| 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 | I | 48.7 | Very low | 63.1 | Low | 175 Ų | 175 | 99.8 Ų | 99.8 | 90% | 0.897 | 54% | 0.536 | S | S | * | . | 0 | -58.1 | 0 | -60.4 | 170 | 0 | 0 | 0 | 109.9 | I3 T4 E5 | I1-I3 PolarHBondContact O-N 3.36Å; I1-T4 PolarHBondContact O-N 3.33Å; I1-E5 HydrophobicContact CG2-CG 4.48Å; I1-E5 VanDerWaalsContact O-CG 3.28Å; I1-E5 WeakPolarHBondContact O-CG 3.4Å; I1-E5 PolarHBondContact O-N 3.31Å; I1-E5 VanDerWaalsContact O-N 3.11Å | |||
| 2 | T | 58.3 | Low | 63.6 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57.7 | -44.4 | 178 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | E5 T6 | T2-E5 PolarHBondContact O-N 3.32Å; T2-T6 WeakPolarHBondContact O-CB 3.39Å; T2-T6 PolarHBondContact O-N 3Å; T2-T6 PolarHBondContact O-OG1 2.98Å |
| 3 | I | 60.8 | Low | 64 | Low | 120 Ų | 120 | 99 Ų | 99 | 62% | 0.615 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | -177.7 | -58.8 | 173.5 | 0 | 0 | 0 | 111.3 | I1 E5 T6 V7 | I1-I3 PolarHBondContact O-N 3.36Å; I3-E5 PolarHBondContact O-N 3.16Å; I3-T6 PolarHBondContact O-N 3.46Å; I3-V7 HydrophobicContact CG2-CG2 4.39Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.43Å |
| 4 | T | 62.7 | Low | 63.7 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.9 | -40.5 | 0 | 0 | 0 | 0 | 111.3 | I1 V7 L8 | I1-T4 PolarHBondContact O-N 3.33Å; T4-V7 PolarHBondContact O-N 3.41Å; T4-L8 HydrophobicContact CG2-CD1 4.14Å; T4-L8 VanDerWaalsContact O-CB 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.24Å; T4-L8 PolarHBondContact O-N 3.15Å |
| 5 | E | 63.4 | Low | 63.5 | Low | 120 Ų | 120 | 95.1 Ų | 95.1 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -38 | 175.7 | -69 | -64.6 | 123.5 | 0 | 0 | 112 | I1 T2 I3 F9 | I1-E5 HydrophobicContact CG2-CG 4.48Å; I1-E5 VanDerWaalsContact O-CG 3.28Å; I1-E5 WeakPolarHBondContact O-CG 3.4Å; I1-E5 PolarHBondContact O-N 3.31Å; I1-E5 VanDerWaalsContact O-N 3.11Å; T2-E5 PolarHBondContact O-N 3.32Å; I3-E5 PolarHBondContact O-N 3.16Å; E5-F9 WeakPolarHBondContact O-CB 3.44Å; E5-F9 PolarHBondContact O-N 3.4Å |
| 6 | T | 64.2 | Low | 63.2 | Low | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 178.5 | -43.6 | 0 | 0 | 0 | 0 | 111.1 | T2 I3 F9 L10 | T2-T6 WeakPolarHBondContact O-CB 3.39Å; T2-T6 PolarHBondContact O-N 3Å; T2-T6 PolarHBondContact O-OG1 2.98Å; I3-T6 PolarHBondContact O-N 3.46Å; T6-F9 PolarHBondContact O-N 3.19Å; T6-L10 HydrophobicContact CG2-CD1 4.5Å; T6-L10 WeakPolarHBondContact O-CB 2.89Å; T6-L10 PolarHBondContact O-N 3.25Å |
| 7 | V | 66.5 | Low | 63.2 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | I3 T4 F9 L10 V11 | I3-V7 HydrophobicContact CG2-CG2 4.39Å; I3-V7 WeakPolarHBondContact O-CB 3.36Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.18Å; I3-V7 PolarHBondContact O-N 3.43Å; T4-V7 PolarHBondContact O-N 3.41Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.08Å; V7-L10 PolarHBondContact O-N 2.9Å; V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.31Å; V7-V11 PolarHBondContact O-N 3.27Å |
| 8 | L | 68.4 | Low | 62.8 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 40% | 0.398 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 172.8 | -94.8 | 153 | 0 | 0 | 0 | 111.3 | T4 V11 Q12 | T4-L8 HydrophobicContact CG2-CD1 4.14Å; T4-L8 VanDerWaalsContact O-CB 3.28Å; T4-L8 WeakPolarHBondContact O-CB 3.24Å; T4-L8 PolarHBondContact O-N 3.15Å; L8-V11 PolarHBondContact O-N 3.23Å; L8-Q12 WeakPolarHBondContact O-CB 3.25Å; L8-Q12 WeakPolarHBondContact O-CG 3.05Å; L8-Q12 PolarHBondContact O-N 2.89Å |
| 9 | F | 71 | Confident | 62.3 | Low | 140 Ų | 140 | 98.5 Ų | 98.5 | 61% | 0.614 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | 177.5 | -168.7 | -93.8 | 0 | 0 | 0 | 111.5 | E5 T6 V7 Y13 | E5-F9 WeakPolarHBondContact O-CB 3.44Å; E5-F9 PolarHBondContact O-N 3.4Å; T6-F9 PolarHBondContact O-N 3.19Å; V7-F9 VanDerWaalsContact C-N 3.3Å; V7-F9 PolarHBondContact O-N 3.08Å; F9-Y13 WeakPolarHBondContact O-CA 3.44Å; F9-Y13 WeakPolarHBondContact O-CB 3.14Å; F9-Y13 PolarHBondContact O-N 2.89Å |
| 10 | L | 63.3 | Low | 61.9 | Low | 43 Ų | 43 | 102.8 Ų | 102.8 | 23% | 0.225 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -64.6 | -43.4 | 174 | -88.5 | 159.2 | 0 | 0 | 0 | 112 | T6 V7 Y13 T14 F151 L154 | T6-L10 HydrophobicContact CG2-CD1 4.5Å; T6-L10 WeakPolarHBondContact O-CB 2.89Å; T6-L10 PolarHBondContact O-N 3.25Å; V7-L10 PolarHBondContact O-N 2.9Å; L10-Y13 PolarHBondContact O-N 2.7Å; L10-T14 WeakPolarHBondContact O-CB 3.02Å; L10-T14 WeakPolarHBondContact O-CG2 3.48Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 3.36Å; L10-F151 HydrophobicContact CD1-CE1 4.49Å; L10-F151 HydrophobicContact CD2-CE1 3.96Å; L10-F151 HydrophobicContact CD2-CZ 3.79Å; L10-L154 HydrophobicContact CD1-CD1 4.5Å |
| 11 | V | 66.4 | Low | 61.5 | Low | 78 Ų | 78 | 100.9 Ų | 100.9 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -45.1 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | V7 L8 Y13 T14 S15 | V7-V11 HydrophobicContact CG1-CG2 4.28Å; V7-V11 WeakPolarHBondContact O-CB 3.39Å; V7-V11 WeakPolarHBondContact O-CG2 3.31Å; V7-V11 PolarHBondContact O-N 3.27Å; L8-V11 PolarHBondContact O-N 3.23Å; V11-Y13 VanDerWaalsContact C-N 3.34Å; V11-Y13 PolarHBondContact O-N 3.46Å; V11-T14 WeakPolarHBondContact CA-OG1 3.13Å; V11-T14 PolarHBondContact O-N 3.11Å; V11-T14 PolarHBondContact O-OG1 2.93Å; V11-S15 WeakPolarHBondContact O-CB 3Å; V11-S15 PolarHBondContact O-N 3.34Å; V11-S15 PolarHBondContact O-OG 2.8Å |
| 12 | Q | 69.7 | Low | 61.7 | Low | 112 Ų | 112 | 99.2 Ų | 99.2 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -34.7 | 176.4 | -73.3 | 175.8 | -9.1 | 0 | 0 | 112 | L8 K16 | L8-Q12 WeakPolarHBondContact O-CB 3.25Å; L8-Q12 WeakPolarHBondContact O-CG 3.05Å; L8-Q12 PolarHBondContact O-N 2.89Å; Q12-K16 WeakPolarHBondContact O-CB 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 3.03Å |
| 13 | Y | 69 | Low | 61.2 | Low | 77 Ų | 77 | 102 Ų | 102 | 30% | 0.302 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -47.8 | 175.3 | -178.9 | -94 | 0 | 0 | 0 | 110.9 | F9 L10 V11 K16 E17 M147 | F9-Y13 WeakPolarHBondContact O-CA 3.44Å; F9-Y13 WeakPolarHBondContact O-CB 3.14Å; F9-Y13 PolarHBondContact O-N 2.89Å; L10-Y13 PolarHBondContact O-N 2.7Å; V11-Y13 VanDerWaalsContact C-N 3.34Å; V11-Y13 PolarHBondContact O-N 3.46Å; Y13-K16 PolarHBondContact O-N 2.88Å; Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.4Å; Y13-E17 PolarHBondContact O-N 3.19Å; Y13-M147 HydrophobicContact CE1-CE 4.12Å; Y13-M147 HydrophobicContact CE1-SD 4.22Å |
| 14 | T | 58.8 | Low | 60.7 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 45% | 0.448 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 176.5 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | L10 V11 E17 F18 | L10-T14 WeakPolarHBondContact O-CB 3.02Å; L10-T14 WeakPolarHBondContact O-CG2 3.48Å; L10-T14 PolarHBondContact O-N 3.27Å; L10-T14 PolarHBondContact O-OG1 3.36Å; V11-T14 WeakPolarHBondContact CA-OG1 3.13Å; V11-T14 PolarHBondContact O-N 3.11Å; V11-T14 PolarHBondContact O-OG1 2.93Å; T14-E17 PolarHBondContact O-N 3.4Å; T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 2.88Å |
