 8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N90 V96 | N90-G94 VanDerWaalsContact O-CA 3.27Å; N90-G94 WeakPolarHBondContact O-CA 3.21Å; N90-G94 PolarHBondContact O-N 3.29Å; G94-V96 PolarHBondContact O-N 3.07Å | ||
| 95 | E | 95.1 | Very high | 97 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | trans | -68.2 | 126 | -179.5 | -179.5 | 176.5 | -131.8 | 0 | 0 | 111.2 | S89 N90 S93 L97 K200 | S89-E95 CarbonylContact C-O 3.44Å; S89-E95 WeakPolarHBondContact CA-O 3.37Å; N90-E95 HydrophobicContact CB-CB 4.45Å; N90-E95 PolarHBondContact N-O 2.96Å; S93-E95 PolarHBondContact O-N 3.33Å; S93-E95 WeakPolarHBondContact OG-CB 3.02Å; S93-E95 PolarHBondContact OG-N 3.28Å; E95-L97 HydrophobicContact CG-CD2 4.15Å; E95-L97 PolarHBondContact O-N 2.89Å; E95-K200 IonicContact OE1-NZ 2.55Å; E95-K200 PolarHBondContact OE1-NZ 3.08Å | ||
| 96 | V | 97.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 116.6 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | V87 G94 R99 Q173 I175 | V87-V96 HydrophobicContact CG1-CB 4.43Å; V87-V96 HydrophobicContact CG1-CG1 3.7Å; V87-V96 HydrophobicContact CG1-CG2 3.98Å; G94-V96 PolarHBondContact O-N 3.07Å; V96-R99 HydrophobicContact CG1-CG 3.79Å; V96-Q173 HydrophobicContact CG2-CB 4.35Å; V96-I175 HydrophobicContact CG1-CB 3.9Å; V96-I175 HydrophobicContact CG1-CD1 4.32Å; V96-I175 HydrophobicContact CG1-CG1 4.08Å |
| 97 | L | 96.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.12 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -36.2 | -178.8 | -57.2 | -178.6 | 0 | 0 | 0 | 111.9 | I88 N90 E95 L145 V147 I175 Y199 K200 | I88-L97 PolarHBondContact O-N 2.93Å; N90-L97 HydrophobicContact CB-CD1 4.2Å; E95-L97 HydrophobicContact CG-CD2 4.15Å; E95-L97 PolarHBondContact O-N 2.89Å; L97-L145 HydrophobicContact CB-CD2 4.31Å; L97-L145 HydrophobicContact CD1-CD2 3.64Å; L97-V147 HydrophobicContact CD1-CG2 3.87Å; L97-I175 WeakPolarHBondContact O-CD1 3.49Å; L97-Y199 WeakPolarHBondContact O-CA 3.29Å; L97-K200 PolarHBondContact O-N 3.29Å |
| 98 | E | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.2 | 178 | -52.2 | 178.3 | 175.9 | 0 | 0 | 112.1 | R35 I88 W100 V197 A198 | R35-E98 IonicContact CZ-OE1 3.08Å; R35-E98 VanDerWaalsContact NE-CD 3.32Å; R35-E98 IonicContact NE-OE1 2.84Å; R35-E98 PolarHBondContact NE-OE1 3.16Å; R35-E98 IonicContact NE-OE2 3.09Å; R35-E98 PolarHBondContact NE-OE2 2.83Å; R35-E98 VanDerWaalsContact NE-OE2 3.09Å; R35-E98 IonicContact NH2-OE1 2.6Å; R35-E98 PolarHBondContact NH2-OE1 2.56Å; I88-E98 HydrophobicContact CB-CB 3.98Å; I88-E98 HydrophobicContact CB-CG 4.49Å; I88-E98 HydrophobicContact CG1-CB 4.15Å; I88-E98 PolarHBondContact N-O 3.12Å; I88-E98 PolarHBondContact O-N 3.33Å; E98-W100 PolarHBondContact OE2-NE1 3.28Å; E98-V197 HydrophobicContact CB-CG2 4.37Å; E98-A198 CarbonylContact C-O 3.54Å; E98-A198 VanDerWaalsContact CA-O 3.3Å; E98-A198 WeakPolarHBondContact CA-O 3.34Å |
| 99 | R | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 103.6 | 169.3 | -69.9 | 178 | 63.9 | 82.8 | -6.4 | 109.3 | V85 V87 V96 Q101 Y156 P172 Q173 I175 V197 A198 | V85-R99 HydrophobicContact CG1-CB 4.14Å; V85-R99 HydrophobicContact CG1-CG 4.47Å; V87-R99 HydrophobicContact CG1-CG 4.49Å; V96-R99 HydrophobicContact CG1-CG 3.79Å; R99-Q101 PolarHBondContact O-N 2.84Å; R99-Y156 PolarHBondContact NH2-OH 3.17Å; R99-P172 VanDerWaalsContact CZ-O 3.23Å; R99-P172 PolarHBondContact NH1-O 2.97Å; R99-P172 PolarHBondContact NH2-O 3.45Å; R99-P172 VanDerWaalsContact NH2-O 3.1Å; R99-Q173 WeakPolarHBondContact CD-O 3.35Å; R99-Q173 VanDerWaalsContact NH1-C 3.28Å; R99-Q173 PolarHBondContact NH1-O 3.09Å; R99-I175 HydrophobicContact CG-CB 4.09Å; R99-I175 HydrophobicContact CG-CG2 4.25Å; R99-V197 WeakPolarHBondContact O-CA 3.11Å; R99-A198 HydrophobicContact CB-CB 4.44Å; R99-A198 PolarHBondContact N-O 3.28Å; R99-A198 PolarHBondContact O-N 3.29Å |
| 100 | W | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 101.1 | 171.4 | -66.9 | 78.7 | 0 | 0 | 0 | 108.6 | I31 V85 V86 E98 F102 I135 T138 V139 L142 L183 M196 V197 | I31-W100 HydrophobicContact CD1-CB 3.78Å; I31-W100 HydrophobicContact CD1-CD2 3.75Å; I31-W100 HydrophobicContact CD1-CE3 3.9Å; I31-W100 HydrophobicContact CD1-CG 3.71Å; I31-W100 HydrophobicContact CG1-CD2 3.95Å; I31-W100 HydrophobicContact CG1-CE3 4.13Å; I31-W100 HydrophobicContact CG1-CG 4.26Å; I31-W100 HydrophobicContact CG2-CD2 4.45Å; I31-W100 HydrophobicContact CG2-CG 4.26Å; V85-W100 CarbonylContact C-O 3.51Å; V85-W100 VanDerWaalsContact CA-O 3.27Å; V85-W100 WeakPolarHBondContact CA-O 3.36Å; V86-W100 HydrophobicContact CB-CB 4.12Å; V86-W100 PolarHBondContact N-O 3.49Å; V86-W100 PolarHBondContact O-N 2.85Å; E98-W100 PolarHBondContact OE2-NE1 3.28Å; W100-F102 HydrophobicContact CB-CE2 4.08Å; W100-I135 HydrophobicContact CH2-CG2 4.15Å; W100-I135 HydrophobicContact CZ3-CB 4.29Å; W100-I135 HydrophobicContact CZ3-CG1 4.24Å; W100-I135 HydrophobicContact CZ3-CG2 3.89Å; W100-T138 HydrophobicContact CH2-CG2 4.25Å; W100-V139 HydrophobicContact CH2-CG2 4.04Å; W100-V139 HydrophobicContact CZ2-CG2 4Å; W100-L142 HydrophobicContact CH2-CD1 4.41Å; W100-L142 HydrophobicContact CZ2-CD1 3.77Å; W100-L183 HydrophobicContact CZ3-CD2 4.44Å; W100-M196 CarbonylContact C-O 3.52Å; W100-V197 HydrophobicContact CD2-CB 3.83Å; W100-V197 HydrophobicContact CD2-CG2 3.76Å; W100-V197 HydrophobicContact CE3-CB 3.87Å; W100-V197 HydrophobicContact CE3-CG2 4.31Å; W100-V197 HydrophobicContact CG-CB 4.32Å; W100-V197 HydrophobicContact CG-CG2 3.99Å; W100-V197 HydrophobicContact CH2-CB 4.38Å; W100-V197 HydrophobicContact CH2-CG1 4.33Å; W100-V197 HydrophobicContact CZ2-CB 4.34Å; W100-V197 HydrophobicContact CZ2-CG2 4.07Å; W100-V197 HydrophobicContact CZ3-CB 4.15Å; W100-V197 HydrophobicContact CZ3-CG1 4.32Å |
| 101 | Q | 98.2 | Very high | 95.6 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 132.2 | -176.5 | 178 | 174.5 | -71.2 | 0 | 0 | 110.8 | K83 V85 R99 D103 M196 | K83-Q101 HydrophobicContact CD-CG 4.13Å; V85-Q101 HydrophobicContact CG2-CB 4.26Å; V85-Q101 HydrophobicContact CG2-CG 4.14Å; R99-Q101 PolarHBondContact O-N 2.84Å; Q101-D103 VanDerWaalsContact NE2-CG 3.34Å; Q101-D103 PolarHBondContact NE2-OD1 3.27Å; Q101-D103 VanDerWaalsContact NE2-OD1 3.1Å; Q101-D103 PolarHBondContact NE2-OD2 3.07Å; Q101-M196 HydrophobicContact CB-CE 4.24Å; Q101-M196 HydrophobicContact CB-CG 3.95Å; Q101-M196 HydrophobicContact CB-SD 4.09Å; Q101-M196 HydrophobicContact CG-CG 4.48Å; Q101-M196 PolarHBondContact N-O 3.44Å; Q101-M196 PolarHBondContact O-N 3.44Å; Q101-M196 VanDerWaalsContact O-O 3.12Å |
| 102 | F | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.3 | 176.6 | -58.7 | -87.6 | 0 | 0 | 0 | 109.7 | F23 F24 I31 K83 L84 V86 W100 I135 V193 N194 S195 | F23-F102 HydrophobicContact CE1-CD1 4.14Å; F23-F102 HydrophobicContact CE1-CE1 4.17Å; F23-F102 HydrophobicContact CZ-CD1 4.39Å; F23-F102 HydrophobicContact CZ-CE1 4.07Å; F24-F102 HydrophobicContact CD1-CG 4.48Å; F24-F102 HydrophobicContact CE1-CB 3.46Å; F24-F102 VanDerWaalsContact CE1-CB 3.46Å; F24-F102 HydrophobicContact CE1-CD1 4.06Å; F24-F102 AromaticContact CE1-CD2 3.89Å; F24-F102 HydrophobicContact CE1-CD2 3.89Å; F24-F102 AromaticContact CE1-CG 3.55Å; F24-F102 HydrophobicContact CE1-CG 3.55Å; F24-F102 HydrophobicContact CZ-CB 3.78Å; F24-F102 HydrophobicContact CZ-CG 4.34Å; I31-F102 HydrophobicContact CD1-CE2 4.03Å; I31-F102 HydrophobicContact CD1-CZ 3.9Å; K83-F102 CarbonylContact C-O 3.51Å; K83-F102 WeakPolarHBondContact CA-O 3.39Å; K83-F102 VanDerWaalsContact CB-O 3.28Å; K83-F102 WeakPolarHBondContact CB-O 3.27Å; L84-F102 HydrophobicContact CB-CB 4.5Å; L84-F102 HydrophobicContact CD2-CD2 3.76Å; L84-F102 HydrophobicContact CD2-CE2 4.3Å; L84-F102 PolarHBondContact N-O 3.46Å; L84-F102 PolarHBondContact O-N 2.89Å; V86-F102 HydrophobicContact CG2-CE2 4.39Å; W100-F102 HydrophobicContact CB-CE2 4.08Å; F102-I135 HydrophobicContact CE1-CD1 4.29Å; F102-I135 HydrophobicContact CZ-CD1 4.29Å; F102-V193 HydrophobicContact CB-CG1 4.19Å; F102-V193 HydrophobicContact CD1-CG1 4.31Å; F102-N194 CarbonylContact C-O 3.54Å; F102-N194 WeakPolarHBondContact CA-O 3.43Å; F102-S195 WeakPolarHBondContact CD1-OG 3.15Å |
| 103 | D | 98.3 | Very high | 95 | Very high | 51 Ų | 51 | 51 Ų | 51 | 27% | 0.273 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.7 | 178.7 | -62.2 | -61 | 0 | 0 | 0 | 110.5 | K83 Q101 V193 N194 | K83-D103 WeakPolarHBondContact CD-OD1 3.46Å; Q101-D103 VanDerWaalsContact NE2-CG 3.34Å; Q101-D103 PolarHBondContact NE2-OD1 3.27Å; Q101-D103 VanDerWaalsContact NE2-OD1 3.1Å; Q101-D103 PolarHBondContact NE2-OD2 3.07Å; D103-V193 WeakPolarHBondContact O-CA 3.31Å; D103-N194 HydrophobicContact CB-CB 4.37Å; D103-N194 PolarHBondContact N-O 2.81Å; D103-N194 PolarHBondContact O-N 3.14Å |
