| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.8 | Very low | 67.9 | Low | 244 Ų | 244 | 84.7 Ų | 84.7 | 100% | 1.202 | 47% | 0.472 | S | S | * | . | 0 | 118.1 | 0 | -64 | 179.6 | -163.4 | 0 | 0 | 106 | K3 | M1-K3 PolarHBondContact O-N 3.31Š| |||
| 2 | S | 48.3 | Very low | 69.6 | Low | 118 Ų | 118 | 78.2 Ų | 78.2 | 83% | 0.825 | 44% | 0.436 | S | S | * | . | trans | -62.3 | 122.9 | 176.7 | 157.6 | 0 | 0 | 0 | 0 | 108.3 | T4 | S2-T4 PolarHBondContact O-N 2.81Š| ||
| 3 | K | 53.5 | Low | 70.8 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 34% | 0.339 | 40% | 0.403 | S | S | . | . | trans | -60.2 | 127 | 171.6 | -70.4 | -179 | -171.1 | 171 | 0 | 107.1 | M1 A5 T147 D151 | M1-K3 PolarHBondContact O-N 3.31Å; K3-A5 PolarHBondContact O-N 3.2Å; K3-T147 WeakPolarHBondContact CE-O 3.46Å; K3-T147 PolarHBondContact NZ-O 3.22Å; K3-D151 IonicContact NZ-OD1 2.67Å; K3-D151 PolarHBondContact NZ-OD1 3.26Å | ||
| 4 | T | 49.8 | Very low | 71.5 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 74% | 0.742 | 38% | 0.38 | S | S | * | . | trans | -70.2 | 115.5 | 173.1 | -20 | 0 | 0 | 0 | 0 | 106.2 | S2 Q6 | S2-T4 PolarHBondContact O-N 2.81Å; T4-Q6 PolarHBondContact O-N 3.31Å | ||
| 5 | A | 56 | Low | 71.8 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 67% | 0.669 | 36% | 0.357 | S | S | * | . | trans | -59.9 | 96.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K3 | K3-A5 PolarHBondContact O-N 3.2Š| ||
| 6 | Q | 69.8 | Low | 71.6 | Confident | 119 Ų | 119 | 63.6 Ų | 63.6 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | trans | -80.8 | 137.2 | 170.9 | -70.1 | -176.9 | 15.7 | 0 | 0 | 108.5 | T4 F149 | T4-Q6 PolarHBondContact O-N 3.31Å; Q6-F149 HydrophobicContact CB-CD1 4.01Å; Q6-F149 HydrophobicContact CB-CE1 4.37Å | ||
| 7 | E | 81.1 | Confident | 71.4 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | trans | -68.1 | 136.7 | 173.1 | -62.5 | -172.6 | 168.9 | 0 | 0 | 109.2 | K216 | E7-K216 WeakPolarHBondContact OE1-CD 3.2Å; E7-K216 WeakPolarHBondContact OE1-CE 3.41Å; E7-K216 IonicContact OE1-NZ 3.26Å; E7-K216 PolarHBondContact OE1-NZ 2.9Å; E7-K216 IonicContact OE2-NZ 3.34Å | ||
| 8 | F | 85.7 | Confident | 71.1 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | trans | -142.1 | 158.7 | 178.6 | 76.9 | -76 | 0 | 0 | 0 | 110.6 | V10 N41 V42 F149 V150 E177 | F8-V10 HydrophobicContact CD2-CG2 4.08Å; F8-V10 HydrophobicContact CE2-CG2 3.46Å; F8-V10 VanDerWaalsContact CE2-CG2 3.46Å; F8-V10 HydrophobicContact CZ-CG2 4.25Å; F8-N41 WeakPolarHBondContact CA-OD1 3.42Å; F8-N41 HydrophobicContact CB-CB 4.22Å; F8-N41 WeakPolarHBondContact CB-OD1 3.02Å; F8-V42 HydrophobicContact CD2-CG2 4.01Å; F8-V42 HydrophobicContact CE2-CG2 4.03Å; F8-F149 HydrophobicContact CB-CB 4.17Å; F8-F149 HydrophobicContact CB-CD1 3.61Å; F8-F149 HydrophobicContact CB-CD2 3.85Å; F8-F149 HydrophobicContact CB-CE1 3.8Å; F8-F149 HydrophobicContact CB-CE2 4.01Å; F8-F149 HydrophobicContact CB-CG 3.6Å; F8-F149 HydrophobicContact CB-CZ 3.95Å; F8-F149 HydrophobicContact CD1-CB 3.58Å; F8-F149 HydrophobicContact CD1-CD1 4.45Å; F8-F149 HydrophobicContact CD1-CG 4Å; F8-F149 HydrophobicContact CD2-CB 4.36Å; F8-F149 HydrophobicContact CD2-CD2 4.08Å; F8-F149 HydrophobicContact CD2-CG 4.28Å; F8-F149 HydrophobicContact CE1-CB 4.02Å; F8-F149 HydrophobicContact CG-CB 3.79Å; F8-F149 HydrophobicContact CG-CD1 4.19Å; F8-F149 AromaticContact CG-CD2 3.94Å; F8-F149 HydrophobicContact CG-CD2 3.94Å; F8-F149 AromaticContact CG-CG 3.72Å; F8-F149 HydrophobicContact CG-CG 3.72Å; F8-V150 HydrophobicContact CE1-CB 4.43Å; F8-V150 HydrophobicContact CE1-CG1 3.78Å; F8-V150 HydrophobicContact CE2-CG1 4.25Å; F8-V150 HydrophobicContact CZ-CG1 3.47Å; F8-V150 VanDerWaalsContact CZ-CG1 3.47Å; F8-E177 WeakPolarHBondContact CZ-OE2 3.44Å | ||
| 9 | T | 89 | Confident | 71.1 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | trans | -111.7 | 134.4 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | D39 N41 V42 | T9-D39 WeakPolarHBondContact CB-O 3.29Å; T9-N41 PolarHBondContact N-OD1 3.46Å; T9-N41 PolarHBondContact O-N 3.35Å; T9-V42 PolarHBondContact O-N 3.01Å | ||
| 10 | V | 88.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.7 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | F8 V12 V42 V44 M218 H219 | F8-V10 HydrophobicContact CD2-CG2 4.08Å; F8-V10 HydrophobicContact CE2-CG2 3.46Å; F8-V10 VanDerWaalsContact CE2-CG2 3.46Å; F8-V10 HydrophobicContact CZ-CG2 4.25Å; V10-V12 HydrophobicContact CG1-CG2 4.3Å; V10-V42 CarbonylContact C-O 3.42Å; V10-V42 WeakPolarHBondContact CA-O 3.35Å; V10-V42 HydrophobicContact CG2-CB 4.41Å; V10-V44 HydrophobicContact CG1-CG2 3.76Å; V10-M218 HydrophobicContact CB-CE 4.26Å; V10-M218 HydrophobicContact CB-CG 4.49Å; V10-M218 HydrophobicContact CG1-CE 4.32Å; V10-M218 HydrophobicContact CG2-CE 4.43Å; V10-H219 PolarHBondContact O-N 2.84Å |
| 11 | G | 89.5 | Confident | 72.5 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V42 V43 V44 | G11-V42 PolarHBondContact N-O 3.02Å; G11-V43 CarbonylContact O-C 3.46Å; G11-V43 VanDerWaalsContact O-CA 3.29Å; G11-V43 WeakPolarHBondContact O-CA 3.2Å; G11-V44 PolarHBondContact O-N 2.93Å |
| 12 | V | 88.3 | Confident | 75 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.8 | 179.8 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | V10 V201 H219 T220 | V10-V12 HydrophobicContact CG1-CG2 4.3Å; V12-V201 HydrophobicContact CG1-CB 3.37Å; V12-V201 HydrophobicContact CG1-CG1 3.55Å; V12-V201 HydrophobicContact CG1-CG2 4.18Å; V12-H219 PolarHBondContact N-O 3.37Å; V12-T220 HydrophobicContact CB-CG2 4.44Å; V12-T220 HydrophobicContact CG1-CG2 4.39Å |
| 13 | V | 85.9 | Confident | 77 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | trans | -89.9 | 136 | -177.8 | 168.3 | 0 | 0 | 0 | 0 | 109.8 | V15 Q31 I32 V43 V44 L45 P46 | V13-V15 HydrophobicContact CG1-CG2 3.66Å; V13-Q31 HydrophobicContact CB-CB 4.46Å; V13-Q31 HydrophobicContact CG1-CB 3.87Å; V13-Q31 HydrophobicContact CG2-CB 3.98Å; V13-I32 HydrophobicContact CG2-CG1 4.26Å; V13-V43 HydrophobicContact CG2-CG1 3.63Å; V13-V44 PolarHBondContact N-O 3.29Å; V13-L45 HydrophobicContact CB-CD2 3.6Å; V13-L45 HydrophobicContact CG1-CD2 3.83Å; V13-L45 HydrophobicContact CG2-CD2 3.59Å; V13-P46 WeakPolarHBondContact O-CD 3.35Å | ||
| 14 | Q | 80.4 | Confident | 78.7 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | trans | -126.1 | 115.1 | 177.1 | -68.9 | -166.6 | -15.2 | 0 | 0 | 110.5 | Q31 I222 | Q14-Q31 VanDerWaalsContact O-CD 3.29Å; Q14-Q31 PolarHBondContact O-NE2 2.67Å; Q14-Q31 PolarHBondContact O-OE1 3.03Å; Q14-I222 VanDerWaalsContact OE1-CG1 3.3Å | ||
| 15 | V | 75.4 | Confident | 80.8 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | trans | -117.5 | 124.5 | -174.9 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | V13 A17 V28 P46 N199 | V13-V15 HydrophobicContact CG1-CG2 3.66Å; V15-A17 PolarHBondContact O-N 2.86Å; V15-V28 HydrophobicContact CB-CG2 4.43Å; V15-V28 HydrophobicContact CG1-CG2 4.34Å; V15-V28 HydrophobicContact CG2-CB 4.5Å; V15-V28 HydrophobicContact CG2-CG2 3.49Å; V15-V28 VanDerWaalsContact CG2-CG2 3.49Å; V15-P46 HydrophobicContact CB-CG 4.34Å; V15-P46 HydrophobicContact CG2-CG 4.46Å; V15-N199 PolarHBondContact O-ND2 3.1Å | ||
| 16 | S | 69.6 | Low | 82.5 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | trans | -77.7 | 94 | 162.6 | 53.1 | 0 | 0 | 0 | 0 | 107.1 | L18 | S16-L18 PolarHBondContact O-N 2.9Š| ||
| 17 | A | 67.4 | Low | 83.5 | Confident | 13 Ų | 13 | 38 Ų | 38 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | trans | -72.2 | 50.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 N24 C51 P52 R53 | V15-A17 PolarHBondContact O-N 2.86Å; A17-N24 WeakPolarHBondContact CA-OD1 3.43Å; A17-C51 VanDerWaalsContact CB-O 3.27Å; A17-C51 WeakPolarHBondContact CB-O 3.18Å; A17-P52 CarbonylContact O-C 3.48Å; A17-P52 WeakPolarHBondContact O-CA 3.42Å; A17-R53 WeakPolarHBondContact O-CB 3.48Å; A17-R53 PolarHBondContact O-N 3.45Å | ||
| 18 | L | 66.1 | Low | 84.1 | Confident | 125 Ų | 125 | 32.3 Ų | 32.3 | 65% | 0.654 | 20% | 0.197 | S | C | * | . | trans | -86.4 | -14.6 | -175.8 | -63.3 | 176.5 | 0 | 0 | 0 | 112.5 | S16 R53 | S16-L18 PolarHBondContact O-N 2.9Å; L18-R53 HydrophobicContact CD2-CB 4.43Å | ||
| 19 | G | 71.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 32.2 Ų | 32.2 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -98.7 | -168.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S23 P52 | G19-S23 VanDerWaalsContact CA-OG 3.29Å; G19-S23 WeakPolarHBondContact CA-OG 3.49Å; G19-P52 VanDerWaalsContact O-CB 3.32Å; G19-P52 WeakPolarHBondContact O-CB 3.38Å; G19-P52 WeakPolarHBondContact O-CG 3.31Å |
| 20 | N | 84.8 | Confident | 84.9 | Confident | 97 Ų | 97 | 37 Ų | 37 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | trans | -75.2 | 169.5 | 170 | 64.6 | 31.6 | 0 | 0 | 0 | 111 | D22 S23 N24 | N20-D22 VanDerWaalsContact C-N 3.26Å; N20-D22 PolarHBondContact O-N 3.1Å; N20-D22 PolarHBondContact OD1-N 2.92Å; N20-S23 PolarHBondContact N-OG 2.98Å; N20-S23 PolarHBondContact O-N 3.41Å; N20-S23 VanDerWaalsContact O-N 3.16Å; N20-S23 PolarHBondContact O-OG 3.42Å; N20-S23 PolarHBondContact OD1-N 2.86Å; N20-S23 PolarHBondContact OD1-OG 2.68Å; N20-N24 PolarHBondContact O-N 2.76Å; N20-N24 PolarHBondContact O-ND2 3.38Å | ||
| 21 | Q | 86.1 | Confident | 85.2 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52 | -43.1 | -179.7 | -169.5 | -174.5 | 11.1 | 0 | 0 | 112.7 | S23 N24 L25 T50 Y61 E63 T71 | Q21-S23 PolarHBondContact O-N 2.6Å; Q21-N24 PolarHBondContact O-N 2.71Å; Q21-L25 HydrophobicContact CG-CD1 4.09Å; Q21-L25 HydrophobicContact CG-CG 4.34Å; Q21-L25 WeakPolarHBondContact O-CB 3.42Å; Q21-L25 VanDerWaalsContact O-CG 3.3Å; Q21-L25 WeakPolarHBondContact O-CG 3.46Å; Q21-L25 PolarHBondContact O-N 2.95Å; Q21-T50 WeakPolarHBondContact CA-O 3.4Å; Q21-Y61 HydrophobicContact CB-CD1 4.36Å; Q21-E63 PolarHBondContact NE2-OE1 2.83Å; Q21-T71 PolarHBondContact NE2-OG1 3.39Å |
| 22 | D | 89.2 | Confident | 85.5 | Confident | 77 Ų | 77 | 38 Ų | 38 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.2 | -41.9 | -177.8 | -64.3 | -15.7 | 0 | 0 | 0 | 112.3 | N20 S26 R70 | N20-D22 VanDerWaalsContact C-N 3.26Å; N20-D22 PolarHBondContact O-N 3.1Å; N20-D22 PolarHBondContact OD1-N 2.92Å; D22-S26 WeakPolarHBondContact O-CB 3.42Å; D22-S26 PolarHBondContact O-N 3.21Å; D22-S26 PolarHBondContact O-OG 2.64Å; D22-R70 IonicContact OD1-CZ 3.68Å; D22-R70 IonicContact OD1-NH1 2.74Å; D22-R70 PolarHBondContact OD1-NH1 3.4Å; D22-R70 IonicContact OD1-NH2 3.45Å; D22-R70 PolarHBondContact OD1-NH2 3.35Å; D22-R70 IonicContact OD2-NH1 2.7Å |
| 23 | S | 89.8 | Confident | 85.9 | Confident | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -37 | 176.3 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | G19 N20 Q21 S26 S27 | G19-S23 VanDerWaalsContact CA-OG 3.29Å; G19-S23 WeakPolarHBondContact CA-OG 3.49Å; N20-S23 PolarHBondContact N-OG 2.98Å; N20-S23 PolarHBondContact O-N 3.41Å; N20-S23 VanDerWaalsContact O-N 3.16Å; N20-S23 PolarHBondContact O-OG 3.42Å; N20-S23 PolarHBondContact OD1-N 2.86Å; N20-S23 PolarHBondContact OD1-OG 2.68Å; Q21-S23 PolarHBondContact O-N 2.6Å; S23-S26 PolarHBondContact O-N 3.01Å; S23-S27 WeakPolarHBondContact O-CB 3.44Å; S23-S27 PolarHBondContact O-N 2.98Å |
| 24 | N | 90 | Very high | 86.4 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -48.3 | 175.6 | -65.1 | -18.4 | 0 | 0 | 0 | 110.6 | A17 N20 Q21 S26 S27 V28 F49 T50 | A17-N24 WeakPolarHBondContact CA-OD1 3.43Å; N20-N24 PolarHBondContact O-N 2.76Å; N20-N24 PolarHBondContact O-ND2 3.38Å; Q21-N24 PolarHBondContact O-N 2.71Å; N24-S26 VanDerWaalsContact C-N 3.31Å; N24-S26 PolarHBondContact O-N 3.28Å; N24-S27 PolarHBondContact O-N 2.9Å; N24-V28 WeakPolarHBondContact O-CB 3.46Å; N24-V28 WeakPolarHBondContact O-CG2 3.44Å; N24-V28 PolarHBondContact O-N 3.44Å; N24-F49 WeakPolarHBondContact CB-O 3.45Å; N24-T50 PolarHBondContact ND2-O 3.28Å |
| 25 | L | 92.4 | Very high | 87 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -41.2 | 176.2 | -72.4 | 176.2 | 0 | 0 | 0 | 112.1 | Q21 V28 A29 F49 T50 T71 L74 | Q21-L25 HydrophobicContact CG-CD1 4.09Å; Q21-L25 HydrophobicContact CG-CG 4.34Å; Q21-L25 WeakPolarHBondContact O-CB 3.42Å; Q21-L25 VanDerWaalsContact O-CG 3.3Å; Q21-L25 WeakPolarHBondContact O-CG 3.46Å; Q21-L25 PolarHBondContact O-N 2.95Å; L25-V28 PolarHBondContact O-N 3.48Å; L25-A29 WeakPolarHBondContact O-CB 3.29Å; L25-A29 PolarHBondContact O-N 3.17Å; L25-F49 HydrophobicContact CD2-CE2 4.04Å; L25-T50 HydrophobicContact CD2-CG2 3.89Å; L25-T71 HydrophobicContact CD2-CG2 3.96Å; L25-L74 HydrophobicContact CB-CD2 3.93Å; L25-L74 HydrophobicContact CD2-CD2 4.15Å |
| 26 | S | 92.7 | Very high | 88 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | D22 S23 N24 A29 L30 | D22-S26 WeakPolarHBondContact O-CB 3.42Å; D22-S26 PolarHBondContact O-N 3.21Å; D22-S26 PolarHBondContact O-OG 2.64Å; S23-S26 PolarHBondContact O-N 3.01Å; N24-S26 VanDerWaalsContact C-N 3.31Å; N24-S26 PolarHBondContact O-N 3.28Å; S26-A29 PolarHBondContact O-N 3.43Å; S26-L30 WeakPolarHBondContact O-CG 3.33Å; S26-L30 PolarHBondContact O-N 2.91Å; S26-L30 VanDerWaalsContact O-N 3.12Å |
| 27 | S | 91.5 | Very high | 89.2 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 176 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | S23 N24 A29 L30 Q31 | S23-S27 WeakPolarHBondContact O-CB 3.44Å; S23-S27 PolarHBondContact O-N 2.98Å; N24-S27 PolarHBondContact O-N 2.9Å; S27-A29 PolarHBondContact O-N 2.86Å; S27-L30 PolarHBondContact O-N 2.81Å; S27-Q31 WeakPolarHBondContact O-CG 3.24Å; S27-Q31 PolarHBondContact O-N 2.89Å; S27-Q31 PolarHBondContact OG-NE2 3.18Å |
| 28 | V | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -47 | 176.8 | 171 | 0 | 0 | 0 | 0 | 110.9 | V15 N24 L25 L30 Q31 I32 L45 F49 I75 | V15-V28 HydrophobicContact CB-CG2 4.43Å; V15-V28 HydrophobicContact CG1-CG2 4.34Å; V15-V28 HydrophobicContact CG2-CB 4.5Å; V15-V28 HydrophobicContact CG2-CG2 3.49Å; V15-V28 VanDerWaalsContact CG2-CG2 3.49Å; N24-V28 WeakPolarHBondContact O-CB 3.46Å; N24-V28 WeakPolarHBondContact O-CG2 3.44Å; N24-V28 PolarHBondContact O-N 3.44Å; L25-V28 PolarHBondContact O-N 3.48Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.36Å; V28-Q31 PolarHBondContact O-N 3.08Å; V28-I32 HydrophobicContact CG1-CD1 3.59Å; V28-I32 HydrophobicContact CG1-CG1 4.27Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 PolarHBondContact O-N 2.64Å; V28-L45 HydrophobicContact CG1-CD1 3.8Å; V28-L45 HydrophobicContact CG1-CD2 4.03Å; V28-F49 HydrophobicContact CB-CD2 4.3Å; V28-F49 HydrophobicContact CG1-CD2 4.08Å; V28-F49 HydrophobicContact CG1-CE2 4.03Å; V28-F49 HydrophobicContact CG2-CB 4.32Å; V28-F49 HydrophobicContact CG2-CD2 3.49Å; V28-F49 VanDerWaalsContact CG2-CD2 3.49Å; V28-F49 HydrophobicContact CG2-CE2 4.18Å; V28-F49 HydrophobicContact CG2-CG 4.26Å; V28-I75 HydrophobicContact CG1-CD1 4.32Å |
| 29 | A | 95.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 S26 S27 Q31 I32 V33 L74 L78 | L25-A29 WeakPolarHBondContact O-CB 3.29Å; L25-A29 PolarHBondContact O-N 3.17Å; S26-A29 PolarHBondContact O-N 3.43Å; S27-A29 PolarHBondContact O-N 2.86Å; A29-Q31 VanDerWaalsContact C-N 3.34Å; A29-Q31 PolarHBondContact O-N 3.03Å; A29-I32 PolarHBondContact O-N 2.99Å; A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.43Å; A29-V33 PolarHBondContact O-N 2.93Å; A29-L74 HydrophobicContact CB-CD1 4.29Å; A29-L74 HydrophobicContact CB-CD2 4.33Å; A29-L78 HydrophobicContact CB-CD1 3.87Å |
| 30 | L | 95.1 | Very high | 92.8 | Very high | 128 Ų | 128 | 50.3 Ų | 50.3 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 176.9 | -70.4 | 173.2 | 0 | 0 | 0 | 112 | S26 S27 V28 V33 E34 | S26-L30 WeakPolarHBondContact O-CG 3.33Å; S26-L30 PolarHBondContact O-N 2.91Å; S26-L30 VanDerWaalsContact O-N 3.12Å; S27-L30 PolarHBondContact O-N 2.81Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.36Å; L30-V33 PolarHBondContact O-N 3.49Å; L30-E34 WeakPolarHBondContact O-CB 3.36Å; L30-E34 PolarHBondContact O-N 3.21Å |
| 31 | Q | 94.5 | Very high | 93.3 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.8 | -35 | 179.2 | -69.3 | -172 | 50.7 | 0 | 0 | 113.1 | V13 Q14 S27 V28 A29 E34 A35 | V13-Q31 HydrophobicContact CB-CB 4.46Å; V13-Q31 HydrophobicContact CG1-CB 3.87Å; V13-Q31 HydrophobicContact CG2-CB 3.98Å; Q14-Q31 VanDerWaalsContact O-CD 3.29Å; Q14-Q31 PolarHBondContact O-NE2 2.67Å; Q14-Q31 PolarHBondContact O-OE1 3.03Å; S27-Q31 WeakPolarHBondContact O-CG 3.24Å; S27-Q31 PolarHBondContact O-N 2.89Å; S27-Q31 PolarHBondContact OG-NE2 3.18Å; V28-Q31 PolarHBondContact O-N 3.08Å; A29-Q31 VanDerWaalsContact C-N 3.34Å; A29-Q31 PolarHBondContact O-N 3.03Å; Q31-E34 PolarHBondContact O-N 3.1Å; Q31-A35 WeakPolarHBondContact O-CB 3.29Å; Q31-A35 PolarHBondContact O-N 2.99Å |
| 32 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 172.9 | -68.7 | 163.5 | 0 | 0 | 0 | 110.2 | V13 V28 A29 E34 A35 A36 V43 L45 I75 L78 L82 I84 I86 | V13-I32 HydrophobicContact CG2-CG1 4.26Å; V28-I32 HydrophobicContact CG1-CD1 3.59Å; V28-I32 HydrophobicContact CG1-CG1 4.27Å; V28-I32 VanDerWaalsContact O-CG1 3.27Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 PolarHBondContact O-N 2.64Å; A29-I32 PolarHBondContact O-N 2.99Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.4Å; I32-A35 PolarHBondContact O-N 2.66Å; I32-A36 PolarHBondContact O-N 2.87Å; I32-V43 HydrophobicContact CG1-CG1 4.03Å; I32-L45 HydrophobicContact CD1-CD1 4.23Å; I32-L45 HydrophobicContact CD1-CD2 3.98Å; I32-L45 HydrophobicContact CG1-CD2 3.85Å; I32-I75 HydrophobicContact CD1-CD1 3.69Å; I32-L78 HydrophobicContact CB-CD1 4.39Å; I32-L78 HydrophobicContact CD1-CD1 3.73Å; I32-L78 HydrophobicContact CG2-CB 4.24Å; I32-L78 HydrophobicContact CG2-CD1 4.4Å; I32-L82 HydrophobicContact CG2-CD1 3.73Å; I32-I84 HydrophobicContact CG2-CD1 3.9Å; I32-I86 HydrophobicContact CD1-CD1 4.37Å; I32-I86 HydrophobicContact CG2-CD1 3.95Å |