| 15 | S | 61.5 | Low | 59.9 | Low | 67 Ų | 67 | 104.6 Ų | 104.6 | 47% | 0.469 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 172.5 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | V11 F18 D19 | V11-S15 WeakPolarHBondContact O-CB 3Å; V11-S15 PolarHBondContact O-N 3.34Å; V11-S15 PolarHBondContact O-OG 2.8Å; S15-F18 WeakPolarHBondContact O-CB 2.95Å; S15-F18 PolarHBondContact O-N 2.84Å; S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.91Å |
| 16 | K | 59.1 | Low | 59.6 | Low | 157 Ų | 157 | 102.6 Ų | 102.6 | 68% | 0.683 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -69.4 | -33 | 174.6 | -91.2 | -175.4 | 169.9 | 170.6 | 0 | 112.8 | Q12 Y13 F18 R20 | Q12-K16 WeakPolarHBondContact O-CB 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.37Å; Q12-K16 PolarHBondContact O-N 3.03Å; Y13-K16 PolarHBondContact O-N 2.88Å; K16-F18 VanDerWaalsContact C-N 3.34Å; K16-R20 WeakPolarHBondContact O-CB 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å |
| 17 | E | 63.3 | Low | 58.6 | Low | 43 Ų | 43 | 105.2 Ų | 105.2 | 20% | 0.201 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 174.6 | -165.1 | 168.8 | 163.9 | 0 | 0 | 110.3 | Y13 T14 S21 | Y13-E17 WeakPolarHBondContact CE1-OE2 3.24Å; Y13-E17 WeakPolarHBondContact O-CB 3.4Å; Y13-E17 PolarHBondContact O-N 3.19Å; T14-E17 PolarHBondContact O-N 3.4Å; E17-S21 VanDerWaalsContact O-CB 3.32Å; E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.79Å |
| 18 | F | 55.8 | Low | 58 | Low | 147 Ų | 147 | 104.9 Ų | 104.9 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.5 | -49.2 | 171.7 | -160.8 | -96.4 | 0 | 0 | 0 | 111.9 | T14 S15 K16 S21 E22 | T14-F18 WeakPolarHBondContact O-CB 3.38Å; T14-F18 PolarHBondContact O-N 2.88Å; S15-F18 WeakPolarHBondContact O-CB 2.95Å; S15-F18 PolarHBondContact O-N 2.84Å; K16-F18 VanDerWaalsContact C-N 3.34Å; F18-S21 PolarHBondContact O-N 3.13Å; F18-E22 PolarHBondContact O-N 3.49Å |
| 19 | D | 53.3 | Low | 57.4 | Low | 98 Ų | 98 | 109.2 Ų | 109.2 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67 | -42.5 | 179.6 | -175.4 | -90.1 | 0 | 0 | 0 | 112.9 | S15 S21 E22 | S15-D19 WeakPolarHBondContact O-CB 3.46Å; S15-D19 PolarHBondContact O-N 2.91Å; D19-S21 PolarHBondContact O-N 2.91Å; D19-E22 WeakPolarHBondContact O-CB 3.16Å; D19-E22 PolarHBondContact O-N 3.1Å |
| 20 | R | 53.4 | Low | 56.9 | Low | 184 Ų | 184 | 109 Ų | 109 | 69% | 0.694 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63 | -26.2 | 174.6 | -173.6 | 176.7 | 67.4 | 172.3 | -1.2 | 112.1 | K16 E22 | K16-R20 WeakPolarHBondContact O-CB 3.34Å; K16-R20 PolarHBondContact O-N 3.06Å; R20-E22 VanDerWaalsContact C-N 3.35Å |
| 21 | S | 53.7 | Low | 56.7 | Low | 63 Ų | 63 | 112.4 Ų | 112.4 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -4.3 | 178.2 | -162.6 | 0 | 0 | 0 | 0 | 113.6 | E17 F18 D19 K23 L36 | E17-S21 VanDerWaalsContact O-CB 3.32Å; E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.79Å; F18-S21 PolarHBondContact O-N 3.13Å; D19-S21 PolarHBondContact O-N 2.91Å; S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 2.93Å; S21-L36 WeakPolarHBondContact OG-CD1 3.46Å |
| 22 | E | 53.9 | Low | 56.3 | Low | 140 Ų | 140 | 118 Ų | 118 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -1.3 | -179.2 | -160.2 | 171.7 | 105.4 | 0 | 0 | 113.7 | F18 D19 R20 T24 | F18-E22 PolarHBondContact O-N 3.49Å; D19-E22 WeakPolarHBondContact O-CB 3.16Å; D19-E22 PolarHBondContact O-N 3.1Å; R20-E22 VanDerWaalsContact C-N 3.35Å; E22-T24 PolarHBondContact O-N 3.43Å |
| 23 | K | 47.3 | Very low | 55.8 | Low | 169 Ų | 169 | 119.2 Ų | 119.2 | 74% | 0.735 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.7 | 92.8 | -180 | -65.4 | -176.8 | -178.4 | 171.3 | 0 | 112.3 | S21 | S21-K23 VanDerWaalsContact C-N 3.3Å; S21-K23 PolarHBondContact O-N 2.93Å |
| 24 | T | 50.2 | Low | 55.6 | Low | 127 Ų | 127 | 118.5 Ų | 118.5 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | trans | 60.5 | 128.9 | 152.3 | 58.1 | 0 | 0 | 0 | 0 | 120 | E22 | E22-T24 PolarHBondContact O-N 3.43Š| ||
| 25 | V | 46.9 | Very low | 56.1 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 80% | 0.8 | 66% | 0.658 | S | S | * | * | -171.1 | 137.8 | 117 | 171.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 26 | A | 55.6 | Low | 56.2 | Low | 79 Ų | 79 | 120 Ų | 120 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | trans | -69.4 | 145.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 27 | T | 43.5 | Very low | 56.8 | Low | 130 Ų | 130 | 115 Ų | 115 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | trans | -148.8 | 131.1 | 157.3 | -62.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 28 | G | 53.3 | Low | 57.2 | Low | 68 Ų | 68 | 121.8 Ų | 121.8 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | trans | -73.9 | 162.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 29 | D | 55.8 | Low | 58.1 | Low | 167 Ų | 167 | 121.7 Ų | 121.7 | 89% | 0.893 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 70 | 90.3 | 158.2 | -53.3 | -19.8 | 0 | 0 | 0 | 120.7 | C31 | D29-C31 PolarHBondContact O-N 3.01Š|
| 30 | C | 60.6 | Low | 59.1 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 92% | 0.919 | 65% | 0.648 | S | S | * | * | S | Bend | trans | 81.7 | -7 | 154.7 | -136.1 | 0 | 0 | 0 | 0 | 120.5 | ||
| 31 | C | 59.7 | Low | 60.4 | Low | 114 Ų | 114 | 117.7 Ų | 117.7 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | trans | -145.1 | 107.6 | 166.3 | -84.6 | 0 | 0 | 0 | 0 | 111.5 | D29 L33 | D29-C31 PolarHBondContact O-N 3.01Å; C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 3.17Å | ||
| 32 | Y | 58.4 | Low | 61.7 | Low | 194 Ų | 194 | 120.8 Ų | 120.8 | 76% | 0.761 | 65% | 0.646 | S | S | * | * | trans | -76.2 | 74.4 | -176.8 | -150.6 | -91.7 | 0 | 0 | 0 | 111.4 | ||||
| 33 | L | 59 | Low | 62.9 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 72% | 0.723 | 63% | 0.625 | S | S | * | * | trans | -101.4 | 106.3 | 173.4 | -73.2 | 173.9 | 0 | 0 | 0 | 110.2 | C31 | C31-L33 VanDerWaalsContact C-N 3.34Å; C31-L33 PolarHBondContact O-N 3.17Å | ||
| 34 | N | 64.9 | Low | 64.7 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 34% | 0.337 | 62% | 0.615 | S | S | . | * | trans | -54.4 | 128.6 | 178.1 | -173.2 | -21.2 | 0 | 0 | 0 | 109.7 | L36 V37 R38 | N34-L36 PolarHBondContact O-N 3.33Å; N34-L36 WeakPolarHBondContact OD1-CB 3.43Å; N34-L36 PolarHBondContact OD1-N 3.24Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å; N34-V37 HydrophobicContact CB-CB 4.24Å; N34-V37 HydrophobicContact CB-CG2 3.84Å; N34-V37 WeakPolarHBondContact O-CA 3.42Å; N34-V37 VanDerWaalsContact O-CB 3.32Å; N34-V37 WeakPolarHBondContact O-CB 3.32Å; N34-V37 PolarHBondContact O-N 3.19Å; N34-R38 PolarHBondContact O-N 2.8Å | ||
| 35 | P | 68.1 | Low | 66.4 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56 | -24.7 | 178.1 | 20.8 | -33.1 | 0 | 0 | 0 | 112.8 | R39 | P35-R39 PolarHBondContact O-N 3.34Å; P35-R39 VanDerWaalsContact O-N 3.08Å |
| 36 | L | 65.1 | Low | 68.3 | Low | 74 Ų | 74 | 104 Ų | 104 | 39% | 0.387 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71 | -37.6 | 172.3 | -59.2 | -179.3 | 0 | 0 | 0 | 112.6 | S21 N34 R38 R39 T40 | S21-L36 WeakPolarHBondContact OG-CD1 3.46Å; N34-L36 PolarHBondContact O-N 3.33Å; N34-L36 WeakPolarHBondContact OD1-CB 3.43Å; N34-L36 PolarHBondContact OD1-N 3.24Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.08Å; L36-R39 WeakPolarHBondContact O-CB 3.4Å; L36-R39 PolarHBondContact O-N 3.19Å; L36-T40 WeakPolarHBondContact O-CB 3.32Å; L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.25Å |
