| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 53.4 | Low | 232 Ų | 232 | 111.2 Ų | 111.2 | 100% | 1.143 | 64% | 0.641 | S | S | * | * | 0 | 97.6 | 0 | -168.6 | 97.6 | 167.2 | 0 | 0 | 105.4 | L3 | M1-L3 PolarHBondContact O-N 3.36Š| |||
| 2 | T | 39.3 | Very low | 56.5 | Low | 125 Ų | 125 | 103.9 Ų | 103.9 | 77% | 0.767 | 60% | 0.602 | S | S | * | * | trans | -74.2 | 113.3 | 174.3 | -46.6 | 0 | 0 | 0 | 0 | 105.6 | L4 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.04Å | ||
| 3 | L | 49.2 | Very low | 59.4 | Low | 108 Ų | 108 | 95.9 Ų | 95.9 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | trans | -61.7 | 98.8 | 173.7 | -77.1 | 159 | 0 | 0 | 0 | 106.8 | M1 I5 L64 | M1-L3 PolarHBondContact O-N 3.36Å; L3-I5 PolarHBondContact O-N 3.44Å; L3-L64 HydrophobicContact CD1-CD1 3.77Å | ||
| 4 | L | 47.4 | Very low | 62 | Low | 142 Ų | 142 | 92.9 Ų | 92.9 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | trans | -70.9 | 98.8 | 171.6 | -63.1 | 171.7 | 0 | 0 | 0 | 105.5 | T2 T6 | T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 3.04Å; L4-T6 WeakPolarHBondContact CB-OG1 3.22Å; L4-T6 PolarHBondContact O-N 3.26Å; L4-T6 PolarHBondContact O-OG1 3.3Å | ||
| 5 | I | 57.2 | Low | 64.4 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 35% | 0.354 | 50% | 0.499 | S | S | . | . | trans | -64.7 | 90.2 | 169.2 | -54.1 | -167.9 | 0 | 0 | 0 | 105.7 | L3 V11 V37 A40 | L3-I5 PolarHBondContact O-N 3.44Å; I5-V11 HydrophobicContact CD1-CB 4.18Å; I5-V11 HydrophobicContact CD1-CG2 3.84Å; I5-V11 HydrophobicContact CG1-CG2 4.21Å; I5-V11 HydrophobicContact CG2-CG2 4.3Å; I5-V37 HydrophobicContact CD1-CG1 4.3Å; I5-A40 HydrophobicContact CD1-CB 3.62Å; I5-A40 HydrophobicContact CG1-CB 4.34Å | ||
| 6 | T | 47.4 | Very low | 66.5 | Low | 109 Ų | 109 | 85 Ų | 85 | 67% | 0.669 | 49% | 0.49 | S | S | * | . | trans | -110.5 | 100.8 | -173.1 | -30.4 | 0 | 0 | 0 | 0 | 106.8 | L4 | L4-T6 WeakPolarHBondContact CB-OG1 3.22Å; L4-T6 PolarHBondContact O-N 3.26Å; L4-T6 PolarHBondContact O-OG1 3.3Å | ||
| 7 | G | 50.7 | Low | 68.3 | Low | 66 Ų | 66 | 88.7 Ų | 88.7 | 68% | 0.68 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 59.9 | 111.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117 | S9 | G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 2.79Å |
| 8 | D | 52.8 | Low | 70 | Confident | 174 Ų | 174 | 87.7 Ų | 87.7 | 93% | 0.93 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 71.4 | -10.4 | 168 | -86.1 | 17.8 | 0 | 0 | 0 | 120 | I10 | D8-I10 PolarHBondContact O-N 2.9Š|
| 9 | S | 59.2 | Low | 71.5 | Confident | 86 Ų | 86 | 84.2 Ų | 84.2 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | trans | -82.2 | 99.7 | 169 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | G7 V11 | G7-S9 VanDerWaalsContact C-N 3.35Å; G7-S9 PolarHBondContact O-N 2.79Å; S9-V11 PolarHBondContact O-N 3.48Å | ||
| 10 | I | 62.3 | Low | 72.7 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 122 | 168.4 | -66.2 | 166.5 | 0 | 0 | 0 | 107.5 | D8 K36 Q68 | D8-I10 PolarHBondContact O-N 2.9Å; I10-K36 HydrophobicContact CG2-CD 4.07Å; I10-K36 HydrophobicContact CG2-CG 3.62Å; I10-Q68 PolarHBondContact O-NE2 2.85Å; I10-Q68 PolarHBondContact O-OE1 3.3Å |
| 11 | V | 83.9 | Confident | 73.8 | Confident | 26 Ų | 26 | 83.3 Ų | 83.3 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 123.6 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | I5 S9 V37 L64 | I5-V11 HydrophobicContact CD1-CB 4.18Å; I5-V11 HydrophobicContact CD1-CG2 3.84Å; I5-V11 HydrophobicContact CG1-CG2 4.21Å; I5-V11 HydrophobicContact CG2-CG2 4.3Å; S9-V11 PolarHBondContact O-N 3.48Å; V11-V37 WeakPolarHBondContact O-CB 3.5Å; V11-V37 WeakPolarHBondContact O-CG2 3.28Å; V11-V37 PolarHBondContact O-N 2.96Å; V11-L64 HydrophobicContact CG1-CD2 3.79Å |
| 12 | S | 91 | Very high | 76.5 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 17% | 0.168 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.7 | 172.3 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | W65 | S12-W65 PolarHBondContact O-N 3.47Å |
| 13 | A | 94.2 | Very high | 79 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V34 I35 V37 V62 R63 L64 | A13-V34 CarbonylContact O-C 3.51Å; A13-V34 WeakPolarHBondContact O-CA 3.38Å; A13-I35 PolarHBondContact N-O 3.34Å; A13-I35 PolarHBondContact O-N 3.02Å; A13-V37 HydrophobicContact CB-CG2 3.81Å; A13-V62 HydrophobicContact CB-CB 3.9Å; A13-V62 HydrophobicContact CB-CG2 3.83Å; A13-R63 CarbonylContact C-O 3.51Å; A13-R63 WeakPolarHBondContact CA-O 3.36Å; A13-L64 HydrophobicContact CB-CD2 3.99Å |
| 14 | E | 96.1 | Very high | 81 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.8 | 174.3 | 176 | -169.5 | -178.1 | 0 | 0 | 109.6 | V16 D33 V62 R63 W65 | E14-V16 PolarHBondContact O-N 3.11Å; E14-D33 WeakPolarHBondContact CA-O 3.42Å; E14-V62 CarbonylContact O-C 3.57Å; E14-V62 VanDerWaalsContact O-CA 3.28Å; E14-V62 WeakPolarHBondContact O-CA 3.24Å; E14-R63 PolarHBondContact N-O 2.98Å; E14-R63 PolarHBondContact O-N 2.89Å; E14-R63 IonicContact OE1-NH2 2.73Å; E14-R63 IonicContact OE2-CZ 3.6Å; E14-R63 IonicContact OE2-NE 2.98Å; E14-R63 IonicContact OE2-NH2 3.8Å; E14-R63 PolarHBondContact OE2-NH2 3.42Å; E14-W65 HydrophobicContact CB-CZ2 4.15Å; E14-W65 VanDerWaalsContact CB-NE1 3.28Å; E14-W65 PolarHBondContact OE2-NE1 2.93Å |
| 15 | A | 97.5 | Very high | 83.3 | Confident | 2 Ų | 2 | 82.9 Ų | 82.9 | 2% | 0.017 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 122.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F29 K30 G32 D33 | A15-F29 HydrophobicContact CB-CD2 3.46Å; A15-F29 VanDerWaalsContact CB-CD2 3.46Å; A15-F29 HydrophobicContact CB-CE2 3.67Å; A15-F29 HydrophobicContact CB-CG 4.46Å; A15-K30 VanDerWaalsContact CB-O 3.24Å; A15-K30 WeakPolarHBondContact CB-O 3.48Å; A15-G32 PolarHBondContact O-N 3.06Å; A15-D33 HydrophobicContact CB-CB 4.46Å; A15-D33 PolarHBondContact N-O 3.47Å |
| 16 | V | 97.8 | Very high | 85.2 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 35% | 0.352 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -86.7 | -26.3 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 110.7 | E14 F61 R63 | E14-V16 PolarHBondContact O-N 3.11Å; V16-F61 PolarHBondContact N-O 2.78Å; V16-R63 HydrophobicContact CG2-CB 3.74Å |
| 17 | W | 98.1 | Very high | 87.6 | Confident | 148 Ų | 148 | 77.4 Ų | 77.4 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -138.1 | 160.8 | 178.8 | -57.6 | -56.1 | 0 | 0 | 0 | 111.5 | F29 S60 F61 | W17-F29 WeakPolarHBondContact O-CE2 3.32Å; W17-S60 WeakPolarHBondContact CZ3-O 3.14Å; W17-F61 HydrophobicContact CB-CD2 4.12Å; W17-F61 HydrophobicContact CE3-CD1 4.49Å; W17-F61 HydrophobicContact CE3-CG 4.34Å; W17-F61 PolarHBondContact N-O 3.08Å |
| 18 | D | 98.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 76.6 Ų | 76.6 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | trans | -67.7 | 135.7 | 171.9 | -71.2 | 10.4 | 0 | 0 | 0 | 111 | V20 F29 K30 A31 F61 | D18-V20 HydrophobicContact CB-CG2 4.36Å; D18-F29 WeakPolarHBondContact CA-O 3.46Å; D18-K30 HydrophobicContact CB-CD 4.35Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 WeakPolarHBondContact OD1-CA 3.31Å; D18-K30 VanDerWaalsContact OD2-CD 3.22Å; D18-K30 WeakPolarHBondContact OD2-CD 3.26Å; D18-K30 IonicContact OD2-NZ 3.79Å; D18-K30 PolarHBondContact OD2-NZ 3.11Å; D18-A31 PolarHBondContact OD1-N 2.92Å; D18-F61 WeakPolarHBondContact O-CE2 3.46Å | ||
| 19 | H | 97.8 | Very high | 92 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 9% | 0.093 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -110.4 | 98.6 | 164.5 | -171.9 | 59.9 | 0 | 0 | 0 | 109.4 | E26 L27 A28 F29 F61 | H19-E26 IonicContact CE1-OE2 3.99Å; H19-E26 IonicContact NE2-OE2 3.06Å; H19-E26 PolarHBondContact NE2-OE2 3.32Å; H19-L27 PolarHBondContact CD2-O 3.39Å; H19-L27 VanDerWaalsContact CD2-O 3.28Å; H19-A28 WeakPolarHBondContact O-CA 3.41Å; H19-F29 HydrophobicContact CB-CD1 4.04Å; H19-F29 HydrophobicContact CB-CD2 4.07Å; H19-F29 HydrophobicContact CB-CE1 3.59Å; H19-F29 HydrophobicContact CB-CE2 3.62Å; H19-F29 HydrophobicContact CB-CG 4.27Å; H19-F29 HydrophobicContact CB-CZ 3.37Å; H19-F29 PolarHBondContact N-O 3.14Å; H19-F29 PolarHBondContact O-N 2.85Å; H19-F61 HydrophobicContact CB-CD2 4.16Å |