| 104 | I | 98.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.4 | -172.8 | -51.4 | -178.6 | 0 | 0 | 0 | 109.3 | F24 L76 V81 Q82 K192 | F24-I104 HydrophobicContact CE2-CD1 3.57Å; F24-I104 HydrophobicContact CE2-CG1 4.46Å; F24-I104 HydrophobicContact CZ-CD1 3.63Å; F24-I104 HydrophobicContact CZ-CG1 4.16Å; L76-I104 HydrophobicContact CD2-CD1 3.96Å; L76-I104 HydrophobicContact CD2-CG2 3.96Å; V81-I104 HydrophobicContact CB-CD1 4.29Å; V81-I104 HydrophobicContact CG1-CD1 3.7Å; Q82-I104 PolarHBondContact O-N 3.44Å; I104-K192 WeakPolarHBondContact CA-O 3.38Å |
| 105 | E | 97.9 | Very high | 94.5 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 45% | 0.453 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.4 | 170.1 | -59.1 | 165.9 | -135 | 0 | 0 | 108.4 | H191 K192 N194 | E105-H191 CarbonylContact O-C 3.52Å; E105-H191 VanDerWaalsContact O-CA 3.29Å; E105-H191 WeakPolarHBondContact O-CA 3.37Å; E105-K192 HydrophobicContact CB-CB 4.26Å; E105-K192 PolarHBondContact N-O 3.43Å; E105-K192 PolarHBondContact O-N 3.22Å; E105-K192 IonicContact OE1-NZ 2.56Å; E105-K192 PolarHBondContact OE1-NZ 3.46Å; E105-K192 IonicContact OE2-NZ 2.69Å; E105-K192 PolarHBondContact OE2-NZ 2.64Å; E105-N194 PolarHBondContact OE1-ND2 3.01Å |
| 106 | C | 96.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.5 | 177.7 | -161.6 | 0 | 0 | 0 | 0 | 111.3 | C79 K108 I190 H191 | C79-C106 VanDerWaalsContact CA-SG 3.59Å; C79-C106 HydrophobicContact CB-CB 3.51Å; C79-C106 WeakPolarHBondContact CB-SG 3.49Å; C79-C106 WeakPolarHBondContact SG-CB 3.49Å; C79-C106 CovalentContact SG-SG 2.04Å; C79-C106 PolarHBondContact SG-SG 2.85Å; C106-K108 PolarHBondContact O-N 3.31Å; C106-K108 VanDerWaalsContact O-N 3.15Å; C106-I190 CarbonylContact C-O 3.58Å; C106-I190 WeakPolarHBondContact CA-O 3.43Å; C106-H191 PolarHBondContact SG-NE2 2.91Å |
| 107 | D | 95.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 55.9 Ų | 55.9 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -73.5 | 98.6 | 167.7 | -176.1 | -2.3 | 0 | 0 | 0 | 109.3 | T109 A110 R117 I190 | D107-T109 VanDerWaalsContact CG-OG1 3.25Å; D107-T109 PolarHBondContact O-N 2.85Å; D107-T109 WeakPolarHBondContact OD1-CB 3.36Å; D107-T109 PolarHBondContact OD1-N 2.85Å; D107-T109 PolarHBondContact OD1-OG1 2.9Å; D107-T109 PolarHBondContact OD2-OG1 2.86Å; D107-A110 VanDerWaalsContact O-CB 3.28Å; D107-A110 WeakPolarHBondContact O-CB 3.36Å; D107-A110 PolarHBondContact O-N 2.92Å; D107-A110 VanDerWaalsContact O-N 3.13Å; D107-R117 IonicContact OD2-CZ 3.32Å; D107-R117 IonicContact OD2-NH1 2.69Å; D107-R117 PolarHBondContact OD2-NH1 3.27Å; D107-R117 IonicContact OD2-NH2 3.15Å; D107-R117 PolarHBondContact OD2-NH2 3.44Å; D107-R117 VanDerWaalsContact OD2-NH2 3.11Å; D107-I190 PolarHBondContact N-O 3.45Å | ||
| 108 | K | 92.7 | Very high | 93.9 | Very high | 136 Ų | 136 | 64.3 Ų | 64.3 | 59% | 0.591 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -64.5 | -18.2 | -179.7 | -64 | -173.4 | 178.2 | -172.3 | 0 | 113.1 | C79 C106 A110 | C79-K108 HydrophobicContact CB-CG 4.08Å; C106-K108 PolarHBondContact O-N 3.31Å; C106-K108 VanDerWaalsContact O-N 3.15Å; K108-A110 VanDerWaalsContact C-N 3.28Å |
| 109 | T | 93.2 | Very high | 93.7 | Very high | 77 Ų | 77 | 65.5 Ų | 65.5 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -77.5 | -14.5 | 177.2 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | D107 K111 D112 | D107-T109 VanDerWaalsContact CG-OG1 3.25Å; D107-T109 PolarHBondContact O-N 2.85Å; D107-T109 WeakPolarHBondContact OD1-CB 3.36Å; D107-T109 PolarHBondContact OD1-N 2.85Å; D107-T109 PolarHBondContact OD1-OG1 2.9Å; D107-T109 PolarHBondContact OD2-OG1 2.86Å; T109-K111 PolarHBondContact O-N 3.14Å; T109-D112 PolarHBondContact O-N 3.33Å |
| 110 | A | 90.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -64.7 | -13.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D107 K108 D112 D113 I190 | D107-A110 VanDerWaalsContact O-CB 3.28Å; D107-A110 WeakPolarHBondContact O-CB 3.36Å; D107-A110 PolarHBondContact O-N 2.92Å; D107-A110 VanDerWaalsContact O-N 3.13Å; K108-A110 VanDerWaalsContact C-N 3.28Å; A110-D112 VanDerWaalsContact C-N 3.3Å; A110-D113 WeakPolarHBondContact CA-OD2 3.41Å; A110-I190 HydrophobicContact CB-CB 4.23Å; A110-I190 HydrophobicContact CB-CD1 4Å; A110-I190 HydrophobicContact CB-CG1 3.84Å; A110-I190 HydrophobicContact CB-CG2 3.53Å |
| 111 | K | 86.9 | Confident | 93.2 | Very high | 107 Ų | 107 | 72 Ų | 72 | 47% | 0.465 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -70.9 | -27.4 | 171.1 | -71.5 | 179.5 | -173.9 | 171.5 | 0 | 112.4 | L13 Y77 K78 T109 | L13-K111 HydrophobicContact CD2-CB 4.35Å; L13-K111 HydrophobicContact CD2-CD 4.2Å; L13-K111 HydrophobicContact CD2-CG 3.25Å; Y77-K111 WeakPolarHBondContact O-CE 3.27Å; K78-K111 PolarHBondContact O-NZ 2.98Å; T109-K111 PolarHBondContact O-N 3.14Å |
| 112 | D | 90.3 | Very high | 93.1 | Very high | 140 Ų | 140 | 76.8 Ų | 76.8 | 75% | 0.749 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -97.8 | 0.4 | -175.2 | -55.8 | -43.7 | 0 | 0 | 0 | 112.4 | T109 A110 S114 | T109-D112 PolarHBondContact O-N 3.33Å; A110-D112 VanDerWaalsContact C-N 3.3Å; D112-S114 PolarHBondContact O-N 3.28Å |
| 113 | D | 87.9 | Confident | 93 | Very high | 58 Ų | 58 | 78.3 Ų | 78.3 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | trans | -62.9 | 122.3 | 178.4 | -75.1 | -18.8 | 0 | 0 | 0 | 110.9 | A110 A115 R117 | A110-D113 WeakPolarHBondContact CA-OD2 3.41Å; D113-A115 PolarHBondContact O-N 3.09Å; D113-R117 IonicContact OD1-CZ 3.36Å; D113-R117 IonicContact OD1-NE 3.03Å; D113-R117 PolarHBondContact OD1-NE 3.4Å; D113-R117 IonicContact OD1-NH2 2.8Å; D113-R117 PolarHBondContact OD1-NH2 3.33Å; D113-R117 IonicContact OD2-CZ 2.91Å; D113-R117 VanDerWaalsContact OD2-CZ 3.32Å; D113-R117 IonicContact OD2-NE 2.67Å; D113-R117 PolarHBondContact OD2-NE 2.99Å; D113-R117 IonicContact OD2-NH2 2.74Å; D113-R117 PolarHBondContact OD2-NH2 2.98Å; D113-R117 VanDerWaalsContact OD2-NH2 3.15Å | ||
| 114 | S | 86 | Confident | 92.9 | Very high | 134 Ų | 134 | 76 Ų | 76 | 94% | 0.937 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -73.7 | -14 | 174.3 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | D112 | D112-S114 PolarHBondContact O-N 3.28Š|
| 115 | A | 89.3 | Confident | 92.8 | Very high | 59 Ų | 59 | 78.9 Ų | 78.9 | 49% | 0.488 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -144.4 | 148.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | D113 | D113-A115 PolarHBondContact O-N 3.09Š|
| 116 | P | 91.4 | Very high | 92.8 | Very high | 69 Ų | 69 | 76.9 Ų | 76.9 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -57.5 | 143.2 | 175.3 | -23.7 | 34.3 | 0 | 0 | 0 | 112.4 | T12 | T12-P116 HydrophobicContact CG2-CB 4.2Å; T12-P116 HydrophobicContact CG2-CG 4.05Å | ||
| 117 | R | 92.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 78.3 Ų | 78.3 | 25% | 0.245 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 137.7 | 178.5 | -65.6 | -79.5 | 170.8 | 125.9 | -1.7 | 111.1 | G10 I11 D107 D113 K119 T189 I190 | G10-R117 CarbonylContact C-O 3.57Å; G10-R117 WeakPolarHBondContact CA-O 3.37Å; I11-R117 HydrophobicContact CB-CB 4.43Å; I11-R117 PolarHBondContact N-O 3.23Å; I11-R117 PolarHBondContact O-N 3.02Å; D107-R117 IonicContact OD2-CZ 3.32Å; D107-R117 IonicContact OD2-NH1 2.69Å; D107-R117 PolarHBondContact OD2-NH1 3.27Å; D107-R117 IonicContact OD2-NH2 3.15Å; D107-R117 PolarHBondContact OD2-NH2 3.44Å; D107-R117 VanDerWaalsContact OD2-NH2 3.11Å; D113-R117 IonicContact OD1-CZ 3.36Å; D113-R117 IonicContact OD1-NE 3.03Å; D113-R117 PolarHBondContact OD1-NE 3.4Å; D113-R117 IonicContact OD1-NH2 2.8Å; D113-R117 PolarHBondContact OD1-NH2 3.33Å; D113-R117 IonicContact OD2-CZ 2.91Å; D113-R117 VanDerWaalsContact OD2-CZ 3.32Å; D113-R117 IonicContact OD2-NE 2.67Å; D113-R117 PolarHBondContact OD2-NE 2.99Å; D113-R117 IonicContact OD2-NH2 2.74Å; D113-R117 PolarHBondContact OD2-NH2 2.98Å; D113-R117 VanDerWaalsContact OD2-NH2 3.15Å; R117-K119 PolarHBondContact O-N 2.79Å; R117-T189 WeakPolarHBondContact CB-OG1 3.46Å; R117-T189 WeakPolarHBondContact CG-OG1 3.39Å; R117-I190 HydrophobicContact CG-CD1 4.14Å; R117-I190 HydrophobicContact CG-CG1 3.9Å |
| 118 | E | 91.8 | Very high | 93 | Very high | 200 Ų | 200 | 76.1 Ų | 76.1 | 94% | 0.935 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -79.2 | 81.2 | -179.2 | -64.6 | -171.5 | 161.4 | 0 | 0 | 111.7 | ||
| 119 | K | 94.2 | Very high | 93.2 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 13% | 0.13 | 39% | 0.389 | C | S | . | . | trans | -140.1 | 126.8 | 165.7 | -170.2 | 170.1 | -176.8 | 173.4 | 0 | 109.9 | I11 R117 A123 I124 E127 T187 T189 | I11-K119 HydrophobicContact CG1-CB 4.29Å; I11-K119 WeakPolarHBondContact CG1-O 3.32Å; R117-K119 PolarHBondContact O-N 2.79Å; K119-A123 HydrophobicContact CG-CB 4.43Å; K119-I124 HydrophobicContact CB-CD1 4.48Å; K119-I124 HydrophobicContact CD-CD1 4.25Å; K119-I124 HydrophobicContact CD-CG1 3.74Å; K119-I124 HydrophobicContact CG-CD1 4.18Å; K119-I124 HydrophobicContact CG-CG1 3.87Å; K119-E127 WeakPolarHBondContact CE-OE1 3.37Å; K119-E127 IonicContact NZ-OE1 3.44Å; K119-E127 PolarHBondContact NZ-OE1 2.87Å; K119-E127 IonicContact NZ-OE2 2.83Å; K119-E127 PolarHBondContact NZ-OE2 3.29Å; K119-T187 WeakPolarHBondContact CE-O 3.47Å; K119-T187 PolarHBondContact NZ-O 2.92Å; K119-T189 HydrophobicContact CB-CG2 3.86Å; K119-T189 HydrophobicContact CD-CG2 3.69Å; K119-T189 HydrophobicContact CG-CG2 4.36Å | ||