| 37 | V | 71.1 | Confident | 69.7 | Low | 53 Ų | 53 | 103.4 Ų | 103.4 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | N34 R39 T40 F41 | N34-V37 HydrophobicContact CB-CB 4.24Å; N34-V37 HydrophobicContact CB-CG2 3.84Å; N34-V37 WeakPolarHBondContact O-CA 3.42Å; N34-V37 VanDerWaalsContact O-CB 3.32Å; N34-V37 WeakPolarHBondContact O-CB 3.32Å; N34-V37 PolarHBondContact O-N 3.19Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 3.49Å; V37-T40 PolarHBondContact O-N 3.1Å; V37-F41 HydrophobicContact CG1-CD2 3.52Å; V37-F41 HydrophobicContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact O-CD2 3.25Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; V37-F41 PolarHBondContact O-N 3.02Å |
| 38 | R | 71.8 | Confident | 71.9 | Confident | 185 Ų | 185 | 98.8 Ų | 98.8 | 70% | 0.698 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.3 | -41.1 | 174.2 | -169.4 | -177.8 | -163.6 | -168.3 | 6.4 | 112.5 | N34 L36 R42 | N34-R38 PolarHBondContact O-N 2.8Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 3.08Å; R38-R42 PolarHBondContact O-N 2.83Å |
| 39 | R | 74.1 | Confident | 73.7 | Confident | 144 Ų | 144 | 101.5 Ų | 101.5 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 176.9 | -175.7 | 171.6 | -178 | 142.2 | 3 | 111.1 | P35 L36 V37 R42 F43 | P35-R39 PolarHBondContact O-N 3.34Å; P35-R39 VanDerWaalsContact O-N 3.08Å; L36-R39 WeakPolarHBondContact O-CB 3.4Å; L36-R39 PolarHBondContact O-N 3.19Å; V37-R39 VanDerWaalsContact C-N 3.3Å; V37-R39 PolarHBondContact O-N 3.49Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.91Å; R39-F43 HydrophobicContact CG-CD2 3.79Å; R39-F43 HydrophobicContact CG-CE2 3.5Å; R39-F43 WeakPolarHBondContact O-CD2 3.14Å; R39-F43 PolarHBondContact O-N 2.84Å |
| 40 | T | 75.3 | Confident | 75.3 | Confident | 59 Ų | 59 | 93.6 Ų | 93.6 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.6 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | L36 V37 R42 F43 L44 | L36-T40 WeakPolarHBondContact O-CB 3.32Å; L36-T40 PolarHBondContact O-N 3.18Å; L36-T40 PolarHBondContact O-OG1 3.25Å; V37-T40 PolarHBondContact O-N 3.1Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.37Å; T40-F43 PolarHBondContact O-N 3.34Å; T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 PolarHBondContact O-N 2.67Å |
| 41 | F | 80.2 | Confident | 76.6 | Confident | 140 Ų | 140 | 89.5 Ų | 89.5 | 61% | 0.614 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59 | -39.1 | 175.1 | -90.5 | -72.5 | 0 | 0 | 0 | 112.4 | V37 L44 G45 | V37-F41 HydrophobicContact CG1-CD2 3.52Å; V37-F41 HydrophobicContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact CG1-CE2 3.46Å; V37-F41 VanDerWaalsContact O-CD2 3.25Å; V37-F41 WeakPolarHBondContact O-CD2 3.32Å; V37-F41 PolarHBondContact O-N 3.02Å; F41-L44 PolarHBondContact O-N 3.05Å; F41-G45 PolarHBondContact O-N 3.43Å |
| 42 | R | 80.3 | Confident | 78.2 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.5 | -168.7 | -174.5 | -66.9 | 176.3 | -0.4 | 111.7 | R38 R39 T40 G45 V46 F195 | R38-R42 PolarHBondContact O-N 2.83Å; R39-R42 WeakPolarHBondContact O-CB 3.42Å; R39-R42 PolarHBondContact O-N 2.91Å; T40-R42 VanDerWaalsContact C-N 3.28Å; T40-R42 PolarHBondContact O-N 3.37Å; R42-G45 PolarHBondContact O-N 3.43Å; R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.36Å; R42-V46 VanDerWaalsContact O-N 3.1Å; R42-F195 HydrophobicContact CG-CZ 4.07Å |
| 43 | F | 80.4 | Confident | 79.7 | Confident | 50 Ų | 50 | 82.9 Ų | 82.9 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 175.9 | -80 | -70.9 | 0 | 0 | 0 | 112.4 | R39 T40 V46 Y47 Y126 Y130 | R39-F43 HydrophobicContact CG-CD2 3.79Å; R39-F43 HydrophobicContact CG-CE2 3.5Å; R39-F43 WeakPolarHBondContact O-CD2 3.14Å; R39-F43 PolarHBondContact O-N 2.84Å; T40-F43 PolarHBondContact O-N 3.34Å; F43-V46 PolarHBondContact O-N 2.87Å; F43-Y47 WeakPolarHBondContact O-CB 3.36Å; F43-Y47 PolarHBondContact O-N 3.45Å; F43-Y126 PolarHBondContact O-OH 2.94Å; F43-Y130 HydrophobicContact CD1-CD2 4.32Å; F43-Y130 HydrophobicContact CD2-CE2 4.2Å; F43-Y130 HydrophobicContact CG-CD2 4.3Å; F43-Y130 HydrophobicContact CG-CE2 4.21Å |
| 44 | L | 84.8 | Confident | 81.1 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 52% | 0.518 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 177.8 | -172.3 | 62.9 | 0 | 0 | 0 | 111.2 | T40 F41 Y47 A48 | T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 PolarHBondContact O-N 2.67Å; F41-L44 PolarHBondContact O-N 3.05Å; L44-Y47 HydrophobicContact CD1-CD1 4.29Å; L44-Y47 WeakPolarHBondContact O-CB 3.23Å; L44-Y47 PolarHBondContact O-N 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 2.92Å |
| 45 | G | 85.1 | Confident | 82.3 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | F41 R42 A48 F49 | F41-G45 PolarHBondContact O-N 3.43Å; R42-G45 PolarHBondContact O-N 3.43Å; G45-A48 PolarHBondContact O-N 2.99Å; G45-F49 WeakPolarHBondContact O-CB 3.28Å; G45-F49 PolarHBondContact O-N 3.33Å |
| 46 | V | 86.5 | Confident | 83.4 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | R42 F43 F49 G50 Y126 V191 F195 | R42-V46 WeakPolarHBondContact O-CG2 3.47Å; R42-V46 PolarHBondContact O-N 3.36Å; R42-V46 VanDerWaalsContact O-N 3.1Å; F43-V46 PolarHBondContact O-N 2.87Å; V46-F49 PolarHBondContact O-N 2.96Å; V46-G50 PolarHBondContact O-N 3.23Å; V46-Y126 HydrophobicContact CG1-CE2 4.08Å; V46-V191 HydrophobicContact CB-CG1 4.49Å; V46-V191 HydrophobicContact CG1-CB 4.27Å; V46-V191 HydrophobicContact CG1-CG1 3.82Å; V46-V191 HydrophobicContact CG1-CG2 4.18Å; V46-V191 HydrophobicContact CG2-CG1 3.78Å; V46-F195 HydrophobicContact CG2-CE2 4.44Å |
| 47 | Y | 86.6 | Confident | 84.5 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 177.3 | 178.7 | -112.9 | 0 | 0 | 0 | 111.7 | F43 L44 G50 L51 Y122 A123 Y126 | F43-Y47 WeakPolarHBondContact O-CB 3.36Å; F43-Y47 PolarHBondContact O-N 3.45Å; L44-Y47 HydrophobicContact CD1-CD1 4.29Å; L44-Y47 WeakPolarHBondContact O-CB 3.23Å; L44-Y47 PolarHBondContact O-N 3.31Å; Y47-G50 PolarHBondContact O-N 2.88Å; Y47-L51 HydrophobicContact CD1-CD1 3.95Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.43Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.43Å; Y47-L51 HydrophobicContact CE1-CG 4.06Å; Y47-L51 HydrophobicContact CE2-CD2 4.43Å; Y47-L51 HydrophobicContact CE2-CG 4.38Å; Y47-L51 PolarHBondContact O-N 3.37Å; Y47-Y122 AromaticContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CE2-CD1 4.15Å; Y47-Y122 AromaticContact CE2-CE1 3.56Å; Y47-Y122 HydrophobicContact CE2-CE1 3.56Å; Y47-Y122 PolarHBondContact O-OH 2.94Å; Y47-A123 HydrophobicContact CE2-CB 4.48Å; Y47-A123 WeakPolarHBondContact OH-CB 3.29Å; Y47-Y126 AromaticContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD2 4.3Å; Y47-Y126 AromaticContact CD2-CE1 3.82Å; Y47-Y126 HydrophobicContact CD2-CE1 3.82Å; Y47-Y126 AromaticContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CE2-CD1 4.14Å; Y47-Y126 HydrophobicContact CE2-CG 4.3Å; Y47-Y126 HydrophobicContact CG-CD1 4.09Å; Y47-Y126 HydrophobicContact CG-CE1 4.07Å |