| 20 | V | 96.8 | Very high | 93.8 | Very high | 117 Ų | 117 | 69.9 Ų | 69.9 | 71% | 0.709 | 36% | 0.356 | S | S | * | . | trans | -95 | 116.4 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | D18 | D18-V20 HydrophobicContact CB-CG2 4.36Š| ||
| 21 | T | 94.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | trans | -139.1 | 152 | -178.8 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | A23 E26 A28 | T21-A23 PolarHBondContact OG1-N 3.06Å; T21-E26 WeakPolarHBondContact CB-OE2 3.44Å; T21-E26 HydrophobicContact CG2-CB 3.57Å; T21-E26 PolarHBondContact OG1-OE2 2.85Å; T21-A28 HydrophobicContact CG2-CB 3.97Å | ||
| 22 | M | 94.3 | Very high | 96.1 | Very high | 185 Ų | 185 | 69 Ų | 69 | 91% | 0.911 | 37% | 0.369 | S | S | * | . | trans | -111.3 | 2.4 | 171.4 | -61.4 | -177.6 | 70.6 | 0 | 0 | 111.5 | ||||
| 23 | A | 93.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 70.8 Ų | 70.8 | 36% | 0.355 | 38% | 0.377 | S | S | . | . | trans | -81.4 | 122.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T21 R25 E26 | T21-A23 PolarHBondContact OG1-N 3.06Å; A23-R25 PolarHBondContact O-N 2.77Å; A23-E26 HydrophobicContact CB-CB 4.27Å; A23-E26 HydrophobicContact CB-CG 3.97Å; A23-E26 PolarHBondContact O-N 2.79Å | ||
| 24 | N | 90.6 | Very high | 96.5 | Very high | 170 Ų | 170 | 73.9 Ų | 73.9 | 91% | 0.909 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -4.3 | -177.2 | -58.9 | 1.5 | 0 | 0 | 0 | 115.4 | ||
| 25 | R | 94.6 | Very high | 96.5 | Very high | 199 Ų | 199 | 71.4 Ų | 71.4 | 75% | 0.751 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -4.6 | 178.5 | -64.3 | -172.9 | 179.9 | -139.9 | -0.1 | 112.6 | A23 W56 | A23-R25 PolarHBondContact O-N 2.77Å; R25-W56 PolarHBondContact O-N 2.79Å |
| 26 | E | 97.7 | Very high | 96.4 | Very high | 60 Ų | 60 | 75 Ų | 75 | 28% | 0.28 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 145.8 | -179.3 | -66.8 | -179 | -158.5 | 0 | 0 | 110.4 | H19 T21 A23 W45 W56 | H19-E26 IonicContact CE1-OE2 3.99Å; H19-E26 IonicContact NE2-OE2 3.06Å; H19-E26 PolarHBondContact NE2-OE2 3.32Å; T21-E26 WeakPolarHBondContact CB-OE2 3.44Å; T21-E26 HydrophobicContact CG2-CB 3.57Å; T21-E26 PolarHBondContact OG1-OE2 2.85Å; A23-E26 HydrophobicContact CB-CB 4.27Å; A23-E26 HydrophobicContact CB-CG 3.97Å; A23-E26 PolarHBondContact O-N 2.79Å; E26-W45 HydrophobicContact CG-CH2 4.49Å; E26-W45 HydrophobicContact CG-CZ3 4.08Å; E26-W56 CarbonylContact C-O 3.56Å; E26-W56 WeakPolarHBondContact CA-O 3.41Å; E26-W56 WeakPolarHBondContact CB-O 3.25Å |
| 27 | L | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.016 | 38% | 0.384 | C | S | . | . | trans | -90.9 | 112.5 | -179.8 | -172.7 | 66.8 | 0 | 0 | 0 | 109.5 | H19 F29 I35 I50 E53 W56 F57 | H19-L27 PolarHBondContact CD2-O 3.39Å; H19-L27 VanDerWaalsContact CD2-O 3.28Å; L27-F29 HydrophobicContact CG-CD1 4.46Å; L27-F29 VanDerWaalsContact O-CD1 3.26Å; L27-F29 WeakPolarHBondContact O-CD1 3.46Å; L27-F29 WeakPolarHBondContact O-CE1 3.24Å; L27-I35 HydrophobicContact CD2-CG2 3.89Å; L27-I50 HydrophobicContact CD2-CD1 4.05Å; L27-I50 HydrophobicContact CD2-CG1 4.06Å; L27-I50 HydrophobicContact CG-CD1 4.23Å; L27-E53 HydrophobicContact CD1-CB 4.07Å; L27-E53 WeakPolarHBondContact CD1-O 3.21Å; L27-W56 PolarHBondContact N-O 3.21Å; L27-F57 HydrophobicContact CB-CB 4.5Å; L27-F57 HydrophobicContact CD2-CD1 4.31Å | ||
| 28 | A | 97.8 | Very high | 95.9 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | trans | -81.3 | 141.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H19 T21 | H19-A28 WeakPolarHBondContact O-CA 3.41Å; T21-A28 HydrophobicContact CG2-CB 3.97Å | ||
| 29 | F | 98 | Very high | 95.6 | Very high | 10 Ų | 10 | 68.4 Ų | 68.4 | 4% | 0.044 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -158.5 | 168 | 177.9 | 53 | -97.9 | 0 | 0 | 0 | 113.1 | A15 W17 D18 H19 L27 D33 I35 I50 F57 F61 V62 | A15-F29 HydrophobicContact CB-CD2 3.46Å; A15-F29 VanDerWaalsContact CB-CD2 3.46Å; A15-F29 HydrophobicContact CB-CE2 3.67Å; A15-F29 HydrophobicContact CB-CG 4.46Å; W17-F29 WeakPolarHBondContact O-CE2 3.32Å; D18-F29 WeakPolarHBondContact CA-O 3.46Å; H19-F29 HydrophobicContact CB-CD1 4.04Å; H19-F29 HydrophobicContact CB-CD2 4.07Å; H19-F29 HydrophobicContact CB-CE1 3.59Å; H19-F29 HydrophobicContact CB-CE2 3.62Å; H19-F29 HydrophobicContact CB-CG 4.27Å; H19-F29 HydrophobicContact CB-CZ 3.37Å; H19-F29 PolarHBondContact N-O 3.14Å; H19-F29 PolarHBondContact O-N 2.85Å; L27-F29 HydrophobicContact CG-CD1 4.46Å; L27-F29 VanDerWaalsContact O-CD1 3.26Å; L27-F29 WeakPolarHBondContact O-CD1 3.46Å; L27-F29 WeakPolarHBondContact O-CE1 3.24Å; F29-D33 HydrophobicContact CB-CB 4.21Å; F29-D33 WeakPolarHBondContact CB-OD2 3.29Å; F29-I35 HydrophobicContact CD1-CD1 3.53Å; F29-I35 HydrophobicContact CD2-CD1 4.18Å; F29-I35 HydrophobicContact CE1-CD1 3.6Å; F29-I35 HydrophobicContact CE2-CD1 4.23Å; F29-I35 HydrophobicContact CG-CD1 3.83Å; F29-I35 HydrophobicContact CZ-CD1 3.95Å; F29-I50 HydrophobicContact CB-CD1 3.57Å; F29-I50 HydrophobicContact CD1-CD1 4.37Å; F29-I50 HydrophobicContact CG-CD1 4.33Å; F29-F57 HydrophobicContact CE1-CB 3.56Å; F29-F57 HydrophobicContact CE1-CD2 4.17Å; F29-F57 HydrophobicContact CE1-CG 4.01Å; F29-F57 HydrophobicContact CZ-CB 4.19Å; F29-F57 HydrophobicContact CZ-CD2 4.25Å; F29-F61 HydrophobicContact CE2-CB 4.25Å; F29-F61 HydrophobicContact CZ-CB 4.14Å; F29-V62 HydrophobicContact CE2-CG1 4.46Å; F29-V62 HydrophobicContact CZ-CG1 4.24Å |
| 30 | K | 98.3 | Very high | 95.3 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | trans | -107.3 | 153.8 | 175.3 | -65.2 | -55 | -169.3 | -177.1 | 0 | 111.8 | A15 D18 G32 D33 | A15-K30 VanDerWaalsContact CB-O 3.24Å; A15-K30 WeakPolarHBondContact CB-O 3.48Å; D18-K30 HydrophobicContact CB-CD 4.35Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 WeakPolarHBondContact OD1-CA 3.31Å; D18-K30 VanDerWaalsContact OD2-CD 3.22Å; D18-K30 WeakPolarHBondContact OD2-CD 3.26Å; D18-K30 IonicContact OD2-NZ 3.79Å; D18-K30 PolarHBondContact OD2-NZ 3.11Å; K30-G32 PolarHBondContact O-N 3.4Å; K30-D33 PolarHBondContact N-OD2 2.89Å; K30-D33 WeakPolarHBondContact O-CB 3.36Å; K30-D33 VanDerWaalsContact O-CG 3.29Å; K30-D33 PolarHBondContact O-N 3.48Å | ||
| 31 | A | 97.8 | Very high | 95 | Very high | 54 Ų | 54 | 68.1 Ų | 68.1 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | D18 | D18-A31 PolarHBondContact OD1-N 2.92Š|
| 32 | G | 96.7 | Very high | 94.9 | Very high | 41 Ų | 41 | 70 Ų | 70 | 42% | 0.423 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -14.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A15 K30 | A15-G32 PolarHBondContact O-N 3.06Å; K30-G32 PolarHBondContact O-N 3.4Å |
| 33 | D | 97.2 | Very high | 94.7 | Very high | 61 Ų | 61 | 69.1 Ų | 69.1 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | trans | -66.1 | 142.3 | 176.6 | -68.4 | -15 | 0 | 0 | 0 | 110.9 | E14 A15 F29 K30 I50 | E14-D33 WeakPolarHBondContact CA-O 3.42Å; A15-D33 HydrophobicContact CB-CB 4.46Å; A15-D33 PolarHBondContact N-O 3.47Å; F29-D33 HydrophobicContact CB-CB 4.21Å; F29-D33 WeakPolarHBondContact CB-OD2 3.29Å; K30-D33 PolarHBondContact N-OD2 2.89Å; K30-D33 WeakPolarHBondContact O-CB 3.36Å; K30-D33 VanDerWaalsContact O-CG 3.29Å; K30-D33 PolarHBondContact O-N 3.48Å; D33-I50 HydrophobicContact CB-CD1 4.4Å | ||
| 34 | V | 95.8 | Very high | 94.8 | Very high | 65 Ų | 65 | 71.2 Ų | 71.2 | 39% | 0.394 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.4 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | A13 W65 | A13-V34 CarbonylContact O-C 3.51Å; A13-V34 WeakPolarHBondContact O-CA 3.38Å; V34-W65 HydrophobicContact CG1-CH2 4.17Å; V34-W65 HydrophobicContact CG1-CZ3 4.31Å; V34-W65 HydrophobicContact CG2-CH2 3.56Å; V34-W65 HydrophobicContact CG2-CZ2 3.73Å; V34-W65 HydrophobicContact CG2-CZ3 4.46Å |