| 120 | S | 93.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | trans | -68.7 | 143.1 | -179 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | K122 A123 I124 | S120-K122 PolarHBondContact O-N 2.89Å; S120-A123 PolarHBondContact O-N 3.19Å; S120-A123 VanDerWaalsContact O-N 3.08Å; S120-A123 WeakPolarHBondContact OG-CB 3.43Å; S120-A123 PolarHBondContact OG-N 2.8Å; S120-A123 VanDerWaalsContact OG-N 3.13Å; S120-I124 PolarHBondContact O-N 3.2Å | ||
| 121 | Q | 93.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 70.1 Ų | 70.1 | 41% | 0.407 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53 | -38.5 | 171.6 | -71 | -67.7 | -18.2 | 0 | 0 | 111.9 | A123 I124 Q125 | Q121-A123 PolarHBondContact O-N 2.66Å; Q121-I124 PolarHBondContact O-N 3.23Å; Q121-Q125 WeakPolarHBondContact O-CB 3.17Å; Q121-Q125 VanDerWaalsContact O-CG 3.27Å; Q121-Q125 WeakPolarHBondContact O-CG 3.3Å; Q121-Q125 PolarHBondContact O-N 2.97Å |
| 122 | K | 94.4 | Very high | 94.1 | Very high | 136 Ų | 136 | 65.1 Ų | 65.1 | 59% | 0.591 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60 | -46.3 | 177.1 | 178.9 | 171.6 | 170.6 | 48.2 | 0 | 112.3 | S120 I124 Q125 D126 | S120-K122 PolarHBondContact O-N 2.89Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 2.92Å; K122-Q125 PolarHBondContact O-N 2.92Å; K122-D126 IonicContact NZ-OD1 3.68Å; K122-D126 IonicContact NZ-OD2 3.19Å; K122-D126 PolarHBondContact NZ-OD2 3.5Å; K122-D126 WeakPolarHBondContact O-CB 3.33Å; K122-D126 PolarHBondContact O-N 3.49Å |
| 123 | A | 96.5 | Very high | 94.4 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K119 S120 Q121 D126 E127 | K119-A123 HydrophobicContact CG-CB 4.43Å; S120-A123 PolarHBondContact O-N 3.19Å; S120-A123 VanDerWaalsContact O-N 3.08Å; S120-A123 WeakPolarHBondContact OG-CB 3.43Å; S120-A123 PolarHBondContact OG-N 2.8Å; S120-A123 VanDerWaalsContact OG-N 3.13Å; Q121-A123 PolarHBondContact O-N 2.66Å; A123-D126 PolarHBondContact O-N 2.8Å; A123-E127 PolarHBondContact O-N 2.94Å; A123-E127 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 177.6 | -59.3 | 168.2 | 0 | 0 | 0 | 111 | I11 I19 K119 S120 Q121 K122 D126 E127 I128 T188 | I11-I124 HydrophobicContact CD1-CD1 3.43Å; I11-I124 VanDerWaalsContact CD1-CD1 3.43Å; I11-I124 HydrophobicContact CG1-CD1 3.65Å; I19-I124 HydrophobicContact CD1-CD1 4.2Å; I19-I124 HydrophobicContact CG2-CG2 3.79Å; K119-I124 HydrophobicContact CB-CD1 4.48Å; K119-I124 HydrophobicContact CD-CD1 4.25Å; K119-I124 HydrophobicContact CD-CG1 3.74Å; K119-I124 HydrophobicContact CG-CD1 4.18Å; K119-I124 HydrophobicContact CG-CG1 3.87Å; S120-I124 PolarHBondContact O-N 3.2Å; Q121-I124 PolarHBondContact O-N 3.23Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 2.92Å; I124-D126 VanDerWaalsContact C-N 3.29Å; I124-D126 PolarHBondContact O-N 2.76Å; I124-E127 PolarHBondContact O-N 2.78Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.45Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.25Å; I124-T188 HydrophobicContact CD1-CG2 4.38Å; I124-T188 HydrophobicContact CG2-CG2 4.18Å |
| 125 | Q | 96.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 176.1 | -70.8 | -179.2 | 16.5 | 0 | 0 | 112.4 | Y49 Q121 K122 R129 | Y49-Q125 HydrophobicContact CD1-CB 4.11Å; Y49-Q125 HydrophobicContact CD1-CG 3.91Å; Y49-Q125 HydrophobicContact CE1-CG 4.28Å; Q121-Q125 WeakPolarHBondContact O-CB 3.17Å; Q121-Q125 VanDerWaalsContact O-CG 3.27Å; Q121-Q125 WeakPolarHBondContact O-CG 3.3Å; Q121-Q125 PolarHBondContact O-N 2.97Å; K122-Q125 PolarHBondContact O-N 2.92Å; Q125-R129 VanDerWaalsContact O-CB 3.3Å; Q125-R129 WeakPolarHBondContact O-CB 3.45Å; Q125-R129 PolarHBondContact O-N 3.3Å |
| 126 | D | 97.5 | Very high | 95.5 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 177.9 | -68 | -15.9 | 0 | 0 | 0 | 111.3 | K122 A123 I124 R129 S130 | K122-D126 IonicContact NZ-OD1 3.68Å; K122-D126 IonicContact NZ-OD2 3.19Å; K122-D126 PolarHBondContact NZ-OD2 3.5Å; K122-D126 WeakPolarHBondContact O-CB 3.33Å; K122-D126 PolarHBondContact O-N 3.49Å; A123-D126 PolarHBondContact O-N 2.8Å; I124-D126 VanDerWaalsContact C-N 3.29Å; I124-D126 PolarHBondContact O-N 2.76Å; D126-R129 IonicContact OD1-CZ 3.17Å; D126-R129 IonicContact OD1-NH1 2.66Å; D126-R129 PolarHBondContact OD1-NH1 2.99Å; D126-R129 IonicContact OD1-NH2 2.8Å; D126-R129 PolarHBondContact OD1-NH2 2.84Å; D126-S130 PolarHBondContact O-N 2.84Å |
| 127 | E | 98.2 | Very high | 95.7 | Very high | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.7 | -49.5 | 171.1 | -70.9 | 172.9 | -158.2 | 0 | 0 | 111.8 | K119 A123 I124 R129 S130 V131 F186 T187 | K119-E127 WeakPolarHBondContact CE-OE1 3.37Å; K119-E127 IonicContact NZ-OE1 3.44Å; K119-E127 PolarHBondContact NZ-OE1 2.87Å; K119-E127 IonicContact NZ-OE2 2.83Å; K119-E127 PolarHBondContact NZ-OE2 3.29Å; A123-E127 PolarHBondContact O-N 2.94Å; A123-E127 VanDerWaalsContact O-N 3.09Å; I124-E127 PolarHBondContact O-N 2.78Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 2.92Å; E127-S130 WeakPolarHBondContact O-CA 3.47Å; E127-S130 VanDerWaalsContact O-CB 3.27Å; E127-S130 WeakPolarHBondContact O-CB 3.48Å; E127-S130 PolarHBondContact O-N 2.86Å; E127-V131 PolarHBondContact O-N 2.94Å; E127-V131 VanDerWaalsContact O-N 3.14Å; E127-F186 HydrophobicContact CB-CB 3.63Å; E127-T187 PolarHBondContact OE2-N 2.65Å |
| 128 | I | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.5 | -44 | 177.1 | -72.8 | 169.4 | 0 | 0 | 0 | 110.9 | I19 F23 Y49 I124 S130 V131 I132 F186 | I19-I128 HydrophobicContact CG2-CD1 3.62Å; F23-I128 HydrophobicContact CB-CD1 4.46Å; F23-I128 HydrophobicContact CD2-CG1 4.46Å; F23-I128 HydrophobicContact CD2-CG2 3.78Å; Y49-I128 HydrophobicContact CD1-CB 4.4Å; Y49-I128 HydrophobicContact CD1-CG2 3.91Å; Y49-I128 HydrophobicContact CD2-CG2 3.59Å; Y49-I128 HydrophobicContact CE1-CB 4.48Å; Y49-I128 HydrophobicContact CE1-CD1 4.15Å; Y49-I128 HydrophobicContact CE1-CG2 3.88Å; Y49-I128 HydrophobicContact CE2-CG2 3.54Å; Y49-I128 HydrophobicContact CG-CG2 3.78Å; I124-I128 HydrophobicContact CG2-CD1 3.85Å; I124-I128 HydrophobicContact CG2-CG1 4.45Å; I124-I128 WeakPolarHBondContact O-CG1 3.44Å; I124-I128 PolarHBondContact O-N 3.25Å; I128-S130 PolarHBondContact O-N 3.06Å; I128-V131 PolarHBondContact O-N 2.92Å; I128-I132 HydrophobicContact CG2-CG1 4.11Å; I128-I132 WeakPolarHBondContact O-CG1 3.33Å; I128-I132 PolarHBondContact O-N 3.41Å; I128-F186 HydrophobicContact CD1-CD2 4.13Å; I128-F186 HydrophobicContact CD1-CE2 3.98Å; I128-F186 HydrophobicContact CD1-CZ 4.47Å; I128-F186 HydrophobicContact CG1-CB 4.38Å; I128-F186 HydrophobicContact CG1-CD1 4.16Å; I128-F186 HydrophobicContact CG1-CD2 3.61Å; I128-F186 HydrophobicContact CG1-CE1 4.33Å; I128-F186 HydrophobicContact CG1-CE2 3.81Å; I128-F186 HydrophobicContact CG1-CG 3.79Å; I128-F186 HydrophobicContact CG1-CZ 4.17Å |
| 129 | R | 97.1 | Very high | 95.9 | Very high | 64 Ų | 64 | 47 Ų | 47 | 24% | 0.242 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -53.6 | -43.6 | 175.2 | -175.5 | -169.2 | -57.9 | 106.9 | 17.4 | 111.2 | Y49 L51 Q125 D126 E127 V131 R133 | Y49-R129 VanDerWaalsContact O-CZ 3.23Å; Y49-R129 PolarHBondContact O-NE 2.84Å; Y49-R129 PolarHBondContact O-NH2 2.88Å; L51-R129 HydrophobicContact CD1-CB 4.49Å; L51-R129 HydrophobicContact CD1-CG 3.68Å; L51-R129 HydrophobicContact CD2-CG 3.79Å; L51-R129 HydrophobicContact CG-CG 3.72Å; Q125-R129 VanDerWaalsContact O-CB 3.3Å; Q125-R129 WeakPolarHBondContact O-CB 3.45Å; Q125-R129 PolarHBondContact O-N 3.3Å; D126-R129 IonicContact OD1-CZ 3.17Å; D126-R129 IonicContact OD1-NH1 2.66Å; D126-R129 PolarHBondContact OD1-NH1 2.99Å; D126-R129 IonicContact OD1-NH2 2.8Å; D126-R129 PolarHBondContact OD1-NH2 2.84Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 2.92Å; R129-V131 VanDerWaalsContact C-N 3.34Å; R129-R133 WeakPolarHBondContact O-CB 3.41Å; R129-R133 WeakPolarHBondContact O-CG 3.42Å; R129-R133 PolarHBondContact O-N 3.06Å |
| 130 | S | 96.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 179.2 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | D126 E127 I128 Q134 R184 | D126-S130 PolarHBondContact O-N 2.84Å; E127-S130 WeakPolarHBondContact O-CA 3.47Å; E127-S130 VanDerWaalsContact O-CB 3.27Å; E127-S130 WeakPolarHBondContact O-CB 3.48Å; E127-S130 PolarHBondContact O-N 2.86Å; I128-S130 PolarHBondContact O-N 3.06Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 2.86Å; S130-Q134 VanDerWaalsContact O-N 3.14Å; S130-R184 WeakPolarHBondContact OG-CD 3.36Å |