| 48 | A | 89 | Confident | 85.1 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L44 G45 G50 L51 F52 | L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 2.92Å; G45-A48 PolarHBondContact O-N 2.99Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.07Å; A48-L51 WeakPolarHBondContact O-CB 3.49Å; A48-L51 PolarHBondContact O-N 2.83Å; A48-L51 VanDerWaalsContact O-N 3.11Å; A48-F52 WeakPolarHBondContact O-CD2 3.32Å; A48-F52 PolarHBondContact O-N 2.69Å |
| 49 | F | 90.4 | Very high | 85.7 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 55% | 0.553 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.9 | -43.5 | 174.8 | 174.9 | -101 | 0 | 0 | 0 | 111.9 | G45 V46 F52 T53 L187 | G45-F49 WeakPolarHBondContact O-CB 3.28Å; G45-F49 PolarHBondContact O-N 3.33Å; V46-F49 PolarHBondContact O-N 2.96Å; F49-F52 PolarHBondContact O-N 2.88Å; F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 PolarHBondContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 3.29Å; F49-L187 HydrophobicContact CD1-CD2 3.86Å; F49-L187 HydrophobicContact CE1-CD2 3.91Å |
| 50 | G | 89.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | V46 Y47 A48 F52 T53 V54 Y122 | V46-G50 PolarHBondContact O-N 3.23Å; Y47-G50 PolarHBondContact O-N 2.88Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.07Å; G50-F52 PolarHBondContact O-N 3.32Å; G50-T53 WeakPolarHBondContact O-CB 3.21Å; G50-T53 PolarHBondContact O-N 3.02Å; G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.95Å; G50-Y122 VanDerWaalsContact CA-OH 3.25Å; G50-Y122 WeakPolarHBondContact CA-OH 3.22Å |
| 51 | L | 89.4 | Confident | 86.3 | Confident | 50 Ų | 50 | 63.1 Ų | 63.1 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -47.6 | 171.6 | -74.1 | 177.3 | 0 | 0 | 0 | 111.4 | Y47 A48 T53 V54 D55 L119 Y122 | Y47-L51 HydrophobicContact CD1-CD1 3.95Å; Y47-L51 HydrophobicContact CD1-CG 4.44Å; Y47-L51 HydrophobicContact CE1-CD1 3.43Å; Y47-L51 VanDerWaalsContact CE1-CD1 3.43Å; Y47-L51 HydrophobicContact CE1-CG 4.06Å; Y47-L51 HydrophobicContact CE2-CD2 4.43Å; Y47-L51 HydrophobicContact CE2-CG 4.38Å; Y47-L51 PolarHBondContact O-N 3.37Å; A48-L51 WeakPolarHBondContact O-CB 3.49Å; A48-L51 PolarHBondContact O-N 2.83Å; A48-L51 VanDerWaalsContact O-N 3.11Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.42Å; L51-V54 PolarHBondContact O-N 3.34Å; L51-D55 VanDerWaalsContact O-CB 3.32Å; L51-D55 WeakPolarHBondContact O-CB 3.37Å; L51-D55 PolarHBondContact O-N 2.97Å; L51-L119 HydrophobicContact CD2-CD2 3.92Å; L51-Y122 HydrophobicContact CD2-CD1 3.62Å; L51-Y122 HydrophobicContact CD2-CE1 3.65Å; L51-Y122 HydrophobicContact CG-CD1 4.3Å; L51-Y122 HydrophobicContact CG-CE1 3.82Å |
| 52 | F | 92.1 | Very high | 86.1 | Confident | 140 Ų | 140 | 58 Ų | 58 | 61% | 0.614 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | 176 | -74.6 | -64.8 | 0 | 0 | 0 | 111.9 | A48 F49 G50 D55 I56 | A48-F52 WeakPolarHBondContact O-CD2 3.32Å; A48-F52 PolarHBondContact O-N 2.69Å; F49-F52 PolarHBondContact O-N 2.88Å; G50-F52 PolarHBondContact O-N 3.32Å; F52-D55 PolarHBondContact O-N 3.06Å; F52-I56 WeakPolarHBondContact O-CB 3.49Å; F52-I56 WeakPolarHBondContact O-CD1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.48Å; F52-I56 PolarHBondContact O-N 3.11Å |
| 53 | T | 90.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 18% | 0.178 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -51.6 | 177.1 | -57 | 0 | 0 | 0 | 0 | 110.7 | F49 G50 L51 D55 I56 F57 I183 | F49-T53 WeakPolarHBondContact O-CB 3.25Å; F49-T53 PolarHBondContact O-N 3.09Å; F49-T53 PolarHBondContact O-OG1 3.29Å; G50-T53 WeakPolarHBondContact O-CB 3.21Å; G50-T53 PolarHBondContact O-N 3.02Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 3.42Å; T53-D55 VanDerWaalsContact C-N 3.29Å; T53-D55 PolarHBondContact O-N 2.94Å; T53-I56 PolarHBondContact O-N 3.02Å; T53-F57 HydrophobicContact CG2-CD2 3.7Å; T53-F57 HydrophobicContact CG2-CE2 3.69Å; T53-F57 VanDerWaalsContact O-CD2 3.27Å; T53-F57 WeakPolarHBondContact O-CD2 3.37Å; T53-F57 PolarHBondContact O-N 3.45Å; T53-I183 HydrophobicContact CG2-CD1 4.39Å; T53-I183 HydrophobicContact CG2-CG2 4Å |
| 54 | V | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.9 | -44.6 | 176.1 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | G50 L51 F57 V58 A118 L119 Y122 I183 | G50-V54 WeakPolarHBondContact O-CG2 3.45Å; G50-V54 PolarHBondContact O-N 2.95Å; L51-V54 PolarHBondContact O-N 3.34Å; V54-F57 PolarHBondContact O-N 3.1Å; V54-V58 HydrophobicContact CG1-CG2 4.27Å; V54-V58 WeakPolarHBondContact O-CB 3.49Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 3.04Å; V54-A118 HydrophobicContact CG1-CB 3.81Å; V54-L119 HydrophobicContact CB-CD2 4.12Å; V54-L119 HydrophobicContact CG1-CD2 3.79Å; V54-L119 HydrophobicContact CG1-CG 4.39Å; V54-Y122 HydrophobicContact CG2-CD2 3.87Å; V54-Y122 HydrophobicContact CG2-CG 3.89Å; V54-I183 HydrophobicContact CB-CD1 4.22Å; V54-I183 HydrophobicContact CG2-CB 3.9Å; V54-I183 HydrophobicContact CG2-CD1 3.75Å; V54-I183 HydrophobicContact CG2-CG1 4.43Å; V54-I183 HydrophobicContact CG2-CG2 3.65Å |
| 55 | D | 88.9 | Confident | 84.8 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.214 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.5 | -49.8 | 178.5 | -169.1 | 78 | 0 | 0 | 0 | 112 | L51 F52 T53 F57 V58 N59 K115 | L51-D55 VanDerWaalsContact O-CB 3.32Å; L51-D55 WeakPolarHBondContact O-CB 3.37Å; L51-D55 PolarHBondContact O-N 2.97Å; F52-D55 PolarHBondContact O-N 3.06Å; T53-D55 VanDerWaalsContact C-N 3.29Å; T53-D55 PolarHBondContact O-N 2.94Å; D55-F57 PolarHBondContact O-N 3.24Å; D55-V58 PolarHBondContact O-N 3.39Å; D55-N59 VanDerWaalsContact O-CB 3.3Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 2.99Å; D55-N59 PolarHBondContact O-ND2 3.41Å; D55-N59 VanDerWaalsContact O-ND2 3.09Å; D55-N59 PolarHBondContact OD2-ND2 2.81Å; D55-K115 WeakPolarHBondContact OD1-CE 3.27Å; D55-K115 IonicContact OD1-NZ 2.6Å; D55-K115 PolarHBondContact OD1-NZ 3.37Å |
| 56 | I | 90.6 | Very high | 83.5 | Confident | 109 Ų | 109 | 58.2 Ų | 58.2 | 56% | 0.559 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.1 | -47.5 | 178.8 | -69.1 | 164.1 | 0 | 0 | 0 | 110.9 | F52 T53 V58 N59 A60 | F52-I56 WeakPolarHBondContact O-CB 3.49Å; F52-I56 WeakPolarHBondContact O-CD1 3.25Å; F52-I56 WeakPolarHBondContact O-CG1 3.48Å; F52-I56 PolarHBondContact O-N 3.11Å; T53-I56 PolarHBondContact O-N 3.02Å; I56-V58 PolarHBondContact O-N 3.35Å; I56-N59 PolarHBondContact O-N 3.28Å; I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 2.95Å |
| 57 | F | 88.3 | Confident | 82.2 | Confident | 125 Ų | 125 | 61 Ų | 61 | 55% | 0.548 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | -179.3 | -88.5 | -78 | 0 | 0 | 0 | 112.3 | T53 V54 D55 A60 G61 I179 I183 | T53-F57 HydrophobicContact CG2-CD2 3.7Å; T53-F57 HydrophobicContact CG2-CE2 3.69Å; T53-F57 VanDerWaalsContact O-CD2 3.27Å; T53-F57 WeakPolarHBondContact O-CD2 3.37Å; T53-F57 PolarHBondContact O-N 3.45Å; V54-F57 PolarHBondContact O-N 3.1Å; D55-F57 PolarHBondContact O-N 3.24Å; F57-A60 PolarHBondContact O-N 3.43Å; F57-G61 PolarHBondContact O-N 3.33Å; F57-I179 HydrophobicContact CB-CG2 4.38Å; F57-I183 HydrophobicContact CB-CD1 4.05Å; F57-I183 HydrophobicContact CD2-CD1 3.86Å; F57-I183 HydrophobicContact CG-CD1 4.13Å |