| 35 | I | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.4 | -175.7 | -45.6 | -171.8 | 0 | 0 | 0 | 108.7 | A13 L27 F29 V37 I50 F57 V62 | A13-I35 PolarHBondContact N-O 3.34Å; A13-I35 PolarHBondContact O-N 3.02Å; L27-I35 HydrophobicContact CD2-CG2 3.89Å; F29-I35 HydrophobicContact CD1-CD1 3.53Å; F29-I35 HydrophobicContact CD2-CD1 4.18Å; F29-I35 HydrophobicContact CE1-CD1 3.6Å; F29-I35 HydrophobicContact CE2-CD1 4.23Å; F29-I35 HydrophobicContact CG-CD1 3.83Å; F29-I35 HydrophobicContact CZ-CD1 3.95Å; I35-V37 PolarHBondContact O-N 2.93Å; I35-I50 HydrophobicContact CB-CG1 4.37Å; I35-I50 HydrophobicContact CD1-CD1 4.16Å; I35-I50 HydrophobicContact CG1-CD1 3.9Å; I35-I50 HydrophobicContact CG1-CG1 3.97Å; I35-I50 HydrophobicContact CG2-CG1 4.28Å; I35-F57 HydrophobicContact CD1-CD2 4.49Å; I35-F57 HydrophobicContact CD1-CE2 4.49Å; I35-F57 HydrophobicContact CG2-CE1 3.94Å; I35-F57 HydrophobicContact CG2-CZ 4.1Å; I35-V62 HydrophobicContact CD1-CG1 3.93Å |
| 36 | K | 94.6 | Very high | 95.2 | Very high | 77 Ų | 77 | 60 Ų | 60 | 34% | 0.335 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114 | 168.8 | -175.8 | -179.1 | 176.1 | -177.9 | 0 | 108.7 | I10 L38 G48 Q49 | I10-K36 HydrophobicContact CG2-CD 4.07Å; I10-K36 HydrophobicContact CG2-CG 3.62Å; K36-L38 HydrophobicContact CD-CD2 4.07Å; K36-L38 HydrophobicContact CG-CD2 4.11Å; K36-L38 PolarHBondContact O-N 2.73Å; K36-G48 CarbonylContact O-C 3.57Å; K36-G48 WeakPolarHBondContact O-CA 3.08Å; K36-Q49 HydrophobicContact CB-CB 4.32Å; K36-Q49 PolarHBondContact N-O 2.81Å; K36-Q49 PolarHBondContact O-N 3.34Å |
| 37 | V | 93.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.2 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | I5 V11 A13 I35 A40 W46 F57 L64 | I5-V37 HydrophobicContact CD1-CG1 4.3Å; V11-V37 WeakPolarHBondContact O-CB 3.5Å; V11-V37 WeakPolarHBondContact O-CG2 3.28Å; V11-V37 PolarHBondContact O-N 2.96Å; A13-V37 HydrophobicContact CB-CG2 3.81Å; I35-V37 PolarHBondContact O-N 2.93Å; V37-A40 HydrophobicContact CG1-CB 4.06Å; V37-W46 HydrophobicContact CG1-CB 4.5Å; V37-W46 HydrophobicContact CG1-CD2 4.47Å; V37-W46 HydrophobicContact CG1-CE3 4.16Å; V37-W46 HydrophobicContact CG2-CE3 4.36Å; V37-F57 HydrophobicContact CG2-CZ 4.32Å; V37-L64 HydrophobicContact CG2-CD2 4.33Å |
| 38 | L | 92.6 | Very high | 95 | Very high | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -36.5 | -177.2 | -61.3 | 179.7 | 0 | 0 | 0 | 112.2 | K36 W47 Q49 E54 | K36-L38 HydrophobicContact CD-CD2 4.07Å; K36-L38 HydrophobicContact CG-CD2 4.11Å; K36-L38 PolarHBondContact O-N 2.73Å; L38-W47 PolarHBondContact N-O 3.47Å; L38-Q49 HydrophobicContact CD1-CB 4.03Å; L38-Q49 HydrophobicContact CG-CB 4.43Å; L38-E54 HydrophobicContact CD1-CG 4.16Å |
| 39 | D | 91.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 121.2 | 174.9 | -174.1 | -2.2 | 0 | 0 | 0 | 111 | S41 W46 W47 | D39-S41 WeakPolarHBondContact OD1-CB 3.48Å; D39-S41 PolarHBondContact OD1-N 3.17Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.07Å; D39-W46 CarbonylContact O-C 3.57Å; D39-W46 VanDerWaalsContact O-CA 3.28Å; D39-W46 WeakPolarHBondContact O-CA 3.36Å; D39-W46 WeakPolarHBondContact O-CB 3.41Å; D39-W47 HydrophobicContact CB-CB 3.88Å; D39-W47 PolarHBondContact N-O 3.47Å; D39-W47 PolarHBondContact O-N 2.93Å |
| 40 | A | 91.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 23% | 0.231 | 32% | 0.324 | C | S | . | . | trans | -120.1 | 23.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I5 V37 N42 W46 | I5-A40 HydrophobicContact CD1-CB 3.62Å; I5-A40 HydrophobicContact CG1-CB 4.34Å; V37-A40 HydrophobicContact CG1-CB 4.06Å; A40-N42 VanDerWaalsContact C-N 3.29Å; A40-N42 PolarHBondContact O-N 2.91Å; A40-W46 HydrophobicContact CB-CD2 3.97Å; A40-W46 HydrophobicContact CB-CG 4.05Å; A40-W46 HydrophobicContact CB-CZ2 4.29Å | ||
| 41 | S | 89.3 | Confident | 94.5 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 71% | 0.713 | 34% | 0.338 | S | S | * | . | trans | -66.4 | -30.4 | -179.7 | 61.4 | 0 | 0 | 0 | 0 | 113 | D39 | D39-S41 WeakPolarHBondContact OD1-CB 3.48Å; D39-S41 PolarHBondContact OD1-N 3.17Å; D39-S41 PolarHBondContact OD1-OG 3Å; D39-S41 PolarHBondContact OD2-OG 3.07Å | ||
| 42 | N | 92 | Very high | 94.3 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -88.3 | 141.9 | 171.5 | -178 | -43.9 | 0 | 0 | 0 | 110.3 | A40 D44 W45 W46 | A40-N42 VanDerWaalsContact C-N 3.29Å; A40-N42 PolarHBondContact O-N 2.91Å; N42-D44 PolarHBondContact OD1-N 2.94Å; N42-W45 WeakPolarHBondContact CB-O 3.33Å; N42-W45 PolarHBondContact OD1-N 2.9Å; N42-W46 PolarHBondContact O-NE1 3.42Å |
| 43 | K | 90.5 | Very high | 94.3 | Very high | 167 Ų | 167 | 72.4 Ų | 72.4 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -74.2 | -28.8 | -175.4 | 73.6 | -177.1 | -172.2 | -174.2 | 0 | 114.2 | ||
| 44 | D | 95.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 74.1 Ų | 74.1 | 47% | 0.465 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -108.2 | -30.2 | -170 | -61.8 | -46.4 | 0 | 0 | 0 | 111.7 | N42 P58 A59 | N42-D44 PolarHBondContact OD1-N 2.94Å; D44-P58 CarbonylContact O-C 3.59Å; D44-P58 WeakPolarHBondContact O-CA 3.42Å; D44-A59 PolarHBondContact O-N 2.93Å |
| 45 | W | 96.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 71 Ų | 71 | 37% | 0.367 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.9 | -173.5 | -74.2 | 86.4 | 0 | 0 | 0 | 111.1 | E26 N42 W56 F57 | E26-W45 HydrophobicContact CG-CH2 4.49Å; E26-W45 HydrophobicContact CG-CZ3 4.08Å; N42-W45 WeakPolarHBondContact CB-O 3.33Å; N42-W45 PolarHBondContact OD1-N 2.9Å; W45-W56 HydrophobicContact CB-CE3 4.2Å; W45-W56 HydrophobicContact CE3-CB 3.91Å; W45-W56 HydrophobicContact CZ3-CB 4.23Å; W45-F57 CarbonylContact C-O 3.5Å; W45-F57 WeakPolarHBondContact CA-O 3.39Å |
| 46 | W | 96.5 | Very high | 94.4 | Very high | 36 Ų | 36 | 75.2 Ų | 75.2 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151.2 | 179.9 | -65.5 | -11 | 0 | 0 | 0 | 110.8 | V37 D39 A40 N42 W56 F57 A59 V62 L64 | V37-W46 HydrophobicContact CG1-CB 4.5Å; V37-W46 HydrophobicContact CG1-CD2 4.47Å; V37-W46 HydrophobicContact CG1-CE3 4.16Å; V37-W46 HydrophobicContact CG2-CE3 4.36Å; D39-W46 CarbonylContact O-C 3.57Å; D39-W46 VanDerWaalsContact O-CA 3.28Å; D39-W46 WeakPolarHBondContact O-CA 3.36Å; D39-W46 WeakPolarHBondContact O-CB 3.41Å; A40-W46 HydrophobicContact CB-CD2 3.97Å; A40-W46 HydrophobicContact CB-CG 4.05Å; A40-W46 HydrophobicContact CB-CZ2 4.29Å; N42-W46 PolarHBondContact O-NE1 3.42Å; W46-W56 VanDerWaalsContact C-CE3 3.42Å; W46-W56 CarbonylContact O-C 3.6Å; W46-W56 WeakPolarHBondContact O-CA 3.3Å; W46-F57 HydrophobicContact CB-CD1 4.44Å; W46-F57 HydrophobicContact CB-CE1 3.82Å; W46-F57 HydrophobicContact CB-CE2 4.09Å; W46-F57 HydrophobicContact CB-CZ 3.63Å; W46-F57 AromaticContact CE3-CE2 4Å; W46-F57 HydrophobicContact CE3-CE2 4Å; W46-F57 AromaticContact CE3-CZ 3.99Å; W46-F57 HydrophobicContact CE3-CZ 3.99Å; W46-F57 PolarHBondContact N-O 3.39Å; W46-F57 VanDerWaalsContact O-CD1 3.3Å; W46-F57 WeakPolarHBondContact O-CD1 3.21Å; W46-F57 PolarHBondContact O-N 3.39Å; W46-A59 HydrophobicContact CD2-CB 3.56Å; W46-A59 HydrophobicContact CE3-CB 4.06Å; W46-A59 HydrophobicContact CG-CB 3.96Å; W46-A59 HydrophobicContact CH2-CB 4.17Å; W46-A59 HydrophobicContact CZ2-CB 3.69Å; W46-A59 HydrophobicContact CZ3-CB 4.34Å; W46-V62 HydrophobicContact CE3-CG2 4.03Å; W46-V62 HydrophobicContact CZ3-CG2 3.69Å; W46-L64 HydrophobicContact CH2-CD1 4.1Å; W46-L64 HydrophobicContact CH2-CD2 3.94Å; W46-L64 HydrophobicContact CH2-CG 4.07Å; W46-L64 HydrophobicContact CZ3-CD2 3.61Å; W46-L64 HydrophobicContact CZ3-CG 4.18Å |
| 47 | W | 96.2 | Very high | 94.6 | Very high | 64 Ų | 64 | 71.6 Ų | 71.6 | 24% | 0.242 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.7 | 168.8 | -167.3 | -106.1 | 0 | 0 | 0 | 108.4 | L38 D39 E54 G55 W56 | L38-W47 PolarHBondContact N-O 3.47Å; D39-W47 HydrophobicContact CB-CB 3.88Å; D39-W47 PolarHBondContact N-O 3.47Å; D39-W47 PolarHBondContact O-N 2.93Å; W47-E54 HydrophobicContact CZ2-CB 3.72Å; W47-E54 PolarHBondContact NE1-OE2 2.77Å; W47-G55 VanDerWaalsContact CZ3-CA 3.41Å; W47-W56 HydrophobicContact CB-CE3 4.24Å; W47-W56 HydrophobicContact CB-CH2 4.07Å; W47-W56 HydrophobicContact CB-CZ3 3.92Å; W47-W56 HydrophobicContact CE3-CB 4.3Å; W47-W56 AromaticContact CE3-CD1 3.56Å; W47-W56 AromaticContact CE3-CD2 3.5Å; W47-W56 HydrophobicContact CE3-CD2 3.5Å; W47-W56 AromaticContact CE3-CE2 3.39Å; W47-W56 HydrophobicContact CE3-CE3 4.16Å; W47-W56 AromaticContact CE3-CG 3.57Å; W47-W56 HydrophobicContact CE3-CG 3.57Å; W47-W56 AromaticContact CE3-CZ2 3.94Å; W47-W56 HydrophobicContact CE3-CZ2 3.94Å; W47-W56 AromaticContact CE3-NE1 3.42Å; W47-W56 HydrophobicContact CZ3-CB 4.41Å; W47-W56 AromaticContact CZ3-CD1 3.28Å; W47-W56 HydrophobicContact CZ3-CD2 4.08Å; W47-W56 AromaticContact CZ3-CE2 3.83Å; W47-W56 AromaticContact CZ3-CG 3.72Å; W47-W56 HydrophobicContact CZ3-CG 3.72Å; W47-W56 VanDerWaalsContact CZ3-N 3.32Å; W47-W56 AromaticContact CZ3-NE1 3.32Å; W47-W56 VanDerWaalsContact CZ3-NE1 3.32Å |
