| 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 | N | 94.1 | Very high | 95.3 | Very high | 189 Ų | 189 | 67.4 Ų | 67.4 | 100% | 1.011 | 34% | 0.336 | S | S | * | . | 0 | 115.9 | 0 | -62.3 | -23.2 | 0 | 0 | 0 | 110.6 | L142 | N1-L142 WeakPolarHBondContact O-CD2 3.43Š| |||
| 2 | Y | 95.8 | Very high | 95.3 | Very high | 51 Ų | 51 | 63.3 Ų | 63.3 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | trans | -115.5 | 96.6 | 176.7 | -155.9 | -60.4 | 0 | 0 | 0 | 108.2 | L4 I16 V20 L135 I138 K139 L142 | Y2-L4 HydrophobicContact CD1-CD2 3.52Å; Y2-L4 HydrophobicContact CD1-CG 4.02Å; Y2-L4 HydrophobicContact CE1-CD2 3.59Å; Y2-L4 PolarHBondContact O-N 3.35Å; Y2-I16 HydrophobicContact CD1-CD1 4.11Å; Y2-I16 HydrophobicContact CE1-CD1 3.71Å; Y2-I16 HydrophobicContact CE2-CB 4Å; Y2-I16 HydrophobicContact CE2-CD1 4.24Å; Y2-I16 VanDerWaalsContact OH-CG2 3.29Å; Y2-I16 WeakPolarHBondContact OH-CG2 3.46Å; Y2-V20 HydrophobicContact CD2-CG2 4.23Å; Y2-V20 HydrophobicContact CE2-CG2 4.04Å; Y2-L135 HydrophobicContact CE1-CD2 3.9Å; Y2-L135 PolarHBondContact OH-O 2.99Å; Y2-I138 HydrophobicContact CD1-CG2 3.8Å; Y2-I138 HydrophobicContact CD2-CG2 4.17Å; Y2-I138 HydrophobicContact CE1-CB 4.05Å; Y2-I138 HydrophobicContact CE1-CD1 4.39Å; Y2-I138 HydrophobicContact CE1-CG2 3.65Å; Y2-I138 HydrophobicContact CE2-CG2 4.04Å; Y2-I138 HydrophobicContact CG-CG2 4.05Å; Y2-K139 HydrophobicContact CE2-CB 4.43Å; Y2-L142 HydrophobicContact CD2-CD1 3.27Å; Y2-L142 HydrophobicContact CE2-CD1 3.82Å; Y2-L142 HydrophobicContact CG-CD1 3.93Å | ||
| 3 | P | 95.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 62.7 Ų | 62.7 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -70.6 | 132.7 | 178.9 | 27.9 | -32.2 | 0 | 0 | 0 | 109.9 | Y134 I138 | P3-Y134 PolarHBondContact O-OH 3.17Å; P3-I138 HydrophobicContact CG-CD1 3.97Å; P3-I138 WeakPolarHBondContact O-CD1 3.21Å | ||
| 4 | L | 96.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | trans | -124.6 | 157.2 | -179.3 | -65.8 | 175.4 | 0 | 0 | 0 | 110.2 | Y2 I8 Y13 I16 F50 L135 | Y2-L4 HydrophobicContact CD1-CD2 3.52Å; Y2-L4 HydrophobicContact CD1-CG 4.02Å; Y2-L4 HydrophobicContact CE1-CD2 3.59Å; Y2-L4 PolarHBondContact O-N 3.35Å; L4-I8 HydrophobicContact CD1-CD1 3.76Å; L4-I8 HydrophobicContact CD1-CG2 4.46Å; L4-I8 HydrophobicContact CD2-CD1 3.8Å; L4-I8 HydrophobicContact CG-CD1 4.35Å; L4-Y13 HydrophobicContact CD1-CD2 4.23Å; L4-Y13 HydrophobicContact CD1-CE2 3.99Å; L4-I16 HydrophobicContact CD1-CD1 4.43Å; L4-I16 HydrophobicContact CD2-CD1 3.84Å; L4-F50 HydrophobicContact CB-CE1 4.2Å; L4-F50 HydrophobicContact CB-CZ 3.79Å; L4-F50 HydrophobicContact CD1-CE2 4Å; L4-F50 HydrophobicContact CD1-CZ 3.85Å; L4-F50 HydrophobicContact CG-CZ 4.46Å; L4-L135 HydrophobicContact CD2-CD2 3.68Å | ||
| 5 | R | 95.3 | Very high | 95.5 | Very high | 120 Ų | 120 | 61.5 Ų | 61.5 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | trans | -100.8 | 170.4 | 170.6 | -61.7 | 179.7 | 176.7 | -175.7 | -3.5 | 109.8 | Q129 N130 Y134 | R5-Q129 HydrophobicContact CB-CB 3.97Å; R5-N130 PolarHBondContact N-OD1 3.32Å; R5-N130 PolarHBondContact O-ND2 2.97Å; R5-Y134 HydrophobicContact CG-CE1 4.15Å | ||
| 6 | D | 95.3 | Very high | 95.5 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 150.6 | -178.5 | -54.4 | -8.6 | 0 | 0 | 0 | 113.2 | C49 M126 Q129 N130 | D6-C49 HydrophobicContact CB-CB 4.26Å; D6-C49 PolarHBondContact OD1-SG 2.83Å; D6-M126 HydrophobicContact CB-CE 3.64Å; D6-Q129 PolarHBondContact O-N 3.13Å; D6-Q129 VanDerWaalsContact O-N 3.09Å; D6-N130 PolarHBondContact O-ND2 3.32Å |
| 7 | G | 94.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 26.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115 | D9 C49 N128 | G7-D9 PolarHBondContact O-N 2.8Å; G7-C49 PolarHBondContact N-O 2.71Å; G7-N128 WeakPolarHBondContact O-CA 3.5Å; G7-N128 WeakPolarHBondContact O-CB 3.4Å; G7-N128 PolarHBondContact O-OD1 3.42Å |
| 8 | I | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -61.5 | 132.7 | 174.9 | -166.8 | 161.2 | 0 | 0 | 0 | 111.1 | L4 Y13 I16 F50 N51 L52 | L4-I8 HydrophobicContact CD1-CD1 3.76Å; L4-I8 HydrophobicContact CD1-CG2 4.46Å; L4-I8 HydrophobicContact CD2-CD1 3.8Å; L4-I8 HydrophobicContact CG-CD1 4.35Å; I8-Y13 HydrophobicContact CD1-CD2 3.91Å; I8-Y13 HydrophobicContact CG1-CD2 4.38Å; I8-Y13 HydrophobicContact CG2-CD2 4.07Å; I8-I16 HydrophobicContact CD1-CD1 3.96Å; I8-F50 HydrophobicContact CG2-CB 4.1Å; I8-F50 HydrophobicContact CG2-CD1 3.9Å; I8-F50 HydrophobicContact CG2-CD2 3.58Å; I8-F50 HydrophobicContact CG2-CE1 4.23Å; I8-F50 HydrophobicContact CG2-CE2 3.94Å; I8-F50 HydrophobicContact CG2-CG 3.59Å; I8-F50 HydrophobicContact CG2-CZ 4.26Å; I8-N51 CarbonylContact O-C 3.51Å; I8-N51 WeakPolarHBondContact O-CA 3.44Å; I8-N51 WeakPolarHBondContact O-CB 3.33Å; I8-N51 PolarHBondContact O-N 2.98Å; I8-N51 VanDerWaalsContact O-N 3.08Å; I8-L52 HydrophobicContact CG2-CD2 4.31Å | ||
| 9 | D | 95 | Very high | 95.6 | Very high | 41 Ų | 41 | 56.8 Ų | 56.8 | 22% | 0.219 | 29% | 0.292 | C | S | . | . | trans | -94.2 | 164.1 | 178.8 | -49 | -52.5 | 0 | 0 | 0 | 112 | G7 E11 S12 Y13 N51 N128 | G7-D9 PolarHBondContact O-N 2.8Å; D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.45Å; D9-S12 PolarHBondContact O-N 3.25Å; D9-Y13 WeakPolarHBondContact O-CB 3.45Å; D9-Y13 PolarHBondContact O-N 3.14Å; D9-N51 PolarHBondContact OD1-ND2 3.47Å; D9-N128 VanDerWaalsContact OD2-CB 3.25Å; D9-N128 WeakPolarHBondContact OD2-CB 3.37Å; D9-N128 PolarHBondContact OD2-ND2 2.79Å | ||
| 10 | D | 95.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.3 | -46.9 | -179.8 | -70.8 | -8.9 | 0 | 0 | 0 | 112.9 | S12 Y13 E14 L52 T53 | D10-S12 PolarHBondContact O-N 3Å; D10-Y13 PolarHBondContact O-N 3.44Å; D10-E14 VanDerWaalsContact O-CB 3.32Å; D10-E14 WeakPolarHBondContact O-CB 3.29Å; D10-E14 PolarHBondContact O-N 2.94Å; D10-L52 VanDerWaalsContact OD1-CA 3.23Å; D10-L52 WeakPolarHBondContact OD1-CA 3.28Å; D10-T53 PolarHBondContact OD1-N 2.98Å; D10-T53 WeakPolarHBondContact OD2-CB 3.4Å; D10-T53 VanDerWaalsContact OD2-CG2 3.27Å; D10-T53 WeakPolarHBondContact OD2-CG2 3.38Å; D10-T53 PolarHBondContact OD2-OG1 3.4Å |
| 11 | E | 94.6 | Very high | 95.6 | Very high | 136 Ų | 136 | 54.4 Ų | 54.4 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | -177.7 | -61.8 | 77.2 | -167.7 | 0 | 0 | 111.5 | D9 A15 | D9-E11 VanDerWaalsContact C-N 3.34Å; D9-E11 PolarHBondContact O-N 3.45Å; E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 3.41Å |
| 12 | S | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.6 | -42.7 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | D9 D10 I16 N128 | D9-S12 PolarHBondContact O-N 3.25Å; D10-S12 PolarHBondContact O-N 3Å; S12-I16 WeakPolarHBondContact O-CG1 3.42Å; S12-I16 PolarHBondContact O-N 3.03Å; S12-N128 PolarHBondContact OG-ND2 3.18Å |
| 13 | Y | 96.7 | Very high | 95.6 | Very high | 55 Ų | 55 | 47 Ų | 47 | 22% | 0.216 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | 179.3 | -160.4 | -82 | 0 | 0 | 0 | 111.5 | L4 I8 D9 D10 A15 I16 F17 F50 L52 C60 | L4-Y13 HydrophobicContact CD1-CD2 4.23Å; L4-Y13 HydrophobicContact CD1-CE2 3.99Å; I8-Y13 HydrophobicContact CD1-CD2 3.91Å; I8-Y13 HydrophobicContact CG1-CD2 4.38Å; I8-Y13 HydrophobicContact CG2-CD2 4.07Å; D9-Y13 WeakPolarHBondContact O-CB 3.45Å; D9-Y13 PolarHBondContact O-N 3.14Å; D10-Y13 PolarHBondContact O-N 3.44Å; Y13-A15 VanDerWaalsContact C-N 3.34Å; Y13-A15 PolarHBondContact O-N 3.31Å; Y13-I16 WeakPolarHBondContact O-CG1 3.5Å; Y13-I16 PolarHBondContact O-N 2.98Å; Y13-F17 HydrophobicContact CD1-CB 4.17Å; Y13-F17 HydrophobicContact CE1-CB 4.19Å; Y13-F17 AromaticContact CE1-CD2 3.96Å; Y13-F17 HydrophobicContact CE1-CD2 3.96Å; Y13-F17 HydrophobicContact CE1-CG 4.28Å; Y13-F17 WeakPolarHBondContact O-CB 3.16Å; Y13-F17 PolarHBondContact O-N 3.09Å; Y13-F50 HydrophobicContact CE2-CE2 4.47Å; Y13-L52 HydrophobicContact CD2-CD1 3.92Å; Y13-L52 HydrophobicContact CD2-CD2 4.13Å; Y13-L52 HydrophobicContact CE2-CD1 4.11Å; Y13-L52 HydrophobicContact CG-CD1 4.17Å; Y13-L52 HydrophobicContact CG-CD2 4.01Å; Y13-C60 VanDerWaalsContact CE1-SG 3.57Å |
| 14 | E | 96.1 | Very high | 95.5 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 177 | -177.1 | 178.7 | -177.2 | 0 | 0 | 111.8 | D10 I16 F17 K18 K59 | D10-E14 VanDerWaalsContact O-CB 3.32Å; D10-E14 WeakPolarHBondContact O-CB 3.29Å; D10-E14 PolarHBondContact O-N 2.94Å; E14-I16 PolarHBondContact O-N 2.73Å; E14-F17 PolarHBondContact O-N 2.78Å; E14-K18 HydrophobicContact CG-CD 3.92Å; E14-K18 HydrophobicContact CG-CG 4.28Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 VanDerWaalsContact O-N 3.17Å; E14-K18 VanDerWaalsContact OE1-CE 3.26Å; E14-K18 WeakPolarHBondContact OE1-CE 3.2Å; E14-K18 IonicContact OE1-NZ 2.71Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-K59 WeakPolarHBondContact OE2-CD 3.4Å; E14-K59 WeakPolarHBondContact OE2-CE 3.2Å; E14-K59 IonicContact OE2-NZ 2.63Å; E14-K59 PolarHBondContact OE2-NZ 3.08Å |
| 15 | A | 95 | Very high | 95.3 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 50% | 0.496 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -26.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E11 Y13 P19 | E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 3.41Å; Y13-A15 VanDerWaalsContact C-N 3.34Å; Y13-A15 PolarHBondContact O-N 3.31Å; A15-P19 WeakPolarHBondContact O-CD 3.3Å; A15-P19 VanDerWaalsContact O-CG 3.22Å; A15-P19 WeakPolarHBondContact O-CG 3.37Å |
| 16 | I | 96 | Very high | 95.1 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -94.9 | -36.4 | 176 | 64.6 | 175.5 | 0 | 0 | 0 | 112.3 | Y2 L4 I8 S12 Y13 E14 P19 V20 L135 | Y2-I16 HydrophobicContact CD1-CD1 4.11Å; Y2-I16 HydrophobicContact CE1-CD1 3.71Å; Y2-I16 HydrophobicContact CE2-CB 4Å; Y2-I16 HydrophobicContact CE2-CD1 4.24Å; Y2-I16 VanDerWaalsContact OH-CG2 3.29Å; Y2-I16 WeakPolarHBondContact OH-CG2 3.46Å; L4-I16 HydrophobicContact CD1-CD1 4.43Å; L4-I16 HydrophobicContact CD2-CD1 3.84Å; I8-I16 HydrophobicContact CD1-CD1 3.96Å; S12-I16 WeakPolarHBondContact O-CG1 3.42Å; S12-I16 PolarHBondContact O-N 3.03Å; Y13-I16 WeakPolarHBondContact O-CG1 3.5Å; Y13-I16 PolarHBondContact O-N 2.98Å; E14-I16 PolarHBondContact O-N 2.73Å; I16-P19 WeakPolarHBondContact O-CD 3.17Å; I16-V20 WeakPolarHBondContact O-CB 3.49Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 2.7Å; I16-L135 HydrophobicContact CD1-CD2 4.23Å; I16-L135 HydrophobicContact CG2-CB 4.05Å; I16-L135 HydrophobicContact CG2-CD1 4.12Å; I16-L135 HydrophobicContact CG2-CD2 4.37Å; I16-L135 HydrophobicContact CG2-CG 4.41Å |
| 17 | F | 96.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.3 | -51.7 | -174.6 | -176.4 | -96.4 | 0 | 0 | 0 | 111.3 | Y13 E14 V20 M21 C60 F63 V64 | Y13-F17 HydrophobicContact CD1-CB 4.17Å; Y13-F17 HydrophobicContact CE1-CB 4.19Å; Y13-F17 AromaticContact CE1-CD2 3.96Å; Y13-F17 HydrophobicContact CE1-CD2 3.96Å; Y13-F17 HydrophobicContact CE1-CG 4.28Å; Y13-F17 WeakPolarHBondContact O-CB 3.16Å; Y13-F17 PolarHBondContact O-N 3.09Å; E14-F17 PolarHBondContact O-N 2.78Å; F17-V20 PolarHBondContact O-N 2.92Å; F17-M21 HydrophobicContact CD1-CG 4.16Å; F17-M21 HydrophobicContact CD2-CG 4.01Å; F17-M21 HydrophobicContact CE1-CB 4.5Å; F17-M21 HydrophobicContact CE1-CG 3.88Å; F17-M21 HydrophobicContact CE2-CG 3.73Å; F17-M21 HydrophobicContact CE2-SD 4.41Å; F17-M21 HydrophobicContact CG-CG 4.22Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 WeakPolarHBondContact O-CB 3.28Å; F17-M21 WeakPolarHBondContact O-CG 3.46Å; F17-M21 PolarHBondContact O-N 2.92Å; F17-C60 HydrophobicContact CD1-CB 4.14Å; F17-C60 HydrophobicContact CE1-CB 3.65Å; F17-C60 HydrophobicContact CE2-CB 4.26Å; F17-C60 HydrophobicContact CZ-CB 3.72Å; F17-F63 HydrophobicContact CD1-CD1 4.13Å; F17-F63 HydrophobicContact CE1-CB 4.41Å; F17-F63 AromaticContact CE1-CD1 3.89Å; F17-F63 HydrophobicContact CE1-CD1 3.89Å; F17-V64 HydrophobicContact CE1-CG2 4.12Å; F17-V64 HydrophobicContact CZ-CG2 3.94Å |
| 18 | K | 96.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 47 Ų | 47 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.5 | -50.9 | -176.9 | -68.7 | -175.6 | 169.1 | 175.3 | 0 | 112.5 | E14 V20 S22 F63 | E14-K18 HydrophobicContact CG-CD 3.92Å; E14-K18 HydrophobicContact CG-CG 4.28Å; E14-K18 PolarHBondContact O-N 3.4Å; E14-K18 VanDerWaalsContact O-N 3.17Å; E14-K18 VanDerWaalsContact OE1-CE 3.26Å; E14-K18 WeakPolarHBondContact OE1-CE 3.2Å; E14-K18 IonicContact OE1-NZ 2.71Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; K18-V20 PolarHBondContact O-N 3.19Å; K18-S22 WeakPolarHBondContact O-CB 3.26Å; K18-S22 PolarHBondContact O-N 3.3Å; K18-S22 PolarHBondContact O-OG 3.37Å; K18-S22 VanDerWaalsContact O-OG 3.06Å; K18-F63 HydrophobicContact CB-CD2 4.4Å; K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CE2 4.04Å; K18-F63 HydrophobicContact CB-CZ 3.96Å; K18-F63 HydrophobicContact CD-CD2 3.98Å; K18-F63 HydrophobicContact CD-CE2 4.18Å; K18-F63 HydrophobicContact CG-CD1 4.18Å; K18-F63 HydrophobicContact CG-CD2 3.72Å; K18-F63 HydrophobicContact CG-CE1 4.31Å; K18-F63 HydrophobicContact CG-CE2 3.86Å; K18-F63 HydrophobicContact CG-CG 3.87Å; K18-F63 HydrophobicContact CG-CZ 4.15Å; K18-F63 WeakPolarHBondContact O-CZ 3.47Å |
| 19 | P | 95.9 | Very high | 94.3 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 29% | 0.292 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | -179.5 | -23.7 | 36.3 | 0 | 0 | 0 | 113.5 | A15 I16 K23 F143 | A15-P19 WeakPolarHBondContact O-CD 3.3Å; A15-P19 VanDerWaalsContact O-CG 3.22Å; A15-P19 WeakPolarHBondContact O-CG 3.37Å; I16-P19 WeakPolarHBondContact O-CD 3.17Å; P19-K23 PolarHBondContact O-N 3.15Å; P19-K23 VanDerWaalsContact O-N 3.11Å; P19-F143 HydrophobicContact CB-CZ 4.12Å; P19-F143 WeakPolarHBondContact O-CZ 3.34Å |
| 20 | V | 95.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 179.5 | 172 | 0 | 0 | 0 | 0 | 109.9 | Y2 I16 F17 K18 K23 V24 K139 F143 | Y2-V20 HydrophobicContact CD2-CG2 4.23Å; Y2-V20 HydrophobicContact CE2-CG2 4.04Å; I16-V20 WeakPolarHBondContact O-CB 3.49Å; I16-V20 WeakPolarHBondContact O-CG2 3.3Å; I16-V20 PolarHBondContact O-N 2.7Å; F17-V20 PolarHBondContact O-N 2.92Å; K18-V20 PolarHBondContact O-N 3.19Å; V20-K23 PolarHBondContact O-N 3.39Å; V20-K23 VanDerWaalsContact O-N 3.13Å; V20-V24 HydrophobicContact CG1-CG2 4.43Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 3.13Å; V20-K139 HydrophobicContact CG2-CG 4.23Å; V20-F143 HydrophobicContact CG2-CE2 4.1Å |
| 21 | M | 95.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | -179.3 | -69.4 | -52.8 | -63.6 | 0 | 0 | 112.3 | F17 K23 V24 M25 F63 | F17-M21 HydrophobicContact CD1-CG 4.16Å; F17-M21 HydrophobicContact CD2-CG 4.01Å; F17-M21 HydrophobicContact CE1-CB 4.5Å; F17-M21 HydrophobicContact CE1-CG 3.88Å; F17-M21 HydrophobicContact CE2-CG 3.73Å; F17-M21 HydrophobicContact CE2-SD 4.41Å; F17-M21 HydrophobicContact CG-CG 4.22Å; F17-M21 HydrophobicContact CZ-CG 3.66Å; F17-M21 WeakPolarHBondContact O-CB 3.28Å; F17-M21 WeakPolarHBondContact O-CG 3.46Å; F17-M21 PolarHBondContact O-N 2.92Å; M21-K23 VanDerWaalsContact C-N 3.27Å; M21-K23 PolarHBondContact O-N 2.99Å; M21-V24 PolarHBondContact O-N 3.13Å; M21-M25 HydrophobicContact CE-CE 4.45Å; M21-M25 WeakPolarHBondContact O-CG 3.47Å; M21-M25 PolarHBondContact O-N 2.83Å; M21-F63 HydrophobicContact CB-CD1 4.25Å; M21-F63 HydrophobicContact CB-CE1 3.75Å |