| 58 | V | 85.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 111 | V54 D55 I56 A60 G61 Q62 P113 K115 A118 I179 | V54-V58 HydrophobicContact CG1-CG2 4.27Å; V54-V58 WeakPolarHBondContact O-CB 3.49Å; V54-V58 VanDerWaalsContact O-CG2 3.3Å; V54-V58 WeakPolarHBondContact O-CG2 3.32Å; V54-V58 PolarHBondContact O-N 3.04Å; D55-V58 PolarHBondContact O-N 3.39Å; I56-V58 PolarHBondContact O-N 3.35Å; V58-A60 VanDerWaalsContact C-N 3.29Å; V58-A60 PolarHBondContact O-N 3.2Å; V58-G61 PolarHBondContact O-N 3.27Å; V58-G61 VanDerWaalsContact O-N 3.16Å; V58-Q62 HydrophobicContact CG1-CG 4.43Å; V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.42Å; V58-P113 HydrophobicContact CG1-CG 4.14Å; V58-P113 HydrophobicContact CG2-CG 4.41Å; V58-K115 HydrophobicContact CG1-CB 3.74Å; V58-K115 HydrophobicContact CG1-CG 4.29Å; V58-A118 HydrophobicContact CG2-CB 3.67Å; V58-I179 HydrophobicContact CG2-CG2 4.41Å |
| 59 | N | 84.3 | Confident | 79.4 | Confident | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 177.2 | -70.2 | -28.6 | 0 | 0 | 0 | 111 | D55 I56 Q62 V63 | D55-N59 VanDerWaalsContact O-CB 3.3Å; D55-N59 WeakPolarHBondContact O-CB 3.25Å; D55-N59 PolarHBondContact O-N 2.99Å; D55-N59 PolarHBondContact O-ND2 3.41Å; D55-N59 VanDerWaalsContact O-ND2 3.09Å; D55-N59 PolarHBondContact OD2-ND2 2.81Å; I56-N59 PolarHBondContact O-N 3.28Å; N59-Q62 PolarHBondContact O-N 3.36Å; N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.3Å |
| 60 | A | 83.2 | Confident | 77.8 | Confident | 49 Ų | 49 | 55.5 Ų | 55.5 | 41% | 0.405 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I56 F57 V58 Q62 V63 V64 | I56-A60 VanDerWaalsContact O-CB 3.28Å; I56-A60 WeakPolarHBondContact O-CB 3.44Å; I56-A60 PolarHBondContact O-N 2.95Å; F57-A60 PolarHBondContact O-N 3.43Å; V58-A60 VanDerWaalsContact C-N 3.29Å; V58-A60 PolarHBondContact O-N 3.2Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.43Å; A60-V63 PolarHBondContact O-N 3.03Å; A60-V63 VanDerWaalsContact O-N 3.12Å; A60-V64 VanDerWaalsContact O-CG2 3.3Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.91Å |
| 61 | G | 77.6 | Confident | 76.1 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 19% | 0.186 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.3 | -37.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F57 V58 V64 T65 F112 | F57-G61 PolarHBondContact O-N 3.33Å; V58-G61 PolarHBondContact O-N 3.27Å; V58-G61 VanDerWaalsContact O-N 3.16Å; G61-V64 PolarHBondContact O-N 3.44Å; G61-T65 WeakPolarHBondContact O-CB 3.32Å; G61-T65 PolarHBondContact O-N 2.86Å; G61-T65 PolarHBondContact O-OG1 3.46Å; G61-F112 CarbonylContact C-O 3.49Å |
| 62 | Q | 76.4 | Confident | 74.7 | Confident | 31 Ų | 31 | 56 Ų | 56 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 174.8 | -71.8 | 177.1 | -1.1 | 0 | 0 | 113.1 | V58 N59 A60 G66 K110 F112 P113 | V58-Q62 HydrophobicContact CG1-CG 4.43Å; V58-Q62 WeakPolarHBondContact O-CG 3.35Å; V58-Q62 PolarHBondContact O-N 3.42Å; N59-Q62 PolarHBondContact O-N 3.36Å; A60-Q62 VanDerWaalsContact C-N 3.27Å; A60-Q62 PolarHBondContact O-N 3.43Å; Q62-G66 PolarHBondContact O-N 3.49Å; Q62-K110 HydrophobicContact CB-CB 4.31Å; Q62-F112 WeakPolarHBondContact CA-O 3.09Å; Q62-F112 WeakPolarHBondContact CG-O 3.3Å; Q62-F112 PolarHBondContact N-O 2.95Å; Q62-P113 PolarHBondContact NE2-O 2.86Å; Q62-P113 VanDerWaalsContact NE2-O 3.12Å |
| 63 | V | 76.4 | Confident | 72.9 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.6 | -38.8 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | N59 A60 | N59-V63 WeakPolarHBondContact O-CG2 3.47Å; N59-V63 PolarHBondContact O-N 3.3Å; A60-V63 PolarHBondContact O-N 3.03Å; A60-V63 VanDerWaalsContact O-N 3.12Å |
| 64 | V | 72.8 | Confident | 71.4 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.6 | -40 | -177.1 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | A60 G61 | A60-V64 VanDerWaalsContact O-CG2 3.3Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 2.91Å; G61-V64 PolarHBondContact O-N 3.44Å |
| 65 | T | 68.6 | Low | 70.1 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -86.5 | -38.6 | -170.9 | -42.9 | 0 | 0 | 0 | 0 | 112.8 | G61 N67 F112 | G61-T65 WeakPolarHBondContact O-CB 3.32Å; G61-T65 PolarHBondContact O-N 2.86Å; G61-T65 PolarHBondContact O-OG1 3.46Å; T65-N67 HydrophobicContact CG2-CB 4.27Å; T65-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N67 PolarHBondContact O-N 2.78Å; T65-F112 HydrophobicContact CG2-CB 3.92Å; T65-F112 HydrophobicContact CG2-CD1 3.58Å; T65-F112 HydrophobicContact CG2-CE1 4.28Å; T65-F112 HydrophobicContact CG2-CG 3.79Å; T65-F112 WeakPolarHBondContact OG1-CD1 3.32Å |
| 66 | G | 58.6 | Low | 69 | Low | 34 Ų | 34 | 57.7 Ų | 57.7 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | trans | 59.1 | 17.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q62 | Q62-G66 PolarHBondContact O-N 3.49Š| ||
| 67 | N | 59.1 | Low | 67.7 | Low | 85 Ų | 85 | 59.3 Ų | 59.3 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -73.6 | 135.9 | -177.9 | -83 | -17 | 0 | 0 | 0 | 112.3 | T65 R109 T111 F112 | T65-N67 HydrophobicContact CG2-CB 4.27Å; T65-N67 WeakPolarHBondContact CG2-ND2 3.35Å; T65-N67 PolarHBondContact O-N 2.78Å; N67-R109 CarbonylContact O-C 3.54Å; N67-T111 PolarHBondContact O-N 3.33Å; N67-F112 HydrophobicContact CB-CB 4.05Å |
| 68 | L | 56.6 | Low | 66.6 | Low | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 139.1 | 176.9 | -87.8 | 65.2 | 0 | 0 | 0 | 111.8 | F72 R109 | L68-F72 HydrophobicContact CB-CB 4.27Å; L68-F72 HydrophobicContact CB-CG 4.25Å; L68-F72 HydrophobicContact CD2-CB 4.38Å; L68-F72 HydrophobicContact CD2-CD1 3.3Å; L68-F72 HydrophobicContact CD2-CD2 4Å; L68-F72 HydrophobicContact CD2-CE1 3.38Å; L68-F72 HydrophobicContact CD2-CE2 4.09Å; L68-F72 HydrophobicContact CD2-CG 3.62Å; L68-F72 HydrophobicContact CD2-CZ 3.8Å; L68-F72 HydrophobicContact CG-CB 4.37Å; L68-F72 HydrophobicContact CG-CD1 4.05Å; L68-F72 HydrophobicContact CG-CD2 3.87Å; L68-F72 HydrophobicContact CG-CE1 4.29Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CG 3.82Å; L68-F72 HydrophobicContact CG-CZ 4.35Å; L68-R109 HydrophobicContact CD1-CG 3.66Å; L68-R109 HydrophobicContact CG-CG 4.02Å |
| 69 | A | 60.4 | Low | 65.5 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 5% | 0.05 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y71 F72 A108 T111 | A69-Y71 HydrophobicContact CB-CD1 3.38Å; A69-Y71 HydrophobicContact CB-CE1 3.24Å; A69-Y71 HydrophobicContact CB-CG 4.09Å; A69-Y71 PolarHBondContact O-N 2.86Å; A69-F72 WeakPolarHBondContact O-CB 3.19Å; A69-F72 PolarHBondContact O-N 2.86Å; A69-A108 HydrophobicContact CB-CB 4.25Å; A69-A108 WeakPolarHBondContact CB-O 3.49Å; A69-A108 PolarHBondContact N-O 2.88Å; A69-T111 VanDerWaalsContact CA-OG1 3.25Å; A69-T111 WeakPolarHBondContact CA-OG1 3.45Å; A69-T111 HydrophobicContact CB-CG2 3.7Å; A69-T111 WeakPolarHBondContact CB-OG1 3.21Å; A69-T111 PolarHBondContact N-OG1 2.89Å; A69-T111 VanDerWaalsContact N-OG1 3.07Å |
| 70 | P | 55.5 | Low | 64.4 | Low | 53 Ų | 53 | 62.2 Ų | 62.2 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.8 | 171 | 23.1 | -30.8 | 0 | 0 | 0 | 113.2 | F72 | P70-F72 VanDerWaalsContact C-N 3.33Š|