| 48 | G | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 178.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K36 E54 G55 | K36-G48 CarbonylContact O-C 3.57Å; K36-G48 WeakPolarHBondContact O-CA 3.08Å; G48-E54 VanDerWaalsContact O-CA 3.31Å; G48-E54 WeakPolarHBondContact O-CA 3.46Å; G48-G55 PolarHBondContact N-O 3.22Å; G48-G55 VanDerWaalsContact N-O 3.11Å; G48-G55 PolarHBondContact O-N 2.81Å |
| 49 | Q | 96.4 | Very high | 94.9 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 137.3 | -172.4 | -174.4 | 177.7 | 29 | 0 | 0 | 111.1 | K36 L38 D51 E53 E54 | K36-Q49 HydrophobicContact CB-CB 4.32Å; K36-Q49 PolarHBondContact N-O 2.81Å; K36-Q49 PolarHBondContact O-N 3.34Å; L38-Q49 HydrophobicContact CD1-CB 4.03Å; L38-Q49 HydrophobicContact CG-CB 4.43Å; Q49-D51 WeakPolarHBondContact CG-O 3.47Å; Q49-D51 PolarHBondContact NE2-O 2.89Å; Q49-D51 VanDerWaalsContact NE2-O 3.08Å; Q49-E53 VanDerWaalsContact CA-O 3.29Å; Q49-E53 WeakPolarHBondContact CA-O 3.45Å; Q49-E54 HydrophobicContact CB-CG 3.98Å; Q49-E54 HydrophobicContact CG-CG 3.9Å |
| 50 | I | 96 | Very high | 95.1 | Very high | 33 Ų | 33 | 70 Ų | 70 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.2 | 164.4 | -63.6 | 165.9 | 0 | 0 | 0 | 106.3 | L27 F29 D33 I35 D52 E53 | L27-I50 HydrophobicContact CD2-CD1 4.05Å; L27-I50 HydrophobicContact CD2-CG1 4.06Å; L27-I50 HydrophobicContact CG-CD1 4.23Å; F29-I50 HydrophobicContact CB-CD1 3.57Å; F29-I50 HydrophobicContact CD1-CD1 4.37Å; F29-I50 HydrophobicContact CG-CD1 4.33Å; D33-I50 HydrophobicContact CB-CD1 4.4Å; I35-I50 HydrophobicContact CB-CG1 4.37Å; I35-I50 HydrophobicContact CD1-CD1 4.16Å; I35-I50 HydrophobicContact CG1-CD1 3.9Å; I35-I50 HydrophobicContact CG1-CG1 3.97Å; I35-I50 HydrophobicContact CG2-CG1 4.28Å; I50-D52 PolarHBondContact O-N 2.93Å; I50-D52 VanDerWaalsContact O-N 3.11Å; I50-E53 PolarHBondContact N-O 3.28Å; I50-E53 PolarHBondContact O-N 3.28Å |
| 51 | D | 91.9 | Very high | 95.4 | Very high | 145 Ų | 145 | 71.6 Ų | 71.6 | 78% | 0.775 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | -115.9 | -171.8 | -59.3 | -41.3 | 0 | 0 | 0 | 111.6 | Q49 | Q49-D51 WeakPolarHBondContact CG-O 3.47Å; Q49-D51 PolarHBondContact NE2-O 2.89Å; Q49-D51 VanDerWaalsContact NE2-O 3.08Å |
| 52 | D | 92.9 | Very high | 95.8 | Very high | 162 Ų | 162 | 67.6 Ų | 67.6 | 87% | 0.866 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 0 | 179.5 | -64.7 | -45.3 | 0 | 0 | 0 | 113.3 | I50 | I50-D52 PolarHBondContact O-N 2.93Å; I50-D52 VanDerWaalsContact O-N 3.11Å |
| 53 | E | 95.8 | Very high | 95.8 | Very high | 138 Ų | 138 | 70.8 Ų | 70.8 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.1 | -179.3 | -64.8 | -166.8 | 174.7 | 0 | 0 | 111.5 | L27 Q49 I50 | L27-E53 HydrophobicContact CD1-CB 4.07Å; L27-E53 WeakPolarHBondContact CD1-O 3.21Å; Q49-E53 VanDerWaalsContact CA-O 3.29Å; Q49-E53 WeakPolarHBondContact CA-O 3.45Å; I50-E53 PolarHBondContact N-O 3.28Å; I50-E53 PolarHBondContact O-N 3.28Å |
| 54 | E | 96.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.5 | 175.2 | -66.2 | -171.7 | -172 | 0 | 0 | 111.3 | L38 W47 G48 Q49 | L38-E54 HydrophobicContact CD1-CG 4.16Å; W47-E54 HydrophobicContact CZ2-CB 3.72Å; W47-E54 PolarHBondContact NE1-OE2 2.77Å; G48-E54 VanDerWaalsContact O-CA 3.31Å; G48-E54 WeakPolarHBondContact O-CA 3.46Å; Q49-E54 HydrophobicContact CB-CG 3.98Å; Q49-E54 HydrophobicContact CG-CG 3.9Å |
| 55 | G | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | 170.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W47 G48 | W47-G55 VanDerWaalsContact CZ3-CA 3.41Å; G48-G55 PolarHBondContact N-O 3.22Å; G48-G55 VanDerWaalsContact N-O 3.11Å; G48-G55 PolarHBondContact O-N 2.81Å |
| 56 | W | 98 | Very high | 93.8 | Very high | 89 Ų | 89 | 66 Ų | 66 | 34% | 0.337 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.7 | 172 | -71.8 | 107.9 | 0 | 0 | 0 | 110.8 | R25 E26 L27 W45 W46 W47 | R25-W56 PolarHBondContact O-N 2.79Å; E26-W56 CarbonylContact C-O 3.56Å; E26-W56 WeakPolarHBondContact CA-O 3.41Å; E26-W56 WeakPolarHBondContact CB-O 3.25Å; L27-W56 PolarHBondContact N-O 3.21Å; W45-W56 HydrophobicContact CB-CE3 4.2Å; W45-W56 HydrophobicContact CE3-CB 3.91Å; W45-W56 HydrophobicContact CZ3-CB 4.23Å; W46-W56 VanDerWaalsContact C-CE3 3.42Å; W46-W56 CarbonylContact O-C 3.6Å; W46-W56 WeakPolarHBondContact O-CA 3.3Å; W47-W56 HydrophobicContact CB-CE3 4.24Å; W47-W56 HydrophobicContact CB-CH2 4.07Å; W47-W56 HydrophobicContact CB-CZ3 3.92Å; W47-W56 HydrophobicContact CE3-CB 4.3Å; W47-W56 AromaticContact CE3-CD1 3.56Å; W47-W56 AromaticContact CE3-CD2 3.5Å; W47-W56 HydrophobicContact CE3-CD2 3.5Å; W47-W56 AromaticContact CE3-CE2 3.39Å; W47-W56 HydrophobicContact CE3-CE3 4.16Å; W47-W56 AromaticContact CE3-CG 3.57Å; W47-W56 HydrophobicContact CE3-CG 3.57Å; W47-W56 AromaticContact CE3-CZ2 3.94Å; W47-W56 HydrophobicContact CE3-CZ2 3.94Å; W47-W56 AromaticContact CE3-NE1 3.42Å; W47-W56 HydrophobicContact CZ3-CB 4.41Å; W47-W56 AromaticContact CZ3-CD1 3.28Å; W47-W56 HydrophobicContact CZ3-CD2 4.08Å; W47-W56 AromaticContact CZ3-CE2 3.83Å; W47-W56 AromaticContact CZ3-CG 3.72Å; W47-W56 HydrophobicContact CZ3-CG 3.72Å; W47-W56 VanDerWaalsContact CZ3-N 3.32Å; W47-W56 AromaticContact CZ3-NE1 3.32Å; W47-W56 VanDerWaalsContact CZ3-NE1 3.32Å |
| 57 | F | 98.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.5 | 172.6 | 67.5 | -83.7 | 0 | 0 | 0 | 112.5 | L27 F29 I35 V37 W45 W46 A59 V62 | L27-F57 HydrophobicContact CB-CB 4.5Å; L27-F57 HydrophobicContact CD2-CD1 4.31Å; F29-F57 HydrophobicContact CE1-CB 3.56Å; F29-F57 HydrophobicContact CE1-CD2 4.17Å; F29-F57 HydrophobicContact CE1-CG 4.01Å; F29-F57 HydrophobicContact CZ-CB 4.19Å; F29-F57 HydrophobicContact CZ-CD2 4.25Å; I35-F57 HydrophobicContact CD1-CD2 4.49Å; I35-F57 HydrophobicContact CD1-CE2 4.49Å; I35-F57 HydrophobicContact CG2-CE1 3.94Å; I35-F57 HydrophobicContact CG2-CZ 4.1Å; V37-F57 HydrophobicContact CG2-CZ 4.32Å; W45-F57 CarbonylContact C-O 3.5Å; W45-F57 WeakPolarHBondContact CA-O 3.39Å; W46-F57 HydrophobicContact CB-CD1 4.44Å; W46-F57 HydrophobicContact CB-CE1 3.82Å; W46-F57 HydrophobicContact CB-CE2 4.09Å; W46-F57 HydrophobicContact CB-CZ 3.63Å; W46-F57 AromaticContact CE3-CE2 4Å; W46-F57 HydrophobicContact CE3-CE2 4Å; W46-F57 AromaticContact CE3-CZ 3.99Å; W46-F57 HydrophobicContact CE3-CZ 3.99Å; W46-F57 PolarHBondContact N-O 3.39Å; W46-F57 VanDerWaalsContact O-CD1 3.3Å; W46-F57 WeakPolarHBondContact O-CD1 3.21Å; W46-F57 PolarHBondContact O-N 3.39Å; F57-A59 PolarHBondContact O-N 3.44Å; F57-V62 HydrophobicContact CD2-CG1 3.96Å; F57-V62 HydrophobicContact CE2-CB 4.39Å; F57-V62 HydrophobicContact CE2-CG1 3.66Å; F57-V62 HydrophobicContact CE2-CG2 3.77Å |
| 58 | P | 97.6 | Very high | 89.9 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124 | 178.3 | 26.6 | -34 | 0 | 0 | 0 | 111.6 | D44 S60 F61 | D44-P58 CarbonylContact O-C 3.59Å; D44-P58 WeakPolarHBondContact O-CA 3.42Å; P58-S60 PolarHBondContact O-N 3Å; P58-S60 VanDerWaalsContact O-N 3.14Å; P58-F61 HydrophobicContact CB-CD1 3.66Å; P58-F61 HydrophobicContact CB-CE1 4.03Å; P58-F61 HydrophobicContact CB-CG 4.3Å; P58-F61 HydrophobicContact CG-CB 4.03Å; P58-F61 HydrophobicContact CG-CD1 3.34Å; P58-F61 HydrophobicContact CG-CD2 4.1Å; P58-F61 HydrophobicContact CG-CE1 3.73Å; P58-F61 HydrophobicContact CG-CE2 4.41Å; P58-F61 HydrophobicContact CG-CG 3.56Å; P58-F61 HydrophobicContact CG-CZ 4.25Å; P58-F61 PolarHBondContact O-N 3.47Å |