| 22 | S | 95.2 | Very high | 93.9 | Very high | 52 Ų | 52 | 49.2 Ų | 49.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -45.4 | 169.6 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | K18 M25 E26 F63 | K18-S22 WeakPolarHBondContact O-CB 3.26Å; K18-S22 PolarHBondContact O-N 3.3Å; K18-S22 PolarHBondContact O-OG 3.37Å; K18-S22 VanDerWaalsContact O-OG 3.06Å; S22-M25 PolarHBondContact O-N 3.34Å; S22-E26 WeakPolarHBondContact O-CB 3.4Å; S22-E26 PolarHBondContact O-N 2.75Å; S22-F63 WeakPolarHBondContact OG-CZ 3.33Å |
| 23 | K | 93.5 | Very high | 93.9 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 14% | 0.143 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.8 | -34.5 | -179.3 | -166.6 | 58.7 | 178.3 | 173 | 0 | 112 | P19 V20 M21 E26 M27 F143 L146 | P19-K23 PolarHBondContact O-N 3.15Å; P19-K23 VanDerWaalsContact O-N 3.11Å; V20-K23 PolarHBondContact O-N 3.39Å; V20-K23 VanDerWaalsContact O-N 3.13Å; M21-K23 VanDerWaalsContact C-N 3.27Å; M21-K23 PolarHBondContact O-N 2.99Å; K23-E26 WeakPolarHBondContact CD-OE2 3.45Å; K23-E26 IonicContact NZ-OE1 2.65Å; K23-E26 PolarHBondContact NZ-OE1 2.97Å; K23-E26 IonicContact NZ-OE2 3.05Å; K23-E26 PolarHBondContact NZ-OE2 3.39Å; K23-E26 PolarHBondContact O-N 3.36Å; K23-M27 HydrophobicContact CD-CG 4.02Å; K23-M27 HydrophobicContact CD-SD 4.48Å; K23-M27 HydrophobicContact CG-CG 4.15Å; K23-M27 WeakPolarHBondContact O-CB 3.42Å; K23-M27 WeakPolarHBondContact O-CG 3.35Å; K23-M27 PolarHBondContact O-N 3.5Å; K23-F143 HydrophobicContact CB-CE1 3.96Å; K23-F143 HydrophobicContact CB-CE2 4.46Å; K23-F143 HydrophobicContact CB-CZ 3.93Å; K23-F143 HydrophobicContact CD-CE1 4.35Å; K23-F143 HydrophobicContact CG-CD1 4.1Å; K23-F143 HydrophobicContact CG-CE1 3.95Å; K23-F143 HydrophobicContact CG-CZ 4.38Å; K23-L146 HydrophobicContact CB-CD1 3.99Å; K23-L146 HydrophobicContact CG-CB 4.3Å; K23-L146 HydrophobicContact CG-CD1 3.88Å |
| 24 | V | 93.8 | Very high | 93.9 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 172.2 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V20 M21 E26 M27 F28 L146 | V20-V24 HydrophobicContact CG1-CG2 4.43Å; V20-V24 WeakPolarHBondContact O-CG2 3.48Å; V20-V24 PolarHBondContact O-N 3.13Å; M21-V24 PolarHBondContact O-N 3.13Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 3.06Å; V24-M27 PolarHBondContact O-N 3.09Å; V24-F28 HydrophobicContact CG1-CB 4.39Å; V24-F28 WeakPolarHBondContact O-CA 3.22Å; V24-F28 WeakPolarHBondContact O-CB 3.35Å; V24-F28 PolarHBondContact O-N 3.15Å; V24-L146 HydrophobicContact CG2-CD1 4Å; V24-L146 HydrophobicContact CG2-CD2 3.95Å |
| 25 | M | 92.5 | Very high | 94 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.108 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 177.9 | -65.6 | -58.9 | -175.3 | 0 | 0 | 112.1 | M21 S22 Q29 P30 V33 V64 F67 L69 | M21-M25 HydrophobicContact CE-CE 4.45Å; M21-M25 WeakPolarHBondContact O-CG 3.47Å; M21-M25 PolarHBondContact O-N 2.83Å; S22-M25 PolarHBondContact O-N 3.34Å; M25-Q29 WeakPolarHBondContact O-CA 3.34Å; M25-Q29 PolarHBondContact O-N 3.1Å; M25-Q29 VanDerWaalsContact O-N 3.1Å; M25-P30 HydrophobicContact SD-CG 3.42Å; M25-P30 WeakPolarHBondContact SD-CG 3.47Å; M25-V33 HydrophobicContact CE-CG2 3.84Å; M25-V64 HydrophobicContact CE-CG1 4.45Å; M25-F67 HydrophobicContact CB-CD1 4.23Å; M25-F67 HydrophobicContact CB-CE1 3.96Å; M25-F67 HydrophobicContact CB-CZ 4.35Å; M25-F67 HydrophobicContact CE-CD2 3.78Å; M25-F67 HydrophobicContact CE-CE2 4.15Å; M25-F67 HydrophobicContact CE-CG 4.21Å; M25-F67 HydrophobicContact CG-CD1 3.88Å; M25-F67 HydrophobicContact CG-CD2 4.06Å; M25-F67 HydrophobicContact CG-CE1 3.71Å; M25-F67 HydrophobicContact CG-CE2 3.91Å; M25-F67 HydrophobicContact CG-CG 4.06Å; M25-F67 HydrophobicContact CG-CZ 3.73Å; M25-L69 HydrophobicContact SD-CD1 4.27Å |
| 26 | E | 90.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 177.8 | -171.3 | -162.4 | 144 | 0 | 0 | 112.6 | S22 K23 V24 Q29 | S22-E26 WeakPolarHBondContact O-CB 3.4Å; S22-E26 PolarHBondContact O-N 2.75Å; K23-E26 WeakPolarHBondContact CD-OE2 3.45Å; K23-E26 IonicContact NZ-OE1 2.65Å; K23-E26 PolarHBondContact NZ-OE1 2.97Å; K23-E26 IonicContact NZ-OE2 3.05Å; K23-E26 PolarHBondContact NZ-OE2 3.39Å; K23-E26 PolarHBondContact O-N 3.36Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 3.06Å; E26-Q29 WeakPolarHBondContact O-CG 3.42Å |
| 27 | M | 90 | Very high | 94.1 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -85.8 | -41.7 | -172.8 | -63.6 | -61.9 | -50.7 | 0 | 0 | 113 | K23 V24 L146 H151 | K23-M27 HydrophobicContact CD-CG 4.02Å; K23-M27 HydrophobicContact CD-SD 4.48Å; K23-M27 HydrophobicContact CG-CG 4.15Å; K23-M27 WeakPolarHBondContact O-CB 3.42Å; K23-M27 WeakPolarHBondContact O-CG 3.35Å; K23-M27 PolarHBondContact O-N 3.5Å; V24-M27 PolarHBondContact O-N 3.09Å; M27-L146 VanDerWaalsContact CE-O 3.3Å; M27-L146 WeakPolarHBondContact CE-O 3.36Å; M27-L146 HydrophobicContact CG-CB 4.44Å; M27-H151 WeakPolarHBondContact CE-CE1 3.22Å; M27-H151 VanDerWaalsContact CE-NE2 3.29Å; M27-H151 WeakPolarHBondContact CE-NE2 3.41Å; M27-H151 PolarHBondContact SD-NE2 2.82Å; M27-H151 VanDerWaalsContact SD-NE2 3.42Å |
| 28 | F | 90.1 | Very high | 94.1 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.592 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -87.6 | -25.8 | -175.2 | -173 | -115.4 | 0 | 0 | 0 | 112.6 | V24 P30 | V24-F28 HydrophobicContact CG1-CB 4.39Å; V24-F28 WeakPolarHBondContact O-CA 3.22Å; V24-F28 WeakPolarHBondContact O-CB 3.35Å; V24-F28 PolarHBondContact O-N 3.15Å; F28-P30 HydrophobicContact CD1-CB 3.83Å; F28-P30 HydrophobicContact CD1-CG 4.15Å; F28-P30 HydrophobicContact CE1-CB 4Å |
| 29 | Q | 89.2 | Confident | 94 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | trans | 43.7 | 59.1 | -179 | -61.3 | -166.6 | -25.5 | 0 | 0 | 113.6 | M25 E26 | M25-Q29 WeakPolarHBondContact O-CA 3.34Å; M25-Q29 PolarHBondContact O-N 3.1Å; M25-Q29 VanDerWaalsContact O-N 3.1Å; E26-Q29 WeakPolarHBondContact O-CG 3.42Å | ||
| 30 | P | 92 | Very high | 94 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | trans | -66.2 | 148.3 | -180 | 28.4 | -32.6 | 0 | 0 | 0 | 111.5 | M25 F28 L69 | M25-P30 HydrophobicContact SD-CG 3.42Å; M25-P30 WeakPolarHBondContact SD-CG 3.47Å; F28-P30 HydrophobicContact CD1-CB 3.83Å; F28-P30 HydrophobicContact CD1-CG 4.15Å; F28-P30 HydrophobicContact CE1-CB 4Å; P30-L69 HydrophobicContact CG-CD1 4.03Å; P30-L69 VanDerWaalsContact O-CD1 3.28Å; P30-L69 WeakPolarHBondContact O-CD1 3.44Å | ||
| 31 | S | 90.7 | Very high | 94 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -91.8 | -16.2 | 172.4 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | P70 M157 | S31-P70 WeakPolarHBondContact O-CD 3.48Å; S31-M157 WeakPolarHBondContact OG-CG 3.37Å; S31-M157 PolarHBondContact OG-SD 3.42Å |
| 32 | A | 94 | Very high | 94 | Very high | 48 Ų | 48 | 46 Ų | 46 | 40% | 0.397 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -150.9 | 155.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P70 | A32-P70 CarbonylContact C-O 3.55Å; A32-P70 WeakPolarHBondContact CA-O 3.32Å; A32-P70 HydrophobicContact CB-CB 4.25Å |
| 33 | V | 96.3 | Very high | 94 | Very high | 20 Ų | 20 | 43.9 Ų | 43.9 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 133.1 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | M25 V64 L69 P70 M71 L72 | M25-V33 HydrophobicContact CE-CG2 3.84Å; V33-V64 HydrophobicContact CB-CG1 4.37Å; V33-V64 HydrophobicContact CG1-CG1 3.63Å; V33-L69 HydrophobicContact CG2-CB 4.14Å; V33-L69 HydrophobicContact CG2-CD1 3.89Å; V33-P70 PolarHBondContact N-O 3.21Å; V33-M71 CarbonylContact O-C 3.53Å; V33-M71 VanDerWaalsContact O-CA 3.3Å; V33-M71 WeakPolarHBondContact O-CA 3.21Å; V33-L72 PolarHBondContact O-N 3.33Å |
| 34 | V | 97.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 44.9 Ų | 44.9 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.9 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | L72 L74 | V34-L72 CarbonylContact C-O 3.56Å; V34-L72 WeakPolarHBondContact CA-O 3.26Å; V34-L72 HydrophobicContact CG1-CD2 4.4Å; V34-L72 HydrophobicContact CG2-CB 4.36Å; V34-L72 HydrophobicContact CG2-CD2 4.48Å; V34-L74 HydrophobicContact CG1-CD1 3.64Å; V34-L74 HydrophobicContact CG1-CG 4.19Å |
| 35 | L | 97.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.141 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.8 | -179 | -176.9 | 63.1 | 0 | 0 | 0 | 109.7 | V61 V64 M71 L72 M73 L74 | L35-V61 HydrophobicContact CD2-CB 4.25Å; L35-V61 HydrophobicContact CD2-CG1 4.46Å; L35-V61 HydrophobicContact CD2-CG2 3.87Å; L35-V64 HydrophobicContact CD1-CG2 4.41Å; L35-V64 HydrophobicContact CD2-CB 4.28Å; L35-V64 HydrophobicContact CD2-CG2 4.34Å; L35-M71 HydrophobicContact CD2-SD 4.4Å; L35-L72 PolarHBondContact N-O 3.01Å; L35-M73 WeakPolarHBondContact O-CA 3.47Å; L35-L74 PolarHBondContact O-N 3.37Å |
| 36 | Q | 97.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 50% | 0.5 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.2 | 173 | -169.5 | -78.7 | -39.6 | 0 | 0 | 108.7 | G75 | Q36-G75 WeakPolarHBondContact CG-O 3.09Å; Q36-G75 PolarHBondContact NE2-O 2.63Å |
| 37 | C | 96.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | trans | -105.9 | 64.6 | -173.7 | -54.6 | 0 | 0 | 0 | 0 | 109.9 | S39 L74 W88 E91 | C37-S39 PolarHBondContact O-N 3.42Å; C37-L74 WeakPolarHBondContact CB-O 3.47Å; C37-L74 PolarHBondContact N-O 2.62Å; C37-W88 PolarHBondContact O-NE1 3.16Å; C37-E91 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 38 | G | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | trans | -65.5 | 117 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D40 S41 H57 D77 | G38-D40 VanDerWaalsContact C-N 3.32Å; G38-S41 PolarHBondContact O-OG 3.35Å; G38-S41 VanDerWaalsContact O-OG 3.06Å; G38-H57 PolarHBondContact O-NE2 3.03Å; G38-H57 VanDerWaalsContact O-NE2 3.09Å; G38-D77 CarbonylContact C-O 3.57Å | ||
| 39 | S | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -88.1 | 2 | -176.4 | -176.3 | 0 | 0 | 0 | 0 | 113.3 | C37 S41 L42 D77 | C37-S39 PolarHBondContact O-N 3.42Å; S39-S41 PolarHBondContact O-N 3.11Å; S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 WeakPolarHBondContact O-CG 3.37Å; S39-L42 PolarHBondContact O-N 2.94Å; S39-L42 WeakPolarHBondContact OG-CD1 3.48Å; S39-D77 CarbonylContact C-O 3.59Å; S39-D77 PolarHBondContact N-O 2.69Å |
| 40 | D | 95.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 46.6 Ų | 46.6 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -69.2 | -19.1 | 171.3 | 65.7 | -20.1 | 0 | 0 | 0 | 112.7 | G38 L42 D45 G48 D77 Y79 | G38-D40 VanDerWaalsContact C-N 3.32Å; D40-L42 PolarHBondContact O-N 3.09Å; D40-D45 WeakPolarHBondContact O-CB 3.47Å; D40-G48 WeakPolarHBondContact O-CA 3.42Å; D40-D77 HydrophobicContact CB-CB 3.91Å; D40-D77 PolarHBondContact N-O 3.18Å; D40-D77 WeakPolarHBondContact OD2-CB 3.13Å; D40-Y79 HydrophobicContact CB-CD2 4.17Å; D40-Y79 HydrophobicContact CB-CE2 4.23Å |
| 41 | S | 94.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -73.7 | -5.5 | 174.2 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | G38 S39 F50 L52 H57 | G38-S41 PolarHBondContact O-OG 3.35Å; G38-S41 VanDerWaalsContact O-OG 3.06Å; S39-S41 PolarHBondContact O-N 3.11Å; S41-F50 WeakPolarHBondContact O-CB 3.45Å; S41-L52 WeakPolarHBondContact O-CB 3.26Å; S41-H57 PolarHBondContact OG-CD2 3.18Å; S41-H57 PolarHBondContact OG-NE2 3.22Å |
| 42 | L | 96 | Very high | 94.8 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -75.1 | 153.5 | 178.6 | -67.1 | -175.8 | 0 | 0 | 0 | 113.2 | S39 D40 G44 D45 L52 I54 H57 N83 C87 I121 | S39-L42 WeakPolarHBondContact O-CB 3.45Å; S39-L42 WeakPolarHBondContact O-CG 3.37Å; S39-L42 PolarHBondContact O-N 2.94Å; S39-L42 WeakPolarHBondContact OG-CD1 3.48Å; D40-L42 PolarHBondContact O-N 3.09Å; L42-G44 PolarHBondContact O-N 3.27Å; L42-D45 PolarHBondContact O-N 3.14Å; L42-L52 WeakPolarHBondContact CA-O 3.24Å; L42-L52 HydrophobicContact CD2-CB 4.49Å; L42-I54 HydrophobicContact CD1-CG1 4.05Å; L42-I54 HydrophobicContact CD2-CG1 4.39Å; L42-H57 HydrophobicContact CD2-CB 3.88Å; L42-N83 HydrophobicContact CD1-CB 4.15Å; L42-C87 HydrophobicContact CD1-CB 3.79Å; L42-I121 HydrophobicContact CB-CD1 4.19Å; L42-I121 HydrophobicContact CD1-CD1 4.27Å; L42-I121 HydrophobicContact CD2-CD1 4.44Å |
| 43 | S | 94.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 132.4 | 171.8 | -164.7 | 0 | 0 | 0 | 0 | 111.4 | D45 N51 L52 S124 | S43-D45 VanDerWaalsContact C-N 3.33Å; S43-N51 PolarHBondContact OG-OD1 2.82Å; S43-L52 WeakPolarHBondContact CB-O 3.5Å; S43-L52 PolarHBondContact N-O 2.87Å; S43-S124 PolarHBondContact OG-N 2.83Å |
| 44 | G | 89.9 | Confident | 94.9 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 57% | 0.567 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 19.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L42 T80 | L42-G44 PolarHBondContact O-N 3.27Å; G44-T80 PolarHBondContact O-OG1 3.03Å |
| 45 | D | 94.4 | Very high | 94.9 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | trans | -63.1 | 153.7 | 164.5 | -168.7 | 68.1 | 0 | 0 | 0 | 111.4 | D40 L42 S43 L47 G48 Y79 T80 | D40-D45 WeakPolarHBondContact O-CB 3.47Å; L42-D45 PolarHBondContact O-N 3.14Å; S43-D45 VanDerWaalsContact C-N 3.33Å; D45-L47 PolarHBondContact OD2-N 2.98Å; D45-G48 PolarHBondContact OD2-N 3.4Å; D45-Y79 WeakPolarHBondContact OD1-CA 3.22Å; D45-Y79 PolarHBondContact OD1-N 3.42Å; D45-T80 WeakPolarHBondContact CA-OG1 3.34Å; D45-T80 PolarHBondContact OD1-N 3.26Å | ||
| 46 | R | 92 | Very high | 94.8 | Very high | 196 Ų | 196 | 39.7 Ų | 39.7 | 74% | 0.74 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -75.1 | -31 | -179.2 | -64.4 | -175.3 | 177 | 177.6 | -1.3 | 113.2 | Y79 T80 | R46-Y79 WeakPolarHBondContact CD-O 3.49Å; R46-T80 PolarHBondContact N-OG1 3.44Å |
| 47 | L | 93.5 | Very high | 94.8 | Very high | 124 Ų | 124 | 35.4 Ų | 35.4 | 65% | 0.649 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -113.2 | -33.5 | -178.8 | -61.3 | -171.8 | 0 | 0 | 0 | 111.8 | D45 Y79 | D45-L47 PolarHBondContact OD2-N 2.98Å; L47-Y79 HydrophobicContact CB-CD2 3.76Å; L47-Y79 HydrophobicContact CB-CE2 4.14Å; L47-Y79 HydrophobicContact CB-CG 4.26Å; L47-Y79 HydrophobicContact CD1-CD1 3.74Å; L47-Y79 HydrophobicContact CD1-CD2 3.69Å; L47-Y79 HydrophobicContact CD1-CE1 3.63Å; L47-Y79 HydrophobicContact CD1-CE2 3.61Å; L47-Y79 HydrophobicContact CD1-CG 3.76Å; L47-Y79 HydrophobicContact CG-CD1 4.24Å; L47-Y79 HydrophobicContact CG-CD2 3.8Å; L47-Y79 HydrophobicContact CG-CE2 4.21Å; L47-Y79 HydrophobicContact CG-CG 3.83Å |
| 48 | G | 90.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 27% | 0.268 | 19% | 0.193 | S | C | . | . | trans | -65.4 | 143.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D40 D45 | D40-G48 WeakPolarHBondContact O-CA 3.42Å; D45-G48 PolarHBondContact OD2-N 3.4Å | ||
| 49 | C | 92.3 | Very high | 94.8 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 35% | 0.345 | 21% | 0.206 | S | C | . | . | trans | -113.5 | 19.8 | 179.5 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | D6 G7 M126 | D6-C49 HydrophobicContact CB-CB 4.26Å; D6-C49 PolarHBondContact OD1-SG 2.83Å; G7-C49 PolarHBondContact N-O 2.71Å; C49-M126 WeakPolarHBondContact O-CE 3.32Å | ||
| 50 | F | 95.3 | Very high | 94.8 | Very high | 43 Ų | 43 | 39 Ų | 39 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | trans | -98.1 | 167.5 | -179.7 | -76 | 7.4 | 0 | 0 | 0 | 111.7 | L4 I8 Y13 S41 L52 | L4-F50 HydrophobicContact CB-CE1 4.2Å; L4-F50 HydrophobicContact CB-CZ 3.79Å; L4-F50 HydrophobicContact CD1-CE2 4Å; L4-F50 HydrophobicContact CD1-CZ 3.85Å; L4-F50 HydrophobicContact CG-CZ 4.46Å; I8-F50 HydrophobicContact CG2-CB 4.1Å; I8-F50 HydrophobicContact CG2-CD1 3.9Å; I8-F50 HydrophobicContact CG2-CD2 3.58Å; I8-F50 HydrophobicContact CG2-CE1 4.23Å; I8-F50 HydrophobicContact CG2-CE2 3.94Å; I8-F50 HydrophobicContact CG2-CG 3.59Å; I8-F50 HydrophobicContact CG2-CZ 4.26Å; Y13-F50 HydrophobicContact CE2-CE2 4.47Å; S41-F50 WeakPolarHBondContact O-CB 3.45Å; F50-L52 HydrophobicContact CD2-CD1 4.5Å | ||