| 33 | V | 97.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 40% | 0.4 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -43 | 177.4 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | A29 L30 A36 R37 L78 L82 | A29-V33 VanDerWaalsContact O-CG2 3.31Å; A29-V33 WeakPolarHBondContact O-CG2 3.43Å; A29-V33 PolarHBondContact O-N 2.93Å; L30-V33 PolarHBondContact O-N 3.49Å; V33-A36 PolarHBondContact O-N 2.76Å; V33-R37 WeakPolarHBondContact O-CB 3.41Å; V33-R37 PolarHBondContact O-N 2.84Å; V33-L78 HydrophobicContact CG2-CD2 3.96Å; V33-L82 HydrophobicContact CG2-CD1 4.12Å |
| 34 | E | 95.7 | Very high | 93.8 | Very high | 72 Ų | 72 | 40.3 Ų | 40.3 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.3 | -179.1 | 61.3 | -174.7 | 0 | 0 | 112.3 | L30 Q31 I32 A36 R37 L38 | L30-E34 WeakPolarHBondContact O-CB 3.36Å; L30-E34 PolarHBondContact O-N 3.21Å; Q31-E34 PolarHBondContact O-N 3.1Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.4Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.72Å; E34-R37 WeakPolarHBondContact O-CB 3.23Å; E34-R37 PolarHBondContact O-N 3.27Å; E34-R37 VanDerWaalsContact O-N 3.15Å; E34-R37 IonicContact OE1-CZ 3.85Å; E34-R37 IonicContact OE1-NE 3.41Å; E34-R37 PolarHBondContact OE1-NE 3.42Å; E34-R37 IonicContact OE1-NH2 3.59Å; E34-R37 PolarHBondContact OE1-NH2 2.76Å; E34-R37 IonicContact OE2-CZ 2.6Å; E34-R37 IonicContact OE2-NE 2.68Å; E34-R37 PolarHBondContact OE2-NE 3.43Å; E34-R37 IonicContact OE2-NH2 2.87Å; E34-L38 HydrophobicContact CG-CD1 4.29Å; E34-L38 WeakPolarHBondContact O-CG 3.47Å; E34-L38 PolarHBondContact O-N 3.23Å; E34-L38 VanDerWaalsContact O-N 3.09Å |
| 35 | A | 93.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q31 I32 R37 L38 A40 V43 | Q31-A35 WeakPolarHBondContact O-CB 3.29Å; Q31-A35 PolarHBondContact O-N 2.99Å; I32-A35 PolarHBondContact O-N 2.66Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.43Å; A35-L38 CarbonylContact O-C 3.58Å; A35-L38 PolarHBondContact O-N 3.13Å; A35-L38 VanDerWaalsContact O-N 3.11Å; A35-A40 HydrophobicContact CB-CB 4.03Å; A35-A40 WeakPolarHBondContact O-CB 3.43Å; A35-A40 PolarHBondContact O-N 3.47Å; A35-V43 HydrophobicContact CB-CG2 3.79Å |
| 36 | A | 95.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I32 V33 E34 L38 D39 L82 I84 | I32-A36 PolarHBondContact O-N 2.87Å; V33-A36 PolarHBondContact O-N 2.76Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 2.72Å; A36-L38 PolarHBondContact O-N 3.18Å; A36-D39 PolarHBondContact O-N 2.9Å; A36-D39 VanDerWaalsContact O-N 3.07Å; A36-L82 HydrophobicContact CB-CB 4.05Å; A36-L82 HydrophobicContact CB-CD1 3.87Å; A36-L82 HydrophobicContact CB-CD2 4.01Å; A36-L82 HydrophobicContact CB-CG 4.2Å; A36-I84 HydrophobicContact CB-CD1 4.31Å; A36-I84 HydrophobicContact CB-CG2 4.39Å |
| 37 | R | 95.8 | Very high | 93.2 | Very high | 156 Ų | 156 | 37.5 Ų | 37.5 | 59% | 0.589 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.9 | -24.4 | 174.4 | -163.5 | -168.8 | 67.4 | 72 | -1.6 | 112.6 | V33 E34 A35 D39 | V33-R37 WeakPolarHBondContact O-CB 3.41Å; V33-R37 PolarHBondContact O-N 2.84Å; E34-R37 WeakPolarHBondContact O-CB 3.23Å; E34-R37 PolarHBondContact O-N 3.27Å; E34-R37 VanDerWaalsContact O-N 3.15Å; E34-R37 IonicContact OE1-CZ 3.85Å; E34-R37 IonicContact OE1-NE 3.41Å; E34-R37 PolarHBondContact OE1-NE 3.42Å; E34-R37 IonicContact OE1-NH2 3.59Å; E34-R37 PolarHBondContact OE1-NH2 2.76Å; E34-R37 IonicContact OE2-CZ 2.6Å; E34-R37 IonicContact OE2-NE 2.68Å; E34-R37 PolarHBondContact OE2-NE 3.43Å; E34-R37 IonicContact OE2-NH2 2.87Å; A35-R37 VanDerWaalsContact C-N 3.34Å; A35-R37 PolarHBondContact O-N 3.43Å; R37-D39 VanDerWaalsContact C-N 3.32Å |
| 38 | L | 94.1 | Very high | 93 | Very high | 54 Ų | 54 | 36.4 Ų | 36.4 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 27.8 | 176.3 | -62.2 | 173.4 | 0 | 0 | 0 | 112.4 | E34 A35 A36 A40 H221 | E34-L38 HydrophobicContact CG-CD1 4.29Å; E34-L38 WeakPolarHBondContact O-CG 3.47Å; E34-L38 PolarHBondContact O-N 3.23Å; E34-L38 VanDerWaalsContact O-N 3.09Å; A35-L38 CarbonylContact O-C 3.58Å; A35-L38 PolarHBondContact O-N 3.13Å; A35-L38 VanDerWaalsContact O-N 3.11Å; A36-L38 PolarHBondContact O-N 3.18Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.75Å; L38-H221 WeakPolarHBondContact CD1-NE2 3.3Å |
| 39 | D | 94.4 | Very high | 92.8 | Very high | 126 Ų | 126 | 36.6 Ų | 36.6 | 67% | 0.674 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 21.2 | 175.5 | -56.8 | -49.8 | 0 | 0 | 0 | 115.1 | T9 A36 R37 N41 | T9-D39 WeakPolarHBondContact CB-O 3.29Å; A36-D39 PolarHBondContact O-N 2.9Å; A36-D39 VanDerWaalsContact O-N 3.07Å; R37-D39 VanDerWaalsContact C-N 3.32Å; D39-N41 PolarHBondContact O-N 3.08Å |
| 40 | A | 92.8 | Very high | 92.4 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | -62.6 | 128.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | A35 L38 V43 I84 | A35-A40 HydrophobicContact CB-CB 4.03Å; A35-A40 WeakPolarHBondContact O-CB 3.43Å; A35-A40 PolarHBondContact O-N 3.47Å; L38-A40 VanDerWaalsContact C-N 3.28Å; L38-A40 PolarHBondContact O-N 2.75Å; A40-V43 HydrophobicContact CB-CG2 3.93Å; A40-I84 VanDerWaalsContact O-CG2 3.23Å; A40-I84 WeakPolarHBondContact O-CG2 3.09Å | ||
| 41 | N | 93.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 21% | 0.214 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -97.9 | -27.5 | 175 | -49.9 | 115.7 | 0 | 0 | 0 | 112.3 | F8 T9 D39 Y85 F149 | F8-N41 WeakPolarHBondContact CA-OD1 3.42Å; F8-N41 HydrophobicContact CB-CB 4.22Å; F8-N41 WeakPolarHBondContact CB-OD1 3.02Å; T9-N41 PolarHBondContact N-OD1 3.46Å; T9-N41 PolarHBondContact O-N 3.35Å; D39-N41 PolarHBondContact O-N 3.08Å; N41-Y85 PolarHBondContact O-N 3.01Å; N41-F149 HydrophobicContact CB-CD2 4.48Å; N41-F149 HydrophobicContact CB-CE2 3.5Å; N41-F149 HydrophobicContact CB-CZ 3.69Å |
| 42 | V | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.1 | 173.6 | -175 | 0 | 0 | 0 | 0 | 107.5 | F8 T9 V10 G11 Y85 I87 I152 | F8-V42 HydrophobicContact CD2-CG2 4.01Å; F8-V42 HydrophobicContact CE2-CG2 4.03Å; T9-V42 PolarHBondContact O-N 3.01Å; V10-V42 CarbonylContact C-O 3.42Å; V10-V42 WeakPolarHBondContact CA-O 3.35Å; V10-V42 HydrophobicContact CG2-CB 4.41Å; G11-V42 PolarHBondContact N-O 3.02Å; V42-Y85 CarbonylContact C-O 3.6Å; V42-Y85 WeakPolarHBondContact CA-O 3.39Å; V42-Y85 HydrophobicContact CG2-CD2 4.46Å; V42-I87 HydrophobicContact CG1-CD1 4.17Å; V42-I87 HydrophobicContact CG1-CG1 4.2Å; V42-I152 HydrophobicContact CG1-CD1 4.39Å; V42-I152 HydrophobicContact CG2-CD1 4.44Å |
| 43 | V | 93 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.8 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | G11 V13 I32 A35 A40 L45 I84 Y85 I86 I87 | G11-V43 CarbonylContact O-C 3.46Å; G11-V43 VanDerWaalsContact O-CA 3.29Å; G11-V43 WeakPolarHBondContact O-CA 3.2Å; V13-V43 HydrophobicContact CG2-CG1 3.63Å; I32-V43 HydrophobicContact CG1-CG1 4.03Å; A35-V43 HydrophobicContact CB-CG2 3.79Å; A40-V43 HydrophobicContact CB-CG2 3.93Å; V43-L45 HydrophobicContact CG1-CD2 4.1Å; V43-I84 HydrophobicContact CB-CD1 4.25Å; V43-I84 HydrophobicContact CG2-CD1 3.67Å; V43-Y85 PolarHBondContact N-O 2.68Å; V43-I86 CarbonylContact O-C 3.55Å; V43-I86 WeakPolarHBondContact O-CA 3.44Å; V43-I87 PolarHBondContact O-N 3.43Å |
| 44 | V | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.4 | -176.8 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | V10 G11 V13 I87 I179 C181 V201 | V10-V44 HydrophobicContact CG1-CG2 3.76Å; G11-V44 PolarHBondContact O-N 2.93Å; V13-V44 PolarHBondContact N-O 3.29Å; V44-I87 HydrophobicContact CG1-CB 4.37Å; V44-I87 HydrophobicContact CG2-CB 4.39Å; V44-I87 HydrophobicContact CG2-CD1 4.18Å; V44-I179 HydrophobicContact CG2-CG2 4.06Å; V44-C181 WeakPolarHBondContact CG1-SG 3.38Å; V44-V201 HydrophobicContact CG1-CG1 3.95Å |
| 45 | L | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -98.9 | 159.3 | 179.2 | -51.5 | -174.2 | 0 | 0 | 0 | 112.1 | V13 V28 I32 V43 F49 I75 I86 I87 A88 G89 | V13-L45 HydrophobicContact CB-CD2 3.6Å; V13-L45 HydrophobicContact CG1-CD2 3.83Å; V13-L45 HydrophobicContact CG2-CD2 3.59Å; V28-L45 HydrophobicContact CG1-CD1 3.8Å; V28-L45 HydrophobicContact CG1-CD2 4.03Å; I32-L45 HydrophobicContact CD1-CD1 4.23Å; I32-L45 HydrophobicContact CD1-CD2 3.98Å; I32-L45 HydrophobicContact CG1-CD2 3.85Å; V43-L45 HydrophobicContact CG1-CD2 4.1Å; L45-F49 HydrophobicContact CB-CD1 3.97Å; L45-F49 HydrophobicContact CB-CE1 4.26Å; L45-F49 HydrophobicContact CB-CG 4.43Å; L45-F49 HydrophobicContact CD1-CD1 4.11Å; L45-F49 HydrophobicContact CD1-CD2 4.46Å; L45-F49 HydrophobicContact CD1-CE1 3.72Å; L45-F49 HydrophobicContact CD1-CE2 4.07Å; L45-F49 HydrophobicContact CD1-CG 4.46Å; L45-F49 HydrophobicContact CD1-CZ 3.68Å; L45-I75 HydrophobicContact CD1-CD1 3.73Å; L45-I86 HydrophobicContact CD1-CG2 4.34Å; L45-I86 HydrophobicContact CG-CG2 4.3Å; L45-I87 PolarHBondContact N-O 3.33Å; L45-A88 HydrophobicContact CD1-CB 4.29Å; L45-G89 WeakPolarHBondContact O-CA 3.45Å |
| 46 | P | 86.8 | Confident | 87.9 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 161.9 | 177.1 | 18.4 | -18.8 | 0 | 0 | 0 | 114.1 | V13 V15 F49 G89 T90 T183 V201 | V13-P46 WeakPolarHBondContact O-CD 3.35Å; V15-P46 HydrophobicContact CB-CG 4.34Å; V15-P46 HydrophobicContact CG2-CG 4.46Å; P46-F49 HydrophobicContact CG-CB 3.77Å; P46-F49 WeakPolarHBondContact O-CD1 2.89Å; P46-G89 VanDerWaalsContact O-CA 3.3Å; P46-G89 WeakPolarHBondContact O-CA 3.46Å; P46-T90 PolarHBondContact O-N 2.93Å; P46-T183 VanDerWaalsContact CA-OG1 3.32Å; P46-T183 WeakPolarHBondContact CA-OG1 3.34Å; P46-T183 WeakPolarHBondContact CB-OG1 3.48Å; P46-V201 HydrophobicContact CB-CG2 3.82Å |
| 47 | E | 85 | Confident | 87.4 | Confident | 20 Ų | 20 | 39.9 Ų | 39.9 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 134.2 | 168.1 | -158.7 | -175.1 | 157 | 0 | 0 | 109.3 | F49 T90 N101 K118 R121 T183 | E47-F49 PolarHBondContact O-N 3.5Å; E47-T90 WeakPolarHBondContact CA-OG1 3.16Å; E47-T90 HydrophobicContact CG-CG2 3.84Å; E47-T90 WeakPolarHBondContact CG-OG1 3.38Å; E47-N101 PolarHBondContact OE1-ND2 3.09Å; E47-K118 IonicContact OE1-NZ 2.99Å; E47-K118 PolarHBondContact OE1-NZ 3.46Å; E47-K118 IonicContact OE2-NZ 3.16Å; E47-K118 PolarHBondContact OE2-NZ 3.02Å; E47-R121 IonicContact OE1-CZ 3.22Å; E47-R121 IonicContact OE1-NE 3.77Å; E47-R121 IonicContact OE1-NH1 3.09Å; E47-R121 PolarHBondContact OE1-NH1 2.99Å; E47-T183 PolarHBondContact N-OG1 3.29Å |
| 48 | Y | 87 | Confident | 87 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.3 | 179.7 | -73.2 | -64.8 | 0 | 0 | 0 | 115.8 | T50 C51 F55 I58 T90 P92 N101 R121 L129 | Y48-T50 PolarHBondContact O-N 3.39Å; Y48-C51 HydrophobicContact CD1-CB 4.27Å; Y48-C51 VanDerWaalsContact CD1-SG 3.59Å; Y48-C51 PolarHBondContact O-N 2.93Å; Y48-F55 AromaticContact CD1-CE1 3.81Å; Y48-F55 HydrophobicContact CD1-CE1 3.81Å; Y48-F55 HydrophobicContact CD1-CE2 4.16Å; Y48-F55 AromaticContact CD1-CZ 3.29Å; Y48-F55 HydrophobicContact CD1-CZ 3.29Å; Y48-F55 HydrophobicContact CD2-CE1 4.27Å; Y48-F55 HydrophobicContact CD2-CZ 4.01Å; Y48-F55 HydrophobicContact CE1-CE1 4.42Å; Y48-F55 HydrophobicContact CE1-CE2 4.1Å; Y48-F55 AromaticContact CE1-CZ 3.5Å; Y48-F55 HydrophobicContact CE1-CZ 3.5Å; Y48-F55 VanDerWaalsContact CE1-CZ 3.5Å; Y48-F55 HydrophobicContact CE2-CZ 4.23Å; Y48-F55 AromaticContact CG-CE1 3.71Å; Y48-F55 HydrophobicContact CG-CE1 3.71Å; Y48-F55 AromaticContact CG-CZ 3.56Å; Y48-F55 HydrophobicContact CG-CZ 3.56Å; Y48-F55 AromaticContact CZ-CZ 3.96Å; Y48-I58 WeakPolarHBondContact OH-CD1 3.32Å; Y48-T90 VanDerWaalsContact CA-O 3.31Å; Y48-T90 WeakPolarHBondContact CA-O 3.4Å; Y48-T90 PolarHBondContact N-O 2.91Å; Y48-T90 PolarHBondContact N-OG1 3.4Å; Y48-T90 VanDerWaalsContact N-OG1 3.16Å; Y48-P92 HydrophobicContact CD1-CG 4.02Å; Y48-P92 HydrophobicContact CE1-CG 3.67Å; Y48-N101 HydrophobicContact CE2-CB 4.5Å; Y48-N101 WeakPolarHBondContact CE2-ND2 3.37Å; Y48-N101 VanDerWaalsContact CZ-CG 3.5Å; Y48-N101 WeakPolarHBondContact OH-CB 3.34Å; Y48-N101 PolarHBondContact OH-OD1 2.82Å; Y48-R121 VanDerWaalsContact CE2-CZ 3.43Å; Y48-R121 PolarHBondContact OH-NH2 2.95Å; Y48-L129 HydrophobicContact CE2-CD1 4.38Å |
| 49 | F | 87.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.9 | -178.8 | 73.8 | -95.4 | 0 | 0 | 0 | 113.6 | N24 L25 V28 L45 P46 E47 T71 I75 A88 V91 | N24-F49 WeakPolarHBondContact CB-O 3.45Å; L25-F49 HydrophobicContact CD2-CE2 4.04Å; V28-F49 HydrophobicContact CB-CD2 4.3Å; V28-F49 HydrophobicContact CG1-CD2 4.08Å; V28-F49 HydrophobicContact CG1-CE2 4.03Å; V28-F49 HydrophobicContact CG2-CB 4.32Å; V28-F49 HydrophobicContact CG2-CD2 3.49Å; V28-F49 VanDerWaalsContact CG2-CD2 3.49Å; V28-F49 HydrophobicContact CG2-CE2 4.18Å; V28-F49 HydrophobicContact CG2-CG 4.26Å; L45-F49 HydrophobicContact CB-CD1 3.97Å; L45-F49 HydrophobicContact CB-CE1 4.26Å; L45-F49 HydrophobicContact CB-CG 4.43Å; L45-F49 HydrophobicContact CD1-CD1 4.11Å; L45-F49 HydrophobicContact CD1-CD2 4.46Å; L45-F49 HydrophobicContact CD1-CE1 3.72Å; L45-F49 HydrophobicContact CD1-CE2 4.07Å; L45-F49 HydrophobicContact CD1-CG 4.46Å; L45-F49 HydrophobicContact CD1-CZ 3.68Å; P46-F49 HydrophobicContact CG-CB 3.77Å; P46-F49 WeakPolarHBondContact O-CD1 2.89Å; E47-F49 PolarHBondContact O-N 3.5Å; F49-T71 HydrophobicContact CE2-CG2 4.19Å; F49-T71 HydrophobicContact CZ-CG2 3.86Å; F49-I75 HydrophobicContact CZ-CD1 4.43Å; F49-I75 HydrophobicContact CZ-CG1 4.43Å; F49-A88 WeakPolarHBondContact CE1-O 3.07Å; F49-V91 HydrophobicContact CD1-CG1 4.04Å; F49-V91 HydrophobicContact CE1-CG1 3.31Å; F49-V91 HydrophobicContact CZ-CG1 3.67Å |
| 50 | T | 88.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -29.1 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | Q21 N24 L25 Y48 T71 V91 | Q21-T50 WeakPolarHBondContact CA-O 3.4Å; N24-T50 PolarHBondContact ND2-O 3.28Å; L25-T50 HydrophobicContact CD2-CG2 3.89Å; Y48-T50 PolarHBondContact O-N 3.39Å; T50-T71 HydrophobicContact CG2-CG2 3.54Å; T50-V91 HydrophobicContact CG2-CG1 3.77Å |
| 51 | C | 87.1 | Confident | 86.4 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -89 | 138 | -169.9 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | A17 Y48 F55 Y61 P92 | A17-C51 VanDerWaalsContact CB-O 3.27Å; A17-C51 WeakPolarHBondContact CB-O 3.18Å; Y48-C51 HydrophobicContact CD1-CB 4.27Å; Y48-C51 VanDerWaalsContact CD1-SG 3.59Å; Y48-C51 PolarHBondContact O-N 2.93Å; C51-F55 HydrophobicContact CB-CB 4.36Å; C51-F55 HydrophobicContact CB-CD1 3.33Å; C51-F55 HydrophobicContact CB-CD2 4.17Å; C51-F55 HydrophobicContact CB-CE1 3.5Å; C51-F55 HydrophobicContact CB-CE2 4.31Å; C51-F55 HydrophobicContact CB-CG 3.69Å; C51-F55 HydrophobicContact CB-CZ 4.01Å; C51-Y61 HydrophobicContact CB-CD2 4.37Å; C51-Y61 HydrophobicContact CB-CG 4.43Å; C51-Y61 VanDerWaalsContact SG-CB 3.57Å; C51-P92 WeakPolarHBondContact SG-CG 3.33Å |
| 52 | P | 82.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 36.5 Ų | 36.5 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 146.6 | 168.2 | -21.2 | 32.8 | 0 | 0 | 0 | 111.6 | A17 G19 G54 F55 Y61 | A17-P52 CarbonylContact O-C 3.48Å; A17-P52 WeakPolarHBondContact O-CA 3.42Å; G19-P52 VanDerWaalsContact O-CB 3.32Å; G19-P52 WeakPolarHBondContact O-CB 3.38Å; G19-P52 WeakPolarHBondContact O-CG 3.31Å; P52-G54 PolarHBondContact O-N 2.76Å; P52-F55 WeakPolarHBondContact O-CB 3.36Å; P52-F55 WeakPolarHBondContact O-CD1 3.34Å; P52-F55 PolarHBondContact O-N 3.15Å; P52-F55 VanDerWaalsContact O-N 3.11Å; P52-Y61 HydrophobicContact CG-CE1 3.89Å |
| 53 | R | 72.8 | Confident | 86.4 | Confident | 157 Ų | 157 | 37.4 Ų | 37.4 | 59% | 0.592 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 127.1 | 177.1 | -168.9 | -180 | -172.9 | -160.9 | 3.5 | 110.2 | A17 L18 | A17-R53 WeakPolarHBondContact O-CB 3.48Å; A17-R53 PolarHBondContact O-N 3.45Å; L18-R53 HydrophobicContact CD2-CB 4.43Å |
| 54 | G | 73.6 | Confident | 86.4 | Confident | 55 Ų | 55 | 39 Ų | 39 | 57% | 0.567 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 16.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P52 N56 | P52-G54 PolarHBondContact O-N 2.76Å; G54-N56 PolarHBondContact O-ND2 3.48Å; G54-N56 PolarHBondContact O-OD1 3.17Å |
| 55 | F | 79.9 | Confident | 86.3 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 13% | 0.132 | 21% | 0.205 | C | C | . | . | trans | -56.6 | 139.4 | 164.3 | 81.7 | -76.2 | 0 | 0 | 0 | 110.1 | Y48 C51 P52 Y61 L129 | Y48-F55 AromaticContact CD1-CE1 3.81Å; Y48-F55 HydrophobicContact CD1-CE1 3.81Å; Y48-F55 HydrophobicContact CD1-CE2 4.16Å; Y48-F55 AromaticContact CD1-CZ 3.29Å; Y48-F55 HydrophobicContact CD1-CZ 3.29Å; Y48-F55 HydrophobicContact CD2-CE1 4.27Å; Y48-F55 HydrophobicContact CD2-CZ 4.01Å; Y48-F55 HydrophobicContact CE1-CE1 4.42Å; Y48-F55 HydrophobicContact CE1-CE2 4.1Å; Y48-F55 AromaticContact CE1-CZ 3.5Å; Y48-F55 HydrophobicContact CE1-CZ 3.5Å; Y48-F55 VanDerWaalsContact CE1-CZ 3.5Å; Y48-F55 HydrophobicContact CE2-CZ 4.23Å; Y48-F55 AromaticContact CG-CE1 3.71Å; Y48-F55 HydrophobicContact CG-CE1 3.71Å; Y48-F55 AromaticContact CG-CZ 3.56Å; Y48-F55 HydrophobicContact CG-CZ 3.56Å; Y48-F55 AromaticContact CZ-CZ 3.96Å; C51-F55 HydrophobicContact CB-CB 4.36Å; C51-F55 HydrophobicContact CB-CD1 3.33Å; C51-F55 HydrophobicContact CB-CD2 4.17Å; C51-F55 HydrophobicContact CB-CE1 3.5Å; C51-F55 HydrophobicContact CB-CE2 4.31Å; C51-F55 HydrophobicContact CB-CG 3.69Å; C51-F55 HydrophobicContact CB-CZ 4.01Å; P52-F55 WeakPolarHBondContact O-CB 3.36Å; P52-F55 WeakPolarHBondContact O-CD1 3.34Å; P52-F55 PolarHBondContact O-N 3.15Å; P52-F55 VanDerWaalsContact O-N 3.11Å; F55-Y61 HydrophobicContact CB-CD2 4.23Å; F55-Y61 HydrophobicContact CB-CE2 3.69Å; F55-Y61 HydrophobicContact CD2-CD2 4.07Å; F55-Y61 HydrophobicContact CD2-CE2 4.35Å; F55-Y61 HydrophobicContact CG-CD2 4.37Å; F55-Y61 HydrophobicContact CG-CE2 4.32Å; F55-L129 HydrophobicContact CE1-CD1 4.41Å; F55-L129 HydrophobicContact CE2-CD1 3.51Å; F55-L129 HydrophobicContact CE2-CD2 4.4Å; F55-L129 HydrophobicContact CZ-CD1 3.4Å | ||