| 59 | A | 96.3 | Very high | 87.7 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -57.4 | -30.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D44 W46 F57 F61 V62 | D44-A59 PolarHBondContact O-N 2.93Å; W46-A59 HydrophobicContact CD2-CB 3.56Å; W46-A59 HydrophobicContact CE3-CB 4.06Å; W46-A59 HydrophobicContact CG-CB 3.96Å; W46-A59 HydrophobicContact CH2-CB 4.17Å; W46-A59 HydrophobicContact CZ2-CB 3.69Å; W46-A59 HydrophobicContact CZ3-CB 4.34Å; F57-A59 PolarHBondContact O-N 3.44Å; A59-F61 PolarHBondContact O-N 3.18Å; A59-V62 WeakPolarHBondContact O-CG2 3.39Å |
| 60 | S | 96.6 | Very high | 85.4 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 59% | 0.587 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -69.4 | -14.7 | -179.8 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | W17 P58 V62 | W17-S60 WeakPolarHBondContact CZ3-O 3.14Å; P58-S60 PolarHBondContact O-N 3Å; P58-S60 VanDerWaalsContact O-N 3.14Å; S60-V62 VanDerWaalsContact C-N 3.35Å |
| 61 | F | 97.8 | Very high | 82.8 | Confident | 61 Ų | 61 | 91.1 Ų | 91.1 | 27% | 0.268 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -88.6 | -5.6 | -175.9 | -78.5 | 50.3 | 0 | 0 | 0 | 113.2 | V16 W17 D18 H19 F29 P58 A59 | V16-F61 PolarHBondContact N-O 2.78Å; W17-F61 HydrophobicContact CB-CD2 4.12Å; W17-F61 HydrophobicContact CE3-CD1 4.49Å; W17-F61 HydrophobicContact CE3-CG 4.34Å; W17-F61 PolarHBondContact N-O 3.08Å; D18-F61 WeakPolarHBondContact O-CE2 3.46Å; H19-F61 HydrophobicContact CB-CD2 4.16Å; F29-F61 HydrophobicContact CE2-CB 4.25Å; F29-F61 HydrophobicContact CZ-CB 4.14Å; P58-F61 HydrophobicContact CB-CD1 3.66Å; P58-F61 HydrophobicContact CB-CE1 4.03Å; P58-F61 HydrophobicContact CB-CG 4.3Å; P58-F61 HydrophobicContact CG-CB 4.03Å; P58-F61 HydrophobicContact CG-CD1 3.34Å; P58-F61 HydrophobicContact CG-CD2 4.1Å; P58-F61 HydrophobicContact CG-CE1 3.73Å; P58-F61 HydrophobicContact CG-CE2 4.41Å; P58-F61 HydrophobicContact CG-CG 3.56Å; P58-F61 HydrophobicContact CG-CZ 4.25Å; P58-F61 PolarHBondContact O-N 3.47Å; A59-F61 PolarHBondContact O-N 3.18Å |
| 62 | V | 96.2 | Very high | 80.6 | Confident | 17 Ų | 17 | 90.1 Ų | 90.1 | 10% | 0.103 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 159.1 | -173.9 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | A13 E14 F29 I35 W46 F57 A59 S60 | A13-V62 HydrophobicContact CB-CB 3.9Å; A13-V62 HydrophobicContact CB-CG2 3.83Å; E14-V62 CarbonylContact O-C 3.57Å; E14-V62 VanDerWaalsContact O-CA 3.28Å; E14-V62 WeakPolarHBondContact O-CA 3.24Å; F29-V62 HydrophobicContact CE2-CG1 4.46Å; F29-V62 HydrophobicContact CZ-CG1 4.24Å; I35-V62 HydrophobicContact CD1-CG1 3.93Å; W46-V62 HydrophobicContact CE3-CG2 4.03Å; W46-V62 HydrophobicContact CZ3-CG2 3.69Å; F57-V62 HydrophobicContact CD2-CG1 3.96Å; F57-V62 HydrophobicContact CE2-CB 4.39Å; F57-V62 HydrophobicContact CE2-CG1 3.66Å; F57-V62 HydrophobicContact CE2-CG2 3.77Å; A59-V62 WeakPolarHBondContact O-CG2 3.39Å; S60-V62 VanDerWaalsContact C-N 3.35Å |
| 63 | R | 93.2 | Very high | 78.3 | Confident | 141 Ų | 141 | 91.4 Ų | 91.4 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.2 | 172.3 | -179.7 | 176.8 | 61.8 | -153.4 | -4.5 | 109.2 | A13 E14 V16 | A13-R63 CarbonylContact C-O 3.51Å; A13-R63 WeakPolarHBondContact CA-O 3.36Å; E14-R63 PolarHBondContact N-O 2.98Å; E14-R63 PolarHBondContact O-N 2.89Å; E14-R63 IonicContact OE1-NH2 2.73Å; E14-R63 IonicContact OE2-CZ 3.6Å; E14-R63 IonicContact OE2-NE 2.98Å; E14-R63 IonicContact OE2-NH2 3.8Å; E14-R63 PolarHBondContact OE2-NH2 3.42Å; V16-R63 HydrophobicContact CG2-CB 3.74Å |
| 64 | L | 90.4 | Very high | 75.8 | Confident | 44 Ų | 44 | 94 Ų | 94 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 139.6 | 177.1 | -64.6 | 179.5 | 0 | 0 | 0 | 111.4 | L3 V11 A13 V37 W46 V66 | L3-L64 HydrophobicContact CD1-CD1 3.77Å; V11-L64 HydrophobicContact CG1-CD2 3.79Å; A13-L64 HydrophobicContact CB-CD2 3.99Å; V37-L64 HydrophobicContact CG2-CD2 4.33Å; W46-L64 HydrophobicContact CH2-CD1 4.1Å; W46-L64 HydrophobicContact CH2-CD2 3.94Å; W46-L64 HydrophobicContact CH2-CG 4.07Å; W46-L64 HydrophobicContact CZ3-CD2 3.61Å; W46-L64 HydrophobicContact CZ3-CG 4.18Å; L64-V66 PolarHBondContact O-N 2.89Å |
| 65 | W | 85.1 | Confident | 72.9 | Confident | 113 Ų | 113 | 92 Ų | 92 | 43% | 0.428 | 47% | 0.467 | S | S | . | . | trans | -86.2 | 100.2 | 169.8 | -70.2 | 2.4 | 0 | 0 | 0 | 109.9 | S12 E14 V34 | S12-W65 PolarHBondContact O-N 3.47Å; E14-W65 HydrophobicContact CB-CZ2 4.15Å; E14-W65 VanDerWaalsContact CB-NE1 3.28Å; E14-W65 PolarHBondContact OE2-NE1 2.93Å; V34-W65 HydrophobicContact CG1-CH2 4.17Å; V34-W65 HydrophobicContact CG1-CZ3 4.31Å; V34-W65 HydrophobicContact CG2-CH2 3.56Å; V34-W65 HydrophobicContact CG2-CZ2 3.73Å; V34-W65 HydrophobicContact CG2-CZ3 4.46Å | ||
| 66 | V | 63.7 | Low | 70.5 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | trans | -86.7 | 106.3 | 169 | -93.8 | 0 | 0 | 0 | 0 | 107.8 | L64 | L64-V66 PolarHBondContact O-N 2.89Š| ||
| 67 | N | 56.2 | Low | 67.7 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | trans | 130.5 | 59.3 | 172.7 | -67.8 | 6.6 | 0 | 0 | 0 | 111.2 | E69 | N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.24Å; N67-E69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | Q | 55.8 | Low | 65 | Low | 104 Ų | 104 | 107.2 Ų | 107.2 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | trans | -78.9 | 89.9 | 157.8 | -74.2 | 176.8 | 72 | 0 | 0 | 106.1 | I10 D70 | I10-Q68 PolarHBondContact O-NE2 2.85Å; I10-Q68 PolarHBondContact O-OE1 3.3Å; Q68-D70 PolarHBondContact O-N 3.43Å | ||
| 69 | E | 49.7 | Very low | 62.7 | Low | 150 Ų | 150 | 113.2 Ų | 113.2 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | trans | -65.2 | 117 | 164.9 | -59.3 | 179.6 | -158.8 | 0 | 0 | 105.7 | N67 E71 | N67-E69 VanDerWaalsContact C-N 3.26Å; N67-E69 PolarHBondContact O-N 3.24Å; N67-E69 VanDerWaalsContact O-N 3.14Å; E69-E71 VanDerWaalsContact C-N 3.26Å; E69-E71 PolarHBondContact O-N 3.49Å | ||
| 70 | D | 46.9 | Very low | 60.3 | Low | 150 Ų | 150 | 121.7 Ų | 121.7 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | -59.1 | 96.3 | 164.9 | -70.3 | -52.8 | 0 | 0 | 0 | 106.7 | Q68 V72 | Q68-D70 PolarHBondContact O-N 3.43Å; D70-V72 HydrophobicContact CB-CG2 4.45Å; D70-V72 PolarHBondContact O-N 2.67Å | ||
| 71 | E | 42.7 | Very low | 57.5 | Low | 187 Ų | 187 | 125.6 Ų | 125.6 | 87% | 0.874 | 66% | 0.66 | S | S | * | * | trans | -65.7 | 83.4 | 167.9 | -72.6 | -170.1 | 171.5 | 0 | 0 | 107.9 | E69 E73 | E69-E71 VanDerWaalsContact C-N 3.26Å; E69-E71 PolarHBondContact O-N 3.49Å; E71-E73 PolarHBondContact O-N 3.2Å | ||
| 72 | V | 45.3 | Very low | 54.8 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 75% | 0.745 | 69% | 0.686 | S | S | * | * | trans | -75.6 | 105.9 | 161.4 | -176.7 | 0 | 0 | 0 | 0 | 105.9 | D70 E74 | D70-V72 HydrophobicContact CB-CG2 4.45Å; D70-V72 PolarHBondContact O-N 2.67Å; V72-E74 PolarHBondContact O-N 3.19Å | ||
| 73 | E | 45.4 | Very low | 52 | Low | 190 Ų | 190 | 133.8 Ų | 133.8 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -48.9 | 110.9 | 169.8 | -79.2 | -163.2 | 138.3 | 0 | 0 | 110.4 | E71 G75 | E71-E73 PolarHBondContact O-N 3.2Å; E73-G75 PolarHBondContact O-N 2.96Å | ||
| 74 | E | 42 | Very low | 49.7 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | -82.2 | 107.7 | 160.3 | -83 | -152.1 | 154.6 | 0 | 0 | 109.1 | V72 | V72-E74 PolarHBondContact O-N 3.19Š| ||
| 75 | G | 36.3 | Very low | 47.6 | Very low | 56 Ų | 56 | 138.9 Ų | 138.9 | 58% | 0.577 | 76% | 0.756 | S | S | * | * | trans | -65.5 | 153.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E73 S77 | E73-G75 PolarHBondContact O-N 2.96Å; G75-S77 PolarHBondContact O-N 2.86Å | ||
| 76 | P | 48 | Very low | 45.9 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | trans | -77 | 120.6 | -175.2 | 32.1 | -31.1 | 0 | 0 | 0 | 109.5 | ||||
| 77 | S | 38.1 | Very low | 45.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -125.5 | 145.8 | 165.4 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | G75 | G75-S77 PolarHBondContact O-N 2.86Š| ||
| 78 | D | 41.9 | Very low | 44.9 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 158.3 | -150 | -66.6 | -79.7 | 0 | 0 | 0 | 117.7 | ||||