| 51 | N | 95.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -122.3 | 30.8 | -175.3 | -158 | 32.2 | 0 | 0 | 0 | 112.5 | I8 D9 S43 S124 | I8-N51 CarbonylContact O-C 3.51Å; I8-N51 WeakPolarHBondContact O-CA 3.44Å; I8-N51 WeakPolarHBondContact O-CB 3.33Å; I8-N51 PolarHBondContact O-N 2.98Å; I8-N51 VanDerWaalsContact O-N 3.08Å; D9-N51 PolarHBondContact OD1-ND2 3.47Å; S43-N51 PolarHBondContact OG-OD1 2.82Å; N51-S124 PolarHBondContact ND2-O 2.89Å; N51-S124 PolarHBondContact OD1-N 3.36Å; N51-S124 PolarHBondContact OD1-OG 2.98Å | ||
| 52 | L | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 142.7 | -177.6 | -57.7 | -179.7 | 0 | 0 | 0 | 112.1 | I8 D10 Y13 S41 L42 S43 F50 | I8-L52 HydrophobicContact CG2-CD2 4.31Å; D10-L52 VanDerWaalsContact OD1-CA 3.23Å; D10-L52 WeakPolarHBondContact OD1-CA 3.28Å; Y13-L52 HydrophobicContact CD2-CD1 3.92Å; Y13-L52 HydrophobicContact CD2-CD2 4.13Å; Y13-L52 HydrophobicContact CE2-CD1 4.11Å; Y13-L52 HydrophobicContact CG-CD1 4.17Å; Y13-L52 HydrophobicContact CG-CD2 4.01Å; S41-L52 WeakPolarHBondContact O-CB 3.26Å; L42-L52 WeakPolarHBondContact CA-O 3.24Å; L42-L52 HydrophobicContact CD2-CB 4.49Å; S43-L52 WeakPolarHBondContact CB-O 3.5Å; S43-L52 PolarHBondContact N-O 2.87Å; F50-L52 HydrophobicContact CD2-CD1 4.5Å |
| 53 | T | 96.4 | Very high | 95 | Very high | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | trans | -88.8 | 163.8 | 167.5 | 77.8 | 0 | 0 | 0 | 0 | 110.6 | D10 K55 G56 H57 P123 | D10-T53 PolarHBondContact OD1-N 2.98Å; D10-T53 WeakPolarHBondContact OD2-CB 3.4Å; D10-T53 VanDerWaalsContact OD2-CG2 3.27Å; D10-T53 WeakPolarHBondContact OD2-CG2 3.38Å; D10-T53 PolarHBondContact OD2-OG1 3.4Å; T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 PolarHBondContact OG1-N 2.86Å; T53-G56 PolarHBondContact O-N 3.43Å; T53-G56 VanDerWaalsContact O-N 3.11Å; T53-G56 PolarHBondContact OG1-N 3.44Å; T53-G56 VanDerWaalsContact OG1-N 3.14Å; T53-H57 WeakPolarHBondContact O-CB 3.4Å; T53-H57 PolarHBondContact O-N 3.37Å; T53-P123 HydrophobicContact CG2-CB 4.1Å; T53-P123 HydrophobicContact CG2-CG 4.16Å | ||
| 54 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.5 | -33 | 172.7 | -67.4 | 159.8 | 0 | 0 | 0 | 111.3 | L42 A58 R86 C87 Y90 L119 I121 | L42-I54 HydrophobicContact CD1-CG1 4.05Å; L42-I54 HydrophobicContact CD2-CG1 4.39Å; I54-A58 WeakPolarHBondContact O-CB 3.18Å; I54-A58 PolarHBondContact O-N 3.4Å; I54-R86 HydrophobicContact CD1-CB 3.49Å; I54-R86 VanDerWaalsContact CD1-CB 3.49Å; I54-R86 HydrophobicContact CD1-CG 4.47Å; I54-C87 HydrophobicContact CG1-CB 4.39Å; I54-Y90 HydrophobicContact CG2-CD1 3.54Å; I54-Y90 HydrophobicContact CG2-CE1 4.48Å; I54-Y90 HydrophobicContact CG2-CG 3.82Å; I54-L119 WeakPolarHBondContact CD1-O 3.19Å; I54-I121 HydrophobicContact CD1-CB 4.45Å; I54-I121 HydrophobicContact CD1-CD1 4.42Å; I54-I121 HydrophobicContact CD1-CG1 4.02Å; I54-I121 HydrophobicContact CD1-CG2 3.95Å; I54-I121 HydrophobicContact CG1-CD1 4.14Å; I54-I121 HydrophobicContact CG1-CG1 3.99Å |
| 55 | K | 95.7 | Very high | 95.3 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 46% | 0.457 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71 | -44.4 | 176.7 | -66.8 | -174.5 | 178.2 | -175.6 | 0 | 111.7 | T53 H57 A58 K59 Y90 H120 | T53-K55 PolarHBondContact O-N 3.4Å; T53-K55 PolarHBondContact OG1-N 2.86Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-A58 PolarHBondContact O-N 3.03Å; K55-K59 WeakPolarHBondContact O-CG 3.38Å; K55-K59 PolarHBondContact O-N 3.04Å; K55-Y90 HydrophobicContact CG-CE1 4.4Å; K55-H120 VanDerWaalsContact CE-CD2 3.43Å; K55-H120 WeakPolarHBondContact CE-CD2 3.45Å; K55-H120 WeakPolarHBondContact CE-CE1 3.47Å; K55-H120 WeakPolarHBondContact CE-NE2 3.42Å |
| 56 | G | 95.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T53 | T53-G56 PolarHBondContact O-N 3.43Å; T53-G56 VanDerWaalsContact O-N 3.11Å; T53-G56 PolarHBondContact OG1-N 3.44Å; T53-G56 VanDerWaalsContact OG1-N 3.14Å |
| 57 | H | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -50.7 | 176.2 | -163.4 | -91.1 | 0 | 0 | 0 | 111.6 | G38 S41 L42 T53 K55 K59 C60 E91 | G38-H57 PolarHBondContact O-NE2 3.03Å; G38-H57 VanDerWaalsContact O-NE2 3.09Å; S41-H57 PolarHBondContact OG-CD2 3.18Å; S41-H57 PolarHBondContact OG-NE2 3.22Å; L42-H57 HydrophobicContact CD2-CB 3.88Å; T53-H57 WeakPolarHBondContact O-CB 3.4Å; T53-H57 PolarHBondContact O-N 3.37Å; K55-H57 VanDerWaalsContact C-N 3.32Å; H57-K59 VanDerWaalsContact C-N 3.29Å; H57-K59 PolarHBondContact O-N 3.41Å; H57-C60 WeakPolarHBondContact O-CB 3.5Å; H57-C60 PolarHBondContact O-N 3.34Å; H57-E91 IonicContact CE1-OE1 2.79Å; H57-E91 PolarHBondContact CE1-OE1 2.87Å; H57-E91 IonicContact CG-OE1 2.7Å; H57-E91 IonicContact ND1-OE1 2.61Å; H57-E91 PolarHBondContact ND1-OE1 3.49Å |
| 58 | A | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 2% | 0.017 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.2 | -23.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I54 K55 C60 V61 E62 Y90 E91 V94 | I54-A58 WeakPolarHBondContact O-CB 3.18Å; I54-A58 PolarHBondContact O-N 3.4Å; K55-A58 PolarHBondContact O-N 3.03Å; A58-C60 PolarHBondContact O-N 3.16Å; A58-V61 WeakPolarHBondContact O-CB 3.41Å; A58-V61 PolarHBondContact O-N 3.43Å; A58-V61 VanDerWaalsContact O-N 3.1Å; A58-E62 PolarHBondContact O-N 2.9Å; A58-Y90 HydrophobicContact CB-CD1 3.5Å; A58-Y90 HydrophobicContact CB-CE1 3.6Å; A58-E91 HydrophobicContact CB-CG 4.13Å; A58-V94 HydrophobicContact CB-CG2 4.18Å |
| 59 | K | 96.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 41 Ų | 41 | 32% | 0.317 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.2 | -28.4 | 169.3 | -82.7 | 176.8 | 176.6 | 179 | 0 | 112.5 | E14 K55 H57 F63 | E14-K59 WeakPolarHBondContact OE2-CD 3.4Å; E14-K59 WeakPolarHBondContact OE2-CE 3.2Å; E14-K59 IonicContact OE2-NZ 2.63Å; E14-K59 PolarHBondContact OE2-NZ 3.08Å; K55-K59 WeakPolarHBondContact O-CG 3.38Å; K55-K59 PolarHBondContact O-N 3.04Å; H57-K59 VanDerWaalsContact C-N 3.29Å; H57-K59 PolarHBondContact O-N 3.41Å; K59-F63 VanDerWaalsContact O-CB 3.26Å; K59-F63 WeakPolarHBondContact O-CB 3.3Å; K59-F63 PolarHBondContact O-N 3.38Å |
| 60 | C | 96.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 8% | 0.081 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -45.4 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 110.5 | Y13 F17 H57 A58 F63 V64 | Y13-C60 VanDerWaalsContact CE1-SG 3.57Å; F17-C60 HydrophobicContact CD1-CB 4.14Å; F17-C60 HydrophobicContact CE1-CB 3.65Å; F17-C60 HydrophobicContact CE2-CB 4.26Å; F17-C60 HydrophobicContact CZ-CB 3.72Å; H57-C60 WeakPolarHBondContact O-CB 3.5Å; H57-C60 PolarHBondContact O-N 3.34Å; A58-C60 PolarHBondContact O-N 3.16Å; C60-F63 PolarHBondContact O-N 2.89Å; C60-V64 VanDerWaalsContact O-CG2 3.32Å; C60-V64 WeakPolarHBondContact O-CG2 3.5Å; C60-V64 PolarHBondContact O-N 3.35Å |
| 61 | V | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -50.4 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L35 A58 F63 V64 K65 M73 E91 V94 | L35-V61 HydrophobicContact CD2-CB 4.25Å; L35-V61 HydrophobicContact CD2-CG1 4.46Å; L35-V61 HydrophobicContact CD2-CG2 3.87Å; A58-V61 WeakPolarHBondContact O-CB 3.41Å; A58-V61 PolarHBondContact O-N 3.43Å; A58-V61 VanDerWaalsContact O-N 3.1Å; V61-F63 VanDerWaalsContact C-N 3.28Å; V61-F63 PolarHBondContact O-N 2.88Å; V61-V64 PolarHBondContact O-N 2.84Å; V61-K65 VanDerWaalsContact O-CB 3.24Å; V61-K65 WeakPolarHBondContact O-CB 3.45Å; V61-K65 PolarHBondContact O-N 3.13Å; V61-M73 HydrophobicContact CB-CE 4.37Å; V61-M73 HydrophobicContact CG1-CE 3.42Å; V61-M73 VanDerWaalsContact CG1-CE 3.42Å; V61-M73 HydrophobicContact CG1-SD 3.83Å; V61-M73 HydrophobicContact CG2-CE 4Å; V61-E91 HydrophobicContact CG2-CB 4.45Å; V61-E91 HydrophobicContact CG2-CG 4.06Å; V61-E91 WeakPolarHBondContact CG2-OE1 3.46Å; V61-V94 HydrophobicContact CB-CG1 4.47Å; V61-V94 HydrophobicContact CG1-CG1 4.2Å |
| 62 | E | 96.3 | Very high | 96 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -56.1 | -43.7 | 178.1 | -171.9 | -174 | -170.8 | 0 | 0 | 111.4 | A58 K65 S66 V94 | A58-E62 PolarHBondContact O-N 2.9Å; E62-K65 PolarHBondContact O-N 3.11Å; E62-S66 PolarHBondContact O-N 3.19Å; E62-V94 HydrophobicContact CB-CG1 3.88Å; E62-V94 HydrophobicContact CG-CG1 4.48Å |
| 63 | F | 96.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 178.9 | -175.5 | -107 | 0 | 0 | 0 | 112.5 | F17 K18 M21 S22 K59 C60 V61 K65 S66 F67 | F17-F63 HydrophobicContact CD1-CD1 4.13Å; F17-F63 HydrophobicContact CE1-CB 4.41Å; F17-F63 AromaticContact CE1-CD1 3.89Å; F17-F63 HydrophobicContact CE1-CD1 3.89Å; K18-F63 HydrophobicContact CB-CD2 4.4Å; K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CE2 4.04Å; K18-F63 HydrophobicContact CB-CZ 3.96Å; K18-F63 HydrophobicContact CD-CD2 3.98Å; K18-F63 HydrophobicContact CD-CE2 4.18Å; K18-F63 HydrophobicContact CG-CD1 4.18Å; K18-F63 HydrophobicContact CG-CD2 3.72Å; K18-F63 HydrophobicContact CG-CE1 4.31Å; K18-F63 HydrophobicContact CG-CE2 3.86Å; K18-F63 HydrophobicContact CG-CG 3.87Å; K18-F63 HydrophobicContact CG-CZ 4.15Å; K18-F63 WeakPolarHBondContact O-CZ 3.47Å; M21-F63 HydrophobicContact CB-CD1 4.25Å; M21-F63 HydrophobicContact CB-CE1 3.75Å; S22-F63 WeakPolarHBondContact OG-CZ 3.33Å; K59-F63 VanDerWaalsContact O-CB 3.26Å; K59-F63 WeakPolarHBondContact O-CB 3.3Å; K59-F63 PolarHBondContact O-N 3.38Å; C60-F63 PolarHBondContact O-N 2.89Å; V61-F63 VanDerWaalsContact C-N 3.28Å; V61-F63 PolarHBondContact O-N 2.88Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.9Å; F63-S66 WeakPolarHBondContact O-CB 3.37Å; F63-S66 PolarHBondContact O-N 3.29Å; F63-S66 PolarHBondContact O-OG 3.2Å; F63-F67 AromaticContact CD1-CE2 3.86Å; F63-F67 HydrophobicContact CD1-CE2 3.86Å; F63-F67 HydrophobicContact CD1-CZ 4.36Å; F63-F67 AromaticContact CE1-CE2 3.51Å; F63-F67 HydrophobicContact CE1-CE2 3.51Å; F63-F67 AromaticContact CE1-CZ 3.57Å; F63-F67 HydrophobicContact CE1-CZ 3.57Å; F63-F67 HydrophobicContact CE2-CZ 4.34Å; F63-F67 AromaticContact CZ-CE2 3.91Å; F63-F67 HydrophobicContact CZ-CE2 3.91Å; F63-F67 AromaticContact CZ-CZ 3.57Å; F63-F67 HydrophobicContact CZ-CZ 3.57Å; F63-F67 WeakPolarHBondContact O-CD2 3.47Å; F63-F67 WeakPolarHBondContact O-CE2 3.38Å |
| 64 | V | 95.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.4 | -35.4 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | F17 M25 V33 L35 C60 V61 S66 F67 M71 | F17-V64 HydrophobicContact CE1-CG2 4.12Å; F17-V64 HydrophobicContact CZ-CG2 3.94Å; M25-V64 HydrophobicContact CE-CG1 4.45Å; V33-V64 HydrophobicContact CB-CG1 4.37Å; V33-V64 HydrophobicContact CG1-CG1 3.63Å; L35-V64 HydrophobicContact CD1-CG2 4.41Å; L35-V64 HydrophobicContact CD2-CB 4.28Å; L35-V64 HydrophobicContact CD2-CG2 4.34Å; C60-V64 VanDerWaalsContact O-CG2 3.32Å; C60-V64 WeakPolarHBondContact O-CG2 3.5Å; C60-V64 PolarHBondContact O-N 3.35Å; V61-V64 PolarHBondContact O-N 2.84Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 2.9Å; V64-F67 WeakPolarHBondContact O-CD2 3.36Å; V64-F67 PolarHBondContact O-N 2.95Å; V64-M71 HydrophobicContact CB-CE 4.02Å; V64-M71 HydrophobicContact CG1-CE 3.62Å; V64-M71 HydrophobicContact CG1-SD 4.48Å |
| 65 | K | 95.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 177.7 | -176.5 | 175 | 176.2 | -69.4 | 0 | 112.3 | V61 E62 F63 F67 N68 M71 V94 A95 D97 | V61-K65 VanDerWaalsContact O-CB 3.24Å; V61-K65 WeakPolarHBondContact O-CB 3.45Å; V61-K65 PolarHBondContact O-N 3.13Å; E62-K65 PolarHBondContact O-N 3.11Å; F63-K65 VanDerWaalsContact C-N 3.26Å; F63-K65 PolarHBondContact O-N 2.9Å; K65-F67 PolarHBondContact O-N 3.41Å; K65-F67 VanDerWaalsContact O-N 3.08Å; K65-N68 PolarHBondContact O-N 3.49Å; K65-M71 HydrophobicContact CB-CE 3.78Å; K65-M71 VanDerWaalsContact N-CE 3.32Å; K65-V94 WeakPolarHBondContact CE-O 3.39Å; K65-A95 WeakPolarHBondContact CE-O 3.32Å; K65-D97 IonicContact NZ-OD1 3.88Å; K65-D97 PolarHBondContact NZ-OD1 3.43Å; K65-D97 IonicContact NZ-OD2 2.61Å; K65-D97 PolarHBondContact NZ-OD2 2.91Å |
| 66 | S | 96 | Very high | 96 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.8 | 178.3 | 79.1 | 0 | 0 | 0 | 0 | 114.7 | E62 F63 V64 N68 | E62-S66 PolarHBondContact O-N 3.19Å; F63-S66 WeakPolarHBondContact O-CB 3.37Å; F63-S66 PolarHBondContact O-N 3.29Å; F63-S66 PolarHBondContact O-OG 3.2Å; V64-S66 VanDerWaalsContact C-N 3.3Å; V64-S66 PolarHBondContact O-N 2.9Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.95Å; S66-N68 PolarHBondContact O-ND2 3.4Å; S66-N68 VanDerWaalsContact O-ND2 3.16Å |
| 67 | F | 94.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.9 | 176.2 | -64 | -74.4 | 0 | 0 | 0 | 113.9 | M25 F63 V64 K65 L69 | M25-F67 HydrophobicContact CB-CD1 4.23Å; M25-F67 HydrophobicContact CB-CE1 3.96Å; M25-F67 HydrophobicContact CB-CZ 4.35Å; M25-F67 HydrophobicContact CE-CD2 3.78Å; M25-F67 HydrophobicContact CE-CE2 4.15Å; M25-F67 HydrophobicContact CE-CG 4.21Å; M25-F67 HydrophobicContact CG-CD1 3.88Å; M25-F67 HydrophobicContact CG-CD2 4.06Å; M25-F67 HydrophobicContact CG-CE1 3.71Å; M25-F67 HydrophobicContact CG-CE2 3.91Å; M25-F67 HydrophobicContact CG-CG 4.06Å; M25-F67 HydrophobicContact CG-CZ 3.73Å; F63-F67 AromaticContact CD1-CE2 3.86Å; F63-F67 HydrophobicContact CD1-CE2 3.86Å; F63-F67 HydrophobicContact CD1-CZ 4.36Å; F63-F67 AromaticContact CE1-CE2 3.51Å; F63-F67 HydrophobicContact CE1-CE2 3.51Å; F63-F67 AromaticContact CE1-CZ 3.57Å; F63-F67 HydrophobicContact CE1-CZ 3.57Å; F63-F67 HydrophobicContact CE2-CZ 4.34Å; F63-F67 AromaticContact CZ-CE2 3.91Å; F63-F67 HydrophobicContact CZ-CE2 3.91Å; F63-F67 AromaticContact CZ-CZ 3.57Å; F63-F67 HydrophobicContact CZ-CZ 3.57Å; F63-F67 WeakPolarHBondContact O-CD2 3.47Å; F63-F67 WeakPolarHBondContact O-CE2 3.38Å; V64-F67 WeakPolarHBondContact O-CD2 3.36Å; V64-F67 PolarHBondContact O-N 2.95Å; K65-F67 PolarHBondContact O-N 3.41Å; K65-F67 VanDerWaalsContact O-N 3.08Å; F67-L69 VanDerWaalsContact C-N 3.27Å; F67-L69 PolarHBondContact O-N 3.13Å |
| 68 | N | 94.4 | Very high | 95.8 | Very high | 144 Ų | 144 | 56.4 Ų | 56.4 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | trans | 54 | 38.6 | 177.3 | -57.6 | -63.5 | 0 | 0 | 0 | 114.2 | K65 S66 | K65-N68 PolarHBondContact O-N 3.49Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.95Å; S66-N68 PolarHBondContact O-ND2 3.4Å; S66-N68 VanDerWaalsContact O-ND2 3.16Å | ||
| 69 | L | 94.5 | Very high | 95.8 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | trans | -99.2 | 152.8 | 172 | -67 | 173.9 | 0 | 0 | 0 | 110.4 | M25 P30 V33 F67 M71 | M25-L69 HydrophobicContact SD-CD1 4.27Å; P30-L69 HydrophobicContact CG-CD1 4.03Å; P30-L69 VanDerWaalsContact O-CD1 3.28Å; P30-L69 WeakPolarHBondContact O-CD1 3.44Å; V33-L69 HydrophobicContact CG2-CB 4.14Å; V33-L69 HydrophobicContact CG2-CD1 3.89Å; F67-L69 VanDerWaalsContact C-N 3.27Å; F67-L69 PolarHBondContact O-N 3.13Å; L69-M71 PolarHBondContact O-N 3.32Å; L69-M71 VanDerWaalsContact O-N 3.09Å | ||
| 70 | P | 96.9 | Very high | 95.6 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | trans | -48.6 | 118.6 | 166.2 | -25.2 | 33 | 0 | 0 | 0 | 110.3 | S31 A32 V33 | S31-P70 WeakPolarHBondContact O-CD 3.48Å; A32-P70 CarbonylContact C-O 3.55Å; A32-P70 WeakPolarHBondContact CA-O 3.32Å; A32-P70 HydrophobicContact CB-CB 4.25Å; V33-P70 PolarHBondContact N-O 3.21Å | ||