| 131 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.3 | -47.8 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 111 | F23 E127 I128 R129 R133 Q134 I135 R184 F186 | F23-V131 HydrophobicContact CE2-CB 4.17Å; F23-V131 HydrophobicContact CE2-CG1 3.79Å; F23-V131 HydrophobicContact CZ-CG1 3.72Å; E127-V131 PolarHBondContact O-N 2.94Å; E127-V131 VanDerWaalsContact O-N 3.14Å; I128-V131 PolarHBondContact O-N 2.92Å; R129-V131 VanDerWaalsContact C-N 3.34Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 3.29Å; V131-Q134 CarbonylContact O-C 3.57Å; V131-Q134 WeakPolarHBondContact O-CA 3.5Å; V131-Q134 WeakPolarHBondContact O-CB 3.4Å; V131-Q134 PolarHBondContact O-N 2.98Å; V131-I135 PolarHBondContact O-N 3.26Å; V131-R184 HydrophobicContact CG2-CB 4.27Å; V131-R184 WeakPolarHBondContact CG2-O 3.35Å; V131-F186 HydrophobicContact CG2-CB 4.32Å; V131-F186 HydrophobicContact CG2-CD1 4.15Å |
| 132 | I | 96.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 178.5 | -64.5 | -66.7 | 0 | 0 | 0 | 111.6 | F23 F26 L51 L53 I128 Q134 I135 T136 | F23-I132 HydrophobicContact CD2-CD1 3.9Å; F23-I132 HydrophobicContact CD2-CG1 4.3Å; F23-I132 HydrophobicContact CE2-CD1 3.64Å; F23-I132 HydrophobicContact CE2-CG1 4.11Å; F26-I132 HydrophobicContact CB-CD1 4.4Å; L51-I132 HydrophobicContact CD1-CB 4.26Å; L51-I132 HydrophobicContact CD1-CG2 4.01Å; L53-I132 HydrophobicContact CD1-CG2 4.18Å; L53-I132 HydrophobicContact CD2-CG2 3.5Å; L53-I132 VanDerWaalsContact CD2-CG2 3.5Å; I128-I132 HydrophobicContact CG2-CG1 4.11Å; I128-I132 WeakPolarHBondContact O-CG1 3.33Å; I128-I132 PolarHBondContact O-N 3.41Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.14Å; I132-I135 HydrophobicContact CD1-CD1 4.32Å; I132-I135 PolarHBondContact O-N 3.31Å; I132-T136 PolarHBondContact O-N 3.35Å |
| 133 | R | 96.2 | Very high | 95.5 | Very high | 166 Ų | 166 | 47 Ų | 47 | 63% | 0.626 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.1 | -36.8 | 174 | -74.5 | -179.7 | 68.1 | -163.5 | 1.1 | 112.4 | L51 R129 V131 A137 | L51-R133 HydrophobicContact CD1-CG 3.94Å; L51-R133 HydrophobicContact CD2-CG 4.1Å; R129-R133 WeakPolarHBondContact O-CB 3.41Å; R129-R133 WeakPolarHBondContact O-CG 3.42Å; R129-R133 PolarHBondContact O-N 3.06Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 3.29Å; R133-A137 WeakPolarHBondContact O-CB 3.44Å; R133-A137 PolarHBondContact O-N 3.38Å |
| 134 | Q | 95.8 | Very high | 95.2 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.9 | -32.1 | 177.5 | -79.1 | -170.7 | -14.4 | 0 | 0 | 113 | S130 V131 I132 T136 A137 T138 L183 | S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 2.86Å; S130-Q134 VanDerWaalsContact O-N 3.14Å; V131-Q134 CarbonylContact O-C 3.57Å; V131-Q134 WeakPolarHBondContact O-CA 3.5Å; V131-Q134 WeakPolarHBondContact O-CB 3.4Å; V131-Q134 PolarHBondContact O-N 2.98Å; I132-Q134 VanDerWaalsContact C-N 3.28Å; I132-Q134 PolarHBondContact O-N 3.14Å; Q134-T136 VanDerWaalsContact C-N 3.34Å; Q134-A137 PolarHBondContact O-N 2.83Å; Q134-T138 VanDerWaalsContact O-CB 3.27Å; Q134-T138 WeakPolarHBondContact O-CB 3.3Å; Q134-T138 PolarHBondContact O-N 2.85Å; Q134-T138 PolarHBondContact O-OG1 3.32Å; Q134-L183 HydrophobicContact CB-CD2 3.88Å; Q134-L183 HydrophobicContact CB-CG 4.16Å |
| 135 | I | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.4 | -52.8 | 171.6 | -68.9 | 172.5 | 0 | 0 | 0 | 109.1 | I31 W100 F102 V131 I132 A137 T138 V139 L183 | I31-I135 HydrophobicContact CG1-CG2 3.83Å; W100-I135 HydrophobicContact CH2-CG2 4.15Å; W100-I135 HydrophobicContact CZ3-CB 4.29Å; W100-I135 HydrophobicContact CZ3-CG1 4.24Å; W100-I135 HydrophobicContact CZ3-CG2 3.89Å; F102-I135 HydrophobicContact CE1-CD1 4.29Å; F102-I135 HydrophobicContact CZ-CD1 4.29Å; V131-I135 PolarHBondContact O-N 3.26Å; I132-I135 HydrophobicContact CD1-CD1 4.32Å; I132-I135 PolarHBondContact O-N 3.31Å; I135-A137 PolarHBondContact O-N 2.92Å; I135-T138 PolarHBondContact O-N 3.21Å; I135-V139 WeakPolarHBondContact O-CG2 3.34Å; I135-V139 PolarHBondContact O-N 3.19Å; I135-L183 HydrophobicContact CB-CD2 4.48Å; I135-L183 HydrophobicContact CG1-CD2 3.78Å |
| 136 | T | 94.3 | Very high | 94.5 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 33% | 0.325 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | I132 Q134 T138 V139 | I132-T136 PolarHBondContact O-N 3.35Å; Q134-T136 VanDerWaalsContact C-N 3.34Å; T136-T138 VanDerWaalsContact C-N 3.34Å; T136-T138 PolarHBondContact O-N 3.4Å; T136-V139 PolarHBondContact O-N 3.07Å |
| 137 | A | 95.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 60 Ų | 60 | 37% | 0.372 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.4 | -31.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | R133 Q134 I135 V139 T140 F141 | R133-A137 WeakPolarHBondContact O-CB 3.44Å; R133-A137 PolarHBondContact O-N 3.38Å; Q134-A137 PolarHBondContact O-N 2.83Å; I135-A137 PolarHBondContact O-N 2.92Å; A137-V139 VanDerWaalsContact C-N 3.27Å; A137-V139 PolarHBondContact O-N 3.36Å; A137-T140 PolarHBondContact O-N 3.06Å; A137-T140 PolarHBondContact O-OG1 3.03Å; A137-F141 WeakPolarHBondContact O-CD2 3.29Å; A137-F141 WeakPolarHBondContact O-CE2 3.42Å |
| 138 | T | 95.4 | Very high | 94.1 | Very high | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | W100 Q134 I135 T136 T140 F141 L142 V181 L183 V197 | W100-T138 HydrophobicContact CH2-CG2 4.25Å; Q134-T138 VanDerWaalsContact O-CB 3.27Å; Q134-T138 WeakPolarHBondContact O-CB 3.3Å; Q134-T138 PolarHBondContact O-N 2.85Å; Q134-T138 PolarHBondContact O-OG1 3.32Å; I135-T138 PolarHBondContact O-N 3.21Å; T136-T138 VanDerWaalsContact C-N 3.34Å; T136-T138 PolarHBondContact O-N 3.4Å; T138-T140 PolarHBondContact O-N 3.03Å; T138-T140 VanDerWaalsContact O-N 3.12Å; T138-F141 PolarHBondContact O-N 3.09Å; T138-L142 HydrophobicContact CG2-CD2 4.22Å; T138-L142 HydrophobicContact CG2-CG 4.33Å; T138-L142 WeakPolarHBondContact O-CG 3.21Å; T138-L142 PolarHBondContact O-N 2.94Å; T138-V181 HydrophobicContact CG2-CB 4.04Å; T138-V181 HydrophobicContact CG2-CG1 3.89Å; T138-V181 HydrophobicContact CG2-CG2 4.35Å; T138-L183 HydrophobicContact CG2-CD1 4.35Å; T138-V197 HydrophobicContact CG2-CG1 3.56Å |
| 139 | V | 93.6 | Very high | 94 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.3 | -30.6 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 112.6 | Q34 W100 I135 T136 A137 F141 L142 | Q34-V139 HydrophobicContact CB-CG1 4.27Å; Q34-V139 HydrophobicContact CB-CG2 3.84Å; Q34-V139 HydrophobicContact CG-CG2 4.38Å; W100-V139 HydrophobicContact CH2-CG2 4.04Å; W100-V139 HydrophobicContact CZ2-CG2 4Å; I135-V139 WeakPolarHBondContact O-CG2 3.34Å; I135-V139 PolarHBondContact O-N 3.19Å; T136-V139 PolarHBondContact O-N 3.07Å; A137-V139 VanDerWaalsContact C-N 3.27Å; A137-V139 PolarHBondContact O-N 3.36Å; V139-F141 PolarHBondContact O-N 2.67Å; V139-L142 PolarHBondContact O-N 3.44Å |
| 140 | T | 91.3 | Very high | 94 | Very high | 109 Ų | 109 | 60.9 Ų | 60.9 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -13.9 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 114 | A137 T138 | A137-T140 PolarHBondContact O-N 3.06Å; A137-T140 PolarHBondContact O-OG1 3.03Å; T138-T140 PolarHBondContact O-N 3.03Å; T138-T140 VanDerWaalsContact O-N 3.12Å |
| 141 | F | 90 | Very high | 94.1 | Very high | 160 Ų | 160 | 61 Ų | 61 | 70% | 0.702 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -10.7 | 176.4 | -58.6 | -78.4 | 0 | 0 | 0 | 112.8 | A137 T138 V139 | A137-F141 WeakPolarHBondContact O-CD2 3.29Å; A137-F141 WeakPolarHBondContact O-CE2 3.42Å; T138-F141 PolarHBondContact O-N 3.09Å; V139-F141 PolarHBondContact O-N 2.67Å |
| 142 | L | 94 | Very high | 94.1 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -80.3 | 153.3 | 176.7 | -58.6 | -175.3 | 0 | 0 | 0 | 110.1 | W100 T138 V139 V181 V197 Y199 | W100-L142 HydrophobicContact CH2-CD1 4.41Å; W100-L142 HydrophobicContact CZ2-CD1 3.77Å; T138-L142 HydrophobicContact CG2-CD2 4.22Å; T138-L142 HydrophobicContact CG2-CG 4.33Å; T138-L142 WeakPolarHBondContact O-CG 3.21Å; T138-L142 PolarHBondContact O-N 2.94Å; V139-L142 PolarHBondContact O-N 3.44Å; L142-V181 HydrophobicContact CD2-CG2 4.48Å; L142-V197 HydrophobicContact CD1-CG1 4.47Å; L142-V197 HydrophobicContact CD1-CG2 4.35Å; L142-V197 HydrophobicContact CD2-CG1 4.2Å; L142-Y199 HydrophobicContact CD2-CD1 3.47Å; L142-Y199 VanDerWaalsContact CD2-CD1 3.47Å; L142-Y199 HydrophobicContact CD2-CD2 4.31Å; L142-Y199 HydrophobicContact CD2-CE1 3.95Å; L142-Y199 HydrophobicContact CD2-CG 3.66Å |
| 143 | P | 93 | Very high | 94.1 | Very high | 37 Ų | 37 | 64.7 Ų | 64.7 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 145.5 | 168.4 | -25.2 | 34.1 | 0 | 0 | 0 | 112.1 | R35 L145 Y199 P202 | R35-P143 PolarHBondContact NH2-O 2.99Å; P143-L145 PolarHBondContact O-N 3.35Å; P143-Y199 VanDerWaalsContact CD-CD2 3.45Å; P143-Y199 HydrophobicContact CG-CD2 3.91Å; P143-Y199 HydrophobicContact CG-CE2 4.13Å; P143-P202 HydrophobicContact CB-CG 3.68Å; P143-P202 HydrophobicContact CG-CG 3.78Å |
| 144 | L | 90.4 | Very high | 94.2 | Very high | 147 Ų | 147 | 57.2 Ų | 57.2 | 77% | 0.77 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 129.4 | 172.9 | -68.2 | 173.8 | 0 | 0 | 0 | 109.1 | E146 | L144-E146 HydrophobicContact CB-CG 4.48Å; L144-E146 PolarHBondContact O-N 2.98Å |