| 79 | V | 50 | Low | 44.2 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -53.6 | 125.8 | 173.1 | -154.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 80 | Q | 44.3 | Very low | 44 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -139.5 | 142.2 | 155.4 | -70.9 | -168.2 | 11.3 | 0 | 0 | 113.6 | ||||
| 81 | N | 38.7 | Very low | 44.2 | Very low | 167 Ų | 167 | 141 Ų | 141 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -70.7 | 139.2 | -167.5 | -79.6 | -64.1 | 0 | 0 | 0 | 115.8 | ||||
| 82 | G | 41.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 41.3 | 117.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 83 | H | 37.6 | Very low | 44.4 | Very low | 169 Ų | 169 | 138 Ų | 138 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | -162.4 | 123.9 | 125.5 | -166.6 | 66.4 | 0 | 0 | 0 | 108.9 | |||||
| 84 | L | 43.4 | Very low | 44.5 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -93.2 | 112.9 | 175.1 | -74.6 | 166.8 | 0 | 0 | 0 | 108.8 | ||||
| 85 | D | 47.1 | Very low | 45 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | trans | -89.8 | 124.9 | 168.9 | -133.1 | -44.7 | 0 | 0 | 0 | 109 | N87 | D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 2.87Å | ||
| 86 | P | 50.6 | Low | 45.7 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 9.6 | -170.8 | -2.1 | 19.4 | 0 | 0 | 0 | 115.1 | ||
| 87 | N | 48.5 | Very low | 45.8 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 33.4 | -169.5 | -152.7 | 33 | 0 | 0 | 0 | 115.4 | D85 | D85-N87 VanDerWaalsContact C-N 3.29Å; D85-N87 PolarHBondContact O-N 2.87Å |
| 88 | S | 49 | Very low | 46.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -111.4 | 107 | 163.2 | -160.1 | 0 | 0 | 0 | 0 | 107.8 | C90 | S88-C90 PolarHBondContact O-N 2.9Š|
| 89 | D | 42.1 | Very low | 48 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | trans | -48.2 | 108.7 | 175 | -73.4 | -48.7 | 0 | 0 | 0 | 109.5 | L91 | D89-L91 PolarHBondContact O-N 3.28Š| ||
| 90 | C | 44.1 | Very low | 49.6 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 55% | 0.554 | 72% | 0.716 | S | S | * | * | trans | -68.3 | 96.9 | -171.5 | -177 | 0 | 0 | 0 | 0 | 110.1 | S88 C92 | S88-C90 PolarHBondContact O-N 2.9Å; C90-C92 VanDerWaalsContact C-N 3.29Å; C90-C92 PolarHBondContact O-N 2.98Å; C90-C92 VanDerWaalsContact SG-SG 3.67Å | ||
| 91 | L | 51.8 | Low | 51.7 | Low | 162 Ų | 162 | 126.2 Ų | 126.2 | 85% | 0.848 | 70% | 0.696 | S | S | * | * | trans | -88.6 | 20.5 | 174.3 | -70.8 | 179.6 | 0 | 0 | 0 | 114 | D89 | D89-L91 PolarHBondContact O-N 3.28Š| ||
| 92 | C | 45.1 | Very low | 53.9 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -115.2 | 1.4 | -170.9 | 21 | 0 | 0 | 0 | 0 | 116.1 | C90 | C90-C92 VanDerWaalsContact C-N 3.29Å; C90-C92 PolarHBondContact O-N 2.98Å; C90-C92 VanDerWaalsContact SG-SG 3.67Å |
| 93 | L | 46.9 | Very low | 55.9 | Low | 144 Ų | 144 | 123.9 Ų | 123.9 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -97.8 | -1.1 | 178.8 | -94.7 | 143.1 | 0 | 0 | 0 | 115.5 | ||
| 94 | G | 48.8 | Very low | 58.4 | Low | 39 Ų | 39 | 123 Ų | 123 | 40% | 0.402 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -99.9 | -16.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 95 | R | 50.6 | Low | 60.6 | Low | 197 Ų | 197 | 116.6 Ų | 116.6 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -36.1 | -163.9 | -95.5 | 179 | 167.4 | -171.4 | -4.2 | 116.8 | L97 | R95-L97 PolarHBondContact O-N 2.87Å |
| 96 | P | 51.7 | Low | 62.4 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70.6 | -32.9 | -179.2 | -17.9 | 30.5 | 0 | 0 | 0 | 113 | ||
| 97 | L | 50.4 | Low | 64.2 | Low | 117 Ų | 117 | 112.5 Ų | 112.5 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.3 | -41.5 | -176.1 | -75.4 | 161.4 | 0 | 0 | 0 | 112.4 | R95 N99 R100 D101 | R95-L97 PolarHBondContact O-N 2.87Å; L97-N99 VanDerWaalsContact C-N 3.27Å; L97-N99 PolarHBondContact O-N 2.89Å; L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.11Å; L97-D101 PolarHBondContact O-N 3.27Å |
| 98 | Q | 57.7 | Low | 66.4 | Low | 135 Ų | 135 | 110.2 Ų | 110.2 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.2 | -36.5 | 176.5 | -86.8 | 174.4 | -17.8 | 0 | 0 | 112.5 | R100 D101 Q102 | Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 2.9Å; Q98-D101 PolarHBondContact O-N 2.8Å; Q98-Q102 VanDerWaalsContact O-CB 3.3Å; Q98-Q102 WeakPolarHBondContact O-CB 3.3Å; Q98-Q102 PolarHBondContact O-N 3.11Å |
| 99 | N | 68.9 | Low | 68.3 | Low | 102 Ų | 102 | 110.2 Ų | 110.2 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -40.2 | 175.8 | -73.8 | -16.2 | 0 | 0 | 0 | 111.8 | L97 M103 | L97-N99 VanDerWaalsContact C-N 3.27Å; L97-N99 PolarHBondContact O-N 2.89Å; N99-M103 WeakPolarHBondContact O-CB 3.4Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.12Å; N99-M103 PolarHBondContact O-N 3.14Å |
| 100 | R | 82.9 | Confident | 70.8 | Confident | 159 Ų | 159 | 108.9 Ų | 108.9 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.1 | -39.1 | 178.8 | -63.9 | -174.3 | 75.6 | 160.1 | 6.7 | 112.5 | L97 Q98 Q102 M103 R104 | L97-R100 PolarHBondContact O-N 3.06Å; L97-R100 VanDerWaalsContact O-N 3.11Å; Q98-R100 VanDerWaalsContact C-N 3.35Å; Q98-R100 PolarHBondContact O-N 2.9Å; R100-Q102 VanDerWaalsContact C-N 3.35Å; R100-M103 PolarHBondContact O-N 3.06Å; R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 VanDerWaalsContact O-CG 3.24Å; R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.85Å |
| 101 | D | 87.8 | Confident | 73.2 | Confident | 85 Ų | 85 | 109.2 Ų | 109.2 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70 | -35.3 | 177.1 | -69.9 | -29.5 | 0 | 0 | 0 | 111.6 | L97 Q98 R104 A105 | L97-D101 PolarHBondContact O-N 3.27Å; Q98-D101 PolarHBondContact O-N 2.8Å; D101-R104 PolarHBondContact O-N 2.92Å; D101-R104 IonicContact OD1-NH1 2.79Å; D101-R104 PolarHBondContact OD1-NH1 3.25Å; D101-A105 WeakPolarHBondContact O-CB 3.44Å; D101-A105 PolarHBondContact O-N 3.28Å |
| 102 | Q | 85.6 | Confident | 75.3 | Confident | 108 Ų | 108 | 106.3 Ų | 106.3 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 171.7 | -172.1 | 59.9 | 61.9 | 0 | 0 | 111.8 | Q98 R100 R104 A105 N106 | Q98-Q102 VanDerWaalsContact O-CB 3.3Å; Q98-Q102 WeakPolarHBondContact O-CB 3.3Å; Q98-Q102 PolarHBondContact O-N 3.11Å; R100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-R104 PolarHBondContact O-N 2.93Å; Q102-A105 PolarHBondContact O-N 2.97Å; Q102-N106 PolarHBondContact NE2-OD1 2.93Å; Q102-N106 PolarHBondContact O-N 2.85Å; Q102-N106 PolarHBondContact O-OD1 2.88Å |
| 103 | M | 83 | Confident | 77.6 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 44% | 0.443 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 173.7 | -76 | 166 | 177.6 | 0 | 0 | 111.4 | N99 R100 A105 N106 V107 | N99-M103 WeakPolarHBondContact O-CB 3.4Å; N99-M103 VanDerWaalsContact O-CG 3.25Å; N99-M103 WeakPolarHBondContact O-CG 3.12Å; N99-M103 PolarHBondContact O-N 3.14Å; R100-M103 PolarHBondContact O-N 3.06Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-A105 PolarHBondContact O-N 3.37Å; M103-N106 WeakPolarHBondContact O-CB 3.33Å; M103-N106 PolarHBondContact O-N 3.22Å; M103-V107 WeakPolarHBondContact O-CG2 3.49Å; M103-V107 PolarHBondContact O-N 3.4Å |
| 104 | R | 90.4 | Very high | 79.8 | Confident | 149 Ų | 149 | 99.8 Ų | 99.8 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.6 | -46.2 | 174.5 | -74.9 | 166.9 | 173.6 | 175.5 | -5.6 | 111.3 | R100 D101 Q102 N106 V107 I108 | R100-R104 WeakPolarHBondContact O-CB 3.48Å; R100-R104 VanDerWaalsContact O-CG 3.24Å; R100-R104 WeakPolarHBondContact O-CG 3.41Å; R100-R104 PolarHBondContact O-N 2.85Å; D101-R104 PolarHBondContact O-N 2.92Å; D101-R104 IonicContact OD1-NH1 2.79Å; D101-R104 PolarHBondContact OD1-NH1 3.25Å; Q102-R104 PolarHBondContact O-N 2.93Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 3.46Å; R104-V107 PolarHBondContact O-N 3.25Å; R104-I108 WeakPolarHBondContact O-CB 3.22Å; R104-I108 WeakPolarHBondContact O-CD1 3.36Å; R104-I108 WeakPolarHBondContact O-CG1 3.31Å; R104-I108 PolarHBondContact O-N 2.89Å |