| 71 | M | 95.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.8 | -175.3 | -174 | -172.4 | -52.8 | 0 | 0 | 110.7 | V33 L35 V64 K65 L69 M73 | V33-M71 CarbonylContact O-C 3.53Å; V33-M71 VanDerWaalsContact O-CA 3.3Å; V33-M71 WeakPolarHBondContact O-CA 3.21Å; L35-M71 HydrophobicContact CD2-SD 4.4Å; V64-M71 HydrophobicContact CB-CE 4.02Å; V64-M71 HydrophobicContact CG1-CE 3.62Å; V64-M71 HydrophobicContact CG1-SD 4.48Å; K65-M71 HydrophobicContact CB-CE 3.78Å; K65-M71 VanDerWaalsContact N-CE 3.32Å; L69-M71 PolarHBondContact O-N 3.32Å; L69-M71 VanDerWaalsContact O-N 3.09Å; M71-M73 HydrophobicContact CG-CG 4.14Å; M71-M73 HydrophobicContact SD-CG 3.61Å; M71-M73 HydrophobicContact SD-SD 4.08Å |
| 72 | L | 97.3 | Very high | 95.4 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.1 | 165.7 | 178.3 | 62.1 | 0 | 0 | 0 | 108.9 | V33 V34 L35 L74 | V33-L72 PolarHBondContact O-N 3.33Å; V34-L72 CarbonylContact C-O 3.56Å; V34-L72 WeakPolarHBondContact CA-O 3.26Å; V34-L72 HydrophobicContact CG1-CD2 4.4Å; V34-L72 HydrophobicContact CG2-CB 4.36Å; V34-L72 HydrophobicContact CG2-CD2 4.48Å; L35-L72 PolarHBondContact N-O 3.01Å; L72-L74 HydrophobicContact CD1-CD2 4.22Å; L72-L74 HydrophobicContact CD2-CD2 4.08Å; L72-L74 HydrophobicContact CD2-CG 4.46Å; L72-L74 HydrophobicContact CG-CD2 3.93Å; L72-L74 HydrophobicContact CG-CG 4.22Å |
| 73 | M | 97.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 30% | 0.3 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.6 | 174 | -66.2 | 175.1 | 63.9 | 0 | 0 | 109.5 | L35 V61 M71 E91 A95 | L35-M73 WeakPolarHBondContact O-CA 3.47Å; V61-M73 HydrophobicContact CB-CE 4.37Å; V61-M73 HydrophobicContact CG1-CE 3.42Å; V61-M73 VanDerWaalsContact CG1-CE 3.42Å; V61-M73 HydrophobicContact CG1-SD 3.83Å; V61-M73 HydrophobicContact CG2-CE 4Å; M71-M73 HydrophobicContact CG-CG 4.14Å; M71-M73 HydrophobicContact SD-CG 3.61Å; M71-M73 HydrophobicContact SD-SD 4.08Å; M73-E91 HydrophobicContact CE-CB 4.03Å; M73-A95 HydrophobicContact SD-CB 3.77Å |
| 74 | L | 97.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.1 | 177.4 | -59.2 | 177.2 | 0 | 0 | 0 | 109.3 | V34 L35 C37 L72 | V34-L74 HydrophobicContact CG1-CD1 3.64Å; V34-L74 HydrophobicContact CG1-CG 4.19Å; L35-L74 PolarHBondContact O-N 3.37Å; C37-L74 WeakPolarHBondContact CB-O 3.47Å; C37-L74 PolarHBondContact N-O 2.62Å; L72-L74 HydrophobicContact CD1-CD2 4.22Å; L72-L74 HydrophobicContact CD2-CD2 4.08Å; L72-L74 HydrophobicContact CD2-CG 4.46Å; L72-L74 HydrophobicContact CG-CD2 3.93Å; L72-L74 HydrophobicContact CG-CG 4.22Å |
| 75 | G | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 34% | 0.34 | 35% | 0.349 | S | S | . | . | trans | -76.1 | -147 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q36 | Q36-G75 WeakPolarHBondContact CG-O 3.09Å; Q36-G75 PolarHBondContact NE2-O 2.63Å | ||
| 76 | G | 94 | Very high | 95.3 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 45% | 0.454 | 34% | 0.341 | S | S | . | . | trans | 154.9 | -141.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 77 | D | 94.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 56.5 Ų | 56.5 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -62.5 | 149.1 | -176.7 | -73.1 | -56.4 | 0 | 0 | 0 | 113.1 | G38 S39 D40 Y79 | G38-D77 CarbonylContact C-O 3.57Å; S39-D77 CarbonylContact C-O 3.59Å; S39-D77 PolarHBondContact N-O 2.69Å; D40-D77 HydrophobicContact CB-CB 3.91Å; D40-D77 PolarHBondContact N-O 3.18Å; D40-D77 WeakPolarHBondContact OD2-CB 3.13Å; D77-Y79 HydrophobicContact CB-CE2 3.91Å; D77-Y79 PolarHBondContact OD1-OH 2.86Å | ||
| 78 | G | 94.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | trans | 168.2 | 107 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 79 | Y | 95.4 | Very high | 95.7 | Very high | 90 Ų | 90 | 55 Ų | 55 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -105.7 | -14.8 | -166.3 | -59.8 | -82.7 | 0 | 0 | 0 | 112.9 | D40 D45 R46 L47 D77 I81 | D40-Y79 HydrophobicContact CB-CD2 4.17Å; D40-Y79 HydrophobicContact CB-CE2 4.23Å; D45-Y79 WeakPolarHBondContact OD1-CA 3.22Å; D45-Y79 PolarHBondContact OD1-N 3.42Å; R46-Y79 WeakPolarHBondContact CD-O 3.49Å; L47-Y79 HydrophobicContact CB-CD2 3.76Å; L47-Y79 HydrophobicContact CB-CE2 4.14Å; L47-Y79 HydrophobicContact CB-CG 4.26Å; L47-Y79 HydrophobicContact CD1-CD1 3.74Å; L47-Y79 HydrophobicContact CD1-CD2 3.69Å; L47-Y79 HydrophobicContact CD1-CE1 3.63Å; L47-Y79 HydrophobicContact CD1-CE2 3.61Å; L47-Y79 HydrophobicContact CD1-CG 3.76Å; L47-Y79 HydrophobicContact CG-CD1 4.24Å; L47-Y79 HydrophobicContact CG-CD2 3.8Å; L47-Y79 HydrophobicContact CG-CE2 4.21Å; L47-Y79 HydrophobicContact CG-CG 3.83Å; D77-Y79 HydrophobicContact CB-CE2 3.91Å; D77-Y79 PolarHBondContact OD1-OH 2.86Å; Y79-I81 PolarHBondContact O-N 3.41Å |
| 80 | T | 93.5 | Very high | 95.8 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -94.4 | 82.4 | 165.6 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | G44 D45 R46 H82 N83 V84 | G44-T80 PolarHBondContact O-OG1 3.03Å; D45-T80 WeakPolarHBondContact CA-OG1 3.34Å; D45-T80 PolarHBondContact OD1-N 3.26Å; R46-T80 PolarHBondContact N-OG1 3.44Å; T80-H82 VanDerWaalsContact C-N 3.28Å; T80-H82 WeakPolarHBondContact CG2-CE1 3.15Å; T80-H82 VanDerWaalsContact CG2-NE2 3.34Å; T80-H82 WeakPolarHBondContact CG2-NE2 3.16Å; T80-H82 PolarHBondContact O-N 2.98Å; T80-N83 HydrophobicContact CG2-CB 4.04Å; T80-N83 WeakPolarHBondContact O-CA 3.22Å; T80-N83 WeakPolarHBondContact O-CB 3.44Å; T80-N83 PolarHBondContact O-N 3.33Å; T80-V84 PolarHBondContact O-N 3.32Å; T80-V84 VanDerWaalsContact O-N 3.14Å |
| 81 | I | 94.4 | Very high | 95.8 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 56% | 0.564 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -51.6 | -35.7 | -167.7 | 61.7 | 175.3 | 0 | 0 | 0 | 115.6 | Y79 N83 V84 A85 | Y79-I81 PolarHBondContact O-N 3.41Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.35Å; I81-V84 WeakPolarHBondContact O-CB 2.97Å; I81-V84 PolarHBondContact O-N 2.86Å; I81-A85 PolarHBondContact O-N 2.64Å |
| 82 | H | 93.9 | Very high | 95.9 | Very high | 69 Ų | 69 | 51.7 Ų | 51.7 | 32% | 0.319 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.9 | -31.1 | 178.2 | 54.1 | 69.4 | 0 | 0 | 0 | 112.1 | T80 R86 F113 | T80-H82 VanDerWaalsContact C-N 3.28Å; T80-H82 WeakPolarHBondContact CG2-CE1 3.15Å; T80-H82 VanDerWaalsContact CG2-NE2 3.34Å; T80-H82 WeakPolarHBondContact CG2-NE2 3.16Å; T80-H82 PolarHBondContact O-N 2.98Å; H82-R86 PolarHBondContact ND1-NH1 2.98Å; H82-R86 WeakPolarHBondContact O-CD 3.18Å; H82-R86 VanDerWaalsContact O-CG 3.25Å; H82-R86 WeakPolarHBondContact O-CG 3.37Å; H82-R86 PolarHBondContact O-N 2.91Å; H82-F113 HydrophobicContact CB-CD1 4.17Å; H82-F113 HydrophobicContact CB-CE1 4.15Å; H82-F113 WeakPolarHBondContact O-CE1 3.46Å |
| 83 | N | 94.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.4 | -35.1 | 174.3 | -69.5 | -6.2 | 0 | 0 | 0 | 110.9 | L42 T80 I81 R86 C87 | L42-N83 HydrophobicContact CD1-CB 4.15Å; T80-N83 HydrophobicContact CG2-CB 4.04Å; T80-N83 WeakPolarHBondContact O-CA 3.22Å; T80-N83 WeakPolarHBondContact O-CB 3.44Å; T80-N83 PolarHBondContact O-N 3.33Å; I81-N83 VanDerWaalsContact C-N 3.32Å; I81-N83 PolarHBondContact O-N 3.35Å; N83-R86 PolarHBondContact O-N 3.23Å; N83-R86 PolarHBondContact OD1-NH1 3.46Å; N83-C87 VanDerWaalsContact O-CB 3.32Å; N83-C87 WeakPolarHBondContact O-CB 3.29Å; N83-C87 PolarHBondContact O-N 2.78Å |
| 84 | V | 96.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | T80 I81 R86 C87 W88 | T80-V84 PolarHBondContact O-N 3.32Å; T80-V84 VanDerWaalsContact O-N 3.14Å; I81-V84 WeakPolarHBondContact O-CB 2.97Å; I81-V84 PolarHBondContact O-N 2.86Å; V84-R86 VanDerWaalsContact C-N 3.33Å; V84-R86 PolarHBondContact O-N 3.1Å; V84-C87 WeakPolarHBondContact O-CB 3.48Å; V84-C87 PolarHBondContact O-N 3.31Å; V84-C87 VanDerWaalsContact O-N 3.15Å; V84-W88 HydrophobicContact CG1-CD2 3.72Å; V84-W88 HydrophobicContact CG1-CE3 3.7Å; V84-W88 HydrophobicContact CG1-CH2 3.56Å; V84-W88 HydrophobicContact CG1-CZ2 3.58Å; V84-W88 HydrophobicContact CG1-CZ3 3.62Å; V84-W88 PolarHBondContact O-N 2.9Å |
| 85 | A | 95.9 | Very high | 95.8 | Very high | 40 Ų | 40 | 43.6 Ų | 43.6 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I81 T89 F113 | I81-A85 PolarHBondContact O-N 2.64Å; A85-T89 WeakPolarHBondContact O-CB 3.3Å; A85-T89 PolarHBondContact O-N 3.17Å; A85-T89 VanDerWaalsContact O-N 3.1Å; A85-T89 PolarHBondContact O-OG1 3.2Å; A85-F113 HydrophobicContact CB-CE1 4.17Å; A85-F113 HydrophobicContact CB-CZ 4.09Å |
| 86 | R | 96.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.1 | -69.2 | 165.3 | 172.5 | 128.9 | 4.5 | 112.3 | I54 H82 N83 V84 Y90 F113 K118 L119 | I54-R86 HydrophobicContact CD1-CB 3.49Å; I54-R86 VanDerWaalsContact CD1-CB 3.49Å; I54-R86 HydrophobicContact CD1-CG 4.47Å; H82-R86 PolarHBondContact ND1-NH1 2.98Å; H82-R86 WeakPolarHBondContact O-CD 3.18Å; H82-R86 VanDerWaalsContact O-CG 3.25Å; H82-R86 WeakPolarHBondContact O-CG 3.37Å; H82-R86 PolarHBondContact O-N 2.91Å; N83-R86 PolarHBondContact O-N 3.23Å; N83-R86 PolarHBondContact OD1-NH1 3.46Å; V84-R86 VanDerWaalsContact C-N 3.33Å; V84-R86 PolarHBondContact O-N 3.1Å; R86-Y90 WeakPolarHBondContact O-CB 3.35Å; R86-Y90 PolarHBondContact O-N 3.45Å; R86-F113 HydrophobicContact CG-CD1 4.19Å; R86-F113 HydrophobicContact CG-CE1 4.04Å; R86-F113 PolarHBondContact NH2-O 3.06Å; R86-K118 PolarHBondContact NE-O 3.02Å; R86-L119 HydrophobicContact CB-CD1 3.96Å; R86-L119 WeakPolarHBondContact CB-O 3.31Å; R86-L119 VanDerWaalsContact CD-O 3.26Å; R86-L119 WeakPolarHBondContact CD-O 3.38Å; R86-L119 HydrophobicContact CG-CD1 4.2Å; R86-L119 WeakPolarHBondContact CG-O 3.46Å |
| 87 | C | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -60.1 | -178.4 | -164.1 | 0 | 0 | 0 | 0 | 111 | L42 I54 N83 V84 T89 Y90 E91 | L42-C87 HydrophobicContact CD1-CB 3.79Å; I54-C87 HydrophobicContact CG1-CB 4.39Å; N83-C87 VanDerWaalsContact O-CB 3.32Å; N83-C87 WeakPolarHBondContact O-CB 3.29Å; N83-C87 PolarHBondContact O-N 2.78Å; V84-C87 WeakPolarHBondContact O-CB 3.48Å; V84-C87 PolarHBondContact O-N 3.31Å; V84-C87 VanDerWaalsContact O-N 3.15Å; C87-T89 VanDerWaalsContact C-N 3.27Å; C87-T89 PolarHBondContact O-N 3.36Å; C87-Y90 PolarHBondContact O-N 3.03Å; C87-E91 WeakPolarHBondContact O-CG 3.47Å; C87-E91 PolarHBondContact O-N 2.68Å |
| 88 | W | 97.4 | Very high | 96 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 36% | 0.36 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.3 | -31.3 | -176.4 | -62.8 | -17.2 | 0 | 0 | 0 | 112.3 | C37 V84 E91 T92 | C37-W88 PolarHBondContact O-NE1 3.16Å; V84-W88 HydrophobicContact CG1-CD2 3.72Å; V84-W88 HydrophobicContact CG1-CE3 3.7Å; V84-W88 HydrophobicContact CG1-CH2 3.56Å; V84-W88 HydrophobicContact CG1-CZ2 3.58Å; V84-W88 HydrophobicContact CG1-CZ3 3.62Å; V84-W88 PolarHBondContact O-N 2.9Å; W88-E91 VanDerWaalsContact CD1-OE2 3.32Å; W88-T92 WeakPolarHBondContact O-CB 3.37Å; W88-T92 PolarHBondContact O-N 3.33Å; W88-T92 PolarHBondContact O-OG1 3.16Å |
| 89 | T | 97.1 | Very high | 96 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 171 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | A85 C87 T92 A93 I100 | A85-T89 WeakPolarHBondContact O-CB 3.3Å; A85-T89 PolarHBondContact O-N 3.17Å; A85-T89 VanDerWaalsContact O-N 3.1Å; A85-T89 PolarHBondContact O-OG1 3.2Å; C87-T89 VanDerWaalsContact C-N 3.27Å; C87-T89 PolarHBondContact O-N 3.36Å; T89-T92 PolarHBondContact O-N 3.3Å; T89-A93 PolarHBondContact O-N 2.87Å; T89-A93 VanDerWaalsContact O-N 3.14Å; T89-I100 HydrophobicContact CG2-CD1 4.17Å |
| 90 | Y | 97.6 | Very high | 96 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 179.3 | -171.7 | -112.8 | 0 | 0 | 0 | 112.4 | I54 K55 A58 R86 C87 T92 A93 V94 I100 L119 H120 | I54-Y90 HydrophobicContact CG2-CD1 3.54Å; I54-Y90 HydrophobicContact CG2-CE1 4.48Å; I54-Y90 HydrophobicContact CG2-CG 3.82Å; K55-Y90 HydrophobicContact CG-CE1 4.4Å; A58-Y90 HydrophobicContact CB-CD1 3.5Å; A58-Y90 HydrophobicContact CB-CE1 3.6Å; R86-Y90 WeakPolarHBondContact O-CB 3.35Å; R86-Y90 PolarHBondContact O-N 3.45Å; C87-Y90 PolarHBondContact O-N 3.03Å; Y90-T92 VanDerWaalsContact C-N 3.3Å; Y90-T92 PolarHBondContact O-N 3.2Å; Y90-A93 WeakPolarHBondContact O-CB 3.48Å; Y90-A93 PolarHBondContact O-N 3.2Å; Y90-A93 VanDerWaalsContact O-N 3.12Å; Y90-V94 HydrophobicContact CD1-CG2 4.4Å; Y90-V94 HydrophobicContact CE1-CG2 4.14Å; Y90-V94 WeakPolarHBondContact O-CG2 3.46Å; Y90-V94 PolarHBondContact O-N 3.42Å; Y90-I100 HydrophobicContact CD2-CD1 4.1Å; Y90-I100 HydrophobicContact CD2-CG1 4.05Å; Y90-I100 HydrophobicContact CE2-CG1 4.49Å; Y90-L119 HydrophobicContact CD2-CD2 3.8Å; Y90-L119 HydrophobicContact CG-CD2 4.39Å; Y90-H120 AromaticContact CD2-CE1 3.84Å; Y90-H120 AromaticContact CE2-CE1 3.57Å; Y90-H120 AromaticContact CZ-CE1 3.71Å |
| 91 | E | 97.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.019 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 175.7 | -70 | -177.1 | 142.7 | 0 | 0 | 112.5 | C37 H57 A58 V61 M73 C87 W88 A93 V94 A95 | C37-E91 WeakPolarHBondContact CB-OE2 3.46Å; H57-E91 IonicContact CE1-OE1 2.79Å; H57-E91 PolarHBondContact CE1-OE1 2.87Å; H57-E91 IonicContact CG-OE1 2.7Å; H57-E91 IonicContact ND1-OE1 2.61Å; H57-E91 PolarHBondContact ND1-OE1 3.49Å; A58-E91 HydrophobicContact CB-CG 4.13Å; V61-E91 HydrophobicContact CG2-CB 4.45Å; V61-E91 HydrophobicContact CG2-CG 4.06Å; V61-E91 WeakPolarHBondContact CG2-OE1 3.46Å; M73-E91 HydrophobicContact CE-CB 4.03Å; C87-E91 WeakPolarHBondContact O-CG 3.47Å; C87-E91 PolarHBondContact O-N 2.68Å; W88-E91 VanDerWaalsContact CD1-OE2 3.32Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-V94 WeakPolarHBondContact O-CB 3.22Å; E91-V94 PolarHBondContact O-N 3.39Å; E91-A95 PolarHBondContact O-N 2.88Å |
| 92 | T | 97.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 60 Ų | 60 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.2 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | W88 T89 Y90 V94 A95 L96 | W88-T92 WeakPolarHBondContact O-CB 3.37Å; W88-T92 PolarHBondContact O-N 3.33Å; W88-T92 PolarHBondContact O-OG1 3.16Å; T89-T92 PolarHBondContact O-N 3.3Å; Y90-T92 VanDerWaalsContact C-N 3.3Å; Y90-T92 PolarHBondContact O-N 3.2Å; T92-V94 VanDerWaalsContact C-N 3.3Å; T92-V94 PolarHBondContact O-N 3.37Å; T92-A95 WeakPolarHBondContact O-CB 3.34Å; T92-A95 PolarHBondContact O-N 3.3Å; T92-L96 HydrophobicContact CG2-CD1 4.15Å; T92-L96 VanDerWaalsContact O-CG 3.32Å; T92-L96 WeakPolarHBondContact O-CG 3.45Å; T92-L96 PolarHBondContact O-N 2.93Å |
| 93 | A | 97.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T89 Y90 E91 L96 D97 T98 I100 | T89-A93 PolarHBondContact O-N 2.87Å; T89-A93 VanDerWaalsContact O-N 3.14Å; Y90-A93 WeakPolarHBondContact O-CB 3.48Å; Y90-A93 PolarHBondContact O-N 3.2Å; Y90-A93 VanDerWaalsContact O-N 3.12Å; E91-A93 VanDerWaalsContact C-N 3.33Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-D97 PolarHBondContact O-N 2.94Å; A93-D97 VanDerWaalsContact O-N 3.13Å; A93-T98 WeakPolarHBondContact CB-O 3.48Å; A93-T98 PolarHBondContact O-N 3.1Å; A93-T98 PolarHBondContact O-OG1 3.3Å; A93-I100 HydrophobicContact CB-CD1 3.76Å; A93-I100 HydrophobicContact CB-CG1 3.9Å; A93-I100 HydrophobicContact CB-CG2 3.93Å |