| 145 | L | 90.6 | Very high | 94.3 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | trans | -88.3 | 101.8 | 171 | -65.9 | 173.8 | 0 | 0 | 0 | 108 | R35 I88 L97 P143 V147 | R35-L145 HydrophobicContact CB-CD1 4.07Å; R35-L145 HydrophobicContact CG-CD1 4.44Å; R35-L145 VanDerWaalsContact NE-CD1 3.3Å; R35-L145 VanDerWaalsContact NH2-CG 3.28Å; I88-L145 HydrophobicContact CG2-CD1 4.25Å; L97-L145 HydrophobicContact CB-CD2 4.31Å; L97-L145 HydrophobicContact CD1-CD2 3.64Å; P143-L145 PolarHBondContact O-N 3.35Å; L145-V147 VanDerWaalsContact C-N 3.32Å | ||
| 146 | E | 88.8 | Confident | 94.4 | Very high | 178 Ų | 178 | 58.7 Ų | 58.7 | 83% | 0.832 | 32% | 0.322 | S | S | * | . | trans | -91.3 | -0.3 | 176 | -60.8 | -174.5 | 171.6 | 0 | 0 | 112.4 | L144 | L144-E146 HydrophobicContact CB-CG 4.48Å; L144-E146 PolarHBondContact O-N 2.98Å | ||
| 147 | V | 91.6 | Very high | 94.5 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -108.1 | 149.2 | 179.8 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | L97 L145 C149 | L97-V147 HydrophobicContact CD1-CG2 3.87Å; L145-V147 VanDerWaalsContact C-N 3.32Å; V147-C149 PolarHBondContact O-N 3.06Å; V147-C149 PolarHBondContact O-SG 3.32Å; V147-C149 VanDerWaalsContact O-SG 3.37Å |
| 148 | S | 94 | Very high | 94.5 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 63% | 0.629 | 31% | 0.31 | S | S | * | . | trans | -65.8 | 128.7 | 169.8 | -62.9 | 0 | 0 | 0 | 0 | 110 | I91 | I91-S148 WeakPolarHBondContact CB-O 3.42Å; I91-S148 VanDerWaalsContact CG2-O 3.31Å; I91-S148 WeakPolarHBondContact CG2-O 3.2Å; I91-S148 PolarHBondContact N-O 3.21Å | ||
| 149 | C | 97 | Very high | 94.4 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149.3 | -177.4 | -62.3 | 0 | 0 | 0 | 0 | 111 | I37 I88 S89 V147 | I37-C149 HydrophobicContact CD1-CB 3.59Å; I88-C149 HydrophobicContact CG2-CB 3.67Å; S89-C149 CarbonylContact O-C 3.57Å; S89-C149 WeakPolarHBondContact O-CA 3.22Å; S89-C149 WeakPolarHBondContact O-CB 3.45Å; V147-C149 PolarHBondContact O-N 3.06Å; V147-C149 PolarHBondContact O-SG 3.32Å; V147-C149 VanDerWaalsContact O-SG 3.37Å |
| 150 | S | 96.9 | Very high | 94.4 | Very high | 44 Ų | 44 | 73.2 Ų | 73.2 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 171.1 | 166 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | S89 | S89-S150 PolarHBondContact N-O 3.08Å; S89-S150 VanDerWaalsContact N-O 3.09Å; S89-S150 PolarHBondContact O-N 2.97Å |
| 151 | F | 98 | Very high | 94.5 | Very high | 33 Ų | 33 | 69.7 Ų | 69.7 | 15% | 0.145 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144 | 173 | 83.2 | -73.7 | 0 | 0 | 0 | 112 | L32 I37 Y38 L61 Y64 V86 V87 I88 L153 | L32-F151 HydrophobicContact CD1-CE1 4.48Å; L32-F151 HydrophobicContact CD1-CZ 4.36Å; L32-F151 HydrophobicContact CD2-CB 3.83Å; L32-F151 HydrophobicContact CD2-CD1 3.73Å; L32-F151 HydrophobicContact CD2-CD2 3.83Å; L32-F151 HydrophobicContact CD2-CE1 4.25Å; L32-F151 HydrophobicContact CD2-CE2 4.33Å; L32-F151 HydrophobicContact CD2-CG 3.49Å; L32-F151 VanDerWaalsContact CD2-CG 3.49Å; I37-F151 HydrophobicContact CG2-CB 4.2Å; I37-F151 HydrophobicContact CG2-CD1 3.72Å; I37-F151 HydrophobicContact CG2-CG 4.35Å; Y38-F151 HydrophobicContact CE2-CD1 4.28Å; Y38-F151 AromaticContact CE2-CE1 3.81Å; Y38-F151 HydrophobicContact CE2-CE1 3.81Å; L61-F151 HydrophobicContact CD1-CE1 4.25Å; L61-F151 HydrophobicContact CD1-CZ 3.8Å; Y64-F151 HydrophobicContact CD1-CZ 4.37Å; Y64-F151 HydrophobicContact CE1-CE2 4.02Å; Y64-F151 HydrophobicContact CE1-CZ 4.07Å; V86-F151 HydrophobicContact CG1-CB 4.49Å; V86-F151 HydrophobicContact CG1-CD2 4.48Å; V87-F151 CarbonylContact O-C 3.57Å; V87-F151 WeakPolarHBondContact O-CA 3.19Å; I88-F151 HydrophobicContact CD1-CB 4.04Å; F151-L153 HydrophobicContact CE2-CB 4.44Å |
| 152 | D | 97.6 | Very high | 94.6 | Very high | 63 Ų | 63 | 68.1 Ų | 68.1 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.6 | 162.4 | -65.4 | -59.1 | 0 | 0 | 0 | 109.4 | V87 L154 Q173 | V87-D152 HydrophobicContact CB-CB 4.1Å; V87-D152 HydrophobicContact CG2-CB 4.4Å; V87-D152 PolarHBondContact N-O 3.13Å; V87-D152 PolarHBondContact O-N 3.43Å; D152-L154 HydrophobicContact CB-CD2 4.36Å; D152-Q173 PolarHBondContact OD2-NE2 2.6Å |
| 153 | L | 97.7 | Very high | 94.6 | Very high | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.1 | 175.9 | -174.5 | 66.2 | 0 | 0 | 0 | 110.4 | I28 Y64 V68 L84 V86 F151 | I28-L153 HydrophobicContact CD1-CD1 3.89Å; I28-L153 HydrophobicContact CD1-CD2 3.98Å; I28-L153 HydrophobicContact CG1-CD1 4.4Å; Y64-L153 HydrophobicContact CE1-CD2 4.27Å; V68-L153 HydrophobicContact CB-CD2 4.22Å; V68-L153 HydrophobicContact CG1-CD2 3.42Å; V68-L153 VanDerWaalsContact CG1-CD2 3.42Å; V68-L153 HydrophobicContact CG2-CD2 3.94Å; L84-L153 HydrophobicContact CD1-CD1 4.26Å; L84-L153 HydrophobicContact CD2-CD1 3.73Å; L84-L153 HydrophobicContact CG-CD1 3.98Å; V86-L153 HydrophobicContact CG2-CD1 3.86Å; F151-L153 HydrophobicContact CE2-CB 4.44Å |
| 154 | L | 97.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.8 | -177.6 | -46.4 | -179.9 | 0 | 0 | 0 | 110.1 | L84 V85 V87 D152 Y156 S170 Q173 | L84-L154 CarbonylContact C-O 3.53Å; L84-L154 WeakPolarHBondContact CA-O 3.45Å; V85-L154 HydrophobicContact CB-CB 4.28Å; V85-L154 PolarHBondContact N-O 3.11Å; V85-L154 PolarHBondContact O-N 2.83Å; V87-L154 HydrophobicContact CG2-CD1 3.71Å; V87-L154 HydrophobicContact CG2-CG 3.99Å; D152-L154 HydrophobicContact CB-CD2 4.36Å; L154-Y156 HydrophobicContact CB-CD2 4.5Å; L154-Y156 HydrophobicContact CB-CE2 3.98Å; L154-Y156 HydrophobicContact CD1-CE2 4.39Å; L154-S170 WeakPolarHBondContact CD2-OG 3.39Å; L154-Q173 HydrophobicContact CD1-CB 4.04Å; L154-Q173 HydrophobicContact CD1-CG 4.03Å |
| 155 | I | 97.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 14% | 0.138 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115 | 172.5 | -61 | 175.7 | 0 | 0 | 0 | 108.3 | V68 L72 W75 V81 L84 T157 W167 | V68-I155 HydrophobicContact CG1-CD1 4.05Å; L72-I155 HydrophobicContact CD1-CD1 4.04Å; L72-I155 HydrophobicContact CD1-CG2 4.37Å; W75-I155 HydrophobicContact CE3-CD1 4.44Å; W75-I155 HydrophobicContact CE3-CG2 3.84Å; W75-I155 HydrophobicContact CZ3-CB 4.09Å; W75-I155 HydrophobicContact CZ3-CD1 3.97Å; W75-I155 HydrophobicContact CZ3-CG2 3.75Å; V81-I155 HydrophobicContact CG1-CG2 3.78Å; V81-I155 HydrophobicContact CG2-CG2 4.48Å; L84-I155 HydrophobicContact CD1-CD1 4.43Å; L84-I155 HydrophobicContact CD1-CG1 4.19Å; L84-I155 HydrophobicContact CG-CG1 4.33Å; I155-T157 HydrophobicContact CG2-CG2 3.98Å; I155-W167 HydrophobicContact CB-CZ3 4.5Å; I155-W167 HydrophobicContact CD1-CH2 3.57Å; I155-W167 HydrophobicContact CD1-CZ3 3.76Å; I155-W167 HydrophobicContact CG1-CZ3 4.34Å |
| 156 | Y | 97.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 120.2 | 176.8 | -68.6 | -106.4 | 0 | 0 | 0 | 108.3 | Q82 K83 V85 R99 L154 P172 | Q82-Y156 PolarHBondContact N-O 3.05Å; K83-Y156 HydrophobicContact CD-CD2 4.12Å; K83-Y156 HydrophobicContact CD-CG 4.23Å; K83-Y156 HydrophobicContact CG-CD1 4.5Å; K83-Y156 HydrophobicContact CG-CD2 3.56Å; K83-Y156 HydrophobicContact CG-CE2 4.38Å; K83-Y156 HydrophobicContact CG-CG 3.62Å; K83-Y156 PolarHBondContact N-O 2.85Å; K83-Y156 PolarHBondContact O-N 2.86Å; V85-Y156 HydrophobicContact CB-CE2 4.36Å; V85-Y156 HydrophobicContact CG2-CD2 4.14Å; V85-Y156 HydrophobicContact CG2-CE2 3.67Å; R99-Y156 PolarHBondContact NH2-OH 3.17Å; L154-Y156 HydrophobicContact CB-CD2 4.5Å; L154-Y156 HydrophobicContact CB-CE2 3.98Å; L154-Y156 HydrophobicContact CD1-CE2 4.39Å; Y156-P172 PolarHBondContact OH-O 2.94Å |
| 157 | T | 96.7 | Very high | 94.9 | Very high | 37 Ų | 37 | 74 Ų | 74 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 174.1 | 178.8 | 61.1 | 0 | 0 | 0 | 0 | 111.4 | W75 S80 I155 L161 | W75-T157 HydrophobicContact CD2-CG2 4.12Å; W75-T157 HydrophobicContact CE3-CG2 3.92Å; W75-T157 HydrophobicContact CZ3-CG2 4.15Å; S80-T157 CarbonylContact O-C 3.49Å; S80-T157 WeakPolarHBondContact O-CA 3.45Å; S80-T157 VanDerWaalsContact O-CB 3.26Å; S80-T157 WeakPolarHBondContact O-CB 3.31Å; I155-T157 HydrophobicContact CG2-CG2 3.98Å; T157-L161 HydrophobicContact CG2-CD2 4.36Å |
| 158 | D | 95.1 | Very high | 95 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.203 | 40% | 0.399 | C | S | . | . | trans | -59.4 | 139 | 168.6 | -62.8 | -32.3 | 0 | 0 | 0 | 110.6 | S80 Q82 D160 L161 | S80-D158 PolarHBondContact O-N 2.79Å; S80-D158 VanDerWaalsContact O-N 3.08Å; Q82-D158 PolarHBondContact NE2-OD1 3.24Å; D158-D160 VanDerWaalsContact CB-OD1 3.32Å; D158-D160 WeakPolarHBondContact CB-OD1 3.27Å; D158-D160 PolarHBondContact O-N 2.84Å; D158-D160 VanDerWaalsContact O-N 3.08Å; D158-L161 VanDerWaalsContact O-CB 3.23Å; D158-L161 WeakPolarHBondContact O-CB 3.41Å; D158-L161 PolarHBondContact O-N 2.98Å | ||