| 105 | A | 89.1 | Confident | 82.1 | Confident | 34 Ų | 34 | 102.6 Ų | 102.6 | 28% | 0.281 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | D101 Q102 M103 I108 N109 | D101-A105 WeakPolarHBondContact O-CB 3.44Å; D101-A105 PolarHBondContact O-N 3.28Å; Q102-A105 PolarHBondContact O-N 2.97Å; M103-A105 VanDerWaalsContact C-N 3.32Å; M103-A105 PolarHBondContact O-N 3.37Å; A105-I108 PolarHBondContact O-N 2.91Å; A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.35Å; A105-N109 PolarHBondContact O-N 3.04Å; A105-N109 PolarHBondContact O-ND2 2.94Å |
| 106 | N | 85.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -49.1 | 177.5 | -66.6 | -9.5 | 0 | 0 | 0 | 111.3 | Q102 M103 R104 I108 N109 E110 | Q102-N106 PolarHBondContact NE2-OD1 2.93Å; Q102-N106 PolarHBondContact O-N 2.85Å; Q102-N106 PolarHBondContact O-OD1 2.88Å; M103-N106 WeakPolarHBondContact O-CB 3.33Å; M103-N106 PolarHBondContact O-N 3.22Å; R104-N106 VanDerWaalsContact C-N 3.31Å; R104-N106 PolarHBondContact O-N 3.46Å; N106-I108 PolarHBondContact O-N 3.26Å; N106-N109 PolarHBondContact O-N 3.46Å; N106-E110 PolarHBondContact O-N 3.4Å |
| 107 | V | 88.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 100.8 Ų | 100.8 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | M103 R104 N109 E110 I111 | M103-V107 WeakPolarHBondContact O-CG2 3.49Å; M103-V107 PolarHBondContact O-N 3.4Å; R104-V107 PolarHBondContact O-N 3.25Å; V107-N109 VanDerWaalsContact C-N 3.33Å; V107-N109 PolarHBondContact O-N 3.48Å; V107-E110 PolarHBondContact O-N 2.88Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.47Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 2.8Å |
| 108 | I | 93.9 | Very high | 88.3 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.5 | -69.5 | 165.1 | 0 | 0 | 0 | 110.8 | R104 A105 N106 E110 I111 M112 | R104-I108 WeakPolarHBondContact O-CB 3.22Å; R104-I108 WeakPolarHBondContact O-CD1 3.36Å; R104-I108 WeakPolarHBondContact O-CG1 3.31Å; R104-I108 PolarHBondContact O-N 2.89Å; A105-I108 PolarHBondContact O-N 2.91Å; N106-I108 PolarHBondContact O-N 3.26Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 2.86Å; I108-I111 PolarHBondContact O-N 2.89Å; I108-M112 HydrophobicContact CG2-CG 4.19Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.22Å; I108-M112 WeakPolarHBondContact O-CG 3.11Å; I108-M112 PolarHBondContact O-N 2.8Å |
| 109 | N | 90.8 | Very high | 90.2 | Very high | 102 Ų | 102 | 99.3 Ų | 99.3 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | -179.9 | -78 | -35.3 | 0 | 0 | 0 | 112.1 | A105 N106 V107 S113 | A105-N109 VanDerWaalsContact O-CB 3.31Å; A105-N109 WeakPolarHBondContact O-CB 3.35Å; A105-N109 PolarHBondContact O-N 3.04Å; A105-N109 PolarHBondContact O-ND2 2.94Å; N106-N109 PolarHBondContact O-N 3.46Å; V107-N109 VanDerWaalsContact C-N 3.33Å; V107-N109 PolarHBondContact O-N 3.48Å; N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.22Å |
| 110 | E | 92.8 | Very high | 91.4 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -49.9 | 175.5 | -165.6 | -161.1 | 141.5 | 0 | 0 | 111.1 | N106 V107 I108 M112 S113 T114 | N106-E110 PolarHBondContact O-N 3.4Å; V107-E110 PolarHBondContact O-N 2.88Å; I108-E110 VanDerWaalsContact C-N 3.32Å; I108-E110 PolarHBondContact O-N 2.86Å; E110-M112 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-T114 HydrophobicContact CG-CG2 4.5Å; E110-T114 WeakPolarHBondContact O-CB 3.37Å; E110-T114 WeakPolarHBondContact O-CG2 3.43Å; E110-T114 PolarHBondContact O-N 2.71Å; E110-T114 PolarHBondContact O-OG1 2.84Å |
| 111 | I | 95.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 98.1 Ų | 98.1 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -51.7 | 177.6 | -67.2 | 167.6 | 0 | 0 | 0 | 110.3 | V107 I108 S113 T114 E115 | V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.47Å; V107-I111 WeakPolarHBondContact O-CG1 3.28Å; V107-I111 PolarHBondContact O-N 2.8Å; I108-I111 PolarHBondContact O-N 2.89Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.88Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.03Å; I111-T114 PolarHBondContact O-OG1 3.18Å; I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.14Å; I111-E115 PolarHBondContact O-N 3.32Å |
| 112 | M | 95.7 | Very high | 92 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 50% | 0.502 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | -178.5 | -68.7 | -61.9 | -67.7 | 0 | 0 | 112 | I108 E110 R116 | I108-M112 HydrophobicContact CG2-CG 4.19Å; I108-M112 WeakPolarHBondContact O-CB 3.38Å; I108-M112 VanDerWaalsContact O-CG 3.22Å; I108-M112 WeakPolarHBondContact O-CG 3.11Å; I108-M112 PolarHBondContact O-N 2.8Å; E110-M112 PolarHBondContact O-N 3.27Å; M112-R116 VanDerWaalsContact O-CG 3.3Å; M112-R116 WeakPolarHBondContact O-CG 3.34Å; M112-R116 PolarHBondContact O-N 3.16Å; M112-R116 PolarHBondContact O-NH1 3.43Å; M112-R116 VanDerWaalsContact O-NH1 3.16Å |
| 113 | S | 93.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 98.9 Ų | 98.9 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -48.4 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | N109 E110 I111 R116 H117 | N109-S113 WeakPolarHBondContact O-CB 3.37Å; N109-S113 PolarHBondContact O-N 3.22Å; E110-S113 PolarHBondContact O-N 3.27Å; I111-S113 VanDerWaalsContact C-N 3.25Å; I111-S113 PolarHBondContact O-N 2.88Å; S113-R116 PolarHBondContact O-N 2.88Å; S113-H117 PolarHBondContact O-N 3.29Å; S113-H117 PolarHBondContact O-ND1 3.3Å |
| 114 | T | 92.5 | Very high | 92.6 | Very high | 71 Ų | 71 | 97 Ų | 97 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | -179 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | E110 I111 R116 H117 Y118 | E110-T114 HydrophobicContact CG-CG2 4.5Å; E110-T114 WeakPolarHBondContact O-CB 3.37Å; E110-T114 WeakPolarHBondContact O-CG2 3.43Å; E110-T114 PolarHBondContact O-N 2.71Å; E110-T114 PolarHBondContact O-OG1 2.84Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.03Å; I111-T114 PolarHBondContact O-OG1 3.18Å; T114-R116 PolarHBondContact O-N 3.45Å; T114-H117 PolarHBondContact O-N 3.44Å; T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 2.93Å |
| 115 | E | 97.6 | Very high | 92.6 | Very high | 98 Ų | 98 | 94.7 Ų | 94.7 | 46% | 0.458 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -43 | 174.3 | -74.3 | -59.9 | 141.4 | 0 | 0 | 112.7 | I111 H117 Y118 I119 | I111-E115 HydrophobicContact CG2-CG 4.38Å; I111-E115 WeakPolarHBondContact O-CB 3.39Å; I111-E115 WeakPolarHBondContact O-CG 3.14Å; I111-E115 PolarHBondContact O-N 3.32Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 2.75Å; E115-Y118 PolarHBondContact O-N 3.06Å; E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.89Å |
| 116 | R | 97 | Very high | 92.3 | Very high | 146 Ų | 146 | 97.5 Ų | 97.5 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 175.2 | -75.7 | -172.6 | -57 | -92.5 | 4.2 | 112.1 | M112 S113 T114 K120 | M112-R116 VanDerWaalsContact O-CG 3.3Å; M112-R116 WeakPolarHBondContact O-CG 3.34Å; M112-R116 PolarHBondContact O-N 3.16Å; M112-R116 PolarHBondContact O-NH1 3.43Å; M112-R116 VanDerWaalsContact O-NH1 3.16Å; S113-R116 PolarHBondContact O-N 2.88Å; T114-R116 PolarHBondContact O-N 3.45Å; R116-K120 PolarHBondContact O-N 3.09Å; R116-K120 VanDerWaalsContact O-N 3.16Å |
| 117 | H | 92.9 | Very high | 92.4 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 176.8 | -73.7 | 88.8 | 0 | 0 | 0 | 110.9 | S113 T114 E115 K120 H121 | S113-H117 PolarHBondContact O-N 3.29Å; S113-H117 PolarHBondContact O-ND1 3.3Å; T114-H117 PolarHBondContact O-N 3.44Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 2.75Å; H117-K120 WeakPolarHBondContact O-CB 3.3Å; H117-K120 PolarHBondContact O-N 2.98Å; H117-H121 PolarHBondContact O-CD2 3.16Å; H117-H121 PolarHBondContact O-N 3.29Å |
| 118 | Y | 93.3 | Very high | 91.8 | Very high | 134 Ų | 134 | 103.2 Ų | 103.2 | 53% | 0.525 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.1 | -49.5 | 177.7 | -179.7 | -109.6 | 0 | 0 | 0 | 112.2 | T114 E115 K120 H121 L122 | T114-Y118 WeakPolarHBondContact O-CB 3.46Å; T114-Y118 PolarHBondContact O-N 2.93Å; E115-Y118 PolarHBondContact O-N 3.06Å; Y118-K120 VanDerWaalsContact C-N 3.27Å; Y118-K120 PolarHBondContact O-N 3.37Å; Y118-H121 WeakPolarHBondContact O-CB 3.41Å; Y118-H121 PolarHBondContact O-N 3.02Å; Y118-H121 VanDerWaalsContact O-N 3.09Å; Y118-L122 HydrophobicContact CD1-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CG 4.45Å; Y118-L122 HydrophobicContact CE1-CD1 3.47Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 HydrophobicContact CE2-CD2 4.3Å; Y118-L122 HydrophobicContact CE2-CG 4.38Å; Y118-L122 PolarHBondContact O-N 3.05Å |