| 94 | V | 96.8 | Very high | 96.1 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 172.8 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | A58 V61 E62 K65 Y90 E91 T92 L96 D97 | A58-V94 HydrophobicContact CB-CG2 4.18Å; V61-V94 HydrophobicContact CB-CG1 4.47Å; V61-V94 HydrophobicContact CG1-CG1 4.2Å; E62-V94 HydrophobicContact CB-CG1 3.88Å; E62-V94 HydrophobicContact CG-CG1 4.48Å; K65-V94 WeakPolarHBondContact CE-O 3.39Å; Y90-V94 HydrophobicContact CD1-CG2 4.4Å; Y90-V94 HydrophobicContact CE1-CG2 4.14Å; Y90-V94 WeakPolarHBondContact O-CG2 3.46Å; Y90-V94 PolarHBondContact O-N 3.42Å; E91-V94 WeakPolarHBondContact O-CB 3.22Å; E91-V94 PolarHBondContact O-N 3.39Å; T92-V94 VanDerWaalsContact C-N 3.3Å; T92-V94 PolarHBondContact O-N 3.37Å; V94-L96 PolarHBondContact O-N 3.49Å; V94-D97 PolarHBondContact O-N 3.12Å |
| 95 | A | 95.1 | Very high | 96.1 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 31% | 0.306 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K65 M73 E91 T92 | K65-A95 WeakPolarHBondContact CE-O 3.32Å; M73-A95 HydrophobicContact SD-CB 3.77Å; E91-A95 PolarHBondContact O-N 2.88Å; T92-A95 WeakPolarHBondContact O-CB 3.34Å; T92-A95 PolarHBondContact O-N 3.3Å |
| 96 | L | 96.6 | Very high | 96 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -3.3 | 178.1 | -64.1 | 172.3 | 0 | 0 | 0 | 114.2 | T92 A93 V94 T98 | T92-L96 HydrophobicContact CG2-CD1 4.15Å; T92-L96 VanDerWaalsContact O-CG 3.32Å; T92-L96 WeakPolarHBondContact O-CG 3.45Å; T92-L96 PolarHBondContact O-N 2.93Å; A93-L96 PolarHBondContact O-N 3.14Å; V94-L96 PolarHBondContact O-N 3.49Å; L96-T98 HydrophobicContact CB-CG2 4.06Å; L96-T98 PolarHBondContact O-N 3.25Å |
| 97 | D | 95.4 | Very high | 95.9 | Very high | 128 Ų | 128 | 74.4 Ų | 74.4 | 68% | 0.684 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.5 | -170.7 | -61.7 | -52.5 | 0 | 0 | 0 | 113.6 | K65 A93 V94 | K65-D97 IonicContact NZ-OD1 3.88Å; K65-D97 PolarHBondContact NZ-OD1 3.43Å; K65-D97 IonicContact NZ-OD2 2.61Å; K65-D97 PolarHBondContact NZ-OD2 2.91Å; A93-D97 PolarHBondContact O-N 2.94Å; A93-D97 VanDerWaalsContact O-N 3.13Å; V94-D97 PolarHBondContact O-N 3.12Å |
| 98 | T | 95.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 81.3 Ų | 81.3 | 44% | 0.442 | 43% | 0.426 | S | S | . | . | trans | -111.4 | 130.4 | 179.7 | 56.6 | 0 | 0 | 0 | 0 | 111.1 | A93 L96 | A93-T98 WeakPolarHBondContact CB-O 3.48Å; A93-T98 PolarHBondContact O-N 3.1Å; A93-T98 PolarHBondContact O-OG1 3.3Å; L96-T98 HydrophobicContact CB-CG2 4.06Å; L96-T98 PolarHBondContact O-N 3.25Å | ||
| 99 | E | 94.3 | Very high | 95.6 | Very high | 201 Ų | 201 | 84.2 Ų | 84.2 | 94% | 0.939 | 44% | 0.439 | S | S | * | . | trans | -79.5 | 130.6 | 170.2 | -72.1 | -174.6 | -176.4 | 0 | 0 | 110.7 | ||||
| 100 | I | 96.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 82.6 Ų | 82.6 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | trans | -114.7 | 143.7 | 175.4 | 57.3 | 172.1 | 0 | 0 | 0 | 110.8 | T89 Y90 A93 L119 | T89-I100 HydrophobicContact CG2-CD1 4.17Å; Y90-I100 HydrophobicContact CD2-CD1 4.1Å; Y90-I100 HydrophobicContact CD2-CG1 4.05Å; Y90-I100 HydrophobicContact CE2-CG1 4.49Å; A93-I100 HydrophobicContact CB-CD1 3.76Å; A93-I100 HydrophobicContact CB-CG1 3.9Å; A93-I100 HydrophobicContact CB-CG2 3.93Å; I100-L119 HydrophobicContact CD1-CD2 3.44Å; I100-L119 VanDerWaalsContact CD1-CD2 3.44Å; I100-L119 HydrophobicContact CG1-CD2 3.82Å | ||
| 101 | P | 95.7 | Very high | 95.2 | Very high | 96 Ų | 96 | 86 Ų | 86 | 62% | 0.623 | 44% | 0.443 | S | S | * | . | trans | -66.8 | 154.9 | 179.7 | 29.1 | -35.3 | 0 | 0 | 0 | 111.3 | E103 | P101-E103 PolarHBondContact O-N 3.01Š| ||
| 102 | N | 95.1 | Very high | 95 | Very high | 62 Ų | 62 | 93 Ų | 93 | 33% | 0.332 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.8 | -15.5 | 176.3 | -168.6 | 40.5 | 0 | 0 | 0 | 113.1 | K118 L119 H120 | N102-K118 CarbonylContact O-C 3.47Å; N102-K118 VanDerWaalsContact O-CA 3.22Å; N102-K118 WeakPolarHBondContact O-CA 3.44Å; N102-L119 PolarHBondContact O-N 2.84Å; N102-L119 PolarHBondContact OD1-N 3.03Å; N102-H120 WeakPolarHBondContact OD1-CB 3.4Å; N102-H120 PolarHBondContact OD1-CD2 3.05Å; N102-H120 PolarHBondContact OD1-N 2.99Å |
| 103 | E | 94.3 | Very high | 94.8 | Very high | 111 Ų | 111 | 90.3 Ų | 90.3 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 123.9 | 174 | -58.5 | -59.9 | 154.8 | 0 | 0 | 109.5 | P101 K118 | P101-E103 PolarHBondContact O-N 3.01Å; E103-K118 IonicContact OE1-NZ 2.6Å; E103-K118 PolarHBondContact OE1-NZ 3.26Å; E103-K118 IonicContact OE2-NZ 2.63Å; E103-K118 PolarHBondContact OE2-NZ 3.22Å |
| 104 | L | 94.4 | Very high | 94.3 | Very high | 27 Ų | 27 | 91.7 Ų | 91.7 | 14% | 0.141 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 134.2 | 177.7 | -68.9 | 173.8 | 0 | 0 | 0 | 110.6 | F110 F113 F117 K118 L119 | L104-F110 HydrophobicContact CB-CE2 4.09Å; L104-F113 HydrophobicContact CD1-CB 3.43Å; L104-F113 VanDerWaalsContact CD1-CB 3.43Å; L104-F113 HydrophobicContact CD1-CD1 3.7Å; L104-F113 HydrophobicContact CD1-CD2 4.07Å; L104-F113 HydrophobicContact CD1-CE1 4.45Å; L104-F113 HydrophobicContact CD1-CG 3.46Å; L104-F113 VanDerWaalsContact CD1-CG 3.46Å; L104-F117 WeakPolarHBondContact CB-O 3.23Å; L104-F117 WeakPolarHBondContact CG-O 3.45Å; L104-F117 PolarHBondContact N-O 3.45Å; L104-F117 VanDerWaalsContact N-O 3.1Å; L104-K118 WeakPolarHBondContact CD1-O 3.32Å; L104-L119 HydrophobicContact CD2-CB 4.07Å; L104-L119 HydrophobicContact CD2-CD1 4.01Å |
| 105 | P | 94.5 | Very high | 93.9 | Very high | 96 Ų | 96 | 95.9 Ų | 95.9 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 153.4 | 170.6 | 30.5 | -34.3 | 0 | 0 | 0 | 110.3 | N107 F110 | P105-N107 PolarHBondContact O-N 2.97Å; P105-N107 PolarHBondContact O-ND2 2.96Å; P105-F110 WeakPolarHBondContact O-CD2 3.46Å |
| 106 | Y | 94.1 | Very high | 93.6 | Very high | 177 Ų | 177 | 99.4 Ų | 99.4 | 69% | 0.694 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 135.3 | 172.9 | -173.6 | -102.3 | 0 | 0 | 0 | 110.4 | F110 | Y106-F110 HydrophobicContact CD2-CB 4.14Å; Y106-F110 HydrophobicContact CD2-CD1 4.26Å; Y106-F110 HydrophobicContact CD2-CG 4.09Å; Y106-F110 HydrophobicContact CE2-CB 4.28Å |
| 107 | N | 93.8 | Very high | 93.4 | Very high | 47 Ų | 47 | 96.9 Ų | 96.9 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | trans | -152.8 | 167.8 | 179.7 | 61.8 | 77.1 | 0 | 0 | 0 | 109.4 | P105 Y109 F110 | P105-N107 PolarHBondContact O-N 2.97Å; P105-N107 PolarHBondContact O-ND2 2.96Å; N107-Y109 PolarHBondContact O-N 2.65Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.2Å; N107-Y109 PolarHBondContact OD1-N 3.05Å; N107-F110 WeakPolarHBondContact O-CB 3.12Å; N107-F110 PolarHBondContact O-N 3.09Å; N107-F110 PolarHBondContact OD1-N 3.13Å | ||
| 108 | D | 95.3 | Very high | 93.4 | Very high | 144 Ų | 144 | 93.9 Ų | 93.9 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.7 | -176.6 | -60.3 | -20.7 | 0 | 0 | 0 | 113.8 | ||
| 109 | Y | 94.6 | Very high | 93.4 | Very high | 157 Ų | 157 | 90.7 Ų | 90.7 | 62% | 0.616 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 18.8 | -179.9 | -49.9 | -67.9 | 0 | 0 | 0 | 112.3 | N107 E111 Y112 F113 | N107-Y109 PolarHBondContact O-N 2.65Å; N107-Y109 WeakPolarHBondContact OD1-CA 3.2Å; N107-Y109 PolarHBondContact OD1-N 3.05Å; Y109-E111 PolarHBondContact O-N 2.61Å; Y109-E111 VanDerWaalsContact O-N 3.16Å; Y109-Y112 HydrophobicContact CD1-CE2 4.33Å; Y109-Y112 WeakPolarHBondContact O-CB 3.44Å; Y109-Y112 PolarHBondContact O-N 3.33Å; Y109-F113 WeakPolarHBondContact O-CD2 3.5Å; Y109-F113 WeakPolarHBondContact O-CE2 3.41Å |
| 110 | F | 92.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 83.2 Ų | 83.2 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -57.7 | -36 | -170.9 | -173.8 | -103.2 | 0 | 0 | 0 | 112.6 | L104 P105 Y106 N107 Y112 F113 F117 | L104-F110 HydrophobicContact CB-CE2 4.09Å; P105-F110 WeakPolarHBondContact O-CD2 3.46Å; Y106-F110 HydrophobicContact CD2-CB 4.14Å; Y106-F110 HydrophobicContact CD2-CD1 4.26Å; Y106-F110 HydrophobicContact CD2-CG 4.09Å; Y106-F110 HydrophobicContact CE2-CB 4.28Å; N107-F110 WeakPolarHBondContact O-CB 3.12Å; N107-F110 PolarHBondContact O-N 3.09Å; N107-F110 PolarHBondContact OD1-N 3.13Å; F110-Y112 PolarHBondContact O-N 3.37Å; F110-F113 PolarHBondContact O-N 2.86Å; F110-F113 VanDerWaalsContact O-N 3.15Å; F110-F117 AromaticContact CD1-CD1 3.77Å; F110-F117 HydrophobicContact CD1-CD1 3.77Å; F110-F117 AromaticContact CD1-CE1 3.74Å; F110-F117 HydrophobicContact CD1-CE1 3.74Å; F110-F117 HydrophobicContact CD2-CD1 4.41Å; F110-F117 HydrophobicContact CE1-CB 4.46Å; F110-F117 AromaticContact CE1-CD1 3.26Å; F110-F117 HydrophobicContact CE1-CD1 3.26Å; F110-F117 AromaticContact CE1-CE1 3.49Å; F110-F117 HydrophobicContact CE1-CE1 3.49Å; F110-F117 VanDerWaalsContact CE1-CE1 3.49Å; F110-F117 AromaticContact CE1-CG 3.87Å; F110-F117 HydrophobicContact CE1-CG 3.87Å; F110-F117 HydrophobicContact CE1-CZ 4.27Å; F110-F117 HydrophobicContact CE2-CB 4.26Å; F110-F117 AromaticContact CE2-CD1 3.98Å; F110-F117 HydrophobicContact CE2-CD1 3.98Å; F110-F117 HydrophobicContact CE2-CG 4.45Å; F110-F117 HydrophobicContact CG-CD1 4.31Å; F110-F117 HydrophobicContact CZ-CB 3.78Å; F110-F117 AromaticContact CZ-CD1 3.39Å; F110-F117 HydrophobicContact CZ-CD1 3.39Å; F110-F117 HydrophobicContact CZ-CE1 4.12Å; F110-F117 AromaticContact CZ-CG 3.7Å; F110-F117 HydrophobicContact CZ-CG 3.7Å; F110-F117 WeakPolarHBondContact O-CE1 3.47Å |
| 111 | E | 93.7 | Very high | 93.2 | Very high | 125 Ų | 125 | 81.8 Ų | 81.8 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -62 | -25.4 | 179 | -65.3 | 76.4 | -166.3 | 0 | 0 | 113.3 | Y109 F113 G114 | Y109-E111 PolarHBondContact O-N 2.61Å; Y109-E111 VanDerWaalsContact O-N 3.16Å; E111-F113 PolarHBondContact O-N 3.29Å; E111-G114 PolarHBondContact O-N 3.26Å |
| 112 | Y | 92.1 | Very high | 92.9 | Very high | 151 Ų | 151 | 82.2 Ų | 82.2 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -69.1 | -17.3 | 178.7 | -74.2 | -106.5 | 0 | 0 | 0 | 112.9 | Y109 F110 | Y109-Y112 HydrophobicContact CD1-CE2 4.33Å; Y109-Y112 WeakPolarHBondContact O-CB 3.44Å; Y109-Y112 PolarHBondContact O-N 3.33Å; F110-Y112 PolarHBondContact O-N 3.37Å |
| 113 | F | 93.4 | Very high | 92.7 | Very high | 20 Ų | 20 | 82.9 Ų | 82.9 | 9% | 0.088 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -97.7 | 5.8 | -176.7 | -58.4 | -81.1 | 0 | 0 | 0 | 113.7 | H82 A85 R86 L104 Y109 F110 E111 F117 | H82-F113 HydrophobicContact CB-CD1 4.17Å; H82-F113 HydrophobicContact CB-CE1 4.15Å; H82-F113 WeakPolarHBondContact O-CE1 3.46Å; A85-F113 HydrophobicContact CB-CE1 4.17Å; A85-F113 HydrophobicContact CB-CZ 4.09Å; R86-F113 HydrophobicContact CG-CD1 4.19Å; R86-F113 HydrophobicContact CG-CE1 4.04Å; R86-F113 PolarHBondContact NH2-O 3.06Å; L104-F113 HydrophobicContact CD1-CB 3.43Å; L104-F113 VanDerWaalsContact CD1-CB 3.43Å; L104-F113 HydrophobicContact CD1-CD1 3.7Å; L104-F113 HydrophobicContact CD1-CD2 4.07Å; L104-F113 HydrophobicContact CD1-CE1 4.45Å; L104-F113 HydrophobicContact CD1-CG 3.46Å; L104-F113 VanDerWaalsContact CD1-CG 3.46Å; Y109-F113 WeakPolarHBondContact O-CD2 3.5Å; Y109-F113 WeakPolarHBondContact O-CE2 3.41Å; F110-F113 PolarHBondContact O-N 2.86Å; F110-F113 VanDerWaalsContact O-N 3.15Å; E111-F113 PolarHBondContact O-N 3.29Å; F113-F117 HydrophobicContact CB-CD1 4.44Å; F113-F117 PolarHBondContact O-N 3.34Å; F113-F117 VanDerWaalsContact O-N 3.12Å |
| 114 | G | 87.4 | Confident | 92.5 | Very high | 36 Ų | 36 | 80.3 Ų | 80.3 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 156.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E111 | E111-G114 PolarHBondContact O-N 3.26Š|
| 115 | P | 88.1 | Confident | 92.2 | Very high | 110 Ų | 110 | 87.2 Ų | 87.2 | 71% | 0.714 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.1 | -14 | 5.7 | 33 | -33.9 | 0 | 0 | 0 | 114.8 | F117 | P115-F117 WeakPolarHBondContact O-CD2 3.35Å; P115-F117 WeakPolarHBondContact O-CE2 3.35Å |
| 116 | D | 89.8 | Confident | 92 | Very high | 111 Ų | 111 | 85.9 Ų | 85.9 | 59% | 0.594 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -25.5 | -166.4 | -52.2 | -40.8 | 0 | 0 | 0 | 113.2 | K118 | D116-K118 HydrophobicContact CB-CG 4.11Å; D116-K118 WeakPolarHBondContact O-CD 3.33Å; D116-K118 VanDerWaalsContact O-CE 3.3Å; D116-K118 WeakPolarHBondContact O-CE 3.37Å; D116-K118 WeakPolarHBondContact O-CG 3.37Å; D116-K118 PolarHBondContact O-N 3.43Å; D116-K118 VanDerWaalsContact O-N 3.12Å |
| 117 | F | 92.3 | Very high | 91.9 | Very high | 65 Ų | 65 | 82.8 Ų | 82.8 | 29% | 0.285 | 44% | 0.441 | S | S | . | . | trans | 51.4 | 32.2 | -176.7 | -53.2 | -80.8 | 0 | 0 | 0 | 113.5 | L104 F110 F113 P115 | L104-F117 WeakPolarHBondContact CB-O 3.23Å; L104-F117 WeakPolarHBondContact CG-O 3.45Å; L104-F117 PolarHBondContact N-O 3.45Å; L104-F117 VanDerWaalsContact N-O 3.1Å; F110-F117 AromaticContact CD1-CD1 3.77Å; F110-F117 HydrophobicContact CD1-CD1 3.77Å; F110-F117 AromaticContact CD1-CE1 3.74Å; F110-F117 HydrophobicContact CD1-CE1 3.74Å; F110-F117 HydrophobicContact CD2-CD1 4.41Å; F110-F117 HydrophobicContact CE1-CB 4.46Å; F110-F117 AromaticContact CE1-CD1 3.26Å; F110-F117 HydrophobicContact CE1-CD1 3.26Å; F110-F117 AromaticContact CE1-CE1 3.49Å; F110-F117 HydrophobicContact CE1-CE1 3.49Å; F110-F117 VanDerWaalsContact CE1-CE1 3.49Å; F110-F117 AromaticContact CE1-CG 3.87Å; F110-F117 HydrophobicContact CE1-CG 3.87Å; F110-F117 HydrophobicContact CE1-CZ 4.27Å; F110-F117 HydrophobicContact CE2-CB 4.26Å; F110-F117 AromaticContact CE2-CD1 3.98Å; F110-F117 HydrophobicContact CE2-CD1 3.98Å; F110-F117 HydrophobicContact CE2-CG 4.45Å; F110-F117 HydrophobicContact CG-CD1 4.31Å; F110-F117 HydrophobicContact CZ-CB 3.78Å; F110-F117 AromaticContact CZ-CD1 3.39Å; F110-F117 HydrophobicContact CZ-CD1 3.39Å; F110-F117 HydrophobicContact CZ-CE1 4.12Å; F110-F117 AromaticContact CZ-CG 3.7Å; F110-F117 HydrophobicContact CZ-CG 3.7Å; F110-F117 WeakPolarHBondContact O-CE1 3.47Å; F113-F117 HydrophobicContact CB-CD1 4.44Å; F113-F117 PolarHBondContact O-N 3.34Å; F113-F117 VanDerWaalsContact O-N 3.12Å; P115-F117 WeakPolarHBondContact O-CD2 3.35Å; P115-F117 WeakPolarHBondContact O-CE2 3.35Å | ||
| 118 | K | 94.7 | Very high | 92 | Very high | 65 Ų | 65 | 82.3 Ų | 82.3 | 28% | 0.283 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -102.9 | 155.5 | 177.4 | -53.4 | -52.7 | 174.6 | -170.5 | 0 | 112.3 | R86 N102 E103 L104 D116 | R86-K118 PolarHBondContact NE-O 3.02Å; N102-K118 CarbonylContact O-C 3.47Å; N102-K118 VanDerWaalsContact O-CA 3.22Å; N102-K118 WeakPolarHBondContact O-CA 3.44Å; E103-K118 IonicContact OE1-NZ 2.6Å; E103-K118 PolarHBondContact OE1-NZ 3.26Å; E103-K118 IonicContact OE2-NZ 2.63Å; E103-K118 PolarHBondContact OE2-NZ 3.22Å; L104-K118 WeakPolarHBondContact CD1-O 3.32Å; D116-K118 HydrophobicContact CB-CG 4.11Å; D116-K118 WeakPolarHBondContact O-CD 3.33Å; D116-K118 VanDerWaalsContact O-CE 3.3Å; D116-K118 WeakPolarHBondContact O-CE 3.37Å; D116-K118 WeakPolarHBondContact O-CG 3.37Å; D116-K118 PolarHBondContact O-N 3.43Å; D116-K118 VanDerWaalsContact O-N 3.12Å |
| 119 | L | 94.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -75.5 | -48 | 174 | -178.2 | 67.6 | 0 | 0 | 0 | 111.8 | I54 R86 Y90 I100 N102 L104 | I54-L119 WeakPolarHBondContact CD1-O 3.19Å; R86-L119 HydrophobicContact CB-CD1 3.96Å; R86-L119 WeakPolarHBondContact CB-O 3.31Å; R86-L119 VanDerWaalsContact CD-O 3.26Å; R86-L119 WeakPolarHBondContact CD-O 3.38Å; R86-L119 HydrophobicContact CG-CD1 4.2Å; R86-L119 WeakPolarHBondContact CG-O 3.46Å; Y90-L119 HydrophobicContact CD2-CD2 3.8Å; Y90-L119 HydrophobicContact CG-CD2 4.39Å; I100-L119 HydrophobicContact CD1-CD2 3.44Å; I100-L119 VanDerWaalsContact CD1-CD2 3.44Å; I100-L119 HydrophobicContact CG1-CD2 3.82Å; N102-L119 PolarHBondContact O-N 2.84Å; N102-L119 PolarHBondContact OD1-N 3.03Å; L104-L119 HydrophobicContact CD2-CB 4.07Å; L104-L119 HydrophobicContact CD2-CD1 4.01Å |