| 71 | Y | 54.1 | Low | 63.2 | Low | 58 Ų | 58 | 66.3 Ų | 66.3 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 4 | 174.9 | 73.4 | -90.2 | 0 | 0 | 0 | 113.8 | A69 L73 T74 V75 A108 R167 | A69-Y71 HydrophobicContact CB-CD1 3.38Å; A69-Y71 HydrophobicContact CB-CE1 3.24Å; A69-Y71 HydrophobicContact CB-CG 4.09Å; A69-Y71 PolarHBondContact O-N 2.86Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.26Å; Y71-T74 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-OG1 2.98Å; Y71-V75 HydrophobicContact CD2-CG2 3.74Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 PolarHBondContact O-N 3.32Å; Y71-A108 HydrophobicContact CD2-CB 4.08Å; Y71-A108 HydrophobicContact CE2-CB 3.48Å; Y71-A108 VanDerWaalsContact CE2-CB 3.48Å; Y71-R167 WeakPolarHBondContact CD1-O 3.33Å; Y71-R167 VanDerWaalsContact CE1-O 3.22Å; Y71-R167 WeakPolarHBondContact CE1-O 3.38Å |
| 72 | F | 60.1 | Low | 62.1 | Low | 3 Ų | 3 | 69.1 Ų | 69.1 | 1% | 0.013 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | -179.4 | 176 | -91.1 | 0 | 0 | 0 | 112.3 | L68 A69 P70 V75 C76 V105 A108 R109 | L68-F72 HydrophobicContact CB-CB 4.27Å; L68-F72 HydrophobicContact CB-CG 4.25Å; L68-F72 HydrophobicContact CD2-CB 4.38Å; L68-F72 HydrophobicContact CD2-CD1 3.3Å; L68-F72 HydrophobicContact CD2-CD2 4Å; L68-F72 HydrophobicContact CD2-CE1 3.38Å; L68-F72 HydrophobicContact CD2-CE2 4.09Å; L68-F72 HydrophobicContact CD2-CG 3.62Å; L68-F72 HydrophobicContact CD2-CZ 3.8Å; L68-F72 HydrophobicContact CG-CB 4.37Å; L68-F72 HydrophobicContact CG-CD1 4.05Å; L68-F72 HydrophobicContact CG-CD2 3.87Å; L68-F72 HydrophobicContact CG-CE1 4.29Å; L68-F72 HydrophobicContact CG-CE2 4.14Å; L68-F72 HydrophobicContact CG-CG 3.82Å; L68-F72 HydrophobicContact CG-CZ 4.35Å; A69-F72 WeakPolarHBondContact O-CB 3.19Å; A69-F72 PolarHBondContact O-N 2.86Å; P70-F72 VanDerWaalsContact C-N 3.33Å; F72-V75 PolarHBondContact O-N 2.87Å; F72-C76 HydrophobicContact CD1-CB 4.28Å; F72-C76 HydrophobicContact CE1-CB 3.97Å; F72-C76 HydrophobicContact CZ-CB 4.22Å; F72-C76 WeakPolarHBondContact O-CB 3.43Å; F72-C76 PolarHBondContact O-N 2.94Å; F72-V105 HydrophobicContact CE2-CG1 3.65Å; F72-V105 HydrophobicContact CZ-CG1 4.15Å; F72-A108 HydrophobicContact CB-CB 4.01Å; F72-A108 HydrophobicContact CD2-CB 3.72Å; F72-A108 HydrophobicContact CG-CB 4.34Å; F72-R109 HydrophobicContact CD2-CG 4.36Å; F72-R109 HydrophobicContact CE2-CG 3.88Å |
| 73 | L | 54.7 | Low | 61.2 | Low | 105 Ų | 105 | 71.1 Ų | 71.1 | 55% | 0.55 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.4 | -33.8 | -176.8 | -71.6 | 166.8 | 0 | 0 | 0 | 113.1 | Y71 K77 I92 | Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.26Å; L73-K77 PolarHBondContact O-N 3.47Å; L73-I92 HydrophobicContact CD2-CD1 4.33Å |
| 74 | T | 57.9 | Low | 60.1 | Low | 103 Ų | 103 | 68 Ų | 68 | 63% | 0.632 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.6 | -33.1 | 177.5 | 46.7 | 0 | 0 | 0 | 0 | 112 | Y71 | Y71-T74 PolarHBondContact O-N 3.48Å; Y71-T74 PolarHBondContact O-OG1 2.98Å |
| 75 | V | 62.8 | Low | 59.2 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -81.8 | -40.7 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 111.7 | Y71 F72 K77 G100 D104 V105 | Y71-V75 HydrophobicContact CD2-CG2 3.74Å; Y71-V75 HydrophobicContact CE2-CG2 4.21Å; Y71-V75 PolarHBondContact O-N 3.32Å; F72-V75 PolarHBondContact O-N 2.87Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.05Å; V75-G100 WeakPolarHBondContact O-CA 3.22Å; V75-D104 HydrophobicContact CG1-CB 3.48Å; V75-D104 VanDerWaalsContact CG1-CB 3.48Å; V75-V105 HydrophobicContact CG1-CG2 3.85Å |
| 76 | C | 66.3 | Low | 58.5 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.2 | -35.9 | -178.3 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | F72 C98 T99 G100 | F72-C76 HydrophobicContact CD1-CB 4.28Å; F72-C76 HydrophobicContact CE1-CB 3.97Å; F72-C76 HydrophobicContact CZ-CB 4.22Å; F72-C76 WeakPolarHBondContact O-CB 3.43Å; F72-C76 PolarHBondContact O-N 2.94Å; C76-C98 HydrophobicContact CB-CB 3.91Å; C76-C98 WeakPolarHBondContact CB-SG 3.36Å; C76-C98 CarbonylContact O-C 3.39Å; C76-C98 WeakPolarHBondContact O-CA 3.16Å; C76-C98 WeakPolarHBondContact O-CB 3.04Å; C76-C98 VanDerWaalsContact SG-CA 3.56Å; C76-C98 WeakPolarHBondContact SG-CB 3.27Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 3.06Å; C76-T99 PolarHBondContact O-N 3.41Å; C76-G100 PolarHBondContact O-N 2.93Å |
| 77 | K | 62 | Low | 58.3 | Low | 142 Ų | 142 | 78.3 Ų | 78.3 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | trans | 42.8 | 72.7 | -173.9 | -70.5 | -171.9 | 178.2 | 176.4 | 0 | 111.2 | L73 V75 N79 T99 | L73-K77 PolarHBondContact O-N 3.47Å; V75-K77 VanDerWaalsContact C-N 3.33Å; V75-K77 PolarHBondContact O-N 3.05Å; K77-N79 PolarHBondContact O-N 3.47Å; K77-T99 PolarHBondContact O-N 3.21Å; K77-T99 PolarHBondContact O-OG1 3.23Å | ||
| 78 | P | 65.8 | Low | 57.9 | Low | 18 Ų | 18 | 79.7 Ų | 79.7 | 12% | 0.117 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -62.8 | 132.9 | -171.2 | 24.8 | -34.1 | 0 | 0 | 0 | 111.5 | Y80 A97 | P78-Y80 HydrophobicContact CG-CE1 4.06Å; P78-Y80 HydrophobicContact CG-CE2 3.9Å; P78-Y80 WeakPolarHBondContact CG-OH 3.32Å; P78-Y80 VanDerWaalsContact O-CD2 3.28Å; P78-Y80 WeakPolarHBondContact O-CD2 3.37Å; P78-Y80 WeakPolarHBondContact O-CE2 3.06Å; P78-Y80 PolarHBondContact O-N 2.96Å; P78-Y80 VanDerWaalsContact O-N 3.14Å; P78-A97 VanDerWaalsContact CA-O 3.26Å; P78-A97 WeakPolarHBondContact CA-O 3.47Å |
| 79 | N | 63 | Low | 57.4 | Low | 65 Ų | 65 | 85.5 Ų | 85.5 | 35% | 0.348 | 49% | 0.485 | S | S | . | . | trans | -82.2 | 89.7 | 176.3 | -170.7 | -16.9 | 0 | 0 | 0 | 110.2 | K77 T81 A82 L83 A97 | K77-N79 PolarHBondContact O-N 3.47Å; N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.15Å; N79-T81 WeakPolarHBondContact OD1-CB 3.27Å; N79-T81 PolarHBondContact OD1-N 3.4Å; N79-A82 PolarHBondContact O-N 2.87Å; N79-A82 VanDerWaalsContact O-N 3.16Å; N79-L83 WeakPolarHBondContact O-CD1 3.3Å; N79-A97 PolarHBondContact N-O 3.23Å | ||
| 80 | Y | 60.3 | Low | 56.9 | Low | 161 Ų | 161 | 93.9 Ų | 93.9 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.8 | -177.3 | -61.1 | -78 | 0 | 0 | 0 | 114 | P78 A82 | P78-Y80 HydrophobicContact CG-CE1 4.06Å; P78-Y80 HydrophobicContact CG-CE2 3.9Å; P78-Y80 WeakPolarHBondContact CG-OH 3.32Å; P78-Y80 VanDerWaalsContact O-CD2 3.28Å; P78-Y80 WeakPolarHBondContact O-CD2 3.37Å; P78-Y80 WeakPolarHBondContact O-CE2 3.06Å; P78-Y80 PolarHBondContact O-N 2.96Å; P78-Y80 VanDerWaalsContact O-N 3.14Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.39Å |
| 81 | T | 59.1 | Low | 56.5 | Low | 136 Ų | 136 | 98.6 Ų | 98.6 | 83% | 0.834 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -26.3 | -179.9 | -39.7 | 0 | 0 | 0 | 0 | 112.3 | N79 | N79-T81 PolarHBondContact O-N 3.5Å; N79-T81 VanDerWaalsContact O-N 3.15Å; N79-T81 WeakPolarHBondContact OD1-CB 3.27Å; N79-T81 PolarHBondContact OD1-N 3.4Å |
| 82 | A | 53.7 | Low | 56.5 | Low | 77 Ų | 77 | 97.8 Ų | 97.8 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -18.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | N79 Y80 | N79-A82 PolarHBondContact O-N 2.87Å; N79-A82 VanDerWaalsContact O-N 3.16Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 3.39Å |