| 56 | N | 81.2 | Confident | 86.1 | Confident | 116 Ų | 116 | 46.1 Ų | 46.1 | 62% | 0.62 | 23% | 0.234 | S | C | * | . | trans | -119.2 | -5.7 | -172.7 | -61.8 | -48.6 | 0 | 0 | 0 | 112.9 | G54 P130 | G54-N56 PolarHBondContact O-ND2 3.48Å; G54-N56 PolarHBondContact O-OD1 3.17Å; N56-P130 WeakPolarHBondContact O-CB 3.48Å; N56-P130 WeakPolarHBondContact O-CD 3.09Å; N56-P130 WeakPolarHBondContact O-CG 3.14Å | ||
| 57 | D | 85.4 | Confident | 85.9 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 13% | 0.128 | 26% | 0.255 | C | S | . | . | trans | -134.2 | 119.7 | 175.7 | -167.4 | -17.3 | 0 | 0 | 0 | 109.2 | R59 E60 N131 | D57-R59 PolarHBondContact O-N 2.86Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 VanDerWaalsContact OD1-CG 3.23Å; D57-R59 WeakPolarHBondContact OD1-CG 3.35Å; D57-R59 PolarHBondContact OD1-N 2.89Å; D57-R59 IonicContact OD1-NE 3.75Å; D57-R59 PolarHBondContact OD1-NE 3.31Å; D57-R59 VanDerWaalsContact OD1-NE 3.16Å; D57-R59 IonicContact OD2-CZ 2.82Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 2.95Å; D57-R59 PolarHBondContact OD2-NE 3.3Å; D57-R59 IonicContact OD2-NH2 3.22Å; D57-R59 PolarHBondContact OD2-NH2 3.07Å; D57-E60 HydrophobicContact CB-CG 4.2Å; D57-E60 PolarHBondContact O-N 3.11Å; D57-N131 VanDerWaalsContact CG-ND2 3.28Å; D57-N131 PolarHBondContact OD1-ND2 3.42Å; D57-N131 PolarHBondContact OD2-ND2 3.2Å; D57-N131 VanDerWaalsContact OD2-ND2 3.12Å | ||
| 58 | I | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -63 | -28.3 | -179 | -166.7 | 166.9 | 0 | 0 | 0 | 111.7 | Y48 E60 Y61 A62 P92 Y99 N131 E132 | Y48-I58 WeakPolarHBondContact OH-CD1 3.32Å; I58-E60 PolarHBondContact O-N 2.9Å; I58-Y61 PolarHBondContact O-N 2.88Å; I58-A62 PolarHBondContact O-N 2.84Å; I58-P92 HydrophobicContact CD1-CB 4.37Å; I58-P92 HydrophobicContact CG1-CB 3.62Å; I58-P92 HydrophobicContact CG1-CG 4.01Å; I58-Y99 HydrophobicContact CG2-CG 4.16Å; I58-N131 HydrophobicContact CG2-CB 4.29Å; I58-E132 HydrophobicContact CD1-CB 4.18Å; I58-E132 HydrophobicContact CD1-CG 4.03Å; I58-E132 HydrophobicContact CG2-CB 4.36Å |
| 59 | R | 89.8 | Confident | 86.1 | Confident | 120 Ų | 120 | 50.7 Ų | 50.7 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.8 | -176.4 | -58.3 | -176.9 | -68.3 | -179.1 | -2.2 | 113 | D57 Y61 Y99 N131 | D57-R59 PolarHBondContact O-N 2.86Å; D57-R59 WeakPolarHBondContact OD1-CB 3.42Å; D57-R59 VanDerWaalsContact OD1-CG 3.23Å; D57-R59 WeakPolarHBondContact OD1-CG 3.35Å; D57-R59 PolarHBondContact OD1-N 2.89Å; D57-R59 IonicContact OD1-NE 3.75Å; D57-R59 PolarHBondContact OD1-NE 3.31Å; D57-R59 VanDerWaalsContact OD1-NE 3.16Å; D57-R59 IonicContact OD2-CZ 2.82Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 2.95Å; D57-R59 PolarHBondContact OD2-NE 3.3Å; D57-R59 IonicContact OD2-NH2 3.22Å; D57-R59 PolarHBondContact OD2-NH2 3.07Å; R59-Y61 PolarHBondContact O-N 2.97Å; R59-Y99 HydrophobicContact CB-CD1 4.34Å; R59-Y99 HydrophobicContact CB-CE1 3.92Å; R59-Y99 HydrophobicContact CG-CD1 3.84Å; R59-Y99 HydrophobicContact CG-CD2 3.82Å; R59-Y99 HydrophobicContact CG-CE1 3.58Å; R59-Y99 HydrophobicContact CG-CE2 3.6Å; R59-Y99 HydrophobicContact CG-CG 3.95Å; R59-Y99 VanDerWaalsContact CG-CZ 3.46Å; R59-N131 HydrophobicContact CG-CB 3.81Å; R59-N131 PolarHBondContact NE-ND2 3.04Å; R59-N131 PolarHBondContact NH2-ND2 3.24Å |
| 60 | E | 88.9 | Confident | 86.3 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -62 | -27.3 | -178.6 | -71.5 | 178.3 | -163.8 | 0 | 0 | 112.9 | D57 I58 | D57-E60 HydrophobicContact CB-CG 4.2Å; D57-E60 PolarHBondContact O-N 3.11Å; I58-E60 PolarHBondContact O-N 2.9Å |
| 61 | Y | 90.4 | Very high | 86.5 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -123.7 | 6 | -172 | -57.4 | -79.2 | 0 | 0 | 0 | 112.3 | Q21 C51 P52 F55 I58 R59 P92 | Q21-Y61 HydrophobicContact CB-CD1 4.36Å; C51-Y61 HydrophobicContact CB-CD2 4.37Å; C51-Y61 HydrophobicContact CB-CG 4.43Å; C51-Y61 VanDerWaalsContact SG-CB 3.57Å; P52-Y61 HydrophobicContact CG-CE1 3.89Å; F55-Y61 HydrophobicContact CB-CD2 4.23Å; F55-Y61 HydrophobicContact CB-CE2 3.69Å; F55-Y61 HydrophobicContact CD2-CD2 4.07Å; F55-Y61 HydrophobicContact CD2-CE2 4.35Å; F55-Y61 HydrophobicContact CG-CD2 4.37Å; F55-Y61 HydrophobicContact CG-CE2 4.32Å; I58-Y61 PolarHBondContact O-N 2.88Å; R59-Y61 PolarHBondContact O-N 2.97Å; Y61-P92 WeakPolarHBondContact O-CB 3.38Å |
| 62 | A | 92.4 | Very high | 86.8 | Confident | 20 Ų | 20 | 57.6 Ų | 57.6 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | trans | -73.4 | 126.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I58 P92 M94 Y99 | I58-A62 PolarHBondContact O-N 2.84Å; A62-P92 VanDerWaalsContact CA-CB 3.47Å; A62-P92 WeakPolarHBondContact CA-O 3.37Å; A62-P92 HydrophobicContact CB-CB 3.93Å; A62-M94 HydrophobicContact CB-CB 3.98Å; A62-Y99 HydrophobicContact CB-CD1 3.56Å; A62-Y99 HydrophobicContact CB-CE1 3.95Å | ||
| 63 | E | 93.1 | Very high | 87.3 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -117.8 | 144.3 | 177 | -69.9 | -178.9 | -158 | 0 | 0 | 110.1 | Q21 G69 R70 T71 F72 P92 E93 M94 | Q21-E63 PolarHBondContact NE2-OE1 2.83Å; E63-G69 WeakPolarHBondContact OE2-CA 3.47Å; E63-R70 PolarHBondContact OE2-N 2.8Å; E63-R70 VanDerWaalsContact OE2-N 3.1Å; E63-T71 VanDerWaalsContact CD-OG1 3.3Å; E63-T71 PolarHBondContact OE1-N 3.27Å; E63-T71 PolarHBondContact OE1-OG1 3.28Å; E63-T71 WeakPolarHBondContact OE2-CB 3.32Å; E63-T71 PolarHBondContact OE2-N 2.97Å; E63-T71 PolarHBondContact OE2-OG1 2.99Å; E63-F72 HydrophobicContact CB-CD2 4.15Å; E63-F72 HydrophobicContact CB-CE2 3.48Å; E63-F72 VanDerWaalsContact CB-CE2 3.48Å; E63-F72 HydrophobicContact CB-CZ 4.36Å; E63-P92 PolarHBondContact N-O 2.81Å; E63-E93 WeakPolarHBondContact O-CA 3.29Å; E63-M94 PolarHBondContact O-N 2.84Å |
| 64 | P | 93 | Very high | 88.4 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 21% | 0.214 | 30% | 0.302 | C | S | . | . | trans | -71 | 146.8 | 170.9 | 31.3 | -35.6 | 0 | 0 | 0 | 111.5 | D66 S68 F72 | P64-D66 WeakPolarHBondContact CG-OD1 3.48Å; P64-D66 PolarHBondContact O-N 2.77Å; P64-D66 VanDerWaalsContact O-N 3.17Å; P64-S68 WeakPolarHBondContact CG-OG 3.2Å; P64-F72 WeakPolarHBondContact O-CD2 3.33Å; P64-F72 WeakPolarHBondContact O-CE2 3.4Å | ||
| 65 | L | 89.4 | Confident | 89.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 36.9 | 176.1 | -55.9 | -167.8 | 0 | 0 | 0 | 113.1 | F72 E93 T102 L112 K115 | L65-F72 HydrophobicContact CD2-CD1 4.06Å; L65-F72 HydrophobicContact CD2-CD2 4.06Å; L65-F72 HydrophobicContact CD2-CE1 3.35Å; L65-F72 HydrophobicContact CD2-CE2 3.35Å; L65-F72 HydrophobicContact CD2-CG 4.38Å; L65-F72 HydrophobicContact CD2-CZ 2.97Å; L65-F72 HydrophobicContact CG-CZ 4.44Å; L65-E93 VanDerWaalsContact CD1-CD 3.42Å; L65-E93 HydrophobicContact CD1-CG 4.1Å; L65-E93 WeakPolarHBondContact CD1-OE1 3.48Å; L65-E93 HydrophobicContact CD2-CB 4.41Å; L65-E93 HydrophobicContact CD2-CG 4.3Å; L65-E93 HydrophobicContact CG-CB 4.42Å; L65-E93 HydrophobicContact CG-CG 3.81Å; L65-E93 WeakPolarHBondContact CG-OE1 3.2Å; L65-T102 HydrophobicContact CD1-CG2 4.2Å; L65-L112 HydrophobicContact CB-CD2 4.25Å; L65-L112 HydrophobicContact CD1-CD2 4.47Å; L65-K115 HydrophobicContact CD1-CB 4.36Å; L65-K115 HydrophobicContact CD1-CD 3.4Å |
| 66 | D | 87.7 | Confident | 90.3 | Very high | 115 Ų | 115 | 52 Ų | 52 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 6.1 | 178.9 | 63.6 | 5.5 | 0 | 0 | 0 | 112.8 | P64 S68 | P64-D66 WeakPolarHBondContact CG-OD1 3.48Å; P64-D66 PolarHBondContact O-N 2.77Å; P64-D66 VanDerWaalsContact O-N 3.17Å; D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.12Å; D66-S68 WeakPolarHBondContact OD1-CB 3.35Å; D66-S68 PolarHBondContact OD1-N 3.23Å; D66-S68 PolarHBondContact OD1-OG 2.96Å |
| 67 | G | 83 | Confident | 91 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 47% | 0.474 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -1.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G69 | G67-G69 VanDerWaalsContact C-N 3.3Š|
| 68 | S | 86.7 | Confident | 91.6 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 61% | 0.608 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -19.8 | 174.9 | 70 | 0 | 0 | 0 | 0 | 113.2 | P64 D66 | P64-S68 WeakPolarHBondContact CG-OG 3.2Å; D66-S68 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.12Å; D66-S68 WeakPolarHBondContact OD1-CB 3.35Å; D66-S68 PolarHBondContact OD1-N 3.23Å; D66-S68 PolarHBondContact OD1-OG 2.96Å |
| 69 | G | 88.7 | Confident | 92.2 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70.8 | 136.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E63 G67 T71 F72 S73 | E63-G69 WeakPolarHBondContact OE2-CA 3.47Å; G67-G69 VanDerWaalsContact C-N 3.3Å; G69-T71 VanDerWaalsContact C-N 3.25Å; G69-T71 PolarHBondContact O-N 3.11Å; G69-F72 PolarHBondContact O-N 2.84Å; G69-S73 WeakPolarHBondContact O-CB 3.28Å; G69-S73 PolarHBondContact O-N 2.9Å |
| 70 | R | 91.3 | Very high | 92.6 | Very high | 138 Ų | 138 | 49.3 Ų | 49.3 | 52% | 0.521 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 178.9 | -63.6 | -174.8 | -62.7 | 158.5 | 8.5 | 111.6 | D22 E63 L74 | D22-R70 IonicContact OD1-CZ 3.68Å; D22-R70 IonicContact OD1-NH1 2.74Å; D22-R70 PolarHBondContact OD1-NH1 3.4Å; D22-R70 IonicContact OD1-NH2 3.45Å; D22-R70 PolarHBondContact OD1-NH2 3.35Å; D22-R70 IonicContact OD2-NH1 2.7Å; E63-R70 PolarHBondContact OE2-N 2.8Å; E63-R70 VanDerWaalsContact OE2-N 3.1Å; R70-L74 VanDerWaalsContact O-CB 3.3Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 PolarHBondContact O-N 3.35Å; R70-L74 VanDerWaalsContact O-N 3.08Å |
| 71 | T | 93.2 | Very high | 93 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -51.1 | 179.3 | -59.2 | 0 | 0 | 0 | 0 | 110.4 | Q21 L25 F49 T50 E63 G69 L74 I75 V91 | Q21-T71 PolarHBondContact NE2-OG1 3.39Å; L25-T71 HydrophobicContact CD2-CG2 3.96Å; F49-T71 HydrophobicContact CE2-CG2 4.19Å; F49-T71 HydrophobicContact CZ-CG2 3.86Å; T50-T71 HydrophobicContact CG2-CG2 3.54Å; E63-T71 VanDerWaalsContact CD-OG1 3.3Å; E63-T71 PolarHBondContact OE1-N 3.27Å; E63-T71 PolarHBondContact OE1-OG1 3.28Å; E63-T71 WeakPolarHBondContact OE2-CB 3.32Å; E63-T71 PolarHBondContact OE2-N 2.97Å; E63-T71 PolarHBondContact OE2-OG1 2.99Å; G69-T71 VanDerWaalsContact C-N 3.25Å; G69-T71 PolarHBondContact O-N 3.11Å; T71-L74 PolarHBondContact O-N 2.94Å; T71-I75 WeakPolarHBondContact O-CG1 3.24Å; T71-I75 PolarHBondContact O-N 3.42Å; T71-V91 HydrophobicContact CG2-CG1 4.11Å |
| 72 | F | 92.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -39.5 | -176.6 | -55.4 | -60.9 | 0 | 0 | 0 | 112.5 | E63 P64 L65 G69 L74 I75 S76 V91 C104 F106 | E63-F72 HydrophobicContact CB-CD2 4.15Å; E63-F72 HydrophobicContact CB-CE2 3.48Å; E63-F72 VanDerWaalsContact CB-CE2 3.48Å; E63-F72 HydrophobicContact CB-CZ 4.36Å; P64-F72 WeakPolarHBondContact O-CD2 3.33Å; P64-F72 WeakPolarHBondContact O-CE2 3.4Å; L65-F72 HydrophobicContact CD2-CD1 4.06Å; L65-F72 HydrophobicContact CD2-CD2 4.06Å; L65-F72 HydrophobicContact CD2-CE1 3.35Å; L65-F72 HydrophobicContact CD2-CE2 3.35Å; L65-F72 HydrophobicContact CD2-CG 4.38Å; L65-F72 HydrophobicContact CD2-CZ 2.97Å; L65-F72 HydrophobicContact CG-CZ 4.44Å; G69-F72 PolarHBondContact O-N 2.84Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.27Å; F72-I75 PolarHBondContact O-N 3.09Å; F72-S76 WeakPolarHBondContact O-CB 3.32Å; F72-S76 PolarHBondContact O-N 3.25Å; F72-V91 HydrophobicContact CE1-CG2 3.51Å; F72-V91 HydrophobicContact CZ-CG2 3.46Å; F72-V91 VanDerWaalsContact CZ-CG2 3.46Å; F72-C104 HydrophobicContact CE1-CB 4.49Å; F72-F106 HydrophobicContact CB-CZ 4.4Å; F72-F106 HydrophobicContact CD1-CZ 4.11Å |
| 73 | S | 93.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 174.7 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | G69 S77 | G69-S73 WeakPolarHBondContact O-CB 3.28Å; G69-S73 PolarHBondContact O-N 2.9Å; S73-S77 WeakPolarHBondContact O-CB 3.34Å; S73-S77 PolarHBondContact O-N 3.2Å; S73-S77 PolarHBondContact O-OG 3.49Å |
| 74 | L | 95.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 175.4 | 176.4 | 63.6 | 0 | 0 | 0 | 111.8 | L25 A29 R70 T71 F72 S76 S77 L78 | L25-L74 HydrophobicContact CB-CD2 3.93Å; L25-L74 HydrophobicContact CD2-CD2 4.15Å; A29-L74 HydrophobicContact CB-CD1 4.29Å; A29-L74 HydrophobicContact CB-CD2 4.33Å; R70-L74 VanDerWaalsContact O-CB 3.3Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 PolarHBondContact O-N 3.35Å; R70-L74 VanDerWaalsContact O-N 3.08Å; T71-L74 PolarHBondContact O-N 2.94Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.27Å; L74-S76 PolarHBondContact O-N 3Å; L74-S77 PolarHBondContact O-N 2.58Å; L74-L78 HydrophobicContact CD1-CD1 3.94Å; L74-L78 HydrophobicContact CD1-CG 4.23Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 2.9Å |
| 75 | I | 96.3 | Very high | 94 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | -178.4 | -64.1 | -55.8 | 0 | 0 | 0 | 111.4 | V28 I32 L45 F49 T71 F72 S77 L78 A79 I86 A88 F106 | V28-I75 HydrophobicContact CG1-CD1 4.32Å; I32-I75 HydrophobicContact CD1-CD1 3.69Å; L45-I75 HydrophobicContact CD1-CD1 3.73Å; F49-I75 HydrophobicContact CZ-CD1 4.43Å; F49-I75 HydrophobicContact CZ-CG1 4.43Å; T71-I75 WeakPolarHBondContact O-CG1 3.24Å; T71-I75 PolarHBondContact O-N 3.42Å; F72-I75 PolarHBondContact O-N 3.09Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.1Å; I75-L78 PolarHBondContact O-N 3.42Å; I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 3.3Å; I75-I86 HydrophobicContact CG2-CB 4.19Å; I75-I86 HydrophobicContact CG2-CD1 4.13Å; I75-I86 HydrophobicContact CG2-CG2 3.89Å; I75-A88 HydrophobicContact CG2-CB 4.09Å; I75-F106 HydrophobicContact CB-CD2 4.48Å; I75-F106 HydrophobicContact CB-CE2 4.24Å; I75-F106 HydrophobicContact CB-CZ 4.48Å; I75-F106 HydrophobicContact CG2-CB 4.5Å; I75-F106 HydrophobicContact CG2-CD1 4.47Å; I75-F106 HydrophobicContact CG2-CD2 3.43Å; I75-F106 VanDerWaalsContact CG2-CD2 3.43Å; I75-F106 HydrophobicContact CG2-CE2 3.62Å; I75-F106 HydrophobicContact CG2-CG 3.89Å; I75-F106 HydrophobicContact CG2-CZ 4.23Å |
| 76 | S | 96.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56.5 | -48.4 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | F72 L74 L78 A79 Q80 G110 | F72-S76 WeakPolarHBondContact O-CB 3.32Å; F72-S76 PolarHBondContact O-N 3.25Å; L74-S76 PolarHBondContact O-N 3Å; S76-L78 PolarHBondContact O-N 2.95Å; S76-A79 PolarHBondContact O-N 2.88Å; S76-Q80 WeakPolarHBondContact O-CB 3.45Å; S76-Q80 PolarHBondContact O-N 3.02Å; S76-G110 WeakPolarHBondContact CB-O 3.21Å; S76-G110 VanDerWaalsContact O-CA 3.29Å; S76-G110 WeakPolarHBondContact O-CA 3.33Å; S76-G110 PolarHBondContact OG-O 3.37Å |
| 77 | S | 97.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | S73 L74 I75 S81 | S73-S77 WeakPolarHBondContact O-CB 3.34Å; S73-S77 PolarHBondContact O-N 3.2Å; S73-S77 PolarHBondContact O-OG 3.49Å; L74-S77 PolarHBondContact O-N 2.58Å; I75-S77 VanDerWaalsContact C-N 3.35Å; I75-S77 PolarHBondContact O-N 3.1Å; S77-S81 VanDerWaalsContact O-CB 3.24Å; S77-S81 WeakPolarHBondContact O-CB 3.05Å; S77-S81 PolarHBondContact O-N 3.35Å; S77-S81 PolarHBondContact O-OG 3.35Å |
| 78 | L | 98 | Very high | 95.1 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -46.4 | 176.8 | -73.2 | 169.1 | 0 | 0 | 0 | 111.6 | A29 I32 V33 L74 I75 S76 Q80 S81 L82 I86 | A29-L78 HydrophobicContact CB-CD1 3.87Å; I32-L78 HydrophobicContact CB-CD1 4.39Å; I32-L78 HydrophobicContact CD1-CD1 3.73Å; I32-L78 HydrophobicContact CG2-CB 4.24Å; I32-L78 HydrophobicContact CG2-CD1 4.4Å; V33-L78 HydrophobicContact CG2-CD2 3.96Å; L74-L78 HydrophobicContact CD1-CD1 3.94Å; L74-L78 HydrophobicContact CD1-CG 4.23Å; L74-L78 HydrophobicContact CG-CD1 3.95Å; L74-L78 WeakPolarHBondContact O-CG 3.37Å; L74-L78 PolarHBondContact O-N 2.9Å; I75-L78 PolarHBondContact O-N 3.42Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 3.36Å; L78-S81 PolarHBondContact O-N 3.46Å; L78-S81 PolarHBondContact O-OG 2.92Å; L78-L82 HydrophobicContact CD2-CD1 4.34Å; L78-L82 VanDerWaalsContact O-CB 3.29Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 2.88Å; L78-I86 HydrophobicContact CB-CD1 4.22Å |
| 79 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I75 S76 G83 I84 I86 F106 | I75-A79 WeakPolarHBondContact O-CB 3.41Å; I75-A79 PolarHBondContact O-N 3.3Å; S76-A79 PolarHBondContact O-N 2.88Å; A79-G83 VanDerWaalsContact O-CA 3.29Å; A79-G83 WeakPolarHBondContact O-CA 3.2Å; A79-G83 PolarHBondContact O-N 2.96Å; A79-I84 PolarHBondContact O-N 3.44Å; A79-I84 VanDerWaalsContact O-N 3.08Å; A79-I86 HydrophobicContact CB-CD1 3.75Å; A79-I86 HydrophobicContact CB-CG1 3.94Å; A79-F106 HydrophobicContact CB-CB 4.06Å |