| 120 | H | 94.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -83 | 139.8 | -175.3 | -64.6 | -56.1 | 0 | 0 | 0 | 112.6 | K55 Y90 N102 | K55-H120 VanDerWaalsContact CE-CD2 3.43Å; K55-H120 WeakPolarHBondContact CE-CD2 3.45Å; K55-H120 WeakPolarHBondContact CE-CE1 3.47Å; K55-H120 WeakPolarHBondContact CE-NE2 3.42Å; Y90-H120 AromaticContact CD2-CE1 3.84Å; Y90-H120 AromaticContact CE2-CE1 3.57Å; Y90-H120 AromaticContact CZ-CE1 3.71Å; N102-H120 WeakPolarHBondContact OD1-CB 3.4Å; N102-H120 PolarHBondContact OD1-CD2 3.05Å; N102-H120 PolarHBondContact OD1-N 2.99Å |
| 121 | I | 92.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 74.7 Ų | 74.7 | 14% | 0.138 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 148.6 | 171.8 | 64.8 | 177.5 | 0 | 0 | 0 | 110.4 | L42 I54 | L42-I121 HydrophobicContact CB-CD1 4.19Å; L42-I121 HydrophobicContact CD1-CD1 4.27Å; L42-I121 HydrophobicContact CD2-CD1 4.44Å; I54-I121 HydrophobicContact CD1-CB 4.45Å; I54-I121 HydrophobicContact CD1-CD1 4.42Å; I54-I121 HydrophobicContact CD1-CG1 4.02Å; I54-I121 HydrophobicContact CD1-CG2 3.95Å; I54-I121 HydrophobicContact CG1-CD1 4.14Å; I54-I121 HydrophobicContact CG1-CG1 3.99Å |
| 122 | S | 89.9 | Confident | 92.1 | Very high | 104 Ų | 104 | 74.5 Ų | 74.5 | 73% | 0.727 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 146.7 | 171.5 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 123 | P | 90.7 | Very high | 92.3 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 151.5 | 174 | 29.9 | -32.7 | 0 | 0 | 0 | 110.2 | T53 | T53-P123 HydrophobicContact CG2-CB 4.1Å; T53-P123 HydrophobicContact CG2-CG 4.16Å |
| 124 | S | 89.2 | Confident | 92.4 | Very high | 56 Ų | 56 | 76.9 Ų | 76.9 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 166 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 111.4 | S43 N51 M126 | S43-S124 PolarHBondContact OG-N 2.83Å; N51-S124 PolarHBondContact ND2-O 2.89Å; N51-S124 PolarHBondContact OD1-N 3.36Å; N51-S124 PolarHBondContact OD1-OG 2.98Å; S124-M126 PolarHBondContact O-N 2.76Å; S124-M126 VanDerWaalsContact OG-CB 3.27Å; S124-M126 WeakPolarHBondContact OG-CB 3.19Å; S124-M126 PolarHBondContact OG-N 3.45Å |
| 125 | N | 88.4 | Confident | 92.8 | Very high | 172 Ų | 172 | 75.3 Ų | 75.3 | 92% | 0.92 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -79.2 | 31.2 | 173.7 | -164.6 | 20.5 | 0 | 0 | 0 | 112.7 | ||
| 126 | M | 90.6 | Very high | 93.1 | Very high | 68 Ų | 68 | 73.8 Ų | 73.8 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | trans | -73 | 135.3 | 177.5 | -175.7 | 174.2 | -170.4 | 0 | 0 | 109.8 | D6 C49 S124 N128 | D6-M126 HydrophobicContact CB-CE 3.64Å; C49-M126 WeakPolarHBondContact O-CE 3.32Å; S124-M126 PolarHBondContact O-N 2.76Å; S124-M126 VanDerWaalsContact OG-CB 3.27Å; S124-M126 WeakPolarHBondContact OG-CB 3.19Å; S124-M126 PolarHBondContact OG-N 3.45Å; M126-N128 PolarHBondContact O-N 2.84Å | ||
| 127 | T | 92.4 | Very high | 93.4 | Very high | 113 Ų | 113 | 74.3 Ų | 74.3 | 69% | 0.693 | 39% | 0.392 | S | S | * | . | trans | -75.2 | 123.6 | 177.7 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | Q129 | T127-Q129 PolarHBondContact O-N 3.06Š| ||
| 128 | N | 94.9 | Very high | 93.6 | Very high | 36 Ų | 36 | 72 Ų | 72 | 19% | 0.193 | 38% | 0.382 | C | S | . | . | trans | -69.4 | 114.2 | 172.3 | -172.5 | -10.3 | 0 | 0 | 0 | 111.6 | G7 D9 S12 M126 N130 | G7-N128 WeakPolarHBondContact O-CA 3.5Å; G7-N128 WeakPolarHBondContact O-CB 3.4Å; G7-N128 PolarHBondContact O-OD1 3.42Å; D9-N128 VanDerWaalsContact OD2-CB 3.25Å; D9-N128 WeakPolarHBondContact OD2-CB 3.37Å; D9-N128 PolarHBondContact OD2-ND2 2.79Å; S12-N128 PolarHBondContact OG-ND2 3.18Å; M126-N128 PolarHBondContact O-N 2.84Å; N128-N130 VanDerWaalsContact C-N 3.29Å; N128-N130 WeakPolarHBondContact OD1-CA 3.36Å; N128-N130 WeakPolarHBondContact OD1-CB 3.43Å; N128-N130 PolarHBondContact OD1-N 2.61Å; N128-N130 PolarHBondContact OD1-ND2 2.88Å | ||
| 129 | Q | 94.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 70.7 Ų | 70.7 | 46% | 0.458 | 38% | 0.376 | S | S | . | . | trans | -87 | 1.2 | 179.4 | -60.2 | -172.7 | 28.5 | 0 | 0 | 113.3 | R5 D6 T127 T131 | R5-Q129 HydrophobicContact CB-CB 3.97Å; D6-Q129 PolarHBondContact O-N 3.13Å; D6-Q129 VanDerWaalsContact O-N 3.09Å; T127-Q129 PolarHBondContact O-N 3.06Å; Q129-T131 PolarHBondContact O-N 3.06Å | ||
| 130 | N | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.032 | 40% | 0.401 | C | S | . | . | trans | -92 | 90.1 | 179.1 | -56.3 | -84.9 | 0 | 0 | 0 | 109.6 | R5 D6 N128 L135 | R5-N130 PolarHBondContact N-OD1 3.32Å; R5-N130 PolarHBondContact O-ND2 2.97Å; D6-N130 PolarHBondContact O-ND2 3.32Å; N128-N130 VanDerWaalsContact C-N 3.29Å; N128-N130 WeakPolarHBondContact OD1-CA 3.36Å; N128-N130 WeakPolarHBondContact OD1-CB 3.43Å; N128-N130 PolarHBondContact OD1-N 2.61Å; N128-N130 PolarHBondContact OD1-ND2 2.88Å; N130-L135 HydrophobicContact CB-CD1 4.16Å; N130-L135 HydrophobicContact CB-CD2 3.97Å; N130-L135 HydrophobicContact CB-CG 4.09Å | ||
| 131 | T | 95.3 | Very high | 93.6 | Very high | 81 Ų | 81 | 80.8 Ų | 80.8 | 50% | 0.497 | 42% | 0.417 | S | S | . | . | trans | -66.5 | 148.6 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 110.7 | Q129 E133 Y134 L135 | Q129-T131 PolarHBondContact O-N 3.06Å; T131-E133 PolarHBondContact O-N 3.37Å; T131-Y134 WeakPolarHBondContact O-CB 3.42Å; T131-Y134 PolarHBondContact O-N 3.4Å; T131-Y134 WeakPolarHBondContact OG1-CB 3.34Å; T131-Y134 PolarHBondContact OG1-N 3.08Å; T131-L135 PolarHBondContact O-N 2.82Å | ||
| 132 | N | 94.3 | Very high | 93.7 | Very high | 120 Ų | 120 | 80.9 Ų | 80.9 | 64% | 0.642 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -55.3 | -37.7 | 177.4 | -71.4 | -29.5 | 0 | 0 | 0 | 112.3 | Y134 L135 E136 | N132-Y134 VanDerWaalsContact C-N 3.34Å; N132-Y134 PolarHBondContact O-N 3.07Å; N132-L135 PolarHBondContact O-N 3.15Å; N132-E136 WeakPolarHBondContact O-CB 3.37Å; N132-E136 VanDerWaalsContact O-CG 3.31Å; N132-E136 WeakPolarHBondContact O-CG 3.33Å; N132-E136 PolarHBondContact O-N 3.27Å |
| 133 | E | 95.1 | Very high | 93.9 | Very high | 165 Ų | 165 | 78.4 Ų | 78.4 | 77% | 0.771 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 175.7 | -63.1 | 178.8 | -176.8 | 0 | 0 | 112.6 | T131 K137 | T131-E133 PolarHBondContact O-N 3.37Å; E133-K137 VanDerWaalsContact O-CB 3.3Å; E133-K137 WeakPolarHBondContact O-CB 3.22Å; E133-K137 PolarHBondContact O-N 3.37Å; E133-K137 VanDerWaalsContact O-N 3.08Å |
| 134 | Y | 95.6 | Very high | 94 | Very high | 56 Ų | 56 | 80.1 Ų | 80.1 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 177.3 | 172.6 | -105.2 | 0 | 0 | 0 | 111.2 | P3 R5 T131 N132 K137 I138 | P3-Y134 PolarHBondContact O-OH 3.17Å; R5-Y134 HydrophobicContact CG-CE1 4.15Å; T131-Y134 WeakPolarHBondContact O-CB 3.42Å; T131-Y134 PolarHBondContact O-N 3.4Å; T131-Y134 WeakPolarHBondContact OG1-CB 3.34Å; T131-Y134 PolarHBondContact OG1-N 3.08Å; N132-Y134 VanDerWaalsContact C-N 3.34Å; N132-Y134 PolarHBondContact O-N 3.07Å; Y134-K137 PolarHBondContact O-N 2.65Å; Y134-I138 HydrophobicContact CD1-CD1 4.09Å; Y134-I138 HydrophobicContact CD2-CD1 4.17Å; Y134-I138 HydrophobicContact CE1-CD1 3.52Å; Y134-I138 HydrophobicContact CE2-CD1 3.6Å; Y134-I138 HydrophobicContact CE2-CG1 4.48Å; Y134-I138 HydrophobicContact CG-CD1 4.39Å; Y134-I138 PolarHBondContact O-N 3.14Å; Y134-I138 WeakPolarHBondContact OH-CD1 3.47Å |
| 135 | L | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 178.3 | -66 | 180 | 0 | 0 | 0 | 111.3 | Y2 L4 I16 N130 T131 N132 K137 I138 K139 | Y2-L135 HydrophobicContact CE1-CD2 3.9Å; Y2-L135 PolarHBondContact OH-O 2.99Å; L4-L135 HydrophobicContact CD2-CD2 3.68Å; I16-L135 HydrophobicContact CD1-CD2 4.23Å; I16-L135 HydrophobicContact CG2-CB 4.05Å; I16-L135 HydrophobicContact CG2-CD1 4.12Å; I16-L135 HydrophobicContact CG2-CD2 4.37Å; I16-L135 HydrophobicContact CG2-CG 4.41Å; N130-L135 HydrophobicContact CB-CD1 4.16Å; N130-L135 HydrophobicContact CB-CD2 3.97Å; N130-L135 HydrophobicContact CB-CG 4.09Å; T131-L135 PolarHBondContact O-N 2.82Å; N132-L135 PolarHBondContact O-N 3.15Å; L135-K137 VanDerWaalsContact C-N 3.3Å; L135-K137 PolarHBondContact O-N 3.28Å; L135-I138 PolarHBondContact O-N 3.11Å; L135-I138 VanDerWaalsContact O-N 3.16Å; L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 3.01Å |
| 136 | E | 95 | Very high | 94.2 | Very high | 78 Ų | 78 | 75.6 Ų | 75.6 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 178.6 | -75.4 | -60.1 | 142.4 | 0 | 0 | 112.4 | N132 I138 K139 Q140 | N132-E136 WeakPolarHBondContact O-CB 3.37Å; N132-E136 VanDerWaalsContact O-CG 3.31Å; N132-E136 WeakPolarHBondContact O-CG 3.33Å; N132-E136 PolarHBondContact O-N 3.27Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 3.25Å; E136-K139 PolarHBondContact O-N 3.32Å; E136-K139 WeakPolarHBondContact OE1-CE 3.49Å; E136-K139 IonicContact OE1-NZ 2.62Å; E136-K139 PolarHBondContact OE1-NZ 2.86Å; E136-K139 WeakPolarHBondContact OE2-CE 3.26Å; E136-K139 IonicContact OE2-NZ 2.89Å; E136-K139 PolarHBondContact OE2-NZ 2.9Å; E136-Q140 WeakPolarHBondContact O-CB 3.11Å; E136-Q140 VanDerWaalsContact O-CG 3.3Å; E136-Q140 WeakPolarHBondContact O-CG 3.25Å; E136-Q140 PolarHBondContact O-N 2.8Å |
| 137 | K | 96.1 | Very high | 94.1 | Very high | 122 Ų | 122 | 80.2 Ų | 80.2 | 53% | 0.53 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.9 | -173.6 | 175.6 | -176.5 | 174.6 | 0 | 112.5 | E133 Y134 L135 R141 | E133-K137 VanDerWaalsContact O-CB 3.3Å; E133-K137 WeakPolarHBondContact O-CB 3.22Å; E133-K137 PolarHBondContact O-N 3.37Å; E133-K137 VanDerWaalsContact O-N 3.08Å; Y134-K137 PolarHBondContact O-N 2.65Å; L135-K137 VanDerWaalsContact C-N 3.3Å; L135-K137 PolarHBondContact O-N 3.28Å; K137-R141 WeakPolarHBondContact O-CG 3.48Å; K137-R141 PolarHBondContact O-N 2.89Å |
| 138 | I | 96 | Very high | 93.8 | Very high | 16 Ų | 16 | 82.5 Ų | 82.5 | 8% | 0.082 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71.8 | -45.5 | 176.3 | -68.4 | 168.2 | 0 | 0 | 0 | 110.3 | Y2 P3 Y134 L135 E136 Q140 R141 L142 | Y2-I138 HydrophobicContact CD1-CG2 3.8Å; Y2-I138 HydrophobicContact CD2-CG2 4.17Å; Y2-I138 HydrophobicContact CE1-CB 4.05Å; Y2-I138 HydrophobicContact CE1-CD1 4.39Å; Y2-I138 HydrophobicContact CE1-CG2 3.65Å; Y2-I138 HydrophobicContact CE2-CG2 4.04Å; Y2-I138 HydrophobicContact CG-CG2 4.05Å; P3-I138 HydrophobicContact CG-CD1 3.97Å; P3-I138 WeakPolarHBondContact O-CD1 3.21Å; Y134-I138 HydrophobicContact CD1-CD1 4.09Å; Y134-I138 HydrophobicContact CD2-CD1 4.17Å; Y134-I138 HydrophobicContact CE1-CD1 3.52Å; Y134-I138 HydrophobicContact CE2-CD1 3.6Å; Y134-I138 HydrophobicContact CE2-CG1 4.48Å; Y134-I138 HydrophobicContact CG-CD1 4.39Å; Y134-I138 PolarHBondContact O-N 3.14Å; Y134-I138 WeakPolarHBondContact OH-CD1 3.47Å; L135-I138 PolarHBondContact O-N 3.11Å; L135-I138 VanDerWaalsContact O-N 3.16Å; E136-I138 VanDerWaalsContact C-N 3.33Å; E136-I138 PolarHBondContact O-N 3.25Å; I138-Q140 VanDerWaalsContact C-N 3.32Å; I138-Q140 PolarHBondContact O-N 3.18Å; I138-R141 PolarHBondContact O-N 2.7Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.35Å; I138-L142 WeakPolarHBondContact O-CG 3.27Å; I138-L142 PolarHBondContact O-N 3.49Å |
| 139 | K | 94.8 | Very high | 93.1 | Very high | 38 Ų | 38 | 84.2 Ų | 84.2 | 17% | 0.165 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.2 | -47.2 | 177.4 | -170 | -178.4 | 71.8 | -174.5 | 0 | 111.3 | Y2 V20 L135 E136 R141 L142 F143 | Y2-K139 HydrophobicContact CE2-CB 4.43Å; V20-K139 HydrophobicContact CG2-CG 4.23Å; L135-K139 WeakPolarHBondContact O-CB 3.49Å; L135-K139 PolarHBondContact O-N 3.01Å; E136-K139 PolarHBondContact O-N 3.32Å; E136-K139 WeakPolarHBondContact OE1-CE 3.49Å; E136-K139 IonicContact OE1-NZ 2.62Å; E136-K139 PolarHBondContact OE1-NZ 2.86Å; E136-K139 WeakPolarHBondContact OE2-CE 3.26Å; E136-K139 IonicContact OE2-NZ 2.89Å; E136-K139 PolarHBondContact OE2-NZ 2.9Å; K139-R141 PolarHBondContact O-N 3.47Å; K139-L142 PolarHBondContact O-N 3.14Å; K139-F143 HydrophobicContact CD-CE2 4.34Å; K139-F143 HydrophobicContact CG-CD2 3.91Å; K139-F143 HydrophobicContact CG-CE2 3.74Å; K139-F143 WeakPolarHBondContact O-CD2 3.33Å; K139-F143 PolarHBondContact O-N 3.39Å |
| 140 | Q | 95.2 | Very high | 91.9 | Very high | 114 Ų | 114 | 83.9 Ų | 83.9 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 177.8 | -74.2 | 175.7 | 9.7 | 0 | 0 | 112.4 | E136 I138 L142 F143 E144 | E136-Q140 WeakPolarHBondContact O-CB 3.11Å; E136-Q140 VanDerWaalsContact O-CG 3.3Å; E136-Q140 WeakPolarHBondContact O-CG 3.25Å; E136-Q140 PolarHBondContact O-N 2.8Å; I138-Q140 VanDerWaalsContact C-N 3.32Å; I138-Q140 PolarHBondContact O-N 3.18Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 3.19Å; Q140-F143 PolarHBondContact O-N 3.06Å; Q140-E144 WeakPolarHBondContact O-CG 3.06Å; Q140-E144 PolarHBondContact O-N 3.5Å |
| 141 | R | 94.9 | Very high | 90.2 | Very high | 145 Ų | 145 | 89.9 Ų | 89.9 | 55% | 0.547 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 176.2 | -71 | 172.5 | 176.1 | -169.8 | -5.3 | 112.3 | K137 I138 K139 E144 N145 | K137-R141 WeakPolarHBondContact O-CG 3.48Å; K137-R141 PolarHBondContact O-N 2.89Å; I138-R141 PolarHBondContact O-N 2.7Å; K139-R141 PolarHBondContact O-N 3.47Å; R141-E144 PolarHBondContact O-N 2.99Å; R141-N145 VanDerWaalsContact O-CG 3.25Å; R141-N145 PolarHBondContact O-N 3.45Å; R141-N145 PolarHBondContact O-ND2 3.3Å |
| 142 | L | 94.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 90.1 Ų | 90.1 | 16% | 0.157 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 176.3 | -71.9 | 174.9 | 0 | 0 | 0 | 111.9 | N1 Y2 I138 K139 Q140 E144 N145 L146 | N1-L142 WeakPolarHBondContact O-CD2 3.43Å; Y2-L142 HydrophobicContact CD2-CD1 3.27Å; Y2-L142 HydrophobicContact CE2-CD1 3.82Å; Y2-L142 HydrophobicContact CG-CD1 3.93Å; I138-L142 HydrophobicContact CG2-CD1 3.96Å; I138-L142 HydrophobicContact CG2-CG 4.35Å; I138-L142 WeakPolarHBondContact O-CG 3.27Å; I138-L142 PolarHBondContact O-N 3.49Å; K139-L142 PolarHBondContact O-N 3.14Å; Q140-L142 VanDerWaalsContact C-N 3.31Å; Q140-L142 PolarHBondContact O-N 3.19Å; L142-E144 VanDerWaalsContact C-N 3.34Å; L142-N145 PolarHBondContact O-N 3.33Å; L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 3.38Å |
| 143 | F | 94 | Very high | 86.2 | Confident | 51 Ų | 51 | 89.7 Ų | 89.7 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.5 | -89.4 | -116.3 | 0 | 0 | 0 | 112.3 | P19 V20 K23 K139 Q140 L146 R147 | P19-F143 HydrophobicContact CB-CZ 4.12Å; P19-F143 WeakPolarHBondContact O-CZ 3.34Å; V20-F143 HydrophobicContact CG2-CE2 4.1Å; K23-F143 HydrophobicContact CB-CE1 3.96Å; K23-F143 HydrophobicContact CB-CE2 4.46Å; K23-F143 HydrophobicContact CB-CZ 3.93Å; K23-F143 HydrophobicContact CD-CE1 4.35Å; K23-F143 HydrophobicContact CG-CD1 4.1Å; K23-F143 HydrophobicContact CG-CE1 3.95Å; K23-F143 HydrophobicContact CG-CZ 4.38Å; K139-F143 HydrophobicContact CD-CE2 4.34Å; K139-F143 HydrophobicContact CG-CD2 3.91Å; K139-F143 HydrophobicContact CG-CE2 3.74Å; K139-F143 WeakPolarHBondContact O-CD2 3.33Å; K139-F143 PolarHBondContact O-N 3.39Å; Q140-F143 PolarHBondContact O-N 3.06Å; F143-L146 PolarHBondContact O-N 3.31Å; F143-R147 VanDerWaalsContact O-CG 3.26Å; F143-R147 WeakPolarHBondContact O-CG 3.14Å; F143-R147 PolarHBondContact O-N 3.26Å |