| 83 | L | 57.4 | Low | 56.1 | Low | 73 Ų | 73 | 100.9 Ų | 100.9 | 38% | 0.382 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -85.6 | -11.9 | -173.3 | -90.8 | 84.6 | 0 | 0 | 0 | 114.9 | N79 A97 | N79-L83 WeakPolarHBondContact O-CD1 3.3Å; L83-A97 HydrophobicContact CD1-CB 3.87Å |
| 84 | G | 53.1 | Low | 55.9 | Low | 49 Ų | 49 | 102 Ų | 102 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | trans | 61.5 | 102.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q86 | G84-Q86 PolarHBondContact O-N 3.44Š| ||
| 85 | C | 54.6 | Low | 55.6 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 85% | 0.851 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 63.1 | -177.3 | -73.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 86 | Q | 53.7 | Low | 55 | Low | 164 Ų | 164 | 108.7 Ų | 108.7 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -12.9 | -177.6 | -135.4 | 147 | -43.4 | 0 | 0 | 114.5 | G84 | G84-Q86 PolarHBondContact O-N 3.44Š|
| 87 | Q | 53.3 | Low | 54.4 | Low | 135 Ų | 135 | 109.1 Ų | 109.1 | 63% | 0.631 | 58% | 0.576 | S | S | * | * | trans | -142.9 | 114.3 | 172.3 | -69.4 | 84.3 | 25.3 | 0 | 0 | 112.2 | L89 | Q87-L89 PolarHBondContact O-N 3.47Š| ||
| 88 | A | 50.9 | Low | 54.4 | Low | 113 Ų | 113 | 103.5 Ų | 103.5 | 93% | 0.934 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 3.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 89 | L | 47.5 | Very low | 54.3 | Low | 172 Ų | 172 | 107.4 Ų | 107.4 | 90% | 0.901 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.7 | 44.8 | -172.4 | -92 | 160.6 | 0 | 0 | 0 | 112.2 | Q87 | Q87-L89 PolarHBondContact O-N 3.47Š|
| 90 | R | 49.5 | Very low | 54.3 | Low | 181 Ų | 181 | 105.4 Ų | 105.4 | 68% | 0.683 | 57% | 0.573 | S | S | * | * | trans | -90.3 | 113.2 | 170.8 | -158.4 | 168.2 | -177.1 | 113.5 | -1.2 | 109.5 | I92 | R90-I92 PolarHBondContact O-N 2.93Š| ||
| 91 | Y | 46.8 | Very low | 54.7 | Low | 152 Ų | 152 | 102.2 Ų | 102.2 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | trans | -57.3 | 123.4 | 169.7 | -173.2 | -95.8 | 0 | 0 | 0 | 108.6 | S93 | Y91-S93 WeakPolarHBondContact CD1-OG 3.42Å; Y91-S93 PolarHBondContact O-N 2.98Å | ||
| 92 | I | 54.7 | Low | 54.7 | Low | 41 Ų | 41 | 101.8 Ų | 101.8 | 21% | 0.21 | 56% | 0.555 | C | S | . | * | trans | -74.9 | 74.5 | -175.9 | -54.2 | 171.2 | 0 | 0 | 0 | 108.7 | L73 R90 A97 R109 | L73-I92 HydrophobicContact CD2-CD1 4.33Å; R90-I92 PolarHBondContact O-N 2.93Å; I92-A97 HydrophobicContact CG2-CB 3.63Å; I92-R109 PolarHBondContact O-NH2 3.41Å | ||
| 93 | S | 50.4 | Low | 55 | Low | 68 Ų | 68 | 103.6 Ų | 103.6 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | trans | -80.2 | -32.2 | 177.5 | -100.9 | 0 | 0 | 0 | 0 | 112.5 | Y91 R109 | Y91-S93 WeakPolarHBondContact CD1-OG 3.42Å; Y91-S93 PolarHBondContact O-N 2.98Å; S93-R109 PolarHBondContact O-NH2 3.5Å | ||
| 94 | H | 51.3 | Low | 55.1 | Low | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | trans | -84.5 | 129.5 | -171.9 | -75.2 | -86.8 | 0 | 0 | 0 | 112.9 | E96 A97 | H94-E96 PolarHBondContact O-N 3.44Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 3.49Å | ||
| 95 | Q | 51.4 | Low | 55.4 | Low | 105 Ų | 105 | 101.4 Ų | 101.4 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -63.3 | -22.4 | -179.7 | -161.1 | 148.9 | -32.5 | 0 | 0 | 113 | A97 | Q95-A97 PolarHBondContact O-N 3.42Š|
| 96 | E | 49.8 | Very low | 55.7 | Low | 176 Ų | 176 | 99.3 Ų | 99.3 | 82% | 0.822 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -69.1 | -10.6 | 175.8 | -57.2 | -76.1 | 141.8 | 0 | 0 | 113.9 | H94 | H94-E96 PolarHBondContact O-N 3.44Š|
| 97 | A | 54.5 | Low | 56.1 | Low | 8 Ų | 8 | 99.4 Ų | 99.4 | 7% | 0.066 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -86.6 | -17.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | P78 N79 L83 I92 H94 Q95 | P78-A97 VanDerWaalsContact CA-O 3.26Å; P78-A97 WeakPolarHBondContact CA-O 3.47Å; N79-A97 PolarHBondContact N-O 3.23Å; L83-A97 HydrophobicContact CD1-CB 3.87Å; I92-A97 HydrophobicContact CG2-CB 3.63Å; H94-A97 WeakPolarHBondContact O-CB 3.47Å; H94-A97 PolarHBondContact O-N 3.49Å; Q95-A97 PolarHBondContact O-N 3.42Å |
| 98 | C | 61.4 | Low | 56.2 | Low | 25 Ų | 25 | 93 Ų | 93 | 17% | 0.169 | 48% | 0.475 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 130.5 | -175.4 | -60.5 | 0 | 0 | 0 | 0 | 111 | C76 V105 | C76-C98 HydrophobicContact CB-CB 3.91Å; C76-C98 WeakPolarHBondContact CB-SG 3.36Å; C76-C98 CarbonylContact O-C 3.39Å; C76-C98 WeakPolarHBondContact O-CA 3.16Å; C76-C98 WeakPolarHBondContact O-CB 3.04Å; C76-C98 VanDerWaalsContact SG-CA 3.56Å; C76-C98 WeakPolarHBondContact SG-CB 3.27Å; C76-C98 CovalentContact SG-SG 2.03Å; C76-C98 PolarHBondContact SG-SG 3.06Å; C98-V105 HydrophobicContact CB-CG2 4.31Å |
| 99 | T | 64.4 | Low | 56.6 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | trans | -97.1 | -4 | 178.2 | -14.3 | 0 | 0 | 0 | 0 | 112.8 | C76 K77 | C76-T99 PolarHBondContact O-N 3.41Å; K77-T99 PolarHBondContact O-N 3.21Å; K77-T99 PolarHBondContact O-OG1 3.23Å | ||
| 100 | G | 63.4 | Low | 57 | Low | 24 Ų | 24 | 87.1 Ų | 87.1 | 25% | 0.247 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -81.7 | 176.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V75 C76 Q102 | V75-G100 WeakPolarHBondContact O-CA 3.22Å; C76-G100 PolarHBondContact O-N 2.93Å; G100-Q102 PolarHBondContact O-N 3.44Å |
| 101 | N | 68.4 | Low | 57.4 | Low | 93 Ų | 93 | 78.8 Ų | 78.8 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | trans | -62 | 126.4 | -179.9 | -173.9 | 12.5 | 0 | 0 | 0 | 111.9 | D103 D104 V105 | N101-D103 VanDerWaalsContact C-N 3.31Å; N101-D103 PolarHBondContact O-N 2.89Å; N101-D104 PolarHBondContact ND2-OD2 2.97Å; N101-D104 PolarHBondContact O-N 3.43Å; N101-V105 WeakPolarHBondContact O-CG2 3.06Å; N101-V105 PolarHBondContact O-N 3.44Å; N101-V105 VanDerWaalsContact O-N 3.16Å | ||
| 102 | Q | 59.5 | Low | 57.8 | Low | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.8 | -35.2 | -173.4 | -76.5 | -171.8 | -27.4 | 0 | 0 | 113.4 | G100 V105 L106 | G100-Q102 PolarHBondContact O-N 3.44Å; Q102-V105 PolarHBondContact O-N 2.85Å; Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.41Å |
| 103 | D | 58.8 | Low | 58.2 | Low | 115 Ų | 115 | 72.1 Ų | 72.1 | 62% | 0.615 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.4 | -39.7 | -179.3 | -68.2 | -42.5 | 0 | 0 | 0 | 112.5 | N101 L106 R107 | N101-D103 VanDerWaalsContact C-N 3.31Å; N101-D103 PolarHBondContact O-N 2.89Å; D103-L106 PolarHBondContact O-N 2.85Å; D103-R107 WeakPolarHBondContact O-CB 3.37Å; D103-R107 PolarHBondContact O-N 3.12Å |
| 104 | D | 59.3 | Low | 59.5 | Low | 60 Ų | 60 | 69 Ų | 69 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.6 | -33.3 | 179.5 | -62.9 | -48.6 | 0 | 0 | 0 | 111.1 | V75 N101 R107 A108 | V75-D104 HydrophobicContact CG1-CB 3.48Å; V75-D104 VanDerWaalsContact CG1-CB 3.48Å; N101-D104 PolarHBondContact ND2-OD2 2.97Å; N101-D104 PolarHBondContact O-N 3.43Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-NH1 3.82Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.05Å |