| 80 | Q | 98.1 | Very high | 95 | Very high | 124 Ų | 124 | 34.1 Ų | 34.1 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.9 | -51.3 | 177.3 | -175 | 176.7 | 75.2 | 0 | 0 | 112.7 | S76 L78 L82 G83 R108 N109 | S76-Q80 WeakPolarHBondContact O-CB 3.45Å; S76-Q80 PolarHBondContact O-N 3.02Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 3.36Å; Q80-L82 PolarHBondContact O-N 3.21Å; Q80-G83 PolarHBondContact O-N 3.43Å; Q80-R108 WeakPolarHBondContact CA-O 3.27Å; Q80-N109 WeakPolarHBondContact CB-O 3.39Å; Q80-N109 WeakPolarHBondContact CG-O 3.35Å; Q80-N109 PolarHBondContact NE2-O 3.45Å |
| 81 | S | 98 | Very high | 94.9 | Very high | 91 Ų | 91 | 27.8 Ų | 27.8 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -69.1 | -33.9 | -173.5 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | S77 L78 | S77-S81 VanDerWaalsContact O-CB 3.24Å; S77-S81 WeakPolarHBondContact O-CB 3.05Å; S77-S81 PolarHBondContact O-N 3.35Å; S77-S81 PolarHBondContact O-OG 3.35Å; L78-S81 PolarHBondContact O-N 3.46Å; L78-S81 PolarHBondContact O-OG 2.92Å |
| 82 | L | 98 | Very high | 94.8 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 30% | 0.298 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -90 | -12.2 | 177.5 | -59.2 | 169.4 | 0 | 0 | 0 | 111.9 | I32 V33 A36 L78 Q80 I84 | I32-L82 HydrophobicContact CG2-CD1 3.73Å; V33-L82 HydrophobicContact CG2-CD1 4.12Å; A36-L82 HydrophobicContact CB-CB 4.05Å; A36-L82 HydrophobicContact CB-CD1 3.87Å; A36-L82 HydrophobicContact CB-CD2 4.01Å; A36-L82 HydrophobicContact CB-CG 4.2Å; L78-L82 HydrophobicContact CD2-CD1 4.34Å; L78-L82 VanDerWaalsContact O-CB 3.29Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.3Å; L78-L82 PolarHBondContact O-N 2.88Å; Q80-L82 PolarHBondContact O-N 3.21Å; L82-I84 HydrophobicContact CB-CD1 4.16Å; L82-I84 HydrophobicContact CB-CG1 4Å; L82-I84 HydrophobicContact CB-CG2 4.32Å; L82-I84 HydrophobicContact CD1-CD1 4.12Å |
| 83 | G | 97.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 42.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A79 Q80 R108 | A79-G83 VanDerWaalsContact O-CA 3.29Å; A79-G83 WeakPolarHBondContact O-CA 3.2Å; A79-G83 PolarHBondContact O-N 2.96Å; Q80-G83 PolarHBondContact O-N 3.43Å; G83-R108 WeakPolarHBondContact O-CD 3.36Å; G83-R108 WeakPolarHBondContact O-CG 3.41Å; G83-R108 PolarHBondContact O-NH1 3.45Å |
| 84 | I | 97.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -121.8 | 161.4 | -176.4 | 60.4 | 173.4 | 0 | 0 | 0 | 111.5 | I32 A36 A40 V43 A79 L82 I86 R108 | I32-I84 HydrophobicContact CG2-CD1 3.9Å; A36-I84 HydrophobicContact CB-CD1 4.31Å; A36-I84 HydrophobicContact CB-CG2 4.39Å; A40-I84 VanDerWaalsContact O-CG2 3.23Å; A40-I84 WeakPolarHBondContact O-CG2 3.09Å; V43-I84 HydrophobicContact CB-CD1 4.25Å; V43-I84 HydrophobicContact CG2-CD1 3.67Å; A79-I84 PolarHBondContact O-N 3.44Å; A79-I84 VanDerWaalsContact O-N 3.08Å; L82-I84 HydrophobicContact CB-CD1 4.16Å; L82-I84 HydrophobicContact CB-CG1 4Å; L82-I84 HydrophobicContact CB-CG2 4.32Å; L82-I84 HydrophobicContact CD1-CD1 4.12Å; I84-I86 HydrophobicContact CD1-CD1 4.21Å; I84-I86 HydrophobicContact CD1-CG1 4.04Å; I84-I86 HydrophobicContact CG1-CD1 4.39Å; I84-I86 HydrophobicContact CG1-CG1 4.05Å; I84-R108 WeakPolarHBondContact O-CA 3.35Å | ||
| 85 | Y | 96.4 | Very high | 94.7 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 12% | 0.118 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.4 | 166.1 | -67.5 | -83.1 | 0 | 0 | 0 | 110.4 | N41 V42 V43 F106 N107 R108 F145 T147 E148 F149 | N41-Y85 PolarHBondContact O-N 3.01Å; V42-Y85 CarbonylContact C-O 3.6Å; V42-Y85 WeakPolarHBondContact CA-O 3.39Å; V42-Y85 HydrophobicContact CG2-CD2 4.46Å; V43-Y85 PolarHBondContact N-O 2.68Å; Y85-F106 WeakPolarHBondContact CA-O 3.41Å; Y85-N107 HydrophobicContact CD1-CB 4.3Å; Y85-N107 HydrophobicContact CE1-CB 3.98Å; Y85-R108 HydrophobicContact CD2-CG 3.98Å; Y85-R108 HydrophobicContact CE1-CG 4.44Å; Y85-R108 HydrophobicContact CE2-CG 3.68Å; Y85-R108 VanDerWaalsContact CE2-NE 3.29Å; Y85-R108 HydrophobicContact CG-CG 4.44Å; Y85-F145 HydrophobicContact CD1-CE1 4.18Å; Y85-F145 AromaticContact CD1-CE2 3.82Å; Y85-F145 HydrophobicContact CD1-CE2 3.82Å; Y85-F145 AromaticContact CD1-CZ 3.39Å; Y85-F145 HydrophobicContact CD1-CZ 3.39Å; Y85-F145 HydrophobicContact CE1-CE2 4.32Å; Y85-F145 HydrophobicContact CE1-CZ 4.31Å; Y85-F145 HydrophobicContact CG-CE1 4.45Å; Y85-F145 HydrophobicContact CG-CZ 4.04Å; Y85-T147 HydrophobicContact CD1-CG2 3.97Å; Y85-T147 HydrophobicContact CD2-CG2 3.97Å; Y85-T147 HydrophobicContact CE1-CG2 4.02Å; Y85-T147 HydrophobicContact CE2-CG2 4.05Å; Y85-T147 HydrophobicContact CG-CG2 3.94Å; Y85-E148 WeakPolarHBondContact CE2-OE2 3.11Å; Y85-E148 VanDerWaalsContact CZ-OE2 3.28Å; Y85-E148 PolarHBondContact OH-OE2 3.09Å; Y85-F149 HydrophobicContact CD2-CE2 4.47Å; Y85-F149 HydrophobicContact CE2-CE2 4.41Å |
| 86 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.3 | 174.3 | -54.5 | -176.8 | 0 | 0 | 0 | 109.8 | I32 V43 L45 I75 L78 A79 I84 A88 F106 | I32-I86 HydrophobicContact CD1-CD1 4.37Å; I32-I86 HydrophobicContact CG2-CD1 3.95Å; V43-I86 CarbonylContact O-C 3.55Å; V43-I86 WeakPolarHBondContact O-CA 3.44Å; L45-I86 HydrophobicContact CD1-CG2 4.34Å; L45-I86 HydrophobicContact CG-CG2 4.3Å; I75-I86 HydrophobicContact CG2-CB 4.19Å; I75-I86 HydrophobicContact CG2-CD1 4.13Å; I75-I86 HydrophobicContact CG2-CG2 3.89Å; L78-I86 HydrophobicContact CB-CD1 4.22Å; A79-I86 HydrophobicContact CB-CD1 3.75Å; A79-I86 HydrophobicContact CB-CG1 3.94Å; I84-I86 HydrophobicContact CD1-CD1 4.21Å; I84-I86 HydrophobicContact CD1-CG1 4.04Å; I84-I86 HydrophobicContact CG1-CD1 4.39Å; I84-I86 HydrophobicContact CG1-CG1 4.05Å; I86-A88 HydrophobicContact CG2-CB 4.3Å; I86-F106 HydrophobicContact CB-CB 4.33Å; I86-F106 PolarHBondContact N-O 3.32Å; I86-F106 PolarHBondContact O-N 3.39Å |
| 87 | I | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 98.6 | 163.7 | -53.6 | -179.1 | 0 | 0 | 0 | 105.9 | V42 V43 V44 L45 G89 C103 L105 F145 I152 I154 I179 C181 | V42-I87 HydrophobicContact CG1-CD1 4.17Å; V42-I87 HydrophobicContact CG1-CG1 4.2Å; V43-I87 PolarHBondContact O-N 3.43Å; V44-I87 HydrophobicContact CG1-CB 4.37Å; V44-I87 HydrophobicContact CG2-CB 4.39Å; V44-I87 HydrophobicContact CG2-CD1 4.18Å; L45-I87 PolarHBondContact N-O 3.33Å; I87-G89 PolarHBondContact O-N 2.88Å; I87-C103 VanDerWaalsContact CG2-SG 3.56Å; I87-L105 HydrophobicContact CB-CD2 4.38Å; I87-L105 HydrophobicContact CG1-CD2 4.19Å; I87-L105 HydrophobicContact CG2-CD2 3.91Å; I87-F145 HydrophobicContact CD1-CD1 4.11Å; I87-F145 HydrophobicContact CD1-CE1 4.42Å; I87-F145 HydrophobicContact CG1-CD1 3.82Å; I87-F145 HydrophobicContact CG1-CE1 3.73Å; I87-I152 HydrophobicContact CD1-CG2 3.97Å; I87-I154 HydrophobicContact CD1-CD1 4.16Å; I87-I154 HydrophobicContact CG2-CD1 4.24Å; I87-I179 HydrophobicContact CD1-CB 4.27Å; I87-I179 HydrophobicContact CD1-CD1 4.5Å; I87-I179 HydrophobicContact CD1-CG2 4.06Å; I87-C181 WeakPolarHBondContact CG2-SG 3.28Å |
| 88 | A | 92.3 | Very high | 94 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | trans | -80.2 | 50 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L45 F49 I75 I86 T90 C104 F106 | L45-A88 HydrophobicContact CD1-CB 4.29Å; F49-A88 WeakPolarHBondContact CE1-O 3.07Å; I75-A88 HydrophobicContact CG2-CB 4.09Å; I86-A88 HydrophobicContact CG2-CB 4.3Å; A88-T90 PolarHBondContact O-N 2.98Å; A88-C104 HydrophobicContact CB-CB 4.26Å; A88-C104 WeakPolarHBondContact CB-O 3.07Å; A88-C104 PolarHBondContact N-O 3.45Å; A88-F106 HydrophobicContact CB-CD2 4.1Å; A88-F106 HydrophobicContact CB-CE2 4.02Å | ||
| 89 | G | 85.7 | Confident | 93.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | 48.9 | -133.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | L45 P46 I87 C103 | L45-G89 WeakPolarHBondContact O-CA 3.45Å; P46-G89 VanDerWaalsContact O-CA 3.3Å; P46-G89 WeakPolarHBondContact O-CA 3.46Å; I87-G89 PolarHBondContact O-N 2.88Å; G89-C103 WeakPolarHBondContact O-CA 3.3Å; G89-C103 WeakPolarHBondContact O-CB 3.45Å; G89-C103 PolarHBondContact O-SG 3.04Å | ||
| 90 | T | 88.4 | Confident | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -131.1 | 152.5 | 159.4 | 77.4 | 0 | 0 | 0 | 0 | 112.4 | P46 E47 Y48 A88 N101 T102 C103 T156 | P46-T90 PolarHBondContact O-N 2.93Å; E47-T90 WeakPolarHBondContact CA-OG1 3.16Å; E47-T90 HydrophobicContact CG-CG2 3.84Å; E47-T90 WeakPolarHBondContact CG-OG1 3.38Å; Y48-T90 VanDerWaalsContact CA-O 3.31Å; Y48-T90 WeakPolarHBondContact CA-O 3.4Å; Y48-T90 PolarHBondContact N-O 2.91Å; Y48-T90 PolarHBondContact N-OG1 3.4Å; Y48-T90 VanDerWaalsContact N-OG1 3.16Å; A88-T90 PolarHBondContact O-N 2.98Å; T90-N101 WeakPolarHBondContact CB-OD1 3.35Å; T90-N101 WeakPolarHBondContact CG2-OD1 3.34Å; T90-N101 PolarHBondContact OG1-OD1 2.57Å; T90-T102 CarbonylContact C-O 3.55Å; T90-T102 VanDerWaalsContact CA-O 3.28Å; T90-T102 WeakPolarHBondContact CA-O 3.32Å; T90-C103 HydrophobicContact CG2-CB 4.18Å; T90-T156 HydrophobicContact CG2-CG2 3.51Å |
| 91 | V | 89.5 | Confident | 92.9 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.3 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | F49 T50 T71 F72 E93 T102 | F49-V91 HydrophobicContact CD1-CG1 4.04Å; F49-V91 HydrophobicContact CE1-CG1 3.31Å; F49-V91 HydrophobicContact CZ-CG1 3.67Å; T50-V91 HydrophobicContact CG2-CG1 3.77Å; T71-V91 HydrophobicContact CG2-CG1 4.11Å; F72-V91 HydrophobicContact CE1-CG2 3.51Å; F72-V91 HydrophobicContact CZ-CG2 3.46Å; F72-V91 VanDerWaalsContact CZ-CG2 3.46Å; V91-E93 PolarHBondContact O-N 3.36Å; V91-E93 VanDerWaalsContact O-N 3.16Å; V91-T102 PolarHBondContact N-O 2.78Å; V91-T102 PolarHBondContact O-N 2.82Å |
| 92 | P | 90.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 111.1 | 162.2 | -25 | 34.4 | 0 | 0 | 0 | 111.8 | Y48 C51 I58 Y61 A62 E63 | Y48-P92 HydrophobicContact CD1-CG 4.02Å; Y48-P92 HydrophobicContact CE1-CG 3.67Å; C51-P92 WeakPolarHBondContact SG-CG 3.33Å; I58-P92 HydrophobicContact CD1-CB 4.37Å; I58-P92 HydrophobicContact CG1-CB 3.62Å; I58-P92 HydrophobicContact CG1-CG 4.01Å; Y61-P92 WeakPolarHBondContact O-CB 3.38Å; A62-P92 VanDerWaalsContact CA-CB 3.47Å; A62-P92 WeakPolarHBondContact CA-O 3.37Å; A62-P92 HydrophobicContact CB-CB 3.93Å; E63-P92 PolarHBondContact N-O 2.81Å |
| 93 | E | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 140.9 | 170.4 | 164.6 | -179.2 | -156.9 | 0 | 0 | 109.6 | E63 L65 V91 Y99 Y100 T102 K115 R117 | E63-E93 WeakPolarHBondContact O-CA 3.29Å; L65-E93 VanDerWaalsContact CD1-CD 3.42Å; L65-E93 HydrophobicContact CD1-CG 4.1Å; L65-E93 WeakPolarHBondContact CD1-OE1 3.48Å; L65-E93 HydrophobicContact CD2-CB 4.41Å; L65-E93 HydrophobicContact CD2-CG 4.3Å; L65-E93 HydrophobicContact CG-CB 4.42Å; L65-E93 HydrophobicContact CG-CG 3.81Å; L65-E93 WeakPolarHBondContact CG-OE1 3.2Å; V91-E93 PolarHBondContact O-N 3.36Å; V91-E93 VanDerWaalsContact O-N 3.16Å; E93-Y99 CarbonylContact O-C 3.56Å; E93-Y99 WeakPolarHBondContact O-CA 3.43Å; E93-Y100 HydrophobicContact CG-CD2 4.3Å; E93-Y100 PolarHBondContact N-O 2.93Å; E93-Y100 PolarHBondContact O-N 2.96Å; E93-T102 WeakPolarHBondContact CB-OG1 3.38Å; E93-T102 WeakPolarHBondContact OE2-CB 3.39Å; E93-T102 WeakPolarHBondContact OE2-CG2 3.41Å; E93-T102 PolarHBondContact OE2-OG1 2.79Å; E93-K115 IonicContact OE1-NZ 2.76Å; E93-K115 PolarHBondContact OE1-NZ 3.41Å; E93-R117 IonicContact OE1-CZ 3.58Å; E93-R117 IonicContact OE1-NE 2.68Å; E93-R117 IonicContact OE1-NH2 2.77Å; E93-R117 PolarHBondContact OE1-NH2 2.88Å; E93-R117 IonicContact OE2-CZ 3.47Å; E93-R117 IonicContact OE2-NE 3.36Å; E93-R117 PolarHBondContact OE2-NE 3.44Å; E93-R117 IonicContact OE2-NH2 3.12Å; E93-R117 PolarHBondContact OE2-NH2 2.89Å |
| 94 | M | 93.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 24.1 Ų | 24.1 | 35% | 0.35 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.4 | 166.6 | -177 | 179.4 | 61.6 | 0 | 0 | 110.6 | A62 E63 A98 Y99 | A62-M94 HydrophobicContact CB-CB 3.98Å; E63-M94 PolarHBondContact O-N 2.84Å; M94-A98 WeakPolarHBondContact CA-O 3.19Å; M94-Y99 HydrophobicContact CB-CD1 4.11Å; M94-Y99 HydrophobicContact CB-CE1 4.13Å; M94-Y99 HydrophobicContact CG-CD1 4.11Å; M94-Y99 HydrophobicContact CG-CE1 3.75Å; M94-Y99 HydrophobicContact SD-CE1 3.78Å |
| 95 | E | 93 | Very high | 92 | Very high | 66 Ų | 66 | 24 Ų | 24 | 31% | 0.308 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 124.2 | 175.8 | -174.3 | -173.9 | -99.8 | 0 | 0 | 109.6 | G97 A98 Y100 K115 R117 | E95-G97 PolarHBondContact O-N 2.9Å; E95-G97 VanDerWaalsContact O-N 3.08Å; E95-A98 PolarHBondContact N-O 2.87Å; E95-A98 WeakPolarHBondContact O-CB 3.03Å; E95-A98 PolarHBondContact O-N 3.48Å; E95-Y100 HydrophobicContact CB-CE2 4.17Å; E95-K115 IonicContact OE1-NZ 2.66Å; E95-K115 PolarHBondContact OE1-NZ 2.77Å; E95-R117 IonicContact OE1-NH2 2.76Å; E95-R117 PolarHBondContact OE1-NH2 3.42Å; E95-R117 VanDerWaalsContact OE1-NH2 3.12Å; E95-R117 IonicContact OE2-CZ 3.45Å; E95-R117 IonicContact OE2-NH1 3.55Å; E95-R117 PolarHBondContact OE2-NH1 3.44Å; E95-R117 VanDerWaalsContact OE2-NH1 3.09Å; E95-R117 IonicContact OE2-NH2 2.99Å; E95-R117 PolarHBondContact OE2-NH2 3.21Å |
| 96 | N | 91.6 | Very high | 92 | Very high | 163 Ų | 163 | 22.8 Ų | 22.8 | 87% | 0.872 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 35.1 | 175.7 | -59.7 | -37.2 | 0 | 0 | 0 | 115 | A98 | N96-A98 VanDerWaalsContact C-N 3.26Å; N96-A98 PolarHBondContact O-N 2.7Å |
| 97 | G | 89.7 | Confident | 92 | Very high | 60 Ų | 60 | 24 Ų | 24 | 62% | 0.619 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -1.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E95 Y99 | E95-G97 PolarHBondContact O-N 2.9Å; E95-G97 VanDerWaalsContact O-N 3.08Å; G97-Y99 WeakPolarHBondContact O-CE2 3.01Å |
| 98 | A | 92.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 155.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.7 | M94 E95 N96 Y100 T133 | M94-A98 WeakPolarHBondContact CA-O 3.19Å; E95-A98 PolarHBondContact N-O 2.87Å; E95-A98 WeakPolarHBondContact O-CB 3.03Å; E95-A98 PolarHBondContact O-N 3.48Å; N96-A98 VanDerWaalsContact C-N 3.26Å; N96-A98 PolarHBondContact O-N 2.7Å; A98-Y100 HydrophobicContact CB-CE2 3.6Å; A98-Y100 WeakPolarHBondContact CB-OH 3.36Å; A98-T133 HydrophobicContact CB-CG2 4.1Å; A98-T133 WeakPolarHBondContact CB-OG1 3.27Å |
| 99 | Y | 91.6 | Very high | 92.4 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.7 | -176.2 | -56.8 | -89.6 | 0 | 0 | 0 | 110 | I58 R59 A62 E93 M94 G97 T133 | I58-Y99 HydrophobicContact CG2-CG 4.16Å; R59-Y99 HydrophobicContact CB-CD1 4.34Å; R59-Y99 HydrophobicContact CB-CE1 3.92Å; R59-Y99 HydrophobicContact CG-CD1 3.84Å; R59-Y99 HydrophobicContact CG-CD2 3.82Å; R59-Y99 HydrophobicContact CG-CE1 3.58Å; R59-Y99 HydrophobicContact CG-CE2 3.6Å; R59-Y99 HydrophobicContact CG-CG 3.95Å; R59-Y99 VanDerWaalsContact CG-CZ 3.46Å; A62-Y99 HydrophobicContact CB-CD1 3.56Å; A62-Y99 HydrophobicContact CB-CE1 3.95Å; E93-Y99 CarbonylContact O-C 3.56Å; E93-Y99 WeakPolarHBondContact O-CA 3.43Å; M94-Y99 HydrophobicContact CB-CD1 4.11Å; M94-Y99 HydrophobicContact CB-CE1 4.13Å; M94-Y99 HydrophobicContact CG-CD1 4.11Å; M94-Y99 HydrophobicContact CG-CE1 3.75Å; M94-Y99 HydrophobicContact SD-CE1 3.78Å; G97-Y99 WeakPolarHBondContact O-CE2 3.01Å; Y99-T133 PolarHBondContact N-OG1 3.19Å; Y99-T133 VanDerWaalsContact N-OG1 3.09Å; Y99-T133 WeakPolarHBondContact O-CA 3.17Å; Y99-T133 WeakPolarHBondContact O-CB 3.48Å; Y99-T133 PolarHBondContact O-N 2.74Å; Y99-T133 PolarHBondContact O-OG1 3.29Å |
| 100 | Y | 91.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 13% | 0.129 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.5 | -172.9 | -57.1 | -81 | 0 | 0 | 0 | 111.4 | E93 E95 A98 T102 R117 T133 V135 | E93-Y100 HydrophobicContact CG-CD2 4.3Å; E93-Y100 PolarHBondContact N-O 2.93Å; E93-Y100 PolarHBondContact O-N 2.96Å; E95-Y100 HydrophobicContact CB-CE2 4.17Å; A98-Y100 HydrophobicContact CB-CE2 3.6Å; A98-Y100 WeakPolarHBondContact CB-OH 3.36Å; Y100-T102 WeakPolarHBondContact CB-OG1 3.4Å; Y100-R117 HydrophobicContact CD1-CG 4.46Å; Y100-R117 VanDerWaalsContact CD2-CZ 3.43Å; Y100-R117 VanDerWaalsContact CE2-CZ 3.44Å; Y100-R117 HydrophobicContact CG-CG 4.31Å; Y100-T133 HydrophobicContact CD1-CG2 4.22Å; Y100-T133 HydrophobicContact CE1-CG2 3.47Å; Y100-T133 VanDerWaalsContact CE1-CG2 3.47Å; Y100-V135 HydrophobicContact CD1-CG2 3.49Å; Y100-V135 VanDerWaalsContact CD1-CG2 3.49Å; Y100-V135 HydrophobicContact CE1-CG2 3.68Å |
| 101 | N | 89.3 | Confident | 93.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.1 | 164.8 | -174.9 | 11.1 | 0 | 0 | 0 | 109.3 | E47 Y48 T90 R117 K118 R121 E132 | E47-N101 PolarHBondContact OE1-ND2 3.09Å; Y48-N101 HydrophobicContact CE2-CB 4.5Å; Y48-N101 WeakPolarHBondContact CE2-ND2 3.37Å; Y48-N101 VanDerWaalsContact CZ-CG 3.5Å; Y48-N101 WeakPolarHBondContact OH-CB 3.34Å; Y48-N101 PolarHBondContact OH-OD1 2.82Å; T90-N101 WeakPolarHBondContact CB-OD1 3.35Å; T90-N101 WeakPolarHBondContact CG2-OD1 3.34Å; T90-N101 PolarHBondContact OG1-OD1 2.57Å; N101-R117 CarbonylContact O-C 3.58Å; N101-R117 WeakPolarHBondContact O-CA 3.47Å; N101-K118 HydrophobicContact CB-CB 3.92Å; N101-K118 WeakPolarHBondContact ND2-CD 3.46Å; N101-K118 PolarHBondContact O-N 3.22Å; N101-R121 PolarHBondContact ND2-NE 3.04Å; N101-R121 VanDerWaalsContact ND2-NE 3.17Å; N101-R121 PolarHBondContact ND2-NH2 2.79Å; N101-E132 WeakPolarHBondContact CB-OE1 3.25Å |