| 144 | E | 93.2 | Very high | 84.1 | Confident | 114 Ų | 114 | 84.4 Ų | 84.4 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 172.4 | -72.8 | 173.1 | 178.6 | 0 | 0 | 111.3 | Q140 R141 L142 L146 R147 M148 | Q140-E144 WeakPolarHBondContact O-CG 3.06Å; Q140-E144 PolarHBondContact O-N 3.5Å; R141-E144 PolarHBondContact O-N 2.99Å; L142-E144 VanDerWaalsContact C-N 3.34Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.93Å; E144-R147 WeakPolarHBondContact O-CB 3.07Å; E144-R147 PolarHBondContact O-N 2.81Å; E144-M148 WeakPolarHBondContact O-CG 3.44Å; E144-M148 PolarHBondContact O-N 2.86Å |
| 145 | N | 92.3 | Very high | 82.1 | Confident | 107 Ų | 107 | 88.3 Ų | 88.3 | 57% | 0.572 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176 | -68.1 | -14.7 | 0 | 0 | 0 | 112 | R141 L142 R147 M148 | R141-N145 VanDerWaalsContact O-CG 3.25Å; R141-N145 PolarHBondContact O-N 3.45Å; R141-N145 PolarHBondContact O-ND2 3.3Å; L142-N145 PolarHBondContact O-N 3.33Å; N145-R147 VanDerWaalsContact C-N 3.29Å; N145-R147 PolarHBondContact O-N 3.28Å; N145-M148 PolarHBondContact O-N 2.87Å |
| 146 | L | 89.9 | Confident | 80.1 | Confident | 26 Ų | 26 | 96.3 Ų | 96.3 | 14% | 0.136 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -64.8 | -32.9 | 178.5 | -72.4 | 171.4 | 0 | 0 | 0 | 112.1 | K23 V24 M27 L142 F143 E144 M148 L149 | K23-L146 HydrophobicContact CB-CD1 3.99Å; K23-L146 HydrophobicContact CG-CB 4.3Å; K23-L146 HydrophobicContact CG-CD1 3.88Å; V24-L146 HydrophobicContact CG2-CD1 4Å; V24-L146 HydrophobicContact CG2-CD2 3.95Å; M27-L146 VanDerWaalsContact CE-O 3.3Å; M27-L146 WeakPolarHBondContact CE-O 3.36Å; M27-L146 HydrophobicContact CG-CB 4.44Å; L142-L146 WeakPolarHBondContact O-CB 3.44Å; L142-L146 VanDerWaalsContact O-CG 3.28Å; L142-L146 WeakPolarHBondContact O-CG 3.25Å; L142-L146 PolarHBondContact O-N 3.38Å; F143-L146 PolarHBondContact O-N 3.31Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 2.93Å; L146-M148 VanDerWaalsContact C-N 3.26Å; L146-M148 PolarHBondContact O-N 3.08Å; L146-L149 HydrophobicContact CD2-CD1 3.8Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 2.83Å |
| 147 | R | 87.8 | Confident | 78.3 | Confident | 165 Ų | 165 | 98.8 Ų | 98.8 | 62% | 0.623 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.5 | -25.2 | 175.6 | -75.4 | 170.1 | -178.4 | 179.5 | 1.5 | 113.6 | F143 E144 N145 L149 | F143-R147 VanDerWaalsContact O-CG 3.26Å; F143-R147 WeakPolarHBondContact O-CG 3.14Å; F143-R147 PolarHBondContact O-N 3.26Å; E144-R147 WeakPolarHBondContact O-CB 3.07Å; E144-R147 PolarHBondContact O-N 2.81Å; N145-R147 VanDerWaalsContact C-N 3.29Å; N145-R147 PolarHBondContact O-N 3.28Å; R147-L149 VanDerWaalsContact C-N 3.27Å |
| 148 | M | 86.3 | Confident | 76.7 | Confident | 161 Ų | 161 | 101.5 Ų | 101.5 | 79% | 0.793 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.4 | 179.7 | -64.1 | -61.6 | -68 | 0 | 0 | 112.9 | E144 N145 L146 | E144-M148 WeakPolarHBondContact O-CG 3.44Å; E144-M148 PolarHBondContact O-N 2.86Å; N145-M148 PolarHBondContact O-N 2.87Å; L146-M148 VanDerWaalsContact C-N 3.26Å; L146-M148 PolarHBondContact O-N 3.08Å |
| 149 | L | 79.9 | Confident | 75.2 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 38% | 0.377 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -66.8 | 131.9 | 173.2 | -72.4 | 153.1 | 0 | 0 | 0 | 109.1 | L146 R147 H151 | L146-L149 HydrophobicContact CD2-CD1 3.8Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 2.83Å; R147-L149 VanDerWaalsContact C-N 3.27Å; L149-H151 PolarHBondContact O-N 2.82Å; L149-H151 VanDerWaalsContact O-N 3.16Å |
| 150 | P | 68.8 | Low | 73.6 | Confident | 90 Ų | 90 | 110.3 Ų | 110.3 | 58% | 0.584 | 58% | 0.578 | S | S | * | * | trans | -60.7 | 123.6 | 170.3 | 26.8 | -31.5 | 0 | 0 | 0 | 107.1 | T152 | P150-T152 HydrophobicContact CB-CG2 4.35Å; P150-T152 HydrophobicContact CG-CG2 4.38Å; P150-T152 PolarHBondContact O-N 3Å; P150-T152 PolarHBondContact O-OG1 3.44Å | ||
| 151 | H | 59.5 | Low | 72.2 | Confident | 133 Ų | 133 | 109.9 Ų | 109.9 | 62% | 0.616 | 59% | 0.585 | S | S | * | * | trans | -60.3 | 95.4 | 170.3 | -65.6 | 72.8 | 0 | 0 | 0 | 105.9 | M27 L149 | M27-H151 WeakPolarHBondContact CE-CE1 3.22Å; M27-H151 VanDerWaalsContact CE-NE2 3.29Å; M27-H151 WeakPolarHBondContact CE-NE2 3.41Å; M27-H151 PolarHBondContact SD-NE2 2.82Å; M27-H151 VanDerWaalsContact SD-NE2 3.42Å; L149-H151 PolarHBondContact O-N 2.82Å; L149-H151 VanDerWaalsContact O-N 3.16Å | ||
| 152 | T | 55.4 | Low | 70.9 | Confident | 85 Ų | 85 | 111.9 Ų | 111.9 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | trans | -104 | 121.5 | -171.5 | 12.1 | 0 | 0 | 0 | 0 | 107.7 | P150 | P150-T152 HydrophobicContact CB-CG2 4.35Å; P150-T152 HydrophobicContact CG-CG2 4.38Å; P150-T152 PolarHBondContact O-N 3Å; P150-T152 PolarHBondContact O-OG1 3.44Å | ||
| 153 | P | 51.3 | Low | 69 | Low | 111 Ų | 111 | 116.4 Ų | 116.4 | 72% | 0.721 | 63% | 0.625 | S | S | * | * | trans | -66.5 | 138.3 | 177.2 | 30.5 | -31.8 | 0 | 0 | 0 | 107.9 | ||||
| 154 | G | 51 | Low | 66.9 | Low | 54 Ų | 54 | 118.8 Ų | 118.8 | 56% | 0.557 | 65% | 0.654 | S | S | * | * | trans | -39.1 | 133.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116 | Q156 | G154-Q156 PolarHBondContact O-N 2.89Š| ||
| 155 | V | 52.7 | Low | 64.9 | Low | 138 Ų | 138 | 118.6 Ų | 118.6 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | trans | -57.7 | 108.7 | 155 | 175.8 | 0 | 0 | 0 | 0 | 105.9 | M157 | V155-M157 PolarHBondContact O-N 2.97Å; V155-M157 VanDerWaalsContact O-N 3.15Å | ||
| 156 | Q | 54 | Low | 63.1 | Low | 172 Ų | 172 | 118.1 Ų | 118.1 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | -59.4 | 120.7 | 179.5 | -171.2 | 172.4 | 4 | 0 | 0 | 107.9 | G154 Q158 | G154-Q156 PolarHBondContact O-N 2.89Å; Q156-Q158 PolarHBondContact O-N 3.44Å | ||
| 157 | M | 57.3 | Low | 61.1 | Low | 131 Ų | 131 | 125.5 Ų | 125.5 | 65% | 0.645 | 69% | 0.692 | S | S | * | * | trans | -56.6 | 108.5 | 172.5 | -70 | -71.3 | -78.3 | 0 | 0 | 107.5 | S31 V155 | S31-M157 WeakPolarHBondContact OG-CG 3.37Å; S31-M157 PolarHBondContact OG-SD 3.42Å; V155-M157 PolarHBondContact O-N 2.97Å; V155-M157 VanDerWaalsContact O-N 3.15Å | ||
| 158 | Q | 62.9 | Low | 59.3 | Low | 178 Ų | 178 | 124.2 Ų | 124.2 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 124.8 | 167.2 | -72.3 | -176.9 | -22 | 0 | 0 | 106.2 | Q156 I160 | Q156-Q158 PolarHBondContact O-N 3.44Å; Q158-I160 PolarHBondContact O-N 3.19Å; Q158-I160 VanDerWaalsContact O-N 3.13Å |
| 159 | A | 62.6 | Low | 57.4 | Low | 93 Ų | 93 | 122 Ų | 122 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 122.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | P161 | A159-P161 WeakPolarHBondContact O-CD 3.27Å; A159-P161 VanDerWaalsContact O-N 3.17Å |
| 160 | I | 61.7 | Low | 55.7 | Low | 146 Ų | 146 | 120.7 Ų | 120.7 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 123.2 | 169.3 | -52 | 173.3 | 0 | 0 | 0 | 104.3 | Q158 E162 | Q158-I160 PolarHBondContact O-N 3.19Å; Q158-I160 VanDerWaalsContact O-N 3.13Å; I160-E162 PolarHBondContact O-N 3.39Å |
| 161 | P | 67.1 | Low | 54.7 | Low | 106 Ų | 106 | 122.6 Ų | 122.6 | 69% | 0.688 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 139.8 | 170.4 | -22.2 | 31.9 | 0 | 0 | 0 | 107.9 | A159 D163 | A159-P161 WeakPolarHBondContact O-CD 3.27Å; A159-P161 VanDerWaalsContact O-N 3.17Å; P161-D163 PolarHBondContact O-N 3.44Å; P161-D163 VanDerWaalsContact O-N 3.11Å |
| 162 | E | 66.1 | Low | 54.3 | Low | 187 Ų | 187 | 124.7 Ų | 124.7 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -45.4 | 128 | 169.2 | -76.6 | 178.9 | 158.8 | 0 | 0 | 107.5 | I160 A164 | I160-E162 PolarHBondContact O-N 3.39Å; E162-A164 PolarHBondContact O-N 3.13Å | ||
| 163 | D | 55.6 | Low | 54.1 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | -46.9 | 117.5 | -178.2 | -81.6 | -37.3 | 0 | 0 | 0 | 107.2 | P161 I165 | P161-D163 PolarHBondContact O-N 3.44Å; P161-D163 VanDerWaalsContact O-N 3.11Å; D163-I165 HydrophobicContact CB-CD1 4.11Å; D163-I165 HydrophobicContact CB-CG1 3.66Å; D163-I165 PolarHBondContact O-N 2.98Å | ||
| 164 | A | 50.8 | Low | 54.3 | Low | 102 Ų | 102 | 131.7 Ų | 131.7 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | trans | -75.1 | 43 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E162 P166 | E162-A164 PolarHBondContact O-N 3.13Å; A164-P166 WeakPolarHBondContact O-CD 3.3Å | ||
| 165 | I | 50.7 | Low | 54.7 | Low | 110 Ų | 110 | 135.4 Ų | 135.4 | 56% | 0.564 | 74% | 0.738 | S | S | * | * | trans | -73.8 | 110.4 | 154 | -10.3 | 178.9 | 0 | 0 | 0 | 102.9 | D163 E167 | D163-I165 HydrophobicContact CB-CD1 4.11Å; D163-I165 HydrophobicContact CB-CG1 3.66Å; D163-I165 PolarHBondContact O-N 2.98Å; I165-E167 PolarHBondContact O-N 3.1Å; I165-E167 VanDerWaalsContact O-N 3.09Å | ||
| 166 | P | 53 | Low | 55.1 | Low | 97 Ų | 97 | 132.4 Ų | 132.4 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | trans | -51.9 | 126.5 | 158.1 | -12.6 | 28.2 | 0 | 0 | 0 | 104.8 | A164 E168 | A164-P166 WeakPolarHBondContact O-CD 3.3Å; P166-E168 PolarHBondContact O-N 3.43Å | ||
| 167 | E | 48.3 | Very low | 55.5 | Low | 181 Ų | 181 | 130.1 Ų | 130.1 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -57 | 87 | 154 | -73.2 | -100.2 | 157.3 | 0 | 0 | 104.6 | I165 S169 | I165-E167 PolarHBondContact O-N 3.1Å; I165-E167 VanDerWaalsContact O-N 3.09Å; E167-S169 PolarHBondContact O-N 3.1Å; E167-S169 PolarHBondContact O-OG 2.86Å | ||
| 168 | E | 50.3 | Low | 55.9 | Low | 138 Ų | 138 | 131.1 Ų | 131.1 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | trans | -70.3 | 76.9 | 170.8 | -159.6 | 161.4 | -141.8 | 0 | 0 | 104.4 | P166 G170 | P166-E168 PolarHBondContact O-N 3.43Å; E168-G170 PolarHBondContact O-N 3.33Å | ||
| 169 | S | 46.8 | Very low | 56.2 | Low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | -72.6 | 38.3 | 164.4 | 45.5 | 0 | 0 | 0 | 0 | 109.4 | E167 | E167-S169 PolarHBondContact O-N 3.1Å; E167-S169 PolarHBondContact O-OG 2.86Å | ||
| 170 | G | 45 | Very low | 55.9 | Low | 46 Ų | 46 | 131 Ų | 131 | 47% | 0.474 | 72% | 0.718 | S | S | . | * | trans | -96.1 | 112.4 | 167 | 0 | 0 | 0 | 0 | 0 | 106.6 | E168 E172 | E168-G170 PolarHBondContact O-N 3.33Å; G170-E172 PolarHBondContact O-N 3.04Å | ||
| 171 | D | 46.7 | Very low | 56.1 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | -50.4 | 112.3 | 165.6 | -68.9 | -51.6 | 0 | 0 | 0 | 108 | D173 E174 | D171-D173 PolarHBondContact O-N 2.99Å; D171-E174 PolarHBondContact O-N 3.16Å; D171-E174 VanDerWaalsContact O-N 3.13Å | ||
| 172 | E | 51.3 | Low | 56 | Low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -58 | -15.6 | 179 | -64.9 | -177.4 | 168.1 | 0 | 0 | 112 | G170 E174 | G170-E172 PolarHBondContact O-N 3.04Å; E172-E174 VanDerWaalsContact C-N 3.32Å; E172-E174 PolarHBondContact O-N 3Å |
| 173 | D | 52.1 | Low | 55.8 | Low | 162 Ų | 162 | 124.9 Ų | 124.9 | 87% | 0.866 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -75.6 | -7.3 | 178.3 | -70.8 | -33.6 | 0 | 0 | 0 | 114.8 | D171 | D171-D173 PolarHBondContact O-N 2.99Š|
| 174 | E | 54.9 | Low | 56 | Low | 181 Ų | 181 | 123.1 Ų | 123.1 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -101.8 | 2 | 176 | -72.4 | -142.1 | 162.8 | 0 | 0 | 114.8 | D171 E172 | D171-E174 PolarHBondContact O-N 3.16Å; D171-E174 VanDerWaalsContact O-N 3.13Å; E172-E174 VanDerWaalsContact C-N 3.32Å; E172-E174 PolarHBondContact O-N 3Å |
| 175 | E | 58.7 | Low | 56.5 | Low | 132 Ų | 132 | 120.3 Ų | 120.3 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -79.2 | 129.2 | 178.4 | -63.9 | -151.9 | 151.4 | 0 | 0 | 112.9 | ||
| 176 | D | 62 | Low | 57 | Low | 75 Ų | 75 | 117.7 Ų | 117.7 | 40% | 0.401 | 65% | 0.651 | S | S | . | * | trans | -64.9 | 118.9 | 179.6 | -177.9 | -6.3 | 0 | 0 | 0 | 110.4 | D178 K179 | D176-D178 PolarHBondContact O-N 3.06Å; D176-D178 PolarHBondContact OD1-N 2.99Å; D176-K179 HydrophobicContact CB-CD 3.9Å; D176-K179 HydrophobicContact CB-CG 4.03Å; D176-K179 PolarHBondContact O-N 2.92Å | ||
| 177 | P | 61.2 | Low | 57.6 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13.2 | -172.8 | 25 | -34.9 | 0 | 0 | 0 | 114.3 | ||
| 178 | D | 65.6 | Low | 58.2 | Low | 153 Ų | 153 | 115.8 Ų | 115.8 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 1.2 | 176.8 | -74.3 | -33.9 | 0 | 0 | 0 | 113.5 | D176 | D176-D178 PolarHBondContact O-N 3.06Å; D176-D178 PolarHBondContact OD1-N 2.99Å |
| 179 | K | 69.1 | Low | 58.6 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 62% | 0.617 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -92.6 | 133.5 | 176.1 | -68.8 | 179.9 | -169.8 | 162.4 | 0 | 111.3 | D176 I181 | D176-K179 HydrophobicContact CB-CD 3.9Å; D176-K179 HydrophobicContact CB-CG 4.03Å; D176-K179 PolarHBondContact O-N 2.92Å; K179-I181 PolarHBondContact O-N 3.27Å |
| 180 | P | 57.1 | Low | 59.2 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 83% | 0.825 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.9 | 175.7 | 27.3 | -32.1 | 0 | 0 | 0 | 110 | ||
| 181 | I | 65.6 | Low | 59.8 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143 | 168.2 | 33.3 | 168.2 | 0 | 0 | 0 | 111 | K179 | K179-I181 PolarHBondContact O-N 3.27Š|
| 182 | S | 65 | Low | 60.3 | Low | 62 Ų | 62 | 114.2 Ų | 114.2 | 43% | 0.434 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 146.2 | 177.3 | 95.5 | 0 | 0 | 0 | 0 | 110.3 | C184 S185 S186 | S182-C184 PolarHBondContact O-N 3.09Å; S182-C184 PolarHBondContact OG-N 3.18Å; S182-S185 WeakPolarHBondContact O-CB 3.32Å; S182-S185 PolarHBondContact O-N 2.55Å; S182-S185 PolarHBondContact OG-N 2.79Å; S182-S185 VanDerWaalsContact OG-N 3.14Å; S182-S185 PolarHBondContact OG-OG 2.78Å; S182-S186 PolarHBondContact O-N 3.22Å |
| 183 | I | 62.3 | Low | 60.8 | Low | 134 Ų | 134 | 115.4 Ų | 115.4 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.7 | -37.5 | 177.1 | -65.9 | 167.9 | 0 | 0 | 0 | 110.7 | S185 S186 D187 | I183-S185 VanDerWaalsContact C-N 3.33Å; I183-S185 PolarHBondContact O-N 2.71Å; I183-S186 PolarHBondContact O-N 3.26Å; I183-D187 PolarHBondContact O-N 2.9Å |
| 184 | C | 59.7 | Low | 61.5 | Low | 87 Ų | 87 | 116.2 Ų | 116.2 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.8 | -34.8 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | S182 | S182-C184 PolarHBondContact O-N 3.09Å; S182-C184 PolarHBondContact OG-N 3.18Å |
| 185 | S | 60.7 | Low | 61.8 | Low | 44 Ų | 44 | 115.1 Ų | 115.1 | 31% | 0.308 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.8 | -38.7 | 175 | -45.1 | 0 | 0 | 0 | 0 | 110.7 | S182 I183 K188 | S182-S185 WeakPolarHBondContact O-CB 3.32Å; S182-S185 PolarHBondContact O-N 2.55Å; S182-S185 PolarHBondContact OG-N 2.79Å; S182-S185 VanDerWaalsContact OG-N 3.14Å; S182-S185 PolarHBondContact OG-OG 2.78Å; I183-S185 VanDerWaalsContact C-N 3.33Å; I183-S185 PolarHBondContact O-N 2.71Å; S185-K188 PolarHBondContact O-N 2.88Å |
| 186 | S | 61.4 | Low | 61.3 | Low | 54 Ų | 54 | 117.9 Ų | 117.9 | 38% | 0.378 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.1 | -39.8 | 176.5 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | S182 I183 K188 C189 I190 | S182-S186 PolarHBondContact O-N 3.22Å; I183-S186 PolarHBondContact O-N 3.26Å; S186-K188 PolarHBondContact O-N 3.01Å; S186-C189 PolarHBondContact O-N 3.38Å; S186-I190 WeakPolarHBondContact O-CG1 3.22Å |
| 187 | D | 66.1 | Low | 61 | Low | 101 Ų | 101 | 119.7 Ų | 119.7 | 54% | 0.54 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -67.2 | -25.7 | -179.9 | -77.1 | -20.9 | 0 | 0 | 0 | 112.5 | I183 C189 | I183-D187 PolarHBondContact O-N 2.9Å; D187-C189 VanDerWaalsContact C-N 3.31Å |