| 159 | K | 93.3 | Very high | 94.9 | Very high | 214 Ų | 214 | 82.5 Ų | 82.5 | 93% | 0.93 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.1 | -171.2 | -66.9 | -174.9 | 177.7 | -175.9 | 0 | 114.3 | ||
| 160 | D | 93.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 85.5 Ų | 85.5 | 75% | 0.749 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 1.8 | -180 | 60.5 | -40.9 | 0 | 0 | 0 | 113.1 | D158 | D158-D160 VanDerWaalsContact CB-OD1 3.32Å; D158-D160 WeakPolarHBondContact CB-OD1 3.27Å; D158-D160 PolarHBondContact O-N 2.84Å; D158-D160 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 93.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 85.6 Ų | 85.6 | 18% | 0.183 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -71 | 130.4 | 178.5 | -171 | 128.8 | 0 | 0 | 0 | 111.5 | W75 S80 T157 D158 V163 | W75-L161 HydrophobicContact CG-CD1 4.32Å; W75-L161 HydrophobicContact CZ2-CD2 3.83Å; S80-L161 VanDerWaalsContact CB-CD1 3.44Å; T157-L161 HydrophobicContact CG2-CD2 4.36Å; D158-L161 VanDerWaalsContact O-CB 3.23Å; D158-L161 WeakPolarHBondContact O-CB 3.41Å; D158-L161 PolarHBondContact O-N 2.98Å; L161-V163 PolarHBondContact O-N 2.85Å |
| 162 | V | 93.3 | Very high | 94.2 | Very high | 128 Ų | 128 | 86.4 Ų | 86.4 | 78% | 0.776 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 118.5 | 175.2 | -179 | 0 | 0 | 0 | 0 | 109.8 | P164 | V162-P164 WeakPolarHBondContact O-CD 3.13Š|
| 163 | V | 93.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 86.8 Ų | 86.8 | 38% | 0.382 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 120.1 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | L161 W167 E169 | L161-V163 PolarHBondContact O-N 2.85Å; V163-W167 HydrophobicContact CG1-CB 3.7Å; V163-W167 VanDerWaalsContact CG1-O 3.24Å; V163-W167 WeakPolarHBondContact CG1-O 3.35Å; V163-E169 HydrophobicContact CG2-CG 4.24Å |
| 164 | P | 93.7 | Very high | 93.5 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 23% | 0.227 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 159.4 | 177.9 | -14.4 | 26.9 | 0 | 0 | 0 | 112.5 | W75 V162 K166 W167 | W75-P164 HydrophobicContact CZ2-CG 3.83Å; V162-P164 WeakPolarHBondContact O-CD 3.13Å; P164-K166 PolarHBondContact O-N 3Å; P164-W167 HydrophobicContact CG-CG 4.37Å; P164-W167 PolarHBondContact O-N 3.39Å |
| 165 | E | 89.8 | Confident | 93.2 | Very high | 196 Ų | 196 | 94.2 Ų | 94.2 | 92% | 0.916 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.2 | -169.7 | -171.1 | -177.8 | -179 | 0 | 0 | 116.2 | ||
| 166 | K | 90.2 | Very high | 92.9 | Very high | 179 Ų | 179 | 97.5 Ų | 97.5 | 78% | 0.778 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 7.6 | -178.8 | -65.8 | -176.9 | 179.7 | 173.3 | 0 | 114.2 | P164 | P164-K166 PolarHBondContact O-N 3Š|
| 167 | W | 94.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 99.4 Ų | 99.4 | 26% | 0.258 | 51% | 0.513 | S | S | . | . | trans | -112.5 | 152.8 | -179.7 | -66.9 | 75.6 | 0 | 0 | 0 | 109.1 | V68 Q71 W75 I155 V163 P164 | V68-W167 HydrophobicContact CB-CH2 4.39Å; V68-W167 HydrophobicContact CG1-CH2 4.29Å; V68-W167 HydrophobicContact CG2-CH2 4.12Å; V68-W167 HydrophobicContact CG2-CZ2 4.45Å; Q71-W167 HydrophobicContact CB-CZ2 3.56Å; Q71-W167 HydrophobicContact CG-CZ2 3.67Å; W75-W167 AromaticContact CH2-CD2 3.71Å; W75-W167 HydrophobicContact CH2-CD2 3.71Å; W75-W167 AromaticContact CH2-CE2 3.98Å; W75-W167 AromaticContact CH2-CE3 3.68Å; W75-W167 HydrophobicContact CH2-CE3 3.68Å; W75-W167 HydrophobicContact CH2-CG 4.3Å; W75-W167 HydrophobicContact CH2-CH2 4.23Å; W75-W167 HydrophobicContact CH2-CZ2 4.24Å; W75-W167 AromaticContact CH2-CZ3 3.95Å; W75-W167 HydrophobicContact CH2-CZ3 3.95Å; W75-W167 HydrophobicContact CZ3-CD2 4.46Å; W75-W167 HydrophobicContact CZ3-CE3 4.14Å; W75-W167 HydrophobicContact CZ3-CH2 4.03Å; W75-W167 HydrophobicContact CZ3-CZ2 4.33Å; W75-W167 AromaticContact CZ3-CZ3 3.92Å; W75-W167 HydrophobicContact CZ3-CZ3 3.92Å; I155-W167 HydrophobicContact CB-CZ3 4.5Å; I155-W167 HydrophobicContact CD1-CH2 3.57Å; I155-W167 HydrophobicContact CD1-CZ3 3.76Å; I155-W167 HydrophobicContact CG1-CZ3 4.34Å; V163-W167 HydrophobicContact CG1-CB 3.7Å; V163-W167 VanDerWaalsContact CG1-O 3.24Å; V163-W167 WeakPolarHBondContact CG1-O 3.35Å; P164-W167 HydrophobicContact CG-CG 4.37Å; P164-W167 PolarHBondContact O-N 3.39Å | ||
| 168 | E | 93.8 | Very high | 92.6 | Very high | 162 Ų | 162 | 99.6 Ų | 99.6 | 76% | 0.757 | 52% | 0.516 | S | S | * | . | trans | -135.2 | 154.3 | 178.1 | 61.1 | -177.9 | -154.6 | 0 | 0 | 110.1 | S170 | E168-S170 PolarHBondContact O-N 3.37Š| ||
| 169 | E | 93 | Very high | 92.6 | Very high | 175 Ų | 175 | 102.7 Ų | 102.7 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | trans | -73.4 | 124.3 | 167.2 | -64.9 | -171.1 | 162.6 | 0 | 0 | 108.7 | V163 | V163-E169 HydrophobicContact CG2-CG 4.24Š| ||
| 170 | S | 92.9 | Very high | 92.8 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | trans | -112.8 | 159.2 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | L154 E168 | L154-S170 WeakPolarHBondContact CD2-OG 3.39Å; E168-S170 PolarHBondContact O-N 3.37Å | ||
| 171 | G | 91.6 | Very high | 92.9 | Very high | 45 Ų | 45 | 92.9 Ų | 92.9 | 46% | 0.464 | 49% | 0.485 | S | S | . | . | trans | -63.6 | 158.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q173 | G171-Q173 PolarHBondContact O-N 2.85Š| ||
| 172 | P | 90.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 101.1 Ų | 101.1 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | trans | -71.7 | -11.9 | -174.1 | 27.7 | -35.1 | 0 | 0 | 0 | 114.7 | R99 Y156 F174 | R99-P172 VanDerWaalsContact CZ-O 3.23Å; R99-P172 PolarHBondContact NH1-O 2.97Å; R99-P172 PolarHBondContact NH2-O 3.45Å; R99-P172 VanDerWaalsContact NH2-O 3.1Å; Y156-P172 PolarHBondContact OH-O 2.94Å; P172-F174 HydrophobicContact CB-CD1 3.97Å; P172-F174 HydrophobicContact CB-CD2 4.12Å; P172-F174 HydrophobicContact CB-CE1 3.57Å; P172-F174 HydrophobicContact CB-CE2 3.75Å; P172-F174 HydrophobicContact CB-CG 4.22Å; P172-F174 HydrophobicContact CB-CZ 3.45Å; P172-F174 VanDerWaalsContact CB-CZ 3.45Å; P172-F174 HydrophobicContact CG-CD1 4.3Å; P172-F174 HydrophobicContact CG-CD2 3.52Å; P172-F174 HydrophobicContact CG-CE1 3.98Å; P172-F174 HydrophobicContact CG-CE2 3.14Å; P172-F174 HydrophobicContact CG-CG 4.09Å; P172-F174 HydrophobicContact CG-CZ 3.39Å; P172-F174 PolarHBondContact O-N 2.55Å | ||
| 173 | Q | 91.8 | Very high | 93.2 | Very high | 72 Ų | 72 | 96 Ų | 96 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | trans | 49.6 | 47.9 | -175.5 | -61.3 | -69.5 | 28.2 | 0 | 0 | 113.7 | V87 V96 R99 D152 L154 G171 I175 | V87-Q173 HydrophobicContact CB-CB 4.47Å; V87-Q173 HydrophobicContact CG1-CB 3.92Å; V87-Q173 HydrophobicContact CG1-CG 4.41Å; V87-Q173 HydrophobicContact CG2-CB 3.85Å; V87-Q173 HydrophobicContact CG2-CG 4.25Å; V96-Q173 HydrophobicContact CG2-CB 4.35Å; R99-Q173 WeakPolarHBondContact CD-O 3.35Å; R99-Q173 VanDerWaalsContact NH1-C 3.28Å; R99-Q173 PolarHBondContact NH1-O 3.09Å; D152-Q173 PolarHBondContact OD2-NE2 2.6Å; L154-Q173 HydrophobicContact CD1-CB 4.04Å; L154-Q173 HydrophobicContact CD1-CG 4.03Å; G171-Q173 PolarHBondContact O-N 2.85Å; Q173-I175 PolarHBondContact O-N 2.84Å | ||
| 174 | F | 89.1 | Confident | 93.3 | Very high | 154 Ų | 154 | 100.2 Ų | 100.2 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | trans | -57.2 | 139.2 | -174.9 | -65.2 | -55.6 | 0 | 0 | 0 | 112.5 | P172 | P172-F174 HydrophobicContact CB-CD1 3.97Å; P172-F174 HydrophobicContact CB-CD2 4.12Å; P172-F174 HydrophobicContact CB-CE1 3.57Å; P172-F174 HydrophobicContact CB-CE2 3.75Å; P172-F174 HydrophobicContact CB-CG 4.22Å; P172-F174 HydrophobicContact CB-CZ 3.45Å; P172-F174 VanDerWaalsContact CB-CZ 3.45Å; P172-F174 HydrophobicContact CG-CD1 4.3Å; P172-F174 HydrophobicContact CG-CD2 3.52Å; P172-F174 HydrophobicContact CG-CE1 3.98Å; P172-F174 HydrophobicContact CG-CE2 3.14Å; P172-F174 HydrophobicContact CG-CG 4.09Å; P172-F174 HydrophobicContact CG-CZ 3.39Å; P172-F174 PolarHBondContact O-N 2.55Å | ||
| 175 | I | 91.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 101 Ų | 101 | 14% | 0.144 | 50% | 0.498 | C | S | . | . | trans | -94.1 | 143.1 | 168.4 | -164 | 170.1 | 0 | 0 | 0 | 108.8 | V96 L97 R99 Q173 A198 K200 | V96-I175 HydrophobicContact CG1-CB 3.9Å; V96-I175 HydrophobicContact CG1-CD1 4.32Å; V96-I175 HydrophobicContact CG1-CG1 4.08Å; L97-I175 WeakPolarHBondContact O-CD1 3.49Å; R99-I175 HydrophobicContact CG-CB 4.09Å; R99-I175 HydrophobicContact CG-CG2 4.25Å; Q173-I175 PolarHBondContact O-N 2.84Å; I175-A198 WeakPolarHBondContact CD1-O 3.45Å; I175-A198 HydrophobicContact CG2-CB 3.93Å; I175-K200 HydrophobicContact CD1-CB 4.13Å; I175-K200 HydrophobicContact CG1-CB 4.38Å | ||
| 176 | T | 91.4 | Very high | 93.9 | Very high | 97 Ų | 97 | 91.8 Ų | 91.8 | 60% | 0.595 | 46% | 0.455 | S | S | * | . | trans | -122.6 | 155.5 | 175.7 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | S178 | T176-S178 PolarHBondContact O-N 3.42Š| ||