| 102 | T | 91.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.5 | -164.7 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | L65 T90 V91 E93 Y100 K115 Y116 R117 | L65-T102 HydrophobicContact CD1-CG2 4.2Å; T90-T102 CarbonylContact C-O 3.55Å; T90-T102 VanDerWaalsContact CA-O 3.28Å; T90-T102 WeakPolarHBondContact CA-O 3.32Å; V91-T102 PolarHBondContact N-O 2.78Å; V91-T102 PolarHBondContact O-N 2.82Å; E93-T102 WeakPolarHBondContact CB-OG1 3.38Å; E93-T102 WeakPolarHBondContact OE2-CB 3.39Å; E93-T102 WeakPolarHBondContact OE2-CG2 3.41Å; E93-T102 PolarHBondContact OE2-OG1 2.79Å; Y100-T102 WeakPolarHBondContact CB-OG1 3.4Å; T102-K115 HydrophobicContact CG2-CB 3.8Å; T102-K115 HydrophobicContact CG2-CD 4.34Å; T102-K115 HydrophobicContact CG2-CG 4.42Å; T102-Y116 CarbonylContact C-O 3.45Å; T102-Y116 WeakPolarHBondContact CA-O 3.48Å; T102-R117 HydrophobicContact CG2-CG 4.23Å; T102-R117 WeakPolarHBondContact OG1-CG 3.4Å |
| 103 | C | 91.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.3 | 165 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | I87 G89 T90 K115 Y116 I154 T156 | I87-C103 VanDerWaalsContact CG2-SG 3.56Å; G89-C103 WeakPolarHBondContact O-CA 3.3Å; G89-C103 WeakPolarHBondContact O-CB 3.45Å; G89-C103 PolarHBondContact O-SG 3.04Å; T90-C103 HydrophobicContact CG2-CB 4.18Å; C103-K115 CarbonylContact O-C 3.58Å; C103-K115 WeakPolarHBondContact O-CA 3.48Å; C103-Y116 PolarHBondContact N-O 3.4Å; C103-Y116 PolarHBondContact O-N 2.88Å; C103-I154 HydrophobicContact CB-CG2 4.22Å; C103-T156 HydrophobicContact CB-CG2 3.87Å |
| 104 | C | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.6 | -180 | -66 | 0 | 0 | 0 | 0 | 110.6 | F72 A88 F106 L112 | F72-C104 HydrophobicContact CE1-CB 4.49Å; A88-C104 HydrophobicContact CB-CB 4.26Å; A88-C104 WeakPolarHBondContact CB-O 3.07Å; A88-C104 PolarHBondContact N-O 3.45Å; C104-F106 HydrophobicContact CB-CD2 4.36Å; C104-F106 HydrophobicContact CB-CE2 3.63Å; C104-F106 HydrophobicContact CB-CZ 4.34Å; C104-L112 HydrophobicContact CB-CD1 3.68Å |
| 105 | L | 94.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.1 | -174.1 | -54.2 | 171.2 | 0 | 0 | 0 | 110.1 | I87 V113 G114 V143 F145 I154 | I87-L105 HydrophobicContact CB-CD2 4.38Å; I87-L105 HydrophobicContact CG1-CD2 4.19Å; I87-L105 HydrophobicContact CG2-CD2 3.91Å; L105-V113 HydrophobicContact CB-CG2 4.25Å; L105-V113 WeakPolarHBondContact O-CG2 3.46Å; L105-V113 PolarHBondContact O-N 2.97Å; L105-G114 WeakPolarHBondContact CB-O 3.47Å; L105-G114 PolarHBondContact N-O 2.56Å; L105-V143 HydrophobicContact CD1-CG1 3.77Å; L105-F145 HydrophobicContact CB-CD2 3.99Å; L105-F145 HydrophobicContact CB-CE2 4.03Å; L105-F145 HydrophobicContact CB-CG 4.24Å; L105-F145 HydrophobicContact CB-CZ 4.26Å; L105-F145 HydrophobicContact CD1-CB 3.72Å; L105-F145 HydrophobicContact CD1-CD2 4.2Å; L105-F145 HydrophobicContact CD1-CG 4.02Å; L105-F145 HydrophobicContact CD2-CB 4.22Å; L105-F145 HydrophobicContact CD2-CD1 4Å; L105-F145 HydrophobicContact CD2-CE1 4.42Å; L105-F145 HydrophobicContact CD2-CG 4.09Å; L105-F145 HydrophobicContact CG-CB 4.45Å; L105-F145 HydrophobicContact CG-CG 4.34Å; L105-I154 HydrophobicContact CD1-CG1 4.1Å; L105-I154 HydrophobicContact CD2-CD1 3.62Å; L105-I154 HydrophobicContact CD2-CG1 3.96Å |
| 106 | F | 97 | Very high | 93.6 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 130 | -177.8 | -67.9 | -93.5 | 0 | 0 | 0 | 111.4 | F72 I75 A79 Y85 I86 A88 C104 D111 L112 F145 | F72-F106 HydrophobicContact CB-CZ 4.4Å; F72-F106 HydrophobicContact CD1-CZ 4.11Å; I75-F106 HydrophobicContact CB-CD2 4.48Å; I75-F106 HydrophobicContact CB-CE2 4.24Å; I75-F106 HydrophobicContact CB-CZ 4.48Å; I75-F106 HydrophobicContact CG2-CB 4.5Å; I75-F106 HydrophobicContact CG2-CD1 4.47Å; I75-F106 HydrophobicContact CG2-CD2 3.43Å; I75-F106 VanDerWaalsContact CG2-CD2 3.43Å; I75-F106 HydrophobicContact CG2-CE2 3.62Å; I75-F106 HydrophobicContact CG2-CG 3.89Å; I75-F106 HydrophobicContact CG2-CZ 4.23Å; A79-F106 HydrophobicContact CB-CB 4.06Å; Y85-F106 WeakPolarHBondContact CA-O 3.41Å; I86-F106 HydrophobicContact CB-CB 4.33Å; I86-F106 PolarHBondContact N-O 3.32Å; I86-F106 PolarHBondContact O-N 3.39Å; A88-F106 HydrophobicContact CB-CD2 4.1Å; A88-F106 HydrophobicContact CB-CE2 4.02Å; C104-F106 HydrophobicContact CB-CD2 4.36Å; C104-F106 HydrophobicContact CB-CE2 3.63Å; C104-F106 HydrophobicContact CB-CZ 4.34Å; F106-D111 VanDerWaalsContact CA-O 3.29Å; F106-D111 WeakPolarHBondContact CA-O 3.3Å; F106-L112 HydrophobicContact CD1-CB 4.4Å; F106-L112 HydrophobicContact CE1-CB 4Å; F106-L112 HydrophobicContact CE1-CD1 4.32Å; F106-L112 HydrophobicContact CE2-CD1 4.13Å; F106-L112 HydrophobicContact CZ-CB 4.43Å; F106-L112 HydrophobicContact CZ-CD1 4Å; F106-F145 WeakPolarHBondContact O-CZ 3.38Å |
| 107 | N | 97.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | trans | -80.7 | 175.2 | 174.1 | 75.4 | 10.8 | 0 | 0 | 0 | 112 | Y85 N109 G110 D111 V113 | Y85-N107 HydrophobicContact CD1-CB 4.3Å; Y85-N107 HydrophobicContact CE1-CB 3.98Å; N107-N109 PolarHBondContact O-N 3.12Å; N107-N109 VanDerWaalsContact O-N 3.1Å; N107-N109 WeakPolarHBondContact OD1-CA 3.42Å; N107-N109 WeakPolarHBondContact OD1-CB 3.44Å; N107-N109 PolarHBondContact OD1-N 3.44Å; N107-G110 PolarHBondContact O-N 2.94Å; N107-G110 PolarHBondContact OD1-N 3.27Å; N107-D111 PolarHBondContact N-O 2.95Å; N107-D111 PolarHBondContact ND2-OD2 2.76Å; N107-D111 WeakPolarHBondContact OD1-CB 3.31Å; N107-D111 PolarHBondContact OD1-N 2.99Å; N107-D111 PolarHBondContact OD1-OD2 2.79Å; N107-V113 HydrophobicContact CB-CG1 3.82Å; N107-V113 HydrophobicContact CB-CG2 4.35Å; N107-V113 WeakPolarHBondContact ND2-CG1 3.49Å | ||
| 108 | R | 97 | Very high | 93.4 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.2 | 178 | -59.8 | -175 | -176.9 | -86.1 | 2.4 | 115.2 | Q80 G83 I84 Y85 G110 E148 | Q80-R108 WeakPolarHBondContact CA-O 3.27Å; G83-R108 WeakPolarHBondContact O-CD 3.36Å; G83-R108 WeakPolarHBondContact O-CG 3.41Å; G83-R108 PolarHBondContact O-NH1 3.45Å; I84-R108 WeakPolarHBondContact O-CA 3.35Å; Y85-R108 HydrophobicContact CD2-CG 3.98Å; Y85-R108 HydrophobicContact CE1-CG 4.44Å; Y85-R108 HydrophobicContact CE2-CG 3.68Å; Y85-R108 VanDerWaalsContact CE2-NE 3.29Å; Y85-R108 HydrophobicContact CG-CG 4.44Å; R108-G110 VanDerWaalsContact C-N 3.34Å; R108-E148 IonicContact CZ-OE1 2.76Å; R108-E148 IonicContact NE-OE1 2.92Å; R108-E148 PolarHBondContact NE-OE1 3.15Å; R108-E148 IonicContact NE-OE2 3.99Å; R108-E148 IonicContact NH2-OE1 3.2Å; R108-E148 PolarHBondContact NH2-OE1 2.74Å |
| 109 | N | 97.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 33.8 Ų | 33.8 | 54% | 0.535 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5 | 176.9 | -59.8 | -30.4 | 0 | 0 | 0 | 112.1 | Q80 N107 D111 | Q80-N109 WeakPolarHBondContact CB-O 3.39Å; Q80-N109 WeakPolarHBondContact CG-O 3.35Å; Q80-N109 PolarHBondContact NE2-O 3.45Å; N107-N109 PolarHBondContact O-N 3.12Å; N107-N109 VanDerWaalsContact O-N 3.1Å; N107-N109 WeakPolarHBondContact OD1-CA 3.42Å; N107-N109 WeakPolarHBondContact OD1-CB 3.44Å; N107-N109 PolarHBondContact OD1-N 3.44Å; N109-D111 WeakPolarHBondContact CB-OD2 2.99Å |
| 110 | G | 96.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 86.3 | 7.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S76 N107 R108 | S76-G110 WeakPolarHBondContact CB-O 3.21Å; S76-G110 VanDerWaalsContact O-CA 3.29Å; S76-G110 WeakPolarHBondContact O-CA 3.33Å; S76-G110 PolarHBondContact OG-O 3.37Å; N107-G110 PolarHBondContact O-N 2.94Å; N107-G110 PolarHBondContact OD1-N 3.27Å; R108-G110 VanDerWaalsContact C-N 3.34Å |
| 111 | D | 96.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 36.5 Ų | 36.5 | 44% | 0.444 | 18% | 0.179 | S | C | . | . | trans | -79 | 136.6 | -179.5 | -48.1 | -50.9 | 0 | 0 | 0 | 110.7 | F106 N107 N109 V113 | F106-D111 VanDerWaalsContact CA-O 3.29Å; F106-D111 WeakPolarHBondContact CA-O 3.3Å; N107-D111 PolarHBondContact N-O 2.95Å; N107-D111 PolarHBondContact ND2-OD2 2.76Å; N107-D111 WeakPolarHBondContact OD1-CB 3.31Å; N107-D111 PolarHBondContact OD1-N 2.99Å; N107-D111 PolarHBondContact OD1-OD2 2.79Å; N109-D111 WeakPolarHBondContact CB-OD2 2.99Å; D111-V113 HydrophobicContact CB-CG1 4.12Å; D111-V113 PolarHBondContact O-N 3.12Å | ||
| 112 | L | 95.5 | Very high | 88.8 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 36% | 0.361 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 103.3 | 165.7 | 179 | 64.1 | 0 | 0 | 0 | 108.9 | L65 C104 F106 G114 | L65-L112 HydrophobicContact CB-CD2 4.25Å; L65-L112 HydrophobicContact CD1-CD2 4.47Å; C104-L112 HydrophobicContact CB-CD1 3.68Å; F106-L112 HydrophobicContact CD1-CB 4.4Å; F106-L112 HydrophobicContact CE1-CB 4Å; F106-L112 HydrophobicContact CE1-CD1 4.32Å; F106-L112 HydrophobicContact CE2-CD1 4.13Å; F106-L112 HydrophobicContact CZ-CB 4.43Å; F106-L112 HydrophobicContact CZ-CD1 4Å; L112-G114 VanDerWaalsContact CD1-O 3.32Å; L112-G114 WeakPolarHBondContact CD1-O 3.42Å |
| 113 | V | 95.1 | Very high | 86.9 | Confident | 77 Ų | 77 | 43.3 Ų | 43.3 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -7.2 | -175.2 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | L105 N107 D111 F145 | L105-V113 HydrophobicContact CB-CG2 4.25Å; L105-V113 WeakPolarHBondContact O-CG2 3.46Å; L105-V113 PolarHBondContact O-N 2.97Å; N107-V113 HydrophobicContact CB-CG1 3.82Å; N107-V113 HydrophobicContact CB-CG2 4.35Å; N107-V113 WeakPolarHBondContact ND2-CG1 3.49Å; D111-V113 HydrophobicContact CB-CG1 4.12Å; D111-V113 PolarHBondContact O-N 3.12Å; V113-F145 HydrophobicContact CG2-CD2 3.99Å; V113-F145 HydrophobicContact CG2-CE2 3.55Å |
| 114 | G | 92.8 | Very high | 84.5 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 164.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L105 L112 | L105-G114 WeakPolarHBondContact CB-O 3.47Å; L105-G114 PolarHBondContact N-O 2.56Å; L112-G114 VanDerWaalsContact CD1-O 3.32Å; L112-G114 WeakPolarHBondContact CD1-O 3.42Å |
| 115 | K | 92.7 | Very high | 82.2 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 30% | 0.3 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.5 | 174.4 | 69.7 | -176.4 | -176.2 | -178.1 | 0 | 110.9 | L65 E93 E95 T102 C103 R117 V143 | L65-K115 HydrophobicContact CD1-CB 4.36Å; L65-K115 HydrophobicContact CD1-CD 3.4Å; E93-K115 IonicContact OE1-NZ 2.76Å; E93-K115 PolarHBondContact OE1-NZ 3.41Å; E95-K115 IonicContact OE1-NZ 2.66Å; E95-K115 PolarHBondContact OE1-NZ 2.77Å; T102-K115 HydrophobicContact CG2-CB 3.8Å; T102-K115 HydrophobicContact CG2-CD 4.34Å; T102-K115 HydrophobicContact CG2-CG 4.42Å; C103-K115 CarbonylContact O-C 3.58Å; C103-K115 WeakPolarHBondContact O-CA 3.48Å; K115-R117 VanDerWaalsContact NZ-NH2 3.1Å; K115-V143 WeakPolarHBondContact O-CG2 3.32Å |
| 116 | Y | 89.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 116.1 | 172.7 | 176.1 | -86.6 | 0 | 0 | 0 | 108.9 | T102 C103 K119 V143 I154 T156 D159 L165 | T102-Y116 CarbonylContact C-O 3.45Å; T102-Y116 WeakPolarHBondContact CA-O 3.48Å; C103-Y116 PolarHBondContact N-O 3.4Å; C103-Y116 PolarHBondContact O-N 2.88Å; Y116-K119 HydrophobicContact CE2-CG 4.34Å; Y116-K119 WeakPolarHBondContact OH-CG 3.48Å; Y116-V143 HydrophobicContact CD2-CB 4.01Å; Y116-V143 HydrophobicContact CD2-CG2 3.83Å; Y116-V143 HydrophobicContact CG-CG2 4.47Å; Y116-I154 HydrophobicContact CD1-CG2 4.04Å; Y116-I154 HydrophobicContact CD2-CB 4.36Å; Y116-I154 HydrophobicContact CD2-CG2 4.33Å; Y116-I154 HydrophobicContact CG-CB 4.23Å; Y116-I154 HydrophobicContact CG-CG2 3.73Å; Y116-T156 HydrophobicContact CD1-CG2 3.72Å; Y116-T156 HydrophobicContact CE1-CG2 3.93Å; Y116-T156 WeakPolarHBondContact CE1-OG1 2.98Å; Y116-D159 VanDerWaalsContact CE1-OD2 3.25Å; Y116-D159 WeakPolarHBondContact CE1-OD2 3.32Å; Y116-D159 PolarHBondContact OH-OD2 3.17Å; Y116-L165 HydrophobicContact CE2-CD1 4.39Å |
| 117 | R | 91.1 | Very high | 78.1 | Confident | 40 Ų | 40 | 60.3 Ų | 60.3 | 15% | 0.151 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.9 | 172.7 | -68.7 | 177.2 | 172.1 | 164 | 2.1 | 109.1 | E93 E95 Y100 N101 T102 K115 K119 V135 | E93-R117 IonicContact OE1-CZ 3.58Å; E93-R117 IonicContact OE1-NE 2.68Å; E93-R117 IonicContact OE1-NH2 2.77Å; E93-R117 PolarHBondContact OE1-NH2 2.88Å; E93-R117 IonicContact OE2-CZ 3.47Å; E93-R117 IonicContact OE2-NE 3.36Å; E93-R117 PolarHBondContact OE2-NE 3.44Å; E93-R117 IonicContact OE2-NH2 3.12Å; E93-R117 PolarHBondContact OE2-NH2 2.89Å; E95-R117 IonicContact OE1-NH2 2.76Å; E95-R117 PolarHBondContact OE1-NH2 3.42Å; E95-R117 VanDerWaalsContact OE1-NH2 3.12Å; E95-R117 IonicContact OE2-CZ 3.45Å; E95-R117 IonicContact OE2-NH1 3.55Å; E95-R117 PolarHBondContact OE2-NH1 3.44Å; E95-R117 VanDerWaalsContact OE2-NH1 3.09Å; E95-R117 IonicContact OE2-NH2 2.99Å; E95-R117 PolarHBondContact OE2-NH2 3.21Å; Y100-R117 HydrophobicContact CD1-CG 4.46Å; Y100-R117 VanDerWaalsContact CD2-CZ 3.43Å; Y100-R117 VanDerWaalsContact CE2-CZ 3.44Å; Y100-R117 HydrophobicContact CG-CG 4.31Å; N101-R117 CarbonylContact O-C 3.58Å; N101-R117 WeakPolarHBondContact O-CA 3.47Å; T102-R117 HydrophobicContact CG2-CG 4.23Å; T102-R117 WeakPolarHBondContact OG1-CG 3.4Å; K115-R117 VanDerWaalsContact NZ-NH2 3.1Å; R117-K119 WeakPolarHBondContact O-CD 3.14Å; R117-K119 WeakPolarHBondContact O-CE 3.41Å; R117-K119 WeakPolarHBondContact O-CG 3.37Å; R117-K119 PolarHBondContact O-N 3.38Å; R117-V135 HydrophobicContact CB-CB 4.4Å; R117-V135 HydrophobicContact CB-CG1 4.35Å; R117-V135 HydrophobicContact CB-CG2 3.88Å |
| 118 | K | 85.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.065 | 32% | 0.323 | C | S | . | . | trans | -54 | 134.8 | 178.5 | -170.5 | 161.6 | -173.5 | 178.7 | 0 | 110.5 | E47 N101 Y120 R121 T156 D159 | E47-K118 IonicContact OE1-NZ 2.99Å; E47-K118 PolarHBondContact OE1-NZ 3.46Å; E47-K118 IonicContact OE2-NZ 3.16Å; E47-K118 PolarHBondContact OE2-NZ 3.02Å; N101-K118 HydrophobicContact CB-CB 3.92Å; N101-K118 WeakPolarHBondContact ND2-CD 3.46Å; N101-K118 PolarHBondContact O-N 3.22Å; K118-Y120 WeakPolarHBondContact CE-O 3.2Å; K118-R121 HydrophobicContact CD-CG 3.71Å; K118-R121 HydrophobicContact CG-CG 4.01Å; K118-T156 VanDerWaalsContact CB-OG1 3.31Å; K118-T156 WeakPolarHBondContact CB-OG1 3.37Å; K118-T156 WeakPolarHBondContact CD-OG1 3.29Å; K118-T156 VanDerWaalsContact CE-O 3.32Å; K118-T156 WeakPolarHBondContact CE-O 3.31Å; K118-T156 WeakPolarHBondContact CG-OG1 3.28Å; K118-D159 WeakPolarHBondContact CA-OD2 3.41Å; K118-D159 WeakPolarHBondContact CG-OD2 3.27Å | ||
| 119 | K | 81.2 | Confident | 75.2 | Confident | 54 Ų | 54 | 62 Ų | 62 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | trans | -104.1 | -32.1 | -168.4 | -55.7 | -66.8 | -169.6 | 162.4 | 0 | 111.8 | Y116 R117 V135 A136 F137 D159 | Y116-K119 HydrophobicContact CE2-CG 4.34Å; Y116-K119 WeakPolarHBondContact OH-CG 3.48Å; R117-K119 WeakPolarHBondContact O-CD 3.14Å; R117-K119 WeakPolarHBondContact O-CE 3.41Å; R117-K119 WeakPolarHBondContact O-CG 3.37Å; R117-K119 PolarHBondContact O-N 3.38Å; K119-V135 WeakPolarHBondContact CA-O 3.5Å; K119-V135 HydrophobicContact CD-CB 3.99Å; K119-V135 HydrophobicContact CD-CG1 3.63Å; K119-A136 WeakPolarHBondContact CD-O 3.16Å; K119-A136 PolarHBondContact NZ-O 2.94Å; K119-F137 HydrophobicContact CB-CB 4.08Å; K119-F137 HydrophobicContact CB-CD2 4.16Å; K119-F137 HydrophobicContact CG-CD2 4.01Å; K119-D159 PolarHBondContact N-OD1 2.99Å; K119-D159 PolarHBondContact N-OD2 2.92Å | ||
| 120 | Y | 71.2 | Confident | 74.2 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | trans | -134 | 119.1 | -175.7 | -164.3 | -99.4 | 0 | 0 | 0 | 111.6 | K118 L122 N158 D159 L162 | K118-Y120 WeakPolarHBondContact CE-O 3.2Å; Y120-L122 HydrophobicContact CE1-CD1 3.94Å; Y120-L122 HydrophobicContact CE1-CG 4.01Å; Y120-N158 HydrophobicContact CD1-CB 4.37Å; Y120-D159 VanDerWaalsContact CA-OD1 3.3Å; Y120-D159 WeakPolarHBondContact CA-OD1 3.35Å; Y120-D159 VanDerWaalsContact CB-OD1 3.24Å; Y120-D159 WeakPolarHBondContact CB-OD1 3.48Å; Y120-D159 PolarHBondContact N-OD1 2.97Å; Y120-L162 HydrophobicContact CD1-CD2 4.32Å; Y120-L162 HydrophobicContact CG-CD1 4.3Å; Y120-L162 HydrophobicContact CG-CD2 4.26Å | ||
| 121 | R | 62.6 | Low | 73.5 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | trans | -128.8 | 123.5 | 176.3 | -75.5 | -120.5 | -150.4 | 174.4 | 31.3 | 110.5 | E47 Y48 N101 K118 F128 E132 | E47-R121 IonicContact OE1-CZ 3.22Å; E47-R121 IonicContact OE1-NE 3.77Å; E47-R121 IonicContact OE1-NH1 3.09Å; E47-R121 PolarHBondContact OE1-NH1 2.99Å; Y48-R121 VanDerWaalsContact CE2-CZ 3.43Å; Y48-R121 PolarHBondContact OH-NH2 2.95Å; N101-R121 PolarHBondContact ND2-NE 3.04Å; N101-R121 VanDerWaalsContact ND2-NE 3.17Å; N101-R121 PolarHBondContact ND2-NH2 2.79Å; K118-R121 HydrophobicContact CD-CG 3.71Å; K118-R121 HydrophobicContact CG-CG 4.01Å; R121-F128 HydrophobicContact CB-CD1 3.99Å; R121-F128 HydrophobicContact CB-CE1 3.85Å; R121-E132 IonicContact CZ-OE1 2.76Å; R121-E132 VanDerWaalsContact CZ-OE1 3.26Å; R121-E132 IonicContact CZ-OE2 3.25Å; R121-E132 IonicContact NE-OE1 2.7Å; R121-E132 PolarHBondContact NE-OE1 2.82Å; R121-E132 IonicContact NE-OE2 2.71Å; R121-E132 PolarHBondContact NE-OE2 3.2Å; R121-E132 IonicContact NH2-OE1 3.27Å; R121-E132 PolarHBondContact NH2-OE1 2.63Å; R121-E132 IonicContact NH2-OE2 3.96Å; R121-E132 PolarHBondContact NH2-OE2 3.09Å | ||
| 122 | L | 52.9 | Low | 72.8 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 41% | 0.414 | 32% | 0.318 | S | S | . | . | trans | -121.3 | 120.2 | 152.5 | -66.9 | 175.2 | 0 | 0 | 0 | 103.6 | Y120 G126 N158 | Y120-L122 HydrophobicContact CE1-CD1 3.94Å; Y120-L122 HydrophobicContact CE1-CG 4.01Å; L122-G126 VanDerWaalsContact CD2-CA 3.49Å; L122-G126 WeakPolarHBondContact CD2-O 3.13Å; L122-N158 PolarHBondContact O-ND2 3.45Å; L122-N158 VanDerWaalsContact O-ND2 3.08Å | ||