| 188 | K | 61.3 | Low | 60.4 | Low | 138 Ų | 138 | 121.1 Ų | 121.1 | 60% | 0.6 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69.9 | -26 | 174 | -77.9 | 180 | 177.9 | 179.5 | 0 | 113.4 | S185 S186 | S185-K188 PolarHBondContact O-N 2.88Å; S186-K188 PolarHBondContact O-N 3.01Å |
| 189 | C | 58.7 | Low | 59.7 | Low | 109 Ų | 109 | 119.2 Ų | 119.2 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 2.6 | -177.2 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | S186 D187 A191 | S186-C189 PolarHBondContact O-N 3.38Å; D187-C189 VanDerWaalsContact C-N 3.31Å; C189-A191 PolarHBondContact O-N 2.81Å; C189-A191 VanDerWaalsContact O-N 3.13Å |
| 190 | I | 59.5 | Low | 58.8 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 59% | 0.585 | 67% | 0.67 | S | S | * | * | trans | -79.3 | 98.9 | 177.5 | -58.9 | 176.3 | 0 | 0 | 0 | 108.1 | S186 | S186-I190 WeakPolarHBondContact O-CG1 3.22Š| ||
| 191 | A | 57.4 | Low | 58.4 | Low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 67% | 0.673 | S | S | * | * | trans | -65.5 | 134.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | C189 E193 | C189-A191 PolarHBondContact O-N 2.81Å; C189-A191 VanDerWaalsContact O-N 3.13Å; A191-E193 PolarHBondContact O-N 3.42Å | ||
| 192 | C | 56.4 | Low | 57.5 | Low | 86 Ų | 86 | 126.5 Ų | 126.5 | 58% | 0.581 | 69% | 0.687 | S | S | * | * | trans | -74 | 117.7 | 175.8 | -155.6 | 0 | 0 | 0 | 0 | 108.6 | E194 E195 | C192-E194 PolarHBondContact O-N 2.84Å; C192-E195 HydrophobicContact CB-CB 4.41Å; C192-E195 PolarHBondContact O-N 3.27Å | ||
| 193 | E | 61.8 | Low | 56.1 | Low | 202 Ų | 202 | 126.8 Ų | 126.8 | 94% | 0.944 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -12.8 | -175 | -64.9 | -171.5 | 160.3 | 0 | 0 | 114.1 | A191 | A191-E193 PolarHBondContact O-N 3.42Š|
| 194 | E | 66.4 | Low | 55.3 | Low | 179 Ų | 179 | 130.4 Ų | 130.4 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 0.2 | 178.4 | -62.2 | -164.5 | 169 | 0 | 0 | 114.4 | C192 | C192-E194 PolarHBondContact O-N 2.84Š|
| 195 | E | 62.3 | Low | 54.2 | Low | 157 Ų | 157 | 129.3 Ų | 129.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 116.7 | 179.4 | -152.7 | 168.2 | -149.5 | 0 | 0 | 110.3 | C192 | C192-E195 HydrophobicContact CB-CB 4.41Å; C192-E195 PolarHBondContact O-N 3.27Å |
| 196 | F | 48.4 | Very low | 53.4 | Low | 190 Ų | 190 | 131.1 Ų | 131.1 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 131.6 | 174.6 | -70.1 | -90 | 0 | 0 | 0 | 109 | D198 | F196-D198 PolarHBondContact O-N 3.09Š|
| 197 | P | 54.6 | Low | 52.2 | Low | 113 Ų | 113 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.7 | 178.3 | 24.7 | -32.1 | 0 | 0 | 0 | 110.6 | S199 | P197-S199 PolarHBondContact O-N 3.42Š|
| 198 | D | 49.9 | Very low | 51 | Low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.9 | 171 | -109.5 | -26.1 | 0 | 0 | 0 | 109.2 | F196 D200 | F196-D198 PolarHBondContact O-N 3.09Å; D198-D200 PolarHBondContact O-N 2.63Å |
| 199 | S | 50.3 | Low | 49.8 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -73.4 | 31.8 | -164.5 | -69.3 | 0 | 0 | 0 | 0 | 115.7 | P197 | P197-S199 PolarHBondContact O-N 3.42Š|
| 200 | D | 49.4 | Very low | 48.9 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -92.2 | 9.2 | -175.3 | -75.3 | -25.4 | 0 | 0 | 0 | 114.5 | D198 E202 | D198-D200 PolarHBondContact O-N 2.63Å; D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 2.6Å; D200-E202 VanDerWaalsContact O-N 3.14Å | ||
| 201 | E | 50.2 | Low | 47.8 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 62.5 | 173.2 | -154.1 | 177 | -178.2 | 0 | 0 | 111.9 | ||||
| 202 | E | 46.3 | Very low | 46.8 | Very low | 187 Ų | 187 | 147.5 Ų | 147.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -117.6 | 100.1 | 164.8 | -82 | -90 | 171.2 | 0 | 0 | 109.3 | D200 | D200-E202 VanDerWaalsContact C-N 3.29Å; D200-E202 PolarHBondContact O-N 2.6Å; D200-E202 VanDerWaalsContact O-N 3.14Å | ||
| 203 | G | 35.9 | Very low | 45.8 | Very low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | 112.1 | 111 | 147.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | G205 | G203-G205 PolarHBondContact O-N 2.88Š| ||
| 204 | E | 44.9 | Very low | 44.6 | Very low | 211 Ų | 211 | 152.5 Ų | 152.5 | 99% | 0.986 | 82% | 0.816 | S | S | * | * | trans | -47.1 | 102.3 | 155.7 | -68.5 | 178.7 | 143.5 | 0 | 0 | 110.4 | ||||
| 205 | G | 35.8 | Very low | 43 | Very low | 64 Ų | 64 | 153.6 Ų | 153.6 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | -158.2 | 65.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G203 R207 | G203-G205 PolarHBondContact O-N 2.88Å; G205-R207 PolarHBondContact O-N 3.21Å; G205-R207 VanDerWaalsContact O-N 3.11Å | ||
| 206 | G | 44.1 | Very low | 41.6 | Very low | 82 Ų | 82 | 151 Ų | 151 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -49 | 114.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 207 | R | 37.3 | Very low | 40.8 | Very low | 245 Ų | 245 | 151.8 Ų | 151.8 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -143.4 | 78.8 | 159.6 | -71.2 | -168.6 | 177.2 | 127 | 1.2 | 109.4 | G205 N209 | G205-R207 PolarHBondContact O-N 3.21Å; G205-R207 VanDerWaalsContact O-N 3.11Å; R207-N209 PolarHBondContact O-N 3.15Å | ||
| 208 | E | 39.9 | Very low | 39.6 | Very low | 192 Ų | 192 | 158.1 Ų | 158.1 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | trans | -67.2 | 126.9 | 160.6 | -68 | -176.2 | 156.6 | 0 | 0 | 109.1 | ||||
| 209 | N | 36.3 | Very low | 38.7 | Very low | 151 Ų | 151 | 156.9 Ų | 156.9 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | trans | -135.9 | 84.6 | 158.3 | -161.7 | 22.6 | 0 | 0 | 0 | 109 | R207 S211 | R207-N209 PolarHBondContact O-N 3.15Å; N209-S211 PolarHBondContact O-N 3.12Å | ||
| 210 | S | 40.4 | Very low | 37.7 | Very low | 104 Ų | 104 | 161 Ų | 161 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -85 | 97 | 174.9 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 211 | S | 36.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 160.2 Ų | 160.2 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | -103.7 | 94.4 | 164.3 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | N209 F213 | N209-S211 PolarHBondContact O-N 3.12Å; S211-F213 PolarHBondContact O-N 3.43Å | ||
| 212 | N | 36.4 | Very low | 35.8 | Very low | 145 Ų | 145 | 159.5 Ų | 159.5 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | -67.5 | 112.1 | 177.4 | -94.4 | -26.2 | 0 | 0 | 0 | 111.4 | K214 | N212-K214 PolarHBondContact O-N 3.12Š| ||
| 213 | F | 34.2 | Very low | 34.9 | Very low | 203 Ų | 203 | 157.8 Ų | 157.8 | 89% | 0.89 | 83% | 0.832 | S | S | * | * | trans | -85.3 | 93.8 | 166.2 | -133.2 | -89 | 0 | 0 | 0 | 109.3 | S211 K215 | S211-F213 PolarHBondContact O-N 3.43Å; F213-K215 PolarHBondContact O-N 3.02Å; F213-K215 VanDerWaalsContact O-N 3.15Å | ||
| 214 | K | 36 | Very low | 34.5 | Very low | 191 Ų | 191 | 163.5 Ų | 163.5 | 83% | 0.83 | 84% | 0.841 | S | S | * | * | trans | -68.6 | 106.9 | 172.9 | -73.5 | -177.3 | 176.8 | 179 | 0 | 110 | N212 | N212-K214 PolarHBondContact O-N 3.12Š| ||
| 215 | K | 33 | Very low | 33.7 | Very low | 202 Ų | 202 | 162.4 Ų | 162.4 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.5 | 163.2 | -97.8 | 179.3 | 178.8 | 171.9 | 0 | 109.5 | F213 | F213-K215 PolarHBondContact O-N 3.02Å; F213-K215 VanDerWaalsContact O-N 3.15Å |
| 216 | A | 33.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 168.2 Ų | 168.2 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 217 | K | 31.9 | Very low | 32.5 | Very low | 206 Ų | 206 | 174.4 Ų | 174.4 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 124.6 | 178.8 | -152.1 | 173.1 | -173.1 | 175.5 | 0 | 109.9 | V219 | K217-V219 PolarHBondContact O-N 3.41Š|
| 218 | R | 28.9 | Very low | 32 | Very low | 245 Ų | 245 | 170.2 Ų | 170.2 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -75.5 | 116 | 174.1 | -164.4 | 175.2 | -176 | 176.7 | 0.6 | 108.8 | ||||
| 219 | V | 32.1 | Very low | 32.3 | Very low | 128 Ų | 128 | 166.2 Ų | 166.2 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.7 | 178.4 | 177 | 0 | 0 | 0 | 0 | 109.6 | K217 | K217-V219 PolarHBondContact O-N 3.41Š|
| 220 | K | 28.3 | Very low | 31.8 | Very low | 200 Ų | 200 | 168.3 Ų | 168.3 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 132.3 | 164.1 | -88.2 | -178.9 | 172.9 | 179.3 | 0 | 108.4 | ||
| 221 | T | 28.6 | Very low | 31.2 | Very low | 138 Ų | 138 | 170.9 Ų | 170.9 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -100 | 129.3 | 169.3 | -8.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 222 | E | 30.3 | Very low | 30.7 | Very low | 177 Ų | 177 | 175.8 Ų | 175.8 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 172 | 168.3 | -67.9 | -178.5 | 158.6 | 0 | 0 | 110.5 | ||
| 223 | D | 27.7 | Very low | 30.2 | Very low | 152 Ų | 152 | 176.8 Ų | 176.8 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | trans | 92.2 | 117.1 | -171.6 | -64.5 | -42.1 | 0 | 0 | 0 | 113.9 | ||||
| 224 | E | 28.4 | Very low | 29.8 | Very low | 188 Ų | 188 | 175 Ų | 175 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | cis | -144.9 | 128.8 | 41.3 | -64.7 | -176 | 136.7 | 0 | 0 | 115.1 | ||||
| 225 | K | 28.7 | Very low | 29.4 | Very low | 187 Ų | 187 | 171.2 Ų | 171.2 | 81% | 0.813 | 83% | 0.831 | S | S | * | * | trans | 33.7 | 119.7 | 136.4 | -72.9 | 175.1 | 178 | 170.1 | 0 | 123.5 | ||||
| 226 | E | 29.3 | Very low | 29 | Very low | 187 Ų | 187 | 167.5 Ų | 167.5 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | 16.8 | 127.6 | 128.6 | -67.1 | -177 | 156.1 | 0 | 0 | 120 | |||||
| 227 | K | 24.7 | Very low | 28.6 | Very low | 212 Ų | 212 | 170.6 Ų | 170.6 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | trans | -163 | 127.9 | 130.9 | -106.1 | 172.5 | -172 | -176.9 | 0 | 110.5 | ||||
| 228 | D | 25.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 169.2 Ų | 169.2 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -131.7 | 177.1 | 174.4 | -139.6 | -2.6 | 0 | 0 | 0 | 107.5 | ||||
| 229 | P | 46.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 167 Ų | 167 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | -113 | 166.2 | -91 | 36.2 | -23.3 | 0 | 0 | 0 | 113.4 | |||||
| 230 | E | 26.3 | Very low | 28 | Very low | 195 Ų | 195 | 170 Ų | 170 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -162.1 | 151.7 | 152.6 | -120.4 | 175.2 | -163.5 | 0 | 0 | 115.5 | ||||
| 231 | E | 27.5 | Very low | 27.9 | Very low | 158 Ų | 158 | 166.4 Ų | 166.4 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -65.3 | 162.3 | -163.6 | -58.5 | 174.6 | 119.3 | 0 | 0 | 117.9 | ||||
| 232 | K | 26.9 | Very low | 27.8 | Very low | 210 Ų | 210 | 169 Ų | 169 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | -163.7 | 123.3 | 124.9 | -103 | 165.7 | -167.8 | -175.6 | 0 | 113.4 | |||||
| 233 | K | 25.1 | Very low | 27.6 | Very low | 166 Ų | 166 | 169.1 Ų | 169.1 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -58 | 159.8 | 157.9 | -64 | 170.3 | 174.8 | 171.2 | 0 | 109.8 | ||||
| 234 | E | 26.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 170.7 Ų | 170.7 | 78% | 0.78 | 82% | 0.819 | S | S | * | * | 170.6 | 143.5 | 54.2 | -140.2 | 168.1 | -133.3 | 0 | 0 | 104.4 | |||||
| 235 | V | 26.3 | Very low | 27.4 | Very low | 111 Ų | 111 | 171 Ų | 171 | 67% | 0.673 | 82% | 0.817 | S | S | * | * | 167 | 122.4 | 81.3 | 175.5 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 236 | T | 25.3 | Very low | 28 | Very low | 124 Ų | 124 | 167 Ų | 167 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | 51.6 | 128.9 | 101.2 | -1.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 237 | E | 25.8 | Very low | 27.9 | Very low | 167 Ų | 167 | 167.3 Ų | 167.3 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | -166.7 | 148.5 | 60.7 | -91.3 | 177.9 | 159.5 | 0 | 0 | 113.3 | |||||
| 238 | E | 26.8 | Very low | 28.1 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 33.8 | 127.1 | 137.4 | -55.4 | -166.8 | 149.6 | 0 | 0 | 124 | ||||
| 239 | E | 26.9 | Very low | 28.2 | Very low | 200 Ų | 200 | 164.1 Ų | 164.1 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | -158 | 130.6 | 108.7 | -121.5 | -174.8 | 166.4 | 0 | 0 | 112.3 | |||||
| 240 | K | 26.4 | Very low | 27.3 | Very low | 191 Ų | 191 | 162.5 Ų | 162.5 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -88.8 | 167.8 | 175.3 | -86.6 | 177.5 | 172.8 | 170.1 | 0 | 111.7 | ||||
| 241 | T | 25.4 | Very low | 27.6 | Very low | 124 Ų | 124 | 159.6 Ų | 159.6 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | 100.8 | 130 | 156.5 | 65.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 242 | K | 27.7 | Very low | 27.9 | Very low | 192 Ų | 192 | 160.4 Ų | 160.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | cis | -162.8 | 139.8 | 23.3 | -122 | 157 | -175.1 | -178.1 | 0 | 110.5 | ||||
| 243 | E | 25.4 | Very low | 28.1 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -62.5 | 151.1 | 149.9 | -60.2 | 169.6 | 132.1 | 0 | 0 | 108.3 | ||||
| 244 | E | 26.9 | Very low | 28.4 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | -178.4 | 147.9 | 71.6 | -108.5 | -178.6 | 151.7 | 0 | 0 | 109.7 | |||||
| 245 | K | 25.8 | Very low | 29 | Very low | 195 Ų | 195 | 157 Ų | 157 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -79.9 | -174.7 | 156.8 | -115 | -179.3 | -178.7 | 179.3 | 0 | 108.5 | ||||
| 246 | P | 40.7 | Very low | 29.6 | Very low | 102 Ų | 102 | 165 Ų | 165 | 66% | 0.662 | 83% | 0.83 | S | S | * | * | cis | -139.4 | -161.8 | -19.5 | 31.6 | -6.9 | 0 | 0 | 0 | 113 | ||||
| 247 | E | 26.1 | Very low | 29.9 | Very low | 193 Ų | 193 | 167 Ų | 167 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | 103.8 | 148.1 | 144.7 | -86.1 | -173.3 | -172.9 | 0 | 0 | 122.4 | ||||
| 248 | A | 29.6 | Very low | 30.1 | Very low | 87 Ų | 87 | 167 Ų | 167 | 72% | 0.719 | 84% | 0.836 | S | S | * | * | trans | -110.9 | 156.5 | -156.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 249 | K | 29 | Very low | 30.3 | Very low | 215 Ų | 215 | 166.4 Ų | 166.4 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | trans | 172.3 | 145 | 131.1 | -97.4 | 169.5 | -177 | 174.6 | 0 | 111 | ||||
| 250 | G | 27.3 | Very low | 30.5 | Very low | 74 Ų | 74 | 164.5 Ų | 164.5 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -98.1 | -167 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 251 | V | 32.7 | Very low | 30.7 | Very low | 134 Ų | 134 | 162.8 Ų | 162.8 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -155.8 | 115 | 171 | -178.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 252 | K | 32.7 | Very low | 31.1 | Very low | 174 Ų | 174 | 165.4 Ų | 165.4 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | 47.8 | 142 | 97.9 | -69.7 | -171.7 | 171.6 | -161.6 | 0 | 113.3 | |||||
| 253 | E | 30.8 | Very low | 31.3 | Very low | 156 Ų | 156 | 163.5 Ų | 163.5 | 73% | 0.729 | 84% | 0.836 | S | S | * | * | cis | -171.9 | -172.1 | 10.6 | -133.9 | 166.8 | 154.1 | 0 | 0 | 107.3 | ||||
| 254 | E | 32.5 | Very low | 31.8 | Very low | 186 Ų | 186 | 162.3 Ų | 162.3 | 87% | 0.869 | 84% | 0.835 | S | S | * | * | trans | 98.9 | 99.3 | 168.7 | -54.5 | -163.9 | 164 | 0 | 0 | 115.5 | ||||
| 255 | V | 38.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 160.3 Ų | 160.3 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | 71.3 | 97.1 | 59.5 | -172.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 256 | K | 40 | Very low | 32.7 | Very low | 278 Ų | 278 | 157.2 Ų | 157.2 | 100% | 1.209 | 83% | 0.831 | S | S | * | * | -168.2 | 0 | 114.7 | -111.5 | -179.4 | -177.8 | 175.2 | 0 | 111.5 |
Retrieved 256 of 256 residues in 557.2 ms
(Link to these results)