| 177 | N | 93.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 85.2 Ų | 85.2 | 52% | 0.519 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 54 | 48.9 | -177.5 | -166.5 | 46.8 | 0 | 0 | 0 | 113 | I201 | N177-I201 PolarHBondContact ND2-O 3.46Å; N177-I201 PolarHBondContact O-N 2.93Å |
| 178 | S | 94.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 82 Ų | 82 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 147.1 | -175.4 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | T176 Y199 | T176-S178 PolarHBondContact O-N 3.42Å; S178-Y199 CarbonylContact C-O 3.54Å; S178-Y199 WeakPolarHBondContact CA-O 3.49Å; S178-Y199 WeakPolarHBondContact CB-O 3.49Å |
| 179 | E | 95.6 | Very high | 94.5 | Very high | 102 Ų | 102 | 76.8 Ų | 76.8 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 156.9 | 161.4 | -74.1 | -65.1 | 152.3 | 0 | 0 | 110 | A198 Y199 I201 | E179-A198 CarbonylContact O-C 3.6Å; E179-A198 VanDerWaalsContact O-CA 3.29Å; E179-A198 WeakPolarHBondContact O-CA 3.36Å; E179-Y199 HydrophobicContact CB-CD1 4.37Å; E179-Y199 HydrophobicContact CB-CE1 3.63Å; E179-Y199 HydrophobicContact CB-CE2 4.19Å; E179-Y199 PolarHBondContact N-O 3.49Å; E179-Y199 VanDerWaalsContact O-CD1 3.31Å; E179-Y199 WeakPolarHBondContact O-CD1 3.19Å; E179-Y199 PolarHBondContact O-N 2.81Å; E179-I201 HydrophobicContact CG-CD1 3.72Å; E179-I201 HydrophobicContact CG-CG1 3.94Å |
| 180 | E | 96.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.8 | -178.3 | -67.1 | -176.8 | -179.5 | 0 | 0 | 112 | M196 V197 A198 | E180-M196 HydrophobicContact CG-CE 4.24Å; E180-V197 WeakPolarHBondContact CA-O 3.36Å; E180-A198 HydrophobicContact CG-CB 4.28Å |
| 181 | V | 96.4 | Very high | 95 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 26% | 0.255 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 117 | 165.9 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | T138 L142 L183 M196 V197 Y199 | T138-V181 HydrophobicContact CG2-CB 4.04Å; T138-V181 HydrophobicContact CG2-CG1 3.89Å; T138-V181 HydrophobicContact CG2-CG2 4.35Å; L142-V181 HydrophobicContact CD2-CG2 4.48Å; V181-L183 HydrophobicContact CG1-CD1 4.37Å; V181-L183 WeakPolarHBondContact O-CD1 3.31Å; V181-M196 CarbonylContact O-C 3.56Å; V181-M196 WeakPolarHBondContact O-CA 3.5Å; V181-M196 WeakPolarHBondContact O-CB 3.31Å; V181-V197 HydrophobicContact CB-CG1 3.89Å; V181-V197 HydrophobicContact CG2-CG1 4.38Å; V181-V197 PolarHBondContact N-O 3.42Å; V181-V197 PolarHBondContact O-N 3.44Å; V181-Y199 HydrophobicContact CG2-CD1 4.28Å; V181-Y199 HydrophobicContact CG2-CE1 3.76Å |
| 182 | R | 96.6 | Very high | 95.3 | Very high | 207 Ų | 207 | 66.2 Ų | 66.2 | 78% | 0.781 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.8 | 173.4 | -66.9 | -174.3 | 178.9 | -146.3 | -2.6 | 110.5 | M196 | R182-M196 HydrophobicContact CG-CB 4.37Å |
| 183 | L | 96.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 170.7 | 174.6 | -73 | 74.2 | 0 | 0 | 0 | 109.4 | W100 Q134 I135 T138 V181 S195 V197 | W100-L183 HydrophobicContact CZ3-CD2 4.44Å; Q134-L183 HydrophobicContact CB-CD2 3.88Å; Q134-L183 HydrophobicContact CB-CG 4.16Å; I135-L183 HydrophobicContact CB-CD2 4.48Å; I135-L183 HydrophobicContact CG1-CD2 3.78Å; T138-L183 HydrophobicContact CG2-CD1 4.35Å; V181-L183 HydrophobicContact CG1-CD1 4.37Å; V181-L183 WeakPolarHBondContact O-CD1 3.31Å; L183-S195 WeakPolarHBondContact CA-O 3.37Å; L183-S195 WeakPolarHBondContact CB-O 3.49Å; L183-S195 PolarHBondContact N-O 3.36Å; L183-V197 HydrophobicContact CD1-CG1 4.47Å |
| 184 | R | 96.2 | Very high | 96 | Very high | 152 Ų | 152 | 62.2 Ų | 62.2 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 150 | 171.7 | -74.4 | 173.3 | -177 | -142.2 | -1.6 | 110.3 | S130 V131 | S130-R184 WeakPolarHBondContact OG-CD 3.36Å; V131-R184 HydrophobicContact CG2-CB 4.27Å; V131-R184 WeakPolarHBondContact CG2-O 3.35Å |
| 185 | S | 97.6 | Very high | 96.4 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 162.5 | 167.5 | 54.6 | 0 | 0 | 0 | 0 | 111 | V193 N194 | S185-V193 WeakPolarHBondContact CA-O 3.34Å; S185-V193 WeakPolarHBondContact CB-O 3.5Å; S185-N194 WeakPolarHBondContact CB-OD1 3.27Å |
| 186 | F | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.9 | 164 | 74.7 | -87.2 | 0 | 0 | 0 | 109.5 | V20 F23 E127 I128 V131 K192 V193 | V20-F186 HydrophobicContact CG2-CE2 4.07Å; V20-F186 HydrophobicContact CG2-CZ 4.26Å; F23-F186 HydrophobicContact CB-CE1 4.3Å; F23-F186 HydrophobicContact CB-CZ 3.86Å; F23-F186 AromaticContact CD1-CE1 3.45Å; F23-F186 HydrophobicContact CD1-CE1 3.45Å; F23-F186 VanDerWaalsContact CD1-CE1 3.45Å; F23-F186 AromaticContact CD1-CZ 3.64Å; F23-F186 HydrophobicContact CD1-CZ 3.64Å; F23-F186 AromaticContact CD2-CE1 3.8Å; F23-F186 HydrophobicContact CD2-CE1 3.8Å; F23-F186 HydrophobicContact CD2-CZ 4.22Å; F23-F186 AromaticContact CE1-CE1 3.61Å; F23-F186 HydrophobicContact CE1-CE1 3.61Å; F23-F186 HydrophobicContact CE1-CZ 4.26Å; F23-F186 HydrophobicContact CE2-CD1 4.45Å; F23-F186 AromaticContact CE2-CE1 3.92Å; F23-F186 HydrophobicContact CE2-CE1 3.92Å; F23-F186 AromaticContact CG-CE1 3.54Å; F23-F186 HydrophobicContact CG-CE1 3.54Å; F23-F186 AromaticContact CG-CZ 3.6Å; F23-F186 HydrophobicContact CG-CZ 3.6Å; F23-F186 HydrophobicContact CZ-CD1 4.5Å; F23-F186 AromaticContact CZ-CE1 3.82Å; F23-F186 HydrophobicContact CZ-CE1 3.82Å; E127-F186 HydrophobicContact CB-CB 3.63Å; I128-F186 HydrophobicContact CD1-CD2 4.13Å; I128-F186 HydrophobicContact CD1-CE2 3.98Å; I128-F186 HydrophobicContact CD1-CZ 4.47Å; I128-F186 HydrophobicContact CG1-CB 4.38Å; I128-F186 HydrophobicContact CG1-CD1 4.16Å; I128-F186 HydrophobicContact CG1-CD2 3.61Å; I128-F186 HydrophobicContact CG1-CE1 4.33Å; I128-F186 HydrophobicContact CG1-CE2 3.81Å; I128-F186 HydrophobicContact CG1-CG 3.79Å; I128-F186 HydrophobicContact CG1-CZ 4.17Å; V131-F186 HydrophobicContact CG2-CB 4.32Å; V131-F186 HydrophobicContact CG2-CD1 4.15Å; F186-K192 WeakPolarHBondContact O-CA 3.49Å; F186-V193 HydrophobicContact CD1-CB 3.96Å; F186-V193 HydrophobicContact CE1-CB 3.48Å; F186-V193 VanDerWaalsContact CE1-CB 3.48Å; F186-V193 HydrophobicContact CE1-CG1 3.91Å; F186-V193 HydrophobicContact CE1-CG2 3.76Å; F186-V193 HydrophobicContact CE2-CG2 4.17Å; F186-V193 HydrophobicContact CZ-CB 3.83Å; F186-V193 HydrophobicContact CZ-CG1 4.48Å; F186-V193 HydrophobicContact CZ-CG2 3.53Å; F186-V193 PolarHBondContact N-O 3.13Å; F186-V193 PolarHBondContact O-N 3.36Å |
| 187 | T | 98.2 | Very high | 97 | Very high | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 146.6 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 112.6 | K119 E127 T189 H191 | K119-T187 WeakPolarHBondContact CE-O 3.47Å; K119-T187 PolarHBondContact NZ-O 2.92Å; E127-T187 PolarHBondContact OE2-N 2.65Å; T187-T189 VanDerWaalsContact C-N 3.34Å; T187-T189 PolarHBondContact OG1-N 2.91Å; T187-H191 CarbonylContact C-O 3.58Å; T187-H191 WeakPolarHBondContact CA-O 3.12Å; T187-H191 WeakPolarHBondContact CB-O 3.38Å; T187-H191 PolarHBondContact OG1-O 3.49Å |
| 188 | T | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -94.6 | 5.7 | 169.2 | 64 | 0 | 0 | 0 | 0 | 112.2 | S16 I19 V20 I124 I190 H191 | S16-T188 WeakPolarHBondContact CB-OG1 3.41Å; S16-T188 WeakPolarHBondContact OG-CB 3.47Å; S16-T188 PolarHBondContact OG-OG1 3.12Å; I19-T188 HydrophobicContact CB-CG2 4.38Å; I19-T188 HydrophobicContact CD1-CG2 4.45Å; I19-T188 HydrophobicContact CG2-CG2 4.11Å; V20-T188 HydrophobicContact CG2-CG2 4.19Å; I124-T188 HydrophobicContact CD1-CG2 4.38Å; I124-T188 HydrophobicContact CG2-CG2 4.18Å; T188-I190 PolarHBondContact O-N 3.34Å; T188-I190 PolarHBondContact OG1-N 3.31Å; T188-H191 PolarHBondContact N-O 3.31Å; T188-H191 PolarHBondContact OG1-N 2.77Å; T188-H191 PolarHBondContact OG1-O 2.94Å | ||
| 189 | T | 95.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 71.8 | -19.1 | -162 | 72.7 | 0 | 0 | 0 | 0 | 115.6 | R117 K119 T187 | R117-T189 WeakPolarHBondContact CB-OG1 3.46Å; R117-T189 WeakPolarHBondContact CG-OG1 3.39Å; K119-T189 HydrophobicContact CB-CG2 3.86Å; K119-T189 HydrophobicContact CD-CG2 3.69Å; K119-T189 HydrophobicContact CG-CG2 4.36Å; T187-T189 VanDerWaalsContact C-N 3.34Å; T187-T189 PolarHBondContact OG1-N 2.91Å |
| 190 | I | 97.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -101.3 | -45.9 | 176.1 | -60.7 | 176.8 | 0 | 0 | 0 | 110.1 | I11 T12 L13 C106 D107 A110 R117 T188 | I11-I190 HydrophobicContact CG2-CD1 4.11Å; T12-I190 VanDerWaalsContact C-CD1 3.44Å; L13-I190 HydrophobicContact CB-CD1 4.37Å; L13-I190 HydrophobicContact CD1-CG2 3.46Å; L13-I190 VanDerWaalsContact CD1-CG2 3.46Å; C106-I190 CarbonylContact C-O 3.58Å; C106-I190 WeakPolarHBondContact CA-O 3.43Å; D107-I190 PolarHBondContact N-O 3.45Å; A110-I190 HydrophobicContact CB-CB 4.23Å; A110-I190 HydrophobicContact CB-CD1 4Å; A110-I190 HydrophobicContact CB-CG1 3.84Å; A110-I190 HydrophobicContact CB-CG2 3.53Å; R117-I190 HydrophobicContact CG-CD1 4.14Å; R117-I190 HydrophobicContact CG-CG1 3.9Å; T188-I190 PolarHBondContact O-N 3.34Å; T188-I190 PolarHBondContact OG1-N 3.31Å |