| 123 | N | 51.5 | Low | 72.3 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -62.7 | -179.6 | 157.5 | 74.7 | 11.8 | 0 | 0 | 0 | 108.3 | L125 G126 E127 | N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 2.87Å; N123-L125 VanDerWaalsContact OD1-CB 3.3Å; N123-L125 WeakPolarHBondContact OD1-CB 3.49Å; N123-L125 PolarHBondContact OD1-N 2.83Å; N123-G126 PolarHBondContact O-N 3.08Å; N123-G126 PolarHBondContact OD1-N 2.82Å; N123-E127 VanDerWaalsContact CB-O 3.25Å; N123-E127 WeakPolarHBondContact CB-O 3.27Å; N123-E127 VanDerWaalsContact CG-N 3.31Å; N123-E127 PolarHBondContact N-O 2.89Å; N123-E127 WeakPolarHBondContact ND2-CB 2.95Å; N123-E127 PolarHBondContact ND2-O 3.23Å; N123-E127 PolarHBondContact OD1-N 2.96Å | ||
| 124 | V | 42.3 | Very low | 71.5 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.7 | -179.6 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | P187 | V124-P187 HydrophobicContact CB-CG 4.26Å; V124-P187 HydrophobicContact CG1-CG 3.85Å |
| 125 | L | 44.3 | Very low | 70.7 | Confident | 135 Ų | 135 | 62.8 Ų | 62.8 | 71% | 0.707 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -1.4 | 175 | -55.9 | 177.4 | 0 | 0 | 0 | 113.2 | N123 E127 | N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 2.87Å; N123-L125 VanDerWaalsContact OD1-CB 3.3Å; N123-L125 WeakPolarHBondContact OD1-CB 3.49Å; N123-L125 PolarHBondContact OD1-N 2.83Å; L125-E127 HydrophobicContact CB-CG 4.15Å |
| 126 | G | 51.9 | Low | 69.8 | Low | 30 Ų | 30 | 63.6 Ų | 63.6 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 81.5 | 13.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L122 N123 | L122-G126 VanDerWaalsContact CD2-CA 3.49Å; L122-G126 WeakPolarHBondContact CD2-O 3.13Å; N123-G126 PolarHBondContact O-N 3.08Å; N123-G126 PolarHBondContact OD1-N 2.82Å |
| 127 | E | 55.1 | Low | 68.9 | Low | 115 Ų | 115 | 66.2 Ų | 66.2 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 153.1 | -175.3 | -42.8 | 173.1 | 137.4 | 0 | 0 | 112.4 | N123 L125 | N123-E127 VanDerWaalsContact CB-O 3.25Å; N123-E127 WeakPolarHBondContact CB-O 3.27Å; N123-E127 VanDerWaalsContact CG-N 3.31Å; N123-E127 PolarHBondContact N-O 2.89Å; N123-E127 WeakPolarHBondContact ND2-CB 2.95Å; N123-E127 PolarHBondContact ND2-O 3.23Å; N123-E127 PolarHBondContact OD1-N 2.96Å; L125-E127 HydrophobicContact CB-CG 4.15Å |
| 128 | F | 62.8 | Low | 68.1 | Low | 82 Ų | 82 | 67.3 Ų | 67.3 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 154.5 | 174.4 | -64.7 | -87.1 | 0 | 0 | 0 | 110.5 | R121 Q134 | R121-F128 HydrophobicContact CB-CD1 3.99Å; R121-F128 HydrophobicContact CB-CE1 3.85Å; F128-Q134 HydrophobicContact CD1-CG 4.09Å; F128-Q134 HydrophobicContact CE1-CG 3.69Å; F128-Q134 HydrophobicContact CZ-CG 3.97Å |
| 129 | L | 70 | Confident | 67.2 | Low | 33 Ų | 33 | 69.9 Ų | 69.9 | 17% | 0.173 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 136.7 | 162.6 | -73 | 169.8 | 0 | 0 | 0 | 108.4 | Y48 F55 N131 E132 | Y48-L129 HydrophobicContact CE2-CD1 4.38Å; F55-L129 HydrophobicContact CE1-CD1 4.41Å; F55-L129 HydrophobicContact CE2-CD1 3.51Å; F55-L129 HydrophobicContact CE2-CD2 4.4Å; F55-L129 HydrophobicContact CZ-CD1 3.4Å; L129-N131 PolarHBondContact O-N 2.82Å; L129-E132 HydrophobicContact CB-CB 4.3Å; L129-E132 WeakPolarHBondContact O-CB 3.23Å; L129-E132 PolarHBondContact O-N 3.09Å; L129-E132 VanDerWaalsContact O-N 3.16Å |
| 130 | P | 76.6 | Confident | 66.7 | Low | 70 Ų | 70 | 73.6 Ų | 73.6 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | 131.5 | 168 | -32.6 | 34.6 | 0 | 0 | 0 | 112.2 | N56 E132 | N56-P130 WeakPolarHBondContact O-CB 3.48Å; N56-P130 WeakPolarHBondContact O-CD 3.09Å; N56-P130 WeakPolarHBondContact O-CG 3.14Å; P130-E132 PolarHBondContact O-N 2.69Å |
| 131 | N | 81.9 | Confident | 67.1 | Low | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 3.4 | 176.6 | -45 | -70.5 | 0 | 0 | 0 | 116.7 | D57 I58 R59 L129 T133 | D57-N131 VanDerWaalsContact CG-ND2 3.28Å; D57-N131 PolarHBondContact OD1-ND2 3.42Å; D57-N131 PolarHBondContact OD2-ND2 3.2Å; D57-N131 VanDerWaalsContact OD2-ND2 3.12Å; I58-N131 HydrophobicContact CG2-CB 4.29Å; R59-N131 HydrophobicContact CG-CB 3.81Å; R59-N131 PolarHBondContact NE-ND2 3.04Å; R59-N131 PolarHBondContact NH2-ND2 3.24Å; L129-N131 PolarHBondContact O-N 2.82Å; N131-T133 PolarHBondContact O-N 2.84Å |
| 132 | E | 82.5 | Confident | 67.9 | Low | 20 Ų | 20 | 75 Ų | 75 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 126.8 | 169.9 | -175.3 | 179 | 178.4 | 0 | 0 | 110.7 | I58 N101 R121 L129 P130 | I58-E132 HydrophobicContact CD1-CB 4.18Å; I58-E132 HydrophobicContact CD1-CG 4.03Å; I58-E132 HydrophobicContact CG2-CB 4.36Å; N101-E132 WeakPolarHBondContact CB-OE1 3.25Å; R121-E132 IonicContact CZ-OE1 2.76Å; R121-E132 VanDerWaalsContact CZ-OE1 3.26Å; R121-E132 IonicContact CZ-OE2 3.25Å; R121-E132 IonicContact NE-OE1 2.7Å; R121-E132 PolarHBondContact NE-OE1 2.82Å; R121-E132 IonicContact NE-OE2 2.71Å; R121-E132 PolarHBondContact NE-OE2 3.2Å; R121-E132 IonicContact NH2-OE1 3.27Å; R121-E132 PolarHBondContact NH2-OE1 2.63Å; R121-E132 IonicContact NH2-OE2 3.96Å; R121-E132 PolarHBondContact NH2-OE2 3.09Å; L129-E132 HydrophobicContact CB-CB 4.3Å; L129-E132 WeakPolarHBondContact O-CB 3.23Å; L129-E132 PolarHBondContact O-N 3.09Å; L129-E132 VanDerWaalsContact O-N 3.16Å; P130-E132 PolarHBondContact O-N 2.69Å |
| 133 | T | 83.9 | Confident | 69.5 | Low | 46 Ų | 46 | 72.8 Ų | 72.8 | 28% | 0.282 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 123 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | A98 Y99 Y100 N131 | A98-T133 HydrophobicContact CB-CG2 4.1Å; A98-T133 WeakPolarHBondContact CB-OG1 3.27Å; Y99-T133 PolarHBondContact N-OG1 3.19Å; Y99-T133 VanDerWaalsContact N-OG1 3.09Å; Y99-T133 WeakPolarHBondContact O-CA 3.17Å; Y99-T133 WeakPolarHBondContact O-CB 3.48Å; Y99-T133 PolarHBondContact O-N 2.74Å; Y99-T133 PolarHBondContact O-OG1 3.29Å; Y100-T133 HydrophobicContact CD1-CG2 4.22Å; Y100-T133 HydrophobicContact CE1-CG2 3.47Å; Y100-T133 VanDerWaalsContact CE1-CG2 3.47Å; N131-T133 PolarHBondContact O-N 2.84Å |
| 134 | Q | 79.3 | Confident | 71.1 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 62% | 0.621 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 143.2 | 177.6 | -64.6 | -177.4 | 14.8 | 0 | 0 | 111.1 | F128 | F128-Q134 HydrophobicContact CD1-CG 4.09Å; F128-Q134 HydrophobicContact CE1-CG 3.69Å; F128-Q134 HydrophobicContact CZ-CG 3.97Å |
| 135 | V | 76.1 | Confident | 73.3 | Confident | 29 Ų | 29 | 67 Ų | 67 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | trans | -122.2 | 120.9 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | Y100 R117 K119 | Y100-V135 HydrophobicContact CD1-CG2 3.49Å; Y100-V135 VanDerWaalsContact CD1-CG2 3.49Å; Y100-V135 HydrophobicContact CE1-CG2 3.68Å; R117-V135 HydrophobicContact CB-CB 4.4Å; R117-V135 HydrophobicContact CB-CG1 4.35Å; R117-V135 HydrophobicContact CB-CG2 3.88Å; K119-V135 WeakPolarHBondContact CA-O 3.5Å; K119-V135 HydrophobicContact CD-CB 3.99Å; K119-V135 HydrophobicContact CD-CG1 3.63Å | ||
| 136 | A | 72.7 | Confident | 75.4 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | trans | -62.7 | 140 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K119 | K119-A136 WeakPolarHBondContact CD-O 3.16Å; K119-A136 PolarHBondContact NZ-O 2.94Å | ||
| 137 | F | 70.7 | Confident | 77 | Confident | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | trans | -71.8 | 125.9 | 169.4 | -177.4 | -108.9 | 0 | 0 | 0 | 109.6 | K119 V139 Q164 L165 A168 | K119-F137 HydrophobicContact CB-CB 4.08Å; K119-F137 HydrophobicContact CB-CD2 4.16Å; K119-F137 HydrophobicContact CG-CD2 4.01Å; F137-V139 HydrophobicContact CD1-CG1 4.08Å; F137-V139 HydrophobicContact CE1-CB 4.21Å; F137-V139 HydrophobicContact CE1-CG1 3.39Å; F137-V139 HydrophobicContact CZ-CG1 4.23Å; F137-Q164 HydrophobicContact CD1-CB 4.21Å; F137-Q164 HydrophobicContact CE1-CB 3.58Å; F137-Q164 HydrophobicContact CZ-CB 4.38Å; F137-L165 HydrophobicContact CE2-CB 4.26Å; F137-L165 HydrophobicContact CE2-CD1 3.55Å; F137-L165 HydrophobicContact CZ-CB 4.24Å; F137-L165 HydrophobicContact CZ-CD1 4.1Å; F137-A168 HydrophobicContact CZ-CB 4.13Å | ||
| 138 | D | 74.8 | Confident | 78.5 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | trans | -115.5 | 115.1 | 169.8 | -168.4 | -19.9 | 0 | 0 | 0 | 108.6 | N140 E141 | D138-N140 PolarHBondContact O-N 2.63Å; D138-N140 WeakPolarHBondContact OD1-CB 3.31Å; D138-N140 PolarHBondContact OD1-N 3.49Å; D138-N140 PolarHBondContact OD1-ND2 3.25Å; D138-E141 HydrophobicContact CB-CB 4.46Å; D138-E141 PolarHBondContact O-N 3.03Å | ||
| 139 | V | 67.1 | Low | 79.4 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.7 | 178.4 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | F137 E141 Q164 A168 | F137-V139 HydrophobicContact CD1-CG1 4.08Å; F137-V139 HydrophobicContact CE1-CB 4.21Å; F137-V139 HydrophobicContact CE1-CG1 3.39Å; F137-V139 HydrophobicContact CZ-CG1 4.23Å; V139-E141 VanDerWaalsContact C-N 3.35Å; V139-Q164 HydrophobicContact CG1-CB 4.34Å; V139-A168 HydrophobicContact CB-CB 4.48Å; V139-A168 VanDerWaalsContact O-CB 3.28Å; V139-A168 WeakPolarHBondContact O-CB 3.42Å |
| 140 | N | 70.2 | Confident | 79.9 | Confident | 131 Ų | 131 | 60.3 Ų | 60.3 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -5.4 | -175 | -53.8 | -67.2 | 0 | 0 | 0 | 112.8 | D138 P142 | D138-N140 PolarHBondContact O-N 2.63Å; D138-N140 WeakPolarHBondContact OD1-CB 3.31Å; D138-N140 PolarHBondContact OD1-N 3.49Å; D138-N140 PolarHBondContact OD1-ND2 3.25Å; N140-P142 WeakPolarHBondContact O-CD 3.4Å |
| 141 | E | 79.5 | Confident | 80.2 | Confident | 137 Ų | 137 | 57.6 Ų | 57.6 | 64% | 0.64 | 30% | 0.301 | S | S | * | . | trans | -125.5 | 54.8 | -177.6 | -59.4 | -171.6 | 164.4 | 0 | 0 | 112.5 | D138 V139 | D138-E141 HydrophobicContact CB-CB 4.46Å; D138-E141 PolarHBondContact O-N 3.03Å; V139-E141 VanDerWaalsContact C-N 3.35Å | ||
| 142 | P | 79.7 | Confident | 80.3 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | trans | -64.7 | 139.9 | 171.8 | 27.5 | -31.6 | 0 | 0 | 0 | 110.7 | N140 A168 Y169 A172 | N140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-A168 HydrophobicContact CB-CB 4.28Å; P142-A168 HydrophobicContact CG-CB 4.49Å; P142-Y169 HydrophobicContact CB-CD1 3.65Å; P142-Y169 HydrophobicContact CB-CE1 3.42Å; P142-Y169 VanDerWaalsContact CB-CE1 3.42Å; P142-Y169 HydrophobicContact CB-CG 4.43Å; P142-A172 HydrophobicContact CG-CB 3.84Å | ||
| 143 | V | 87 | Confident | 80.4 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | trans | -91.9 | 110.9 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | L105 K115 Y116 I154 Y169 | L105-V143 HydrophobicContact CD1-CG1 3.77Å; K115-V143 WeakPolarHBondContact O-CG2 3.32Å; Y116-V143 HydrophobicContact CD2-CB 4.01Å; Y116-V143 HydrophobicContact CD2-CG2 3.83Å; Y116-V143 HydrophobicContact CG-CG2 4.47Å; V143-I154 HydrophobicContact CG1-CG1 4.19Å; V143-I154 PolarHBondContact O-N 3.41Å; V143-Y169 PolarHBondContact N-OH 2.72Å; V143-Y169 WeakPolarHBondContact O-CE1 3.27Å; V143-Y169 PolarHBondContact O-OH 3.17Å; V143-Y169 VanDerWaalsContact O-OH 3.11Å | ||
| 144 | I | 85.1 | Confident | 80.5 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.7 | -179.5 | -58.1 | 177 | 0 | 0 | 0 | 109.3 | R146 D151 I152 Y169 A172 S174 A175 | I144-R146 HydrophobicContact CG2-CG 4.15Å; I144-R146 PolarHBondContact O-N 3.25Å; I144-D151 HydrophobicContact CG2-CB 3.81Å; I144-I152 CarbonylContact C-O 3.44Å; I144-Y169 HydrophobicContact CD1-CD1 4.48Å; I144-Y169 HydrophobicContact CG1-CD1 4.02Å; I144-Y169 HydrophobicContact CG1-CE1 3.94Å; I144-A172 HydrophobicContact CD1-CB 3.68Å; I144-S174 WeakPolarHBondContact CD1-OG 3.35Å; I144-A175 HydrophobicContact CD1-CB 4.3Å; I144-A175 HydrophobicContact CG1-CB 4.47Å |
| 145 | F | 88.1 | Confident | 80.6 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 106.7 | 175.1 | -176.5 | -151 | 0 | 0 | 0 | 110.2 | Y85 I87 L105 F106 V113 I152 I154 | Y85-F145 HydrophobicContact CD1-CE1 4.18Å; Y85-F145 AromaticContact CD1-CE2 3.82Å; Y85-F145 HydrophobicContact CD1-CE2 3.82Å; Y85-F145 AromaticContact CD1-CZ 3.39Å; Y85-F145 HydrophobicContact CD1-CZ 3.39Å; Y85-F145 HydrophobicContact CE1-CE2 4.32Å; Y85-F145 HydrophobicContact CE1-CZ 4.31Å; Y85-F145 HydrophobicContact CG-CE1 4.45Å; Y85-F145 HydrophobicContact CG-CZ 4.04Å; I87-F145 HydrophobicContact CD1-CD1 4.11Å; I87-F145 HydrophobicContact CD1-CE1 4.42Å; I87-F145 HydrophobicContact CG1-CD1 3.82Å; I87-F145 HydrophobicContact CG1-CE1 3.73Å; L105-F145 HydrophobicContact CB-CD2 3.99Å; L105-F145 HydrophobicContact CB-CE2 4.03Å; L105-F145 HydrophobicContact CB-CG 4.24Å; L105-F145 HydrophobicContact CB-CZ 4.26Å; L105-F145 HydrophobicContact CD1-CB 3.72Å; L105-F145 HydrophobicContact CD1-CD2 4.2Å; L105-F145 HydrophobicContact CD1-CG 4.02Å; L105-F145 HydrophobicContact CD2-CB 4.22Å; L105-F145 HydrophobicContact CD2-CD1 4Å; L105-F145 HydrophobicContact CD2-CE1 4.42Å; L105-F145 HydrophobicContact CD2-CG 4.09Å; L105-F145 HydrophobicContact CG-CB 4.45Å; L105-F145 HydrophobicContact CG-CG 4.34Å; F106-F145 WeakPolarHBondContact O-CZ 3.38Å; V113-F145 HydrophobicContact CG2-CD2 3.99Å; V113-F145 HydrophobicContact CG2-CE2 3.55Å; F145-I152 HydrophobicContact CB-CB 4.11Å; F145-I152 HydrophobicContact CD1-CD1 4.11Å; F145-I152 PolarHBondContact N-O 3.1Å; F145-I152 PolarHBondContact O-N 3.48Å; F145-I154 HydrophobicContact CB-CD1 4.24Å |
| 146 | R | 87.7 | Confident | 80.8 | Confident | 158 Ų | 158 | 43.2 Ų | 43.2 | 60% | 0.596 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | -175.1 | -58.5 | -165.6 | 171.5 | 96.9 | 0.7 | 111.1 | I144 D151 | I144-R146 HydrophobicContact CG2-CG 4.15Å; I144-R146 PolarHBondContact O-N 3.25Å; R146-D151 WeakPolarHBondContact CG-OD1 3.47Å; R146-D151 IonicContact NE-OD2 3.21Å; R146-D151 PolarHBondContact NE-OD2 2.99Å |
| 147 | T | 85.7 | Confident | 81 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | trans | -116.3 | 169.4 | 170.4 | 74.5 | 0 | 0 | 0 | 0 | 110.1 | K3 Y85 F149 V150 I152 | K3-T147 WeakPolarHBondContact CE-O 3.46Å; K3-T147 PolarHBondContact NZ-O 3.22Å; Y85-T147 HydrophobicContact CD1-CG2 3.97Å; Y85-T147 HydrophobicContact CD2-CG2 3.97Å; Y85-T147 HydrophobicContact CE1-CG2 4.02Å; Y85-T147 HydrophobicContact CE2-CG2 4.05Å; Y85-T147 HydrophobicContact CG-CG2 3.94Å; T147-F149 PolarHBondContact O-N 3.19Å; T147-F149 PolarHBondContact OG1-N 3.16Å; T147-V150 PolarHBondContact N-O 3.15Å; T147-V150 VanDerWaalsContact N-O 3.1Å; T147-V150 PolarHBondContact OG1-N 2.89Å; T147-V150 PolarHBondContact OG1-O 3.05Å; T147-I152 HydrophobicContact CG2-CD1 3.91Å | ||
| 148 | E | 86.2 | Confident | 81.2 | Confident | 70 Ų | 70 | 39.5 Ų | 39.5 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -66.4 | -20.8 | 170.1 | 71.5 | -83.6 | -147.8 | 0 | 0 | 113 | Y85 R108 | Y85-E148 WeakPolarHBondContact CE2-OE2 3.11Å; Y85-E148 VanDerWaalsContact CZ-OE2 3.28Å; Y85-E148 PolarHBondContact OH-OE2 3.09Å; R108-E148 IonicContact CZ-OE1 2.76Å; R108-E148 IonicContact NE-OE1 2.92Å; R108-E148 PolarHBondContact NE-OE1 3.15Å; R108-E148 IonicContact NE-OE2 3.99Å; R108-E148 IonicContact NH2-OE1 3.2Å; R108-E148 PolarHBondContact NH2-OE1 2.74Å |
| 149 | F | 82.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -84.7 | -51.7 | -179.1 | -49.8 | -62.7 | 0 | 0 | 0 | 112.2 | Q6 F8 N41 Y85 T147 | Q6-F149 HydrophobicContact CB-CD1 4.01Å; Q6-F149 HydrophobicContact CB-CE1 4.37Å; F8-F149 HydrophobicContact CB-CB 4.17Å; F8-F149 HydrophobicContact CB-CD1 3.61Å; F8-F149 HydrophobicContact CB-CD2 3.85Å; F8-F149 HydrophobicContact CB-CE1 3.8Å; F8-F149 HydrophobicContact CB-CE2 4.01Å; F8-F149 HydrophobicContact CB-CG 3.6Å; F8-F149 HydrophobicContact CB-CZ 3.95Å; F8-F149 HydrophobicContact CD1-CB 3.58Å; F8-F149 HydrophobicContact CD1-CD1 4.45Å; F8-F149 HydrophobicContact CD1-CG 4Å; F8-F149 HydrophobicContact CD2-CB 4.36Å; F8-F149 HydrophobicContact CD2-CD2 4.08Å; F8-F149 HydrophobicContact CD2-CG 4.28Å; F8-F149 HydrophobicContact CE1-CB 4.02Å; F8-F149 HydrophobicContact CG-CB 3.79Å; F8-F149 HydrophobicContact CG-CD1 4.19Å; F8-F149 AromaticContact CG-CD2 3.94Å; F8-F149 HydrophobicContact CG-CD2 3.94Å; F8-F149 AromaticContact CG-CG 3.72Å; F8-F149 HydrophobicContact CG-CG 3.72Å; N41-F149 HydrophobicContact CB-CD2 4.48Å; N41-F149 HydrophobicContact CB-CE2 3.5Å; N41-F149 HydrophobicContact CB-CZ 3.69Å; Y85-F149 HydrophobicContact CD2-CE2 4.47Å; Y85-F149 HydrophobicContact CE2-CE2 4.41Å; T147-F149 PolarHBondContact O-N 3.19Å; T147-F149 PolarHBondContact OG1-N 3.16Å |
| 150 | V | 80.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | trans | -160.6 | 154.3 | -169.9 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | F8 T147 I152 E176 E177 | F8-V150 HydrophobicContact CE1-CB 4.43Å; F8-V150 HydrophobicContact CE1-CG1 3.78Å; F8-V150 HydrophobicContact CE2-CG1 4.25Å; F8-V150 HydrophobicContact CZ-CG1 3.47Å; F8-V150 VanDerWaalsContact CZ-CG1 3.47Å; T147-V150 PolarHBondContact N-O 3.15Å; T147-V150 VanDerWaalsContact N-O 3.1Å; T147-V150 PolarHBondContact OG1-N 2.89Å; T147-V150 PolarHBondContact OG1-O 3.05Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.83Å; V150-E176 HydrophobicContact CG2-CB 3.81Å; V150-E177 HydrophobicContact CG1-CB 4.5Å; V150-E177 HydrophobicContact CG2-CB 3.62Å | ||
| 151 | D | 81.4 | Confident | 81.8 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 124.2 | 168.2 | -85.1 | 14.2 | 0 | 0 | 0 | 109.4 | K3 I144 R146 S174 E176 E177 | K3-D151 IonicContact NZ-OD1 2.67Å; K3-D151 PolarHBondContact NZ-OD1 3.26Å; I144-D151 HydrophobicContact CG2-CB 3.81Å; R146-D151 WeakPolarHBondContact CG-OD1 3.47Å; R146-D151 IonicContact NE-OD2 3.21Å; R146-D151 PolarHBondContact NE-OD2 2.99Å; D151-S174 WeakPolarHBondContact CB-O 3.24Å; D151-E176 PolarHBondContact O-N 3.46Å; D151-E177 PolarHBondContact O-N 3.2Å; D151-E177 VanDerWaalsContact O-N 3.1Å |