| 119 | I | 96.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 103.2 Ų | 103.2 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.8 | -68.2 | 166.5 | 0 | 0 | 0 | 111.4 | E115 L122 K123 | E115-I119 WeakPolarHBondContact O-CG1 3.32Å; E115-I119 PolarHBondContact O-N 2.89Å; I119-L122 PolarHBondContact O-N 3.11Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.35Å |
| 120 | K | 93.8 | Very high | 88.9 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 175.6 | -176.6 | -174.7 | 174.9 | -173.5 | 0 | 111.1 | R116 H117 Y118 L122 K123 D124 | R116-K120 PolarHBondContact O-N 3.09Å; R116-K120 VanDerWaalsContact O-N 3.16Å; H117-K120 WeakPolarHBondContact O-CB 3.3Å; H117-K120 PolarHBondContact O-N 2.98Å; Y118-K120 VanDerWaalsContact C-N 3.27Å; Y118-K120 PolarHBondContact O-N 3.37Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 3.03Å; K120-K123 PolarHBondContact O-N 2.98Å; K120-K123 VanDerWaalsContact O-N 3.15Å; K120-D124 PolarHBondContact O-N 3.3Å |
| 121 | H | 91.3 | Very high | 87.2 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 176.7 | -72.9 | -63.5 | 0 | 0 | 0 | 112.1 | H117 Y118 K123 D124 I125 | H117-H121 PolarHBondContact O-CD2 3.16Å; H117-H121 PolarHBondContact O-N 3.29Å; Y118-H121 WeakPolarHBondContact O-CB 3.41Å; Y118-H121 PolarHBondContact O-N 3.02Å; Y118-H121 VanDerWaalsContact O-N 3.09Å; H121-K123 PolarHBondContact O-N 3.21Å; H121-D124 PolarHBondContact O-N 3.44Å; H121-I125 WeakPolarHBondContact O-CD1 3.34Å; H121-I125 VanDerWaalsContact O-CG1 3.24Å; H121-I125 WeakPolarHBondContact O-CG1 3.36Å; H121-I125 PolarHBondContact O-N 2.99Å |
| 122 | L | 92.8 | Very high | 85.3 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 42% | 0.419 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 175.9 | -67.5 | -177.6 | 0 | 0 | 0 | 112.7 | Y118 I119 K120 I125 C126 | Y118-L122 HydrophobicContact CD1-CD1 4.03Å; Y118-L122 HydrophobicContact CD1-CG 4.45Å; Y118-L122 HydrophobicContact CE1-CD1 3.47Å; Y118-L122 VanDerWaalsContact CE1-CD1 3.47Å; Y118-L122 HydrophobicContact CE1-CG 4.07Å; Y118-L122 HydrophobicContact CE2-CD2 4.3Å; Y118-L122 HydrophobicContact CE2-CG 4.38Å; Y118-L122 PolarHBondContact O-N 3.05Å; I119-L122 PolarHBondContact O-N 3.11Å; K120-L122 VanDerWaalsContact C-N 3.29Å; K120-L122 PolarHBondContact O-N 3.03Å; L122-I125 PolarHBondContact O-N 3.31Å; L122-C126 PolarHBondContact O-N 3.47Å |
| 123 | K | 90.1 | Very high | 83.3 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -48 | 175.9 | -73 | -178.9 | 177.5 | -175.5 | 0 | 111.6 | I119 K120 H121 I125 C126 E127 | I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.35Å; K120-K123 PolarHBondContact O-N 2.98Å; K120-K123 VanDerWaalsContact O-N 3.15Å; H121-K123 PolarHBondContact O-N 3.21Å; K123-I125 VanDerWaalsContact C-N 3.25Å; K123-I125 PolarHBondContact O-N 3.43Å; K123-C126 WeakPolarHBondContact O-CB 3.24Å; K123-C126 PolarHBondContact O-N 3.15Å; K123-C126 VanDerWaalsContact O-N 3.11Å; K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å |
| 124 | D | 91.4 | Very high | 81.5 | Confident | 52 Ų | 52 | 106.2 Ų | 106.2 | 28% | 0.278 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 179.1 | -69 | 0.6 | 0 | 0 | 0 | 111.6 | K120 H121 K128 | K120-D124 PolarHBondContact O-N 3.3Å; H121-D124 PolarHBondContact O-N 3.44Å; D124-K128 WeakPolarHBondContact O-CB 3.5Å; D124-K128 WeakPolarHBondContact O-CD 3.38Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.85Å; D124-K128 VanDerWaalsContact O-N 3.13Å |
| 125 | I | 89.7 | Confident | 79.5 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -47.6 | 175 | -69.7 | 163.9 | 0 | 0 | 0 | 110.5 | H121 L122 K123 E127 K128 V129 | H121-I125 WeakPolarHBondContact O-CD1 3.34Å; H121-I125 VanDerWaalsContact O-CG1 3.24Å; H121-I125 WeakPolarHBondContact O-CG1 3.36Å; H121-I125 PolarHBondContact O-N 2.99Å; L122-I125 PolarHBondContact O-N 3.31Å; K123-I125 VanDerWaalsContact C-N 3.25Å; K123-I125 PolarHBondContact O-N 3.43Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.38Å; I125-K128 PolarHBondContact O-N 2.95Å; I125-V129 HydrophobicContact CG2-CG2 4.05Å; I125-V129 WeakPolarHBondContact O-CB 3.46Å; I125-V129 WeakPolarHBondContact O-CG2 3.24Å; I125-V129 PolarHBondContact O-N 3.5Å |
| 126 | C | 84.1 | Confident | 77.1 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.6 | -42.6 | 179.9 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | L122 K123 G130 | L122-C126 PolarHBondContact O-N 3.47Å; K123-C126 WeakPolarHBondContact O-CB 3.24Å; K123-C126 PolarHBondContact O-N 3.15Å; K123-C126 VanDerWaalsContact O-N 3.11Å; C126-G130 WeakPolarHBondContact O-CA 3.4Å; C126-G130 PolarHBondContact O-N 2.94Å |
| 127 | E | 86.4 | Confident | 76.2 | Confident | 143 Ų | 143 | 115.3 Ų | 115.3 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -38.1 | 178.7 | -72 | 174.3 | -171.5 | 0 | 0 | 112.5 | K123 I125 G131 | K123-E127 WeakPolarHBondContact O-CG 3.47Å; K123-E127 PolarHBondContact O-N 2.92Å; I125-E127 VanDerWaalsContact C-N 3.33Å; I125-E127 PolarHBondContact O-N 3.38Å; E127-G131 PolarHBondContact O-N 3.13Å |
| 128 | K | 75.6 | Confident | 75.3 | Confident | 144 Ų | 144 | 115.8 Ų | 115.8 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.9 | -44.2 | -178.5 | -70.3 | 171.6 | -175.4 | 165.6 | 0 | 113.1 | D124 I125 | D124-K128 WeakPolarHBondContact O-CB 3.5Å; D124-K128 WeakPolarHBondContact O-CD 3.38Å; D124-K128 VanDerWaalsContact O-CG 3.24Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.85Å; D124-K128 VanDerWaalsContact O-N 3.13Å; I125-K128 PolarHBondContact O-N 2.95Å |
| 129 | V | 65.9 | Low | 74.3 | Confident | 99 Ų | 99 | 114.8 Ų | 114.8 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -77.4 | -31.7 | -179.1 | -179.8 | 0 | 0 | 0 | 0 | 111.4 | I125 G131 | I125-V129 HydrophobicContact CG2-CG2 4.05Å; I125-V129 WeakPolarHBondContact O-CB 3.46Å; I125-V129 WeakPolarHBondContact O-CG2 3.24Å; I125-V129 PolarHBondContact O-N 3.5Å; V129-G131 VanDerWaalsContact C-N 3.32Å |
| 130 | G | 58.2 | Low | 73 | Confident | 42 Ų | 42 | 116.5 Ų | 116.5 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.9 | -21 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C126 | C126-G130 WeakPolarHBondContact O-CA 3.4Å; C126-G130 PolarHBondContact O-N 2.94Å |
| 131 | G | 56.5 | Low | 71.6 | Confident | 37 Ų | 37 | 116.1 Ų | 116.1 | 38% | 0.381 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -78.5 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E127 V129 | E127-G131 PolarHBondContact O-N 3.13Å; V129-G131 VanDerWaalsContact C-N 3.32Å |
| 132 | D | 55.8 | Low | 70.3 | Confident | 129 Ų | 129 | 116.3 Ų | 116.3 | 69% | 0.69 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -81.3 | -15.2 | -176 | -74.8 | -16.8 | 0 | 0 | 0 | 113.7 | I134 | D132-I134 VanDerWaalsContact C-N 3.29Å; D132-I134 PolarHBondContact O-N 3.43Å |
| 133 | M | 54.3 | Low | 68.7 | Low | 169 Ų | 169 | 118.9 Ų | 118.9 | 83% | 0.833 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 3.5 | 178.3 | -154.3 | 166.3 | 69.1 | 0 | 0 | 113.9 | ||
| 134 | I | 54.9 | Low | 67.1 | Low | 139 Ų | 139 | 118.2 Ų | 118.2 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 6.2 | 178.7 | -37 | 179.4 | 0 | 0 | 0 | 111.8 | D132 | D132-I134 VanDerWaalsContact C-N 3.29Å; D132-I134 PolarHBondContact O-N 3.43Å |
| 135 | L | 51.8 | Low | 65.1 | Low | 152 Ų | 152 | 123.7 Ų | 123.7 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -128.5 | 43.6 | 178.1 | -68.1 | 177 | 0 | 0 | 0 | 113.4 | ||||
| 136 | L | 47.8 | Very low | 62.8 | Low | 238 Ų | 238 | 125.8 Ų | 125.8 | 100% | 1.246 | 69% | 0.692 | S | S | * | * | trans | -133.2 | 0 | 160.6 | -82.4 | 169.8 | 0 | 0 | 0 | 110.5 |
Retrieved 136 of 136 residues in 100.7 ms
(Link to these results)