| 191 | H | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143 | 173.2 | -69 | 84.3 | 0 | 0 | 0 | 109.5 | S16 V20 L76 E105 C106 T187 T188 | S16-H191 PolarHBondContact OG-ND1 3.4Å; V20-H191 HydrophobicContact CG2-CB 3.81Å; L76-H191 PolarHBondContact O-CE1 3.39Å; L76-H191 PolarHBondContact O-NE2 3.37Å; E105-H191 CarbonylContact O-C 3.52Å; E105-H191 VanDerWaalsContact O-CA 3.29Å; E105-H191 WeakPolarHBondContact O-CA 3.37Å; C106-H191 PolarHBondContact SG-NE2 2.91Å; T187-H191 CarbonylContact C-O 3.58Å; T187-H191 WeakPolarHBondContact CA-O 3.12Å; T187-H191 WeakPolarHBondContact CB-O 3.38Å; T187-H191 PolarHBondContact OG1-O 3.49Å; T188-H191 PolarHBondContact N-O 3.31Å; T188-H191 PolarHBondContact OG1-N 2.77Å; T188-H191 PolarHBondContact OG1-O 2.94Å |
| 192 | K | 98.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.3 | 168 | 174.1 | 179.5 | 165.1 | -131 | 0 | 108.2 | I104 E105 F186 N194 | I104-K192 WeakPolarHBondContact CA-O 3.38Å; E105-K192 HydrophobicContact CB-CB 4.26Å; E105-K192 PolarHBondContact N-O 3.43Å; E105-K192 PolarHBondContact O-N 3.22Å; E105-K192 IonicContact OE1-NZ 2.56Å; E105-K192 PolarHBondContact OE1-NZ 3.46Å; E105-K192 IonicContact OE2-NZ 2.69Å; E105-K192 PolarHBondContact OE2-NZ 2.64Å; F186-K192 WeakPolarHBondContact O-CA 3.49Å; K192-N194 VanDerWaalsContact CE-OD1 3.24Å; K192-N194 WeakPolarHBondContact CE-OD1 3.48Å |
| 193 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114.1 | -179.7 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | V20 F23 F24 F102 D103 S185 F186 | V20-V193 HydrophobicContact CG1-CG2 3.85Å; V20-V193 HydrophobicContact CG2-CG2 4.25Å; F23-V193 HydrophobicContact CE1-CG1 4.12Å; F24-V193 HydrophobicContact CZ-CG1 4.12Å; F102-V193 HydrophobicContact CB-CG1 4.19Å; F102-V193 HydrophobicContact CD1-CG1 4.31Å; D103-V193 WeakPolarHBondContact O-CA 3.31Å; S185-V193 WeakPolarHBondContact CA-O 3.34Å; S185-V193 WeakPolarHBondContact CB-O 3.5Å; F186-V193 HydrophobicContact CD1-CB 3.96Å; F186-V193 HydrophobicContact CE1-CB 3.48Å; F186-V193 VanDerWaalsContact CE1-CB 3.48Å; F186-V193 HydrophobicContact CE1-CG1 3.91Å; F186-V193 HydrophobicContact CE1-CG2 3.76Å; F186-V193 HydrophobicContact CE2-CG2 4.17Å; F186-V193 HydrophobicContact CZ-CB 3.83Å; F186-V193 HydrophobicContact CZ-CG1 4.48Å; F186-V193 HydrophobicContact CZ-CG2 3.53Å; F186-V193 PolarHBondContact N-O 3.13Å; F186-V193 PolarHBondContact O-N 3.36Å |
| 194 | N | 98.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.5 | 171.4 | -52.5 | -75.1 | 0 | 0 | 0 | 108.5 | F102 D103 E105 S185 K192 | F102-N194 CarbonylContact C-O 3.54Å; F102-N194 WeakPolarHBondContact CA-O 3.43Å; D103-N194 HydrophobicContact CB-CB 4.37Å; D103-N194 PolarHBondContact N-O 2.81Å; D103-N194 PolarHBondContact O-N 3.14Å; E105-N194 PolarHBondContact OE1-ND2 3.01Å; S185-N194 WeakPolarHBondContact CB-OD1 3.27Å; K192-N194 VanDerWaalsContact CE-OD1 3.24Å; K192-N194 WeakPolarHBondContact CE-OD1 3.48Å |
| 195 | S | 98.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.7 | -175.4 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | F102 L183 | F102-S195 WeakPolarHBondContact CD1-OG 3.15Å; L183-S195 WeakPolarHBondContact CA-O 3.37Å; L183-S195 WeakPolarHBondContact CB-O 3.49Å; L183-S195 PolarHBondContact N-O 3.36Å |
| 196 | M | 97.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 161.2 | 172.6 | 58.6 | 134.2 | -67.8 | 0 | 0 | 110.8 | W100 Q101 E180 V181 R182 A198 | W100-M196 CarbonylContact C-O 3.52Å; Q101-M196 HydrophobicContact CB-CE 4.24Å; Q101-M196 HydrophobicContact CB-CG 3.95Å; Q101-M196 HydrophobicContact CB-SD 4.09Å; Q101-M196 HydrophobicContact CG-CG 4.48Å; Q101-M196 PolarHBondContact N-O 3.44Å; Q101-M196 PolarHBondContact O-N 3.44Å; Q101-M196 VanDerWaalsContact O-O 3.12Å; E180-M196 HydrophobicContact CG-CE 4.24Å; V181-M196 CarbonylContact O-C 3.56Å; V181-M196 WeakPolarHBondContact O-CA 3.5Å; V181-M196 WeakPolarHBondContact O-CB 3.31Å; R182-M196 HydrophobicContact CG-CB 4.37Å; M196-A198 HydrophobicContact CE-CB 3.74Å |
| 197 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.2 | 168.7 | 58.8 | 0 | 0 | 0 | 0 | 109.5 | E98 R99 W100 T138 L142 E180 V181 L183 | E98-V197 HydrophobicContact CB-CG2 4.37Å; R99-V197 WeakPolarHBondContact O-CA 3.11Å; W100-V197 HydrophobicContact CD2-CB 3.83Å; W100-V197 HydrophobicContact CD2-CG2 3.76Å; W100-V197 HydrophobicContact CE3-CB 3.87Å; W100-V197 HydrophobicContact CE3-CG2 4.31Å; W100-V197 HydrophobicContact CG-CB 4.32Å; W100-V197 HydrophobicContact CG-CG2 3.99Å; W100-V197 HydrophobicContact CH2-CB 4.38Å; W100-V197 HydrophobicContact CH2-CG1 4.33Å; W100-V197 HydrophobicContact CZ2-CB 4.34Å; W100-V197 HydrophobicContact CZ2-CG2 4.07Å; W100-V197 HydrophobicContact CZ3-CB 4.15Å; W100-V197 HydrophobicContact CZ3-CG1 4.32Å; T138-V197 HydrophobicContact CG2-CG1 3.56Å; L142-V197 HydrophobicContact CD1-CG1 4.47Å; L142-V197 HydrophobicContact CD1-CG2 4.35Å; L142-V197 HydrophobicContact CD2-CG1 4.2Å; E180-V197 WeakPolarHBondContact CA-O 3.36Å; V181-V197 HydrophobicContact CB-CG1 3.89Å; V181-V197 HydrophobicContact CG2-CG1 4.38Å; V181-V197 PolarHBondContact N-O 3.42Å; V181-V197 PolarHBondContact O-N 3.44Å; L183-V197 HydrophobicContact CD1-CG1 4.47Å |
| 198 | A | 97.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | E98 R99 I175 E179 E180 M196 | E98-A198 CarbonylContact C-O 3.54Å; E98-A198 VanDerWaalsContact CA-O 3.3Å; E98-A198 WeakPolarHBondContact CA-O 3.34Å; R99-A198 HydrophobicContact CB-CB 4.44Å; R99-A198 PolarHBondContact N-O 3.28Å; R99-A198 PolarHBondContact O-N 3.29Å; I175-A198 WeakPolarHBondContact CD1-O 3.45Å; I175-A198 HydrophobicContact CG2-CB 3.93Å; E179-A198 CarbonylContact O-C 3.6Å; E179-A198 VanDerWaalsContact O-CA 3.29Å; E179-A198 WeakPolarHBondContact O-CA 3.36Å; E180-A198 HydrophobicContact CG-CB 4.28Å; M196-A198 HydrophobicContact CE-CB 3.74Å |
| 199 | Y | 96.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.9 | -179.1 | 67.3 | -82.9 | 0 | 0 | 0 | 109.9 | L97 L142 P143 S178 E179 V181 | L97-Y199 WeakPolarHBondContact O-CA 3.29Å; L142-Y199 HydrophobicContact CD2-CD1 3.47Å; L142-Y199 VanDerWaalsContact CD2-CD1 3.47Å; L142-Y199 HydrophobicContact CD2-CD2 4.31Å; L142-Y199 HydrophobicContact CD2-CE1 3.95Å; L142-Y199 HydrophobicContact CD2-CG 3.66Å; P143-Y199 VanDerWaalsContact CD-CD2 3.45Å; P143-Y199 HydrophobicContact CG-CD2 3.91Å; P143-Y199 HydrophobicContact CG-CE2 4.13Å; S178-Y199 CarbonylContact C-O 3.54Å; S178-Y199 WeakPolarHBondContact CA-O 3.49Å; S178-Y199 WeakPolarHBondContact CB-O 3.49Å; E179-Y199 HydrophobicContact CB-CD1 4.37Å; E179-Y199 HydrophobicContact CB-CE1 3.63Å; E179-Y199 HydrophobicContact CB-CE2 4.19Å; E179-Y199 PolarHBondContact N-O 3.49Å; E179-Y199 VanDerWaalsContact O-CD1 3.31Å; E179-Y199 WeakPolarHBondContact O-CD1 3.19Å; E179-Y199 PolarHBondContact O-N 2.81Å; V181-Y199 HydrophobicContact CG2-CD1 4.28Å; V181-Y199 HydrophobicContact CG2-CE1 3.76Å |
| 200 | K | 95.8 | Very high | 92.8 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 18% | 0.183 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.9 | -179.9 | -174 | 168.6 | -175.1 | 172.3 | 0 | 109.9 | E95 L97 I175 P202 | E95-K200 IonicContact OE1-NZ 2.55Å; E95-K200 PolarHBondContact OE1-NZ 3.08Å; L97-K200 PolarHBondContact O-N 3.29Å; I175-K200 HydrophobicContact CD1-CB 4.13Å; I175-K200 HydrophobicContact CG1-CB 4.38Å; K200-P202 WeakPolarHBondContact O-CD 3.21Å |
| 201 | I | 92.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 56.7 Ų | 56.7 | 33% | 0.328 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 121.2 | 172.1 | -51.5 | 176.8 | 0 | 0 | 0 | 107.9 | N177 E179 | N177-I201 PolarHBondContact ND2-O 3.46Å; N177-I201 PolarHBondContact O-N 2.93Å; E179-I201 HydrophobicContact CG-CD1 3.72Å; E179-I201 HydrophobicContact CG-CG1 3.94Å |
| 202 | P | 86.5 | Confident | 92.1 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -61 | 145.5 | 175.3 | -20.3 | 32.3 | 0 | 0 | 0 | 111.1 | P143 K200 | P143-P202 HydrophobicContact CB-CG 3.68Å; P143-P202 HydrophobicContact CG-CG 3.78Å; K200-P202 WeakPolarHBondContact O-CD 3.21Å |
| 203 | V | 85.2 | Confident | 91.6 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 136.8 | 170.3 | -171.3 | 0 | 0 | 0 | 0 | 107.7 | D205 | V203-D205 VanDerWaalsContact C-N 3.27Å; V203-D205 WeakPolarHBondContact CG1-OD1 3.41Å; V203-D205 PolarHBondContact O-N 3.02Å |
| 204 | N | 73.7 | Confident | 91 | Very high | 166 Ų | 166 | 65.1 Ų | 65.1 | 89% | 0.888 | 35% | 0.353 | S | S | * | . | trans | -75.2 | 86.5 | 167.4 | -71.8 | -23 | 0 | 0 | 0 | 107.6 | ||||
| 205 | D | 71.4 | Confident | 90.3 | Very high | 214 Ų | 214 | 67.5 Ų | 67.5 | 100% | 1.144 | 37% | 0.366 | S | S | * | . | trans | -83.9 | 0 | 170.9 | -67.1 | -20.6 | 0 | 0 | 0 | 111.8 | V203 | V203-D205 VanDerWaalsContact C-N 3.27Å; V203-D205 WeakPolarHBondContact CG1-OD1 3.41Å; V203-D205 PolarHBondContact O-N 3.02Å |
Retrieved 205 of 205 residues in 1326.4 ms
(Link to these results)