| 152 | I | 84.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.3 | -169.6 | -61.5 | 164.4 | 0 | 0 | 0 | 110.2 | V42 I87 I144 F145 T147 V150 I154 E177 I179 | V42-I152 HydrophobicContact CG1-CD1 4.39Å; V42-I152 HydrophobicContact CG2-CD1 4.44Å; I87-I152 HydrophobicContact CD1-CG2 3.97Å; I144-I152 CarbonylContact C-O 3.44Å; F145-I152 HydrophobicContact CB-CB 4.11Å; F145-I152 HydrophobicContact CD1-CD1 4.11Å; F145-I152 PolarHBondContact N-O 3.1Å; F145-I152 PolarHBondContact O-N 3.48Å; T147-I152 HydrophobicContact CG2-CD1 3.91Å; V150-I152 HydrophobicContact CG1-CD1 4.28Å; V150-I152 HydrophobicContact CG1-CG1 3.83Å; I152-I154 HydrophobicContact CG2-CD1 4.01Å; I152-E177 CarbonylContact C-O 3.57Å; I152-E177 WeakPolarHBondContact CA-O 3.3Å; I152-I179 HydrophobicContact CB-CD1 4.41Å; I152-I179 HydrophobicContact CD1-CD1 3.78Å; I152-I179 HydrophobicContact CG1-CD1 3.83Å; I152-I179 HydrophobicContact CG1-CG1 4.38Å; I152-I179 HydrophobicContact CG2-CB 3.45Å; I152-I179 VanDerWaalsContact CG2-CB 3.45Å; I152-I179 HydrophobicContact CG2-CD1 3.71Å; I152-I179 HydrophobicContact CG2-CG1 3.57Å |
| 153 | G | 84.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 142.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y169 E177 T178 I179 | G153-Y169 VanDerWaalsContact CA-CE1 3.43Å; G153-E177 PolarHBondContact N-O 3.25Å; G153-T178 CarbonylContact O-C 3.54Å; G153-I179 CarbonylContact O-C 3.58Å; G153-I179 PolarHBondContact O-N 3.04Å; G153-I179 VanDerWaalsContact O-O 3.05Å |
| 154 | I | 85.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.4 | -178 | -53.3 | -58.7 | 0 | 0 | 0 | 112 | I87 C103 L105 Y116 V143 F145 I152 Y169 | I87-I154 HydrophobicContact CD1-CD1 4.16Å; I87-I154 HydrophobicContact CG2-CD1 4.24Å; C103-I154 HydrophobicContact CB-CG2 4.22Å; L105-I154 HydrophobicContact CD1-CG1 4.1Å; L105-I154 HydrophobicContact CD2-CD1 3.62Å; L105-I154 HydrophobicContact CD2-CG1 3.96Å; Y116-I154 HydrophobicContact CD1-CG2 4.04Å; Y116-I154 HydrophobicContact CD2-CB 4.36Å; Y116-I154 HydrophobicContact CD2-CG2 4.33Å; Y116-I154 HydrophobicContact CG-CB 4.23Å; Y116-I154 HydrophobicContact CG-CG2 3.73Å; V143-I154 HydrophobicContact CG1-CG1 4.19Å; V143-I154 PolarHBondContact O-N 3.41Å; F145-I154 HydrophobicContact CB-CD1 4.24Å; I152-I154 HydrophobicContact CG2-CD1 4.01Å; I154-Y169 VanDerWaalsContact N-CZ 3.28Å; I154-Y169 PolarHBondContact N-OH 2.93Å; I154-Y169 PolarHBondContact O-OH 3.18Å |
| 155 | G | 82.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | G180 C181 | G155-G180 CarbonylContact O-C 3.57Å; G155-G180 WeakPolarHBondContact O-CA 3.32Å; G155-C181 PolarHBondContact O-N 3.21Å |
| 156 | T | 79.8 | Confident | 80 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.4 | -175.8 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | T90 C103 Y116 K118 N158 D159 C181 | T90-T156 HydrophobicContact CG2-CG2 3.51Å; C103-T156 HydrophobicContact CB-CG2 3.87Å; Y116-T156 HydrophobicContact CD1-CG2 3.72Å; Y116-T156 HydrophobicContact CE1-CG2 3.93Å; Y116-T156 WeakPolarHBondContact CE1-OG1 2.98Å; K118-T156 VanDerWaalsContact CB-OG1 3.31Å; K118-T156 WeakPolarHBondContact CB-OG1 3.37Å; K118-T156 WeakPolarHBondContact CD-OG1 3.29Å; K118-T156 VanDerWaalsContact CE-O 3.32Å; K118-T156 WeakPolarHBondContact CE-O 3.31Å; K118-T156 WeakPolarHBondContact CG-OG1 3.28Å; T156-N158 PolarHBondContact O-N 3.39Å; T156-D159 VanDerWaalsContact O-CB 3.27Å; T156-D159 WeakPolarHBondContact O-CB 3.34Å; T156-D159 PolarHBondContact O-N 3.27Å; T156-D159 PolarHBondContact OG1-OD2 3.07Å; T156-C181 VanDerWaalsContact CA-O 3.27Å; T156-C181 WeakPolarHBondContact CA-O 3.49Å; T156-C181 HydrophobicContact CG2-CB 4.45Å |
| 157 | G | 77.9 | Confident | 79.5 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | 47.1 | -125.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D159 I160 C181 | G157-D159 PolarHBondContact O-N 3.24Å; G157-D159 VanDerWaalsContact O-N 3.08Å; G157-I160 VanDerWaalsContact O-CG1 3.28Å; G157-I160 WeakPolarHBondContact O-CG1 3.43Å; G157-I160 PolarHBondContact O-N 3.25Å; G157-C181 PolarHBondContact N-O 2.7Å; G157-C181 VanDerWaalsContact N-O 3.09Å |
| 158 | N | 74.5 | Confident | 79.1 | Confident | 61 Ų | 61 | 32.7 Ų | 32.7 | 33% | 0.326 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -61.5 | -17.4 | -177.9 | -63.9 | -11.9 | 0 | 0 | 0 | 114.9 | Y120 L122 T156 I160 H161 | Y120-N158 HydrophobicContact CD1-CB 4.37Å; L122-N158 PolarHBondContact O-ND2 3.45Å; L122-N158 VanDerWaalsContact O-ND2 3.08Å; T156-N158 PolarHBondContact O-N 3.39Å; N158-I160 PolarHBondContact O-N 3.27Å; N158-H161 PolarHBondContact O-N 3.21Å; N158-H161 VanDerWaalsContact O-N 3.1Å |
| 159 | D | 77.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -60.5 | -31.2 | 179.3 | -67.9 | -9.4 | 0 | 0 | 0 | 111.8 | Y116 K118 K119 Y120 T156 G157 H161 L162 L165 | Y116-D159 VanDerWaalsContact CE1-OD2 3.25Å; Y116-D159 WeakPolarHBondContact CE1-OD2 3.32Å; Y116-D159 PolarHBondContact OH-OD2 3.17Å; K118-D159 WeakPolarHBondContact CA-OD2 3.41Å; K118-D159 WeakPolarHBondContact CG-OD2 3.27Å; K119-D159 PolarHBondContact N-OD1 2.99Å; K119-D159 PolarHBondContact N-OD2 2.92Å; Y120-D159 VanDerWaalsContact CA-OD1 3.3Å; Y120-D159 WeakPolarHBondContact CA-OD1 3.35Å; Y120-D159 VanDerWaalsContact CB-OD1 3.24Å; Y120-D159 WeakPolarHBondContact CB-OD1 3.48Å; Y120-D159 PolarHBondContact N-OD1 2.97Å; T156-D159 VanDerWaalsContact O-CB 3.27Å; T156-D159 WeakPolarHBondContact O-CB 3.34Å; T156-D159 PolarHBondContact O-N 3.27Å; T156-D159 PolarHBondContact OG1-OD2 3.07Å; G157-D159 PolarHBondContact O-N 3.24Å; G157-D159 VanDerWaalsContact O-N 3.08Å; D159-H161 PolarHBondContact O-N 3.16Å; D159-H161 VanDerWaalsContact O-N 3.17Å; D159-L162 VanDerWaalsContact O-CB 3.31Å; D159-L162 WeakPolarHBondContact O-CB 3.42Å; D159-L162 PolarHBondContact O-N 3.29Å; D159-L165 HydrophobicContact CB-CD2 4.11Å; D159-L165 WeakPolarHBondContact O-CD2 3.47Å |
| 160 | I | 73.2 | Confident | 78.3 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -64.1 | -21.7 | 179.9 | 75.2 | -172 | 0 | 0 | 0 | 112.3 | G157 N158 L162 | G157-I160 VanDerWaalsContact O-CG1 3.28Å; G157-I160 WeakPolarHBondContact O-CG1 3.43Å; G157-I160 PolarHBondContact O-N 3.25Å; N158-I160 PolarHBondContact O-N 3.27Å; I160-L162 VanDerWaalsContact C-N 3.34Å |
| 161 | H | 74.4 | Confident | 78 | Confident | 118 Ų | 118 | 34.7 Ų | 34.7 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -88.1 | -4.3 | 177.7 | -56.5 | -51.7 | 0 | 0 | 0 | 112.7 | N158 D159 P163 | N158-H161 PolarHBondContact O-N 3.21Å; N158-H161 VanDerWaalsContact O-N 3.1Å; D159-H161 PolarHBondContact O-N 3.16Å; D159-H161 VanDerWaalsContact O-N 3.17Å; H161-P163 VanDerWaalsContact O-CD 3.28Å; H161-P163 WeakPolarHBondContact O-CD 3.37Å |
| 162 | L | 73.1 | Confident | 77.5 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 17% | 0.173 | 22% | 0.217 | C | C | . | . | trans | -78.7 | 113.6 | 174.4 | -62.5 | 175.6 | 0 | 0 | 0 | 109.4 | Y120 D159 I160 Q164 L165 | Y120-L162 HydrophobicContact CD1-CD2 4.32Å; Y120-L162 HydrophobicContact CG-CD1 4.3Å; Y120-L162 HydrophobicContact CG-CD2 4.26Å; D159-L162 VanDerWaalsContact O-CB 3.31Å; D159-L162 WeakPolarHBondContact O-CB 3.42Å; D159-L162 PolarHBondContact O-N 3.29Å; I160-L162 VanDerWaalsContact C-N 3.34Å; L162-Q164 PolarHBondContact O-N 3.42Å; L162-Q164 VanDerWaalsContact O-N 3.15Å; L162-L165 HydrophobicContact CB-CB 4.25Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 3.21Å | ||
| 163 | P | 78.2 | Confident | 76.4 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.3 | -28.2 | 178.3 | 24.6 | -33 | 0 | 0 | 0 | 111.9 | H161 L165 A166 L167 | H161-P163 VanDerWaalsContact O-CD 3.28Å; H161-P163 WeakPolarHBondContact O-CD 3.37Å; P163-L165 VanDerWaalsContact C-N 3.26Å; P163-L165 PolarHBondContact O-N 3.16Å; P163-A166 PolarHBondContact O-N 2.67Å; P163-L167 WeakPolarHBondContact O-CG 3.23Å; P163-L167 PolarHBondContact O-N 3.34Å |
| 164 | Q | 78.7 | Confident | 75 | Confident | 93 Ų | 93 | 44.7 Ų | 44.7 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 176.2 | -62.8 | 78.9 | 6 | 0 | 0 | 112.7 | F137 V139 L162 A168 | F137-Q164 HydrophobicContact CD1-CB 4.21Å; F137-Q164 HydrophobicContact CE1-CB 3.58Å; F137-Q164 HydrophobicContact CZ-CB 4.38Å; V139-Q164 HydrophobicContact CG1-CB 4.34Å; L162-Q164 PolarHBondContact O-N 3.42Å; L162-Q164 VanDerWaalsContact O-N 3.15Å; Q164-A168 WeakPolarHBondContact O-CB 3.3Å; Q164-A168 PolarHBondContact O-N 2.87Å |
| 165 | L | 76.9 | Confident | 73.5 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.8 | -46.1 | 174.5 | -175.7 | 69.5 | 0 | 0 | 0 | 110.7 | Y116 F137 D159 L162 P163 L167 A168 Y169 | Y116-L165 HydrophobicContact CE2-CD1 4.39Å; F137-L165 HydrophobicContact CE2-CB 4.26Å; F137-L165 HydrophobicContact CE2-CD1 3.55Å; F137-L165 HydrophobicContact CZ-CB 4.24Å; F137-L165 HydrophobicContact CZ-CD1 4.1Å; D159-L165 HydrophobicContact CB-CD2 4.11Å; D159-L165 WeakPolarHBondContact O-CD2 3.47Å; L162-L165 HydrophobicContact CB-CB 4.25Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 3.21Å; P163-L165 VanDerWaalsContact C-N 3.26Å; P163-L165 PolarHBondContact O-N 3.16Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 2.76Å; L165-A168 PolarHBondContact O-N 3.03Å; L165-Y169 HydrophobicContact CD1-CD2 4.25Å; L165-Y169 HydrophobicContact CD1-CE2 3.53Å; L165-Y169 HydrophobicContact CD2-CE2 4.18Å; L165-Y169 HydrophobicContact CG-CD2 4.04Å; L165-Y169 HydrophobicContact CG-CE2 3.61Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.48Å; L165-Y169 PolarHBondContact O-N 2.55Å; L165-Y169 VanDerWaalsContact O-N 3.09Å |
| 166 | A | 73.4 | Confident | 72.1 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 33% | 0.331 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P163 Y169 A170 | P163-A166 PolarHBondContact O-N 2.67Å; A166-Y169 PolarHBondContact O-N 3.25Å; A166-A170 PolarHBondContact O-N 3.17Å |
| 167 | L | 77.3 | Confident | 70.9 | Confident | 119 Ų | 119 | 49 Ų | 49 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.4 | -38.6 | 175.7 | -69.9 | 172.7 | 0 | 0 | 0 | 112.5 | P163 L165 A170 A171 | P163-L167 WeakPolarHBondContact O-CG 3.23Å; P163-L167 PolarHBondContact O-N 3.34Å; L165-L167 VanDerWaalsContact C-N 3.33Å; L165-L167 PolarHBondContact O-N 2.76Å; L167-A170 VanDerWaalsContact O-CB 3.32Å; L167-A170 WeakPolarHBondContact O-CB 3.39Å; L167-A170 PolarHBondContact O-N 2.88Å; L167-A171 WeakPolarHBondContact O-CB 3.12Å; L167-A171 PolarHBondContact O-N 2.71Å |
| 168 | A | 78.5 | Confident | 69.6 | Low | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F137 V139 P142 Q164 L165 A171 A172 | F137-A168 HydrophobicContact CZ-CB 4.13Å; V139-A168 HydrophobicContact CB-CB 4.48Å; V139-A168 VanDerWaalsContact O-CB 3.28Å; V139-A168 WeakPolarHBondContact O-CB 3.42Å; P142-A168 HydrophobicContact CB-CB 4.28Å; P142-A168 HydrophobicContact CG-CB 4.49Å; Q164-A168 WeakPolarHBondContact O-CB 3.3Å; Q164-A168 PolarHBondContact O-N 2.87Å; L165-A168 PolarHBondContact O-N 3.03Å; A168-A171 PolarHBondContact O-N 2.76Å; A168-A172 PolarHBondContact O-N 2.9Å; A168-A172 VanDerWaalsContact O-N 3.13Å |
| 169 | Y | 79.8 | Confident | 68.6 | Low | 6 Ų | 6 | 47 Ų | 47 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 174.6 | -73.2 | -56 | 0 | 0 | 0 | 112.9 | P142 V143 I144 G153 I154 L165 A166 A172 A175 T178 | P142-Y169 HydrophobicContact CB-CD1 3.65Å; P142-Y169 HydrophobicContact CB-CE1 3.42Å; P142-Y169 VanDerWaalsContact CB-CE1 3.42Å; P142-Y169 HydrophobicContact CB-CG 4.43Å; V143-Y169 PolarHBondContact N-OH 2.72Å; V143-Y169 WeakPolarHBondContact O-CE1 3.27Å; V143-Y169 PolarHBondContact O-OH 3.17Å; V143-Y169 VanDerWaalsContact O-OH 3.11Å; I144-Y169 HydrophobicContact CD1-CD1 4.48Å; I144-Y169 HydrophobicContact CG1-CD1 4.02Å; I144-Y169 HydrophobicContact CG1-CE1 3.94Å; G153-Y169 VanDerWaalsContact CA-CE1 3.43Å; I154-Y169 VanDerWaalsContact N-CZ 3.28Å; I154-Y169 PolarHBondContact N-OH 2.93Å; I154-Y169 PolarHBondContact O-OH 3.18Å; L165-Y169 HydrophobicContact CD1-CD2 4.25Å; L165-Y169 HydrophobicContact CD1-CE2 3.53Å; L165-Y169 HydrophobicContact CD2-CE2 4.18Å; L165-Y169 HydrophobicContact CG-CD2 4.04Å; L165-Y169 HydrophobicContact CG-CE2 3.61Å; L165-Y169 VanDerWaalsContact O-CD2 3.24Å; L165-Y169 WeakPolarHBondContact O-CD2 3.48Å; L165-Y169 PolarHBondContact O-N 2.55Å; L165-Y169 VanDerWaalsContact O-N 3.09Å; A166-Y169 PolarHBondContact O-N 3.25Å; Y169-A172 PolarHBondContact O-N 2.67Å; Y169-A175 HydrophobicContact CD1-CB 4.1Å; Y169-A175 HydrophobicContact CG-CB 4.49Å; Y169-T178 HydrophobicContact CD2-CG2 4.09Å; Y169-T178 HydrophobicContact CE2-CG2 4.21Å |
| 170 | A | 71.3 | Confident | 67.1 | Low | 40 Ų | 40 | 47.2 Ų | 47.2 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A166 L167 A172 D173 M208 | A166-A170 PolarHBondContact O-N 3.17Å; L167-A170 VanDerWaalsContact O-CB 3.32Å; L167-A170 WeakPolarHBondContact O-CB 3.39Å; L167-A170 PolarHBondContact O-N 2.88Å; A170-A172 VanDerWaalsContact C-N 3.28Å; A170-A172 PolarHBondContact O-N 3.31Å; A170-D173 PolarHBondContact O-N 3.08Å; A170-M208 HydrophobicContact CB-CE 3.16Å; A170-M208 HydrophobicContact CB-SD 3.78Å |
| 171 | A | 74.8 | Confident | 65.8 | Low | 87 Ų | 87 | 46.1 Ų | 46.1 | 72% | 0.719 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.1 | -24.6 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L167 A168 D173 | L167-A171 WeakPolarHBondContact O-CB 3.12Å; L167-A171 PolarHBondContact O-N 2.71Å; A168-A171 PolarHBondContact O-N 2.76Å; A171-D173 PolarHBondContact O-N 3.11Å |
| 172 | A | 70.2 | Confident | 64.4 | Low | 34 Ų | 34 | 40.5 Ų | 40.5 | 28% | 0.281 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P142 I144 A168 Y169 A170 S174 | P142-A172 HydrophobicContact CG-CB 3.84Å; I144-A172 HydrophobicContact CD1-CB 3.68Å; A168-A172 PolarHBondContact O-N 2.9Å; A168-A172 VanDerWaalsContact O-N 3.13Å; Y169-A172 PolarHBondContact O-N 2.67Å; A170-A172 VanDerWaalsContact C-N 3.28Å; A170-A172 PolarHBondContact O-N 3.31Å; A172-S174 WeakPolarHBondContact O-CB 3.28Å; A172-S174 PolarHBondContact O-N 3.27Å; A172-S174 PolarHBondContact O-OG 2.74Å |
| 173 | D | 61.2 | Low | 62.7 | Low | 157 Ų | 157 | 39.6 Ų | 39.6 | 84% | 0.84 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | 30.3 | 174.8 | -160.6 | 31.9 | 0 | 0 | 0 | 114.7 | A170 A171 | A170-D173 PolarHBondContact O-N 3.08Å; A171-D173 PolarHBondContact O-N 3.11Å |
| 174 | S | 55.3 | Low | 60.5 | Low | 32 Ų | 32 | 38 Ų | 38 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | trans | -141.5 | -28.3 | -174.5 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | I144 D151 A172 E176 | I144-S174 WeakPolarHBondContact CD1-OG 3.35Å; D151-S174 WeakPolarHBondContact CB-O 3.24Å; A172-S174 WeakPolarHBondContact O-CB 3.28Å; A172-S174 PolarHBondContact O-N 3.27Å; A172-S174 PolarHBondContact O-OG 2.74Å; S174-E176 PolarHBondContact O-N 2.72Å | ||
| 175 | A | 53.7 | Low | 58 | Low | 12 Ų | 12 | 38.7 Ų | 38.7 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | trans | -77.4 | 107.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | I144 Y169 | I144-A175 HydrophobicContact CD1-CB 4.3Å; I144-A175 HydrophobicContact CG1-CB 4.47Å; Y169-A175 HydrophobicContact CD1-CB 4.1Å; Y169-A175 HydrophobicContact CG-CB 4.49Å | ||
| 176 | E | 54.5 | Low | 55.5 | Low | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -86.5 | -19.3 | 173.7 | -42.6 | 169.1 | 135.1 | 0 | 0 | 111.5 | V150 D151 S174 | V150-E176 HydrophobicContact CG2-CB 3.81Å; D151-E176 PolarHBondContact O-N 3.46Å; S174-E176 PolarHBondContact O-N 2.72Å |
| 177 | E | 53.5 | Low | 53 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 139 | 173.7 | -162.7 | 161.6 | -161.5 | 0 | 0 | 109.3 | F8 V150 D151 I152 G153 I179 | F8-E177 WeakPolarHBondContact CZ-OE2 3.44Å; V150-E177 HydrophobicContact CG1-CB 4.5Å; V150-E177 HydrophobicContact CG2-CB 3.62Å; D151-E177 PolarHBondContact O-N 3.2Å; D151-E177 VanDerWaalsContact O-N 3.1Å; I152-E177 CarbonylContact C-O 3.57Å; I152-E177 WeakPolarHBondContact CA-O 3.3Å; G153-E177 PolarHBondContact N-O 3.25Å; E177-I179 HydrophobicContact CG-CG1 4.14Å |
| 178 | T | 51.3 | Low | 50.4 | Low | 22 Ų | 22 | 46 Ų | 46 | 14% | 0.135 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.1 | 168.7 | -59 | 0 | 0 | 0 | 0 | 106.7 | G153 Y169 | G153-T178 CarbonylContact O-C 3.54Å; Y169-T178 HydrophobicContact CD2-CG2 4.09Å; Y169-T178 HydrophobicContact CE2-CG2 4.21Å |
| 179 | I | 52.9 | Low | 47.9 | Very low | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 109.9 | 176.2 | -60.6 | 180 | 0 | 0 | 0 | 107.6 | V44 I87 I152 G153 E177 C203 | V44-I179 HydrophobicContact CG2-CG2 4.06Å; I87-I179 HydrophobicContact CD1-CB 4.27Å; I87-I179 HydrophobicContact CD1-CD1 4.5Å; I87-I179 HydrophobicContact CD1-CG2 4.06Å; I152-I179 HydrophobicContact CB-CD1 4.41Å; I152-I179 HydrophobicContact CD1-CD1 3.78Å; I152-I179 HydrophobicContact CG1-CD1 3.83Å; I152-I179 HydrophobicContact CG1-CG1 4.38Å; I152-I179 HydrophobicContact CG2-CB 3.45Å; I152-I179 VanDerWaalsContact CG2-CB 3.45Å; I152-I179 HydrophobicContact CG2-CD1 3.71Å; I152-I179 HydrophobicContact CG2-CG1 3.57Å; G153-I179 CarbonylContact O-C 3.58Å; G153-I179 PolarHBondContact O-N 3.04Å; G153-I179 VanDerWaalsContact O-O 3.05Å; E177-I179 HydrophobicContact CG-CG1 4.14Å; I179-C203 HydrophobicContact CG2-CB 4.28Å; I179-C203 VanDerWaalsContact CG2-SG 3.58Å |
| 180 | G | 47.5 | Very low | 45.2 | Very low | 6 Ų | 6 | 54 Ų | 54 | 6% | 0.062 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 133.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G155 I202 | G155-G180 CarbonylContact O-C 3.57Å; G155-G180 WeakPolarHBondContact O-CA 3.32Å; G180-I202 VanDerWaalsContact O-O 3.13Å |
| 181 | C | 45.6 | Very low | 43 | Very low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 90.2 | 159.9 | -80.7 | 0 | 0 | 0 | 0 | 108.3 | V44 I87 G155 T156 G157 | V44-C181 WeakPolarHBondContact CG1-SG 3.38Å; I87-C181 WeakPolarHBondContact CG2-SG 3.28Å; G155-C181 PolarHBondContact O-N 3.21Å; T156-C181 VanDerWaalsContact CA-O 3.27Å; T156-C181 WeakPolarHBondContact CA-O 3.49Å; T156-C181 HydrophobicContact CG2-CB 4.45Å; G157-C181 PolarHBondContact N-O 2.7Å; G157-C181 VanDerWaalsContact N-O 3.09Å |
| 182 | S | 45.5 | Very low | 40.8 | Very low | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -99.4 | 142.2 | 167.2 | 60.4 | 0 | 0 | 0 | 0 | 109.7 | V201 I202 | S182-V201 VanDerWaalsContact O-CA 3.23Å; S182-V201 WeakPolarHBondContact O-CA 3.42Å; S182-V201 WeakPolarHBondContact O-CG2 3.16Å; S182-I202 WeakPolarHBondContact OG-CB 3.47Å; S182-I202 PolarHBondContact OG-N 3.2Å | ||
| 183 | T | 37.3 | Very low | 38.5 | Very low | 14 Ų | 14 | 64 Ų | 64 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | trans | -116 | 106.1 | 145.5 | -60.6 | 0 | 0 | 0 | 0 | 104.4 | P46 E47 I185 N199 | P46-T183 VanDerWaalsContact CA-OG1 3.32Å; P46-T183 WeakPolarHBondContact CA-OG1 3.34Å; P46-T183 WeakPolarHBondContact CB-OG1 3.48Å; E47-T183 PolarHBondContact N-OG1 3.29Å; T183-I185 HydrophobicContact CG2-CG1 3.93Å; T183-I185 PolarHBondContact O-N 3.05Å; T183-N199 HydrophobicContact CG2-CB 4.37Å | ||
| 184 | I | 31.3 | Very low | 36.8 | Very low | 44 Ų | 44 | 61.8 Ų | 61.8 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | trans | -74.6 | 84.9 | 175 | -62.1 | -171.3 | 0 | 0 | 0 | 107.5 | S186 L192 K198 I202 | I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 WeakPolarHBondContact CG2-OG 3.08Å; I184-S186 PolarHBondContact O-N 2.99Å; I184-L192 HydrophobicContact CD1-CD1 3.87Å; I184-K198 VanDerWaalsContact O-O 3.05Å; I184-I202 HydrophobicContact CD1-CD1 3.47Å; I184-I202 VanDerWaalsContact CD1-CD1 3.47Å; I184-I202 HydrophobicContact CD1-CG1 4.44Å; I184-I202 HydrophobicContact CG1-CD1 4.36Å | ||
| 185 | I | 26.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 63.2 Ų | 63.2 | 56% | 0.559 | 36% | 0.355 | S | S | * | . | trans | -81.5 | 86.2 | 157.9 | -54.3 | 180 | 0 | 0 | 0 | 105.9 | T183 | T183-I185 HydrophobicContact CG2-CG1 3.93Å; T183-I185 PolarHBondContact O-N 3.05Å | ||
| 186 | S | 24.4 | Very low | 34.1 | Very low | 32 Ų | 32 | 72.1 Ų | 72.1 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | trans | -134.6 | 141.5 | -178.3 | 96.2 | 0 | 0 | 0 | 0 | 111.2 | I184 W188 | I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 WeakPolarHBondContact CG2-OG 3.08Å; I184-S186 PolarHBondContact O-N 2.99Å; S186-W188 PolarHBondContact O-N 3.16Å; S186-W188 WeakPolarHBondContact OG-CB 3.1Å; S186-W188 PolarHBondContact OG-N 3.12Å; S186-W188 VanDerWaalsContact OG-N 3.07Å | ||
| 187 | P | 20.6 | Very low | 33.1 | Very low | 98 Ų | 98 | 72.1 Ų | 72.1 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -71.2 | 3 | 160.5 | -6.1 | 19.9 | 0 | 0 | 0 | 111.8 | V124 G189 | V124-P187 HydrophobicContact CB-CG 4.26Å; V124-P187 HydrophobicContact CG1-CG 3.85Å; P187-G189 PolarHBondContact O-N 2.93Å |
| 188 | W | 23.1 | Very low | 32.2 | Very low | 186 Ų | 186 | 78.3 Ų | 78.3 | 71% | 0.705 | 42% | 0.421 | S | S | * | . | trans | -86.3 | 49.5 | -174.4 | -61 | 89.2 | 0 | 0 | 0 | 111.9 | S186 D190 | S186-W188 PolarHBondContact O-N 3.16Å; S186-W188 WeakPolarHBondContact OG-CB 3.1Å; S186-W188 PolarHBondContact OG-N 3.12Å; S186-W188 VanDerWaalsContact OG-N 3.07Å; W188-D190 PolarHBondContact O-N 3.18Å | ||
| 189 | G | 24.7 | Very low | 31.5 | Very low | 50 Ų | 50 | 79.2 Ų | 79.2 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 5.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P187 | P187-G189 PolarHBondContact O-N 2.93Š|
| 190 | D | 23.6 | Very low | 30.7 | Very low | 131 Ų | 131 | 81.3 Ų | 81.3 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -12.7 | -178 | -77.5 | -39.7 | 0 | 0 | 0 | 114.7 | W188 | W188-D190 PolarHBondContact O-N 3.18Š|
| 191 | C | 25.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 81.3 Ų | 81.3 | 87% | 0.872 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -18.7 | 171.7 | -96.7 | 0 | 0 | 0 | 0 | 114.1 | ||
| 192 | L | 28.2 | Very low | 30.2 | Very low | 72 Ų | 72 | 82.4 Ų | 82.4 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -117.6 | 70.7 | 172.4 | -73.2 | 160.7 | 0 | 0 | 0 | 108.5 | I184 S194 I202 | I184-L192 HydrophobicContact CD1-CD1 3.87Å; L192-S194 PolarHBondContact O-N 3.35Å; L192-I202 HydrophobicContact CD1-CD1 3.66Å; L192-I202 HydrophobicContact CD2-CD1 4.34Å |
| 193 | K | 23 | Very low | 30 | Very low | 169 Ų | 169 | 83.3 Ų | 83.3 | 74% | 0.735 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 66 | 177.6 | -70.1 | -175.1 | 179.2 | -179.6 | 0 | 111.1 | ||
| 194 | S | 25 | Very low | 30.1 | Very low | 110 Ų | 110 | 86.3 Ų | 86.3 | 77% | 0.769 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -167.7 | -11.8 | 160.3 | 63.3 | 0 | 0 | 0 | 0 | 117.5 | L192 | L192-S194 PolarHBondContact O-N 3.35Š|
| 195 | T | 28.4 | Very low | 30.4 | Very low | 62 Ų | 62 | 89 Ų | 89 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | trans | -107.1 | 117.2 | -173.6 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | D197 E200 | T195-D197 PolarHBondContact O-N 3.29Å; T195-E200 VanDerWaalsContact CB-OE2 3.3Å; T195-E200 WeakPolarHBondContact CB-OE2 3.45Å; T195-E200 WeakPolarHBondContact CG2-OE2 3.25Å; T195-E200 PolarHBondContact OG1-OE2 3.23Å | ||
| 196 | K | 24.2 | Very low | 30.7 | Very low | 200 Ų | 200 | 88.5 Ų | 88.5 | 87% | 0.87 | 46% | 0.462 | S | S | * | . | trans | -75.8 | -2.9 | -178.3 | -86 | -179.1 | 175.8 | 176.9 | 0 | 113.8 | ||||
| 197 | D | 32.4 | Very low | 30.9 | Very low | 71 Ų | 71 | 89.8 Ų | 89.8 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | trans | -116.2 | 121.7 | -173.4 | -62.3 | -37.6 | 0 | 0 | 0 | 112 | T195 N199 | T195-D197 PolarHBondContact O-N 3.29Å; D197-N199 VanDerWaalsContact C-N 3.26Å; D197-N199 PolarHBondContact O-N 3.21Å | ||
| 198 | K | 34.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 88.9 Ų | 88.9 | 60% | 0.596 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -83.9 | 18.7 | -167.3 | -63.9 | -177 | 177.5 | -178.1 | 0 | 115 | I184 | I184-K198 VanDerWaalsContact O-O 3.05Š|
| 199 | N | 37.1 | Very low | 31.5 | Very low | 41 Ų | 41 | 86 Ų | 86 | 22% | 0.219 | 46% | 0.464 | C | S | . | . | trans | -130.6 | 51.8 | -179.8 | -76.1 | 0.5 | 0 | 0 | 0 | 110.5 | V15 T183 D197 | V15-N199 PolarHBondContact O-ND2 3.1Å; T183-N199 HydrophobicContact CG2-CB 4.37Å; D197-N199 VanDerWaalsContact C-N 3.26Å; D197-N199 PolarHBondContact O-N 3.21Å | ||
| 200 | E | 35.8 | Very low | 31.8 | Very low | 47 Ų | 47 | 91.1 Ų | 91.1 | 22% | 0.22 | 48% | 0.48 | C | S | . | . | trans | -88.2 | 125.9 | -178.6 | -159.9 | 166.6 | -167.3 | 0 | 0 | 110.7 | T195 I202 | T195-E200 VanDerWaalsContact CB-OE2 3.3Å; T195-E200 WeakPolarHBondContact CB-OE2 3.45Å; T195-E200 WeakPolarHBondContact CG2-OE2 3.25Å; T195-E200 PolarHBondContact OG1-OE2 3.23Å; E200-I202 HydrophobicContact CG-CG1 4.29Å | ||
| 201 | V | 42.1 | Very low | 32.2 | Very low | 6 Ų | 6 | 88.3 Ų | 88.3 | 4% | 0.036 | 46% | 0.464 | C | S | . | . | trans | -87.9 | 113.4 | 165.6 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | V12 V44 P46 S182 | V12-V201 HydrophobicContact CG1-CB 3.37Å; V12-V201 HydrophobicContact CG1-CG1 3.55Å; V12-V201 HydrophobicContact CG1-CG2 4.18Å; V44-V201 HydrophobicContact CG1-CG1 3.95Å; P46-V201 HydrophobicContact CB-CG2 3.82Å; S182-V201 VanDerWaalsContact O-CA 3.23Å; S182-V201 WeakPolarHBondContact O-CA 3.42Å; S182-V201 WeakPolarHBondContact O-CG2 3.16Å | ||
| 202 | I | 41.2 | Very low | 32.2 | Very low | 23 Ų | 23 | 86.2 Ų | 86.2 | 12% | 0.118 | 46% | 0.464 | C | S | . | . | trans | -97.9 | 105.9 | 179.2 | -55.4 | -176.9 | 0 | 0 | 0 | 108.3 | G180 S182 I184 L192 E200 E204 | G180-I202 VanDerWaalsContact O-O 3.13Å; S182-I202 WeakPolarHBondContact OG-CB 3.47Å; S182-I202 PolarHBondContact OG-N 3.2Å; I184-I202 HydrophobicContact CD1-CD1 3.47Å; I184-I202 VanDerWaalsContact CD1-CD1 3.47Å; I184-I202 HydrophobicContact CD1-CG1 4.44Å; I184-I202 HydrophobicContact CG1-CD1 4.36Å; L192-I202 HydrophobicContact CD1-CD1 3.66Å; L192-I202 HydrophobicContact CD2-CD1 4.34Å; E200-I202 HydrophobicContact CG-CG1 4.29Å; I202-E204 HydrophobicContact CG2-CB 4.19Å; I202-E204 HydrophobicContact CG2-CG 3.56Å; I202-E204 PolarHBondContact O-N 3.08Å | ||
| 203 | C | 41.9 | Very low | 32.7 | Very low | 18 Ų | 18 | 84 Ų | 84 | 12% | 0.122 | 46% | 0.457 | C | S | . | . | trans | -88.4 | 92 | 163.6 | -66.9 | 0 | 0 | 0 | 0 | 108.3 | I179 M218 | I179-C203 HydrophobicContact CG2-CB 4.28Å; I179-C203 VanDerWaalsContact CG2-SG 3.58Å; C203-M218 HydrophobicContact CB-CE 3.06Å; C203-M218 HydrophobicContact CB-SD 3.54Å; C203-M218 VanDerWaalsContact CB-SD 3.54Å | ||
| 204 | E | 38.9 | Very low | 33.4 | Very low | 77 Ų | 77 | 83.7 Ų | 83.7 | 36% | 0.36 | 46% | 0.455 | S | S | . | . | trans | -85.5 | 126.4 | 177.2 | -101.4 | 168.4 | -151.6 | 0 | 0 | 110.9 | I202 F206 | I202-E204 HydrophobicContact CG2-CB 4.19Å; I202-E204 HydrophobicContact CG2-CG 3.56Å; I202-E204 PolarHBondContact O-N 3.08Å; E204-F206 HydrophobicContact CB-CD2 4.18Å; E204-F206 HydrophobicContact CB-CE2 3.81Å; E204-F206 PolarHBondContact O-N 2.81Å; E204-F206 VanDerWaalsContact O-N 3.15Å; E204-F206 WeakPolarHBondContact OE2-CE2 3.35Å; E204-F206 WeakPolarHBondContact OE2-CZ 3.44Å | ||
| 205 | K | 36.9 | Very low | 34 | Very low | 100 Ų | 100 | 80.2 Ų | 80.2 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | trans | -77.9 | 97.1 | 171.5 | -173.4 | 177 | -177.2 | -172.4 | 0 | 109.7 | C207 A213 | K205-C207 VanDerWaalsContact C-N 3.33Å; K205-C207 WeakPolarHBondContact CE-SG 3.41Å; K205-C207 HydrophobicContact CG-CB 4.32Å; K205-C207 PolarHBondContact O-N 3.07Å; K205-C207 VanDerWaalsContact O-N 3.12Å; K205-A213 PolarHBondContact NZ-O 2.8Å | ||
| 206 | F | 33.8 | Very low | 34.4 | Very low | 99 Ų | 99 | 83.9 Ų | 83.9 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | trans | -80.3 | 85.7 | 162.8 | -74.4 | -84.8 | 0 | 0 | 0 | 109.1 | E204 M208 | E204-F206 HydrophobicContact CB-CD2 4.18Å; E204-F206 HydrophobicContact CB-CE2 3.81Å; E204-F206 PolarHBondContact O-N 2.81Å; E204-F206 VanDerWaalsContact O-N 3.15Å; E204-F206 WeakPolarHBondContact OE2-CE2 3.35Å; E204-F206 WeakPolarHBondContact OE2-CZ 3.44Å; F206-M208 PolarHBondContact O-N 3.26Å | ||
| 207 | C | 28.1 | Very low | 35.1 | Very low | 60 Ų | 60 | 80.8 Ų | 80.8 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | trans | -77.6 | 112.1 | 173.8 | -130.4 | 0 | 0 | 0 | 0 | 108.9 | K205 | K205-C207 VanDerWaalsContact C-N 3.33Å; K205-C207 WeakPolarHBondContact CE-SG 3.41Å; K205-C207 HydrophobicContact CG-CB 4.32Å; K205-C207 PolarHBondContact O-N 3.07Å; K205-C207 VanDerWaalsContact O-N 3.12Å | ||
| 208 | M | 28 | Very low | 35.4 | Very low | 78 Ų | 78 | 80.9 Ų | 80.9 | 38% | 0.384 | 43% | 0.427 | S | S | . | . | trans | -56.7 | 132.8 | 157.4 | -66.9 | -87.8 | 155.4 | 0 | 0 | 107.1 | A170 F206 D210 L211 | A170-M208 HydrophobicContact CB-CE 3.16Å; A170-M208 HydrophobicContact CB-SD 3.78Å; F206-M208 PolarHBondContact O-N 3.26Å; M208-D210 PolarHBondContact O-N 3.26Å; M208-L211 HydrophobicContact CB-CD1 4.25Å; M208-L211 PolarHBondContact O-N 3.33Å | ||
| 209 | P | 29.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 78.3 Ų | 78.3 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -13.9 | -167.8 | 15.9 | -28.1 | 0 | 0 | 0 | 115.7 | ||
| 210 | D | 30.4 | Very low | 35.4 | Very low | 157 Ų | 157 | 79.9 Ų | 79.9 | 84% | 0.84 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | 1 | -176.6 | -73.8 | -36.2 | 0 | 0 | 0 | 115.6 | M208 | M208-D210 PolarHBondContact O-N 3.26Š|
| 211 | L | 30.5 | Very low | 35.5 | Very low | 71 Ų | 71 | 81.6 Ų | 81.6 | 37% | 0.372 | 44% | 0.436 | S | S | . | . | trans | -105.9 | 92.7 | -178.8 | -74 | 165.2 | 0 | 0 | 0 | 111.4 | M208 A213 | M208-L211 HydrophobicContact CB-CD1 4.25Å; M208-L211 PolarHBondContact O-N 3.33Å; L211-A213 PolarHBondContact O-N 2.77Å | ||
| 212 | G | 27 | Very low | 35 | Very low | 85 Ų | 85 | 85.9 Ų | 85.9 | 88% | 0.876 | 46% | 0.457 | S | S | * | . | trans | -69.4 | 88.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 213 | A | 37.5 | Very low | 34.5 | Very low | 26 Ų | 26 | 86.7 Ų | 86.7 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | trans | -112.6 | 130.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K205 L211 | K205-A213 PolarHBondContact NZ-O 2.8Å; L211-A213 PolarHBondContact O-N 2.77Å | ||
| 214 | K | 37.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 92.1 Ų | 92.1 | 71% | 0.709 | 50% | 0.495 | S | S | * | . | trans | -97.9 | 77.1 | -179.1 | -68.1 | 178.7 | -180 | 173.1 | 0 | 111.1 | K216 | K214-K216 PolarHBondContact O-N 2.97Š| ||
| 215 | C | 38.5 | Very low | 33.1 | Very low | 37 Ų | 37 | 98.3 Ų | 98.3 | 25% | 0.25 | 52% | 0.524 | C | S | . | . | trans | -76.7 | 111.4 | 160.1 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 216 | K | 36.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 97.1 Ų | 97.1 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | trans | -90.9 | -23.8 | -172.6 | -90.8 | -172.7 | -178.8 | 167.9 | 0 | 114.3 | E7 K214 | E7-K216 WeakPolarHBondContact OE1-CD 3.2Å; E7-K216 WeakPolarHBondContact OE1-CE 3.41Å; E7-K216 IonicContact OE1-NZ 3.26Å; E7-K216 PolarHBondContact OE1-NZ 2.9Å; E7-K216 IonicContact OE2-NZ 3.34Å; K214-K216 PolarHBondContact O-N 2.97Å | ||
| 217 | K | 38.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 100.9 Ų | 100.9 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | trans | -152.7 | 123.3 | -177.8 | -69.3 | -173 | -178.3 | 175.6 | 0 | 111.3 | ||||
| 218 | M | 39.4 | Very low | 31.6 | Very low | 72 Ų | 72 | 101.5 Ų | 101.5 | 36% | 0.355 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 116.2 | 165 | -145.2 | 162 | -128.8 | 0 | 0 | 106.3 | V10 C203 | V10-M218 HydrophobicContact CB-CE 4.26Å; V10-M218 HydrophobicContact CB-CG 4.49Å; V10-M218 HydrophobicContact CG1-CE 4.32Å; V10-M218 HydrophobicContact CG2-CE 4.43Å; C203-M218 HydrophobicContact CB-CE 3.06Å; C203-M218 HydrophobicContact CB-SD 3.54Å; C203-M218 VanDerWaalsContact CB-SD 3.54Å |
| 219 | H | 38.2 | Very low | 31.2 | Very low | 83 Ų | 83 | 108.6 Ų | 108.6 | 38% | 0.384 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 102.7 | 177.2 | -78.7 | -72.6 | 0 | 0 | 0 | 108.3 | V10 V12 | V10-H219 PolarHBondContact O-N 2.84Å; V12-H219 PolarHBondContact N-O 3.37Å |
| 220 | T | 33.6 | Very low | 31.1 | Very low | 74 Ų | 74 | 114 Ų | 114 | 45% | 0.454 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.4 | 170 | -28.6 | 0 | 0 | 0 | 0 | 108 | V12 | V12-T220 HydrophobicContact CB-CG2 4.44Å; V12-T220 HydrophobicContact CG1-CG2 4.39Å |
| 221 | H | 37.3 | Very low | 31.1 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 38% | 0.384 | 60% | 0.604 | S | S | . | * | trans | -104 | 115.4 | 171.9 | -89.4 | -69.6 | 0 | 0 | 0 | 110.2 | L38 G223 | L38-H221 WeakPolarHBondContact CD1-NE2 3.3Å; H221-G223 PolarHBondContact O-N 2.83Å | ||
| 222 | I | 32.7 | Very low | 31.1 | Very low | 96 Ų | 96 | 114.1 Ų | 114.1 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | trans | -87.2 | 99.9 | 170.1 | -47.5 | -171.3 | 0 | 0 | 0 | 106.7 | Q14 E224 | Q14-I222 VanDerWaalsContact OE1-CG1 3.3Å; I222-E224 PolarHBondContact O-N 3Å | ||
| 223 | G | 29.7 | Very low | 31.4 | Very low | 40 Ų | 40 | 115.7 Ų | 115.7 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | trans | -83.7 | 73.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | H221 | H221-G223 PolarHBondContact O-N 2.83Š| ||
| 224 | E | 28.7 | Very low | 31 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | trans | -110.9 | 109.5 | 160.1 | -73.2 | -165.3 | 159.4 | 0 | 0 | 108.5 | I222 A226 | I222-E224 PolarHBondContact O-N 3Å; E224-A226 PolarHBondContact O-N 2.94Å | ||
| 225 | Q | 22.7 | Very low | 30.6 | Very low | 207 Ų | 207 | 118.3 Ų | 118.3 | 97% | 0.967 | 62% | 0.62 | S | S | * | * | trans | -65.3 | 95.6 | 167.3 | -76.8 | -172.5 | -17.8 | 0 | 0 | 109.3 | ||||
| 226 | A | 23.7 | Very low | 30.1 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 65% | 0.645 | S | S | * | * | trans | -171.6 | 108.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E224 | E224-A226 PolarHBondContact O-N 2.94Š| ||
| 227 | I | 22.4 | Very low | 29.6 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 91% | 0.913 | 65% | 0.647 | S | S | * | * | trans | 66.1 | 112.2 | 135.1 | -48.3 | 164.2 | 0 | 0 | 0 | 118.1 | ||||
| 228 | G | 21.6 | Very low | 29 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 74% | 0.742 | 65% | 0.652 | S | S | * | * | trans | 164.5 | 104.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 229 | Y | 19.7 | Very low | 28.1 | Very low | 227 Ų | 227 | 125.8 Ų | 125.8 | 89% | 0.89 | 68% | 0.677 | S | S | * | * | trans | -67 | 157.5 | 171.1 | -88.7 | -103.8 | 0 | 0 | 0 | 112.5 | ||||
| 230 | I | 27 | Very low | 27.2 | Very low | 242 Ų | 242 | 129.7 Ų | 129.7 | 100% | 1.241 | 70% | 0.703 | S | S | * | * | trans | 95.3 | 0 | 168.5 | -44.7 | 161 | 0 | 0 | 0 | 114.7 |
Retrieved 230 of 230 residues in 294.4 ms
(Link to these results)