| 105 | V | 60.6 | Low | 60.9 | Low | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 172.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | F72 V75 C98 N101 Q102 A108 R109 | F72-V105 HydrophobicContact CE2-CG1 3.65Å; F72-V105 HydrophobicContact CZ-CG1 4.15Å; V75-V105 HydrophobicContact CG1-CG2 3.85Å; C98-V105 HydrophobicContact CB-CG2 4.31Å; N101-V105 WeakPolarHBondContact O-CG2 3.06Å; N101-V105 PolarHBondContact O-N 3.44Å; N101-V105 VanDerWaalsContact O-N 3.16Å; Q102-V105 PolarHBondContact O-N 2.85Å; V105-A108 PolarHBondContact O-N 3.22Å; V105-R109 PolarHBondContact O-N 3.05Å; V105-R109 VanDerWaalsContact O-N 3.11Å |
| 106 | L | 60.4 | Low | 62.3 | Low | 83 Ų | 83 | 66.2 Ų | 66.2 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.2 | -154.7 | 96.2 | 0 | 0 | 0 | 111.5 | Q102 D103 R109 | Q102-L106 WeakPolarHBondContact O-CB 3.32Å; Q102-L106 PolarHBondContact O-N 3.41Å; D103-L106 PolarHBondContact O-N 2.85Å; L106-R109 PolarHBondContact O-N 2.93Å |
| 107 | R | 61 | Low | 64 | Low | 166 Ų | 166 | 57.9 Ų | 57.9 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.5 | -38.6 | 174 | -172.3 | 179.7 | -70.6 | 158.7 | -2.3 | 111.8 | D103 D104 R109 K110 | D103-R107 WeakPolarHBondContact O-CB 3.37Å; D103-R107 PolarHBondContact O-N 3.12Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-NH1 3.82Å; R107-R109 PolarHBondContact O-N 3.44Å; R107-K110 PolarHBondContact O-N 3.12Å |
| 108 | A | 56 | Low | 65.5 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.9 | -11.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A69 Y71 F72 D104 V105 T111 | A69-A108 HydrophobicContact CB-CB 4.25Å; A69-A108 WeakPolarHBondContact CB-O 3.49Å; A69-A108 PolarHBondContact N-O 2.88Å; Y71-A108 HydrophobicContact CD2-CB 4.08Å; Y71-A108 HydrophobicContact CE2-CB 3.48Å; Y71-A108 VanDerWaalsContact CE2-CB 3.48Å; F72-A108 HydrophobicContact CB-CB 4.01Å; F72-A108 HydrophobicContact CD2-CB 3.72Å; F72-A108 HydrophobicContact CG-CB 4.34Å; D104-A108 VanDerWaalsContact O-CB 3.3Å; D104-A108 WeakPolarHBondContact O-CB 3.39Å; D104-A108 PolarHBondContact O-N 3.05Å; V105-A108 PolarHBondContact O-N 3.22Å; A108-T111 PolarHBondContact O-OG1 2.83Å |
| 109 | R | 59.1 | Low | 66.7 | Low | 66 Ų | 66 | 58.1 Ų | 58.1 | 25% | 0.249 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7.1 | 174.1 | -113.7 | -178.6 | -161.5 | -170.3 | 4.3 | 114.2 | N67 L68 F72 I92 S93 V105 L106 R107 | N67-R109 CarbonylContact O-C 3.54Å; L68-R109 HydrophobicContact CD1-CG 3.66Å; L68-R109 HydrophobicContact CG-CG 4.02Å; F72-R109 HydrophobicContact CD2-CG 4.36Å; F72-R109 HydrophobicContact CE2-CG 3.88Å; I92-R109 PolarHBondContact O-NH2 3.41Å; S93-R109 PolarHBondContact O-NH2 3.5Å; V105-R109 PolarHBondContact O-N 3.05Å; V105-R109 VanDerWaalsContact O-N 3.11Å; L106-R109 PolarHBondContact O-N 2.93Å; R107-R109 PolarHBondContact O-N 3.44Å |
| 110 | K | 55.6 | Low | 67.8 | Low | 96 Ų | 96 | 54.5 Ų | 54.5 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | trans | -121.6 | 60 | -174.7 | -74.2 | 179.4 | 179.3 | 163.2 | 0 | 111.5 | Q62 R107 | Q62-K110 HydrophobicContact CB-CB 4.31Å; R107-K110 PolarHBondContact O-N 3.12Å | ||
| 111 | T | 57.8 | Low | 69 | Low | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -100.6 | -15.9 | -168 | -37.7 | 0 | 0 | 0 | 0 | 113.7 | N67 A69 A108 P113 N168 | N67-T111 PolarHBondContact O-N 3.33Å; A69-T111 VanDerWaalsContact CA-OG1 3.25Å; A69-T111 WeakPolarHBondContact CA-OG1 3.45Å; A69-T111 HydrophobicContact CB-CG2 3.7Å; A69-T111 WeakPolarHBondContact CB-OG1 3.21Å; A69-T111 PolarHBondContact N-OG1 2.89Å; A69-T111 VanDerWaalsContact N-OG1 3.07Å; A108-T111 PolarHBondContact O-OG1 2.83Å; T111-P113 CarbonylContact O-C 3.57Å; T111-N168 WeakPolarHBondContact CG2-ND2 3.25Å; T111-N168 PolarHBondContact O-ND2 3.16Å; T111-N168 VanDerWaalsContact O-ND2 3.15Å | ||
| 112 | F | 57 | Low | 70.1 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -111.1 | 122.2 | -177.6 | -165.5 | -78.2 | 0 | 0 | 0 | 111.1 | G61 Q62 T65 N67 D172 A175 | G61-F112 CarbonylContact C-O 3.49Å; Q62-F112 WeakPolarHBondContact CA-O 3.09Å; Q62-F112 WeakPolarHBondContact CG-O 3.3Å; Q62-F112 PolarHBondContact N-O 2.95Å; T65-F112 HydrophobicContact CG2-CB 3.92Å; T65-F112 HydrophobicContact CG2-CD1 3.58Å; T65-F112 HydrophobicContact CG2-CE1 4.28Å; T65-F112 HydrophobicContact CG2-CG 3.79Å; T65-F112 WeakPolarHBondContact OG1-CD1 3.32Å; N67-F112 HydrophobicContact CB-CB 4.05Å; F112-D172 HydrophobicContact CD2-CB 4.37Å; F112-D172 WeakPolarHBondContact CD2-OD1 3.28Å; F112-A175 HydrophobicContact CE1-CB 4.24Å; F112-A175 HydrophobicContact CE2-CB 4.18Å; F112-A175 HydrophobicContact CZ-CB 3.69Å |
| 113 | P | 62.8 | Low | 71.4 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | S | Bend | cis | -87.9 | 168.1 | -7.6 | 31.3 | -29.9 | 0 | 0 | 0 | 113.5 | V58 Q62 T111 K115 A175 I179 | V58-P113 HydrophobicContact CG1-CG 4.14Å; V58-P113 HydrophobicContact CG2-CG 4.41Å; Q62-P113 PolarHBondContact NE2-O 2.86Å; Q62-P113 VanDerWaalsContact NE2-O 3.12Å; T111-P113 CarbonylContact O-C 3.57Å; P113-K115 PolarHBondContact O-N 3.4Å; P113-A175 HydrophobicContact CB-CB 4.12Å; P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CG-CD1 3.58Å |
| 114 | S | 77.1 | Confident | 72.7 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -71.4 | 110.4 | 178.9 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | A117 A118 D172 | S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 PolarHBondContact OG-N 3.49Å; S114-A118 PolarHBondContact O-N 3.09Å; S114-A118 VanDerWaalsContact O-N 3.08Å; S114-D172 WeakPolarHBondContact CB-O 3.47Å; S114-D172 PolarHBondContact N-O 3.49Å; S114-D172 VanDerWaalsContact N-O 3.09Å | ||
| 115 | K | 81.1 | Confident | 74.1 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 30% | 0.296 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 176.8 | -178.6 | 175.6 | 175.5 | 162 | 0 | 113.2 | D55 V58 P113 A117 A118 L119 | D55-K115 WeakPolarHBondContact OD1-CE 3.27Å; D55-K115 IonicContact OD1-NZ 2.6Å; D55-K115 PolarHBondContact OD1-NZ 3.37Å; V58-K115 HydrophobicContact CG1-CB 3.74Å; V58-K115 HydrophobicContact CG1-CG 4.29Å; P113-K115 PolarHBondContact O-N 3.4Å; K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.4Å; K115-A118 PolarHBondContact O-N 3.4Å; K115-L119 HydrophobicContact CG-CD1 3.87Å; K115-L119 HydrophobicContact CG-CG 4.39Å; K115-L119 WeakPolarHBondContact O-CG 3.44Å; K115-L119 PolarHBondContact O-N 3.36Å |
| 116 | E | 81.2 | Confident | 75.3 | Confident | 107 Ų | 107 | 38.9 Ų | 38.9 | 50% | 0.5 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.1 | -39.6 | -179.6 | -61.9 | -59.2 | 145.3 | 0 | 0 | 111.7 | S120 | E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.86Å |
| 117 | A | 84.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | S114 K115 S120 I121 V173 F177 | S114-A117 PolarHBondContact O-N 3.47Å; S114-A117 PolarHBondContact OG-N 3.49Å; K115-A117 VanDerWaalsContact C-N 3.31Å; K115-A117 PolarHBondContact O-N 3.4Å; A117-S120 PolarHBondContact O-OG 2.92Å; A117-S120 VanDerWaalsContact O-OG 3.11Å; A117-I121 WeakPolarHBondContact O-CG2 3.35Å; A117-I121 PolarHBondContact O-N 2.95Å; A117-V173 HydrophobicContact CB-CG1 4Å; A117-F177 HydrophobicContact CB-CD1 4Å; A117-F177 HydrophobicContact CB-CE1 3.87Å; A117-F177 WeakPolarHBondContact O-CD1 3.15Å; A117-F177 WeakPolarHBondContact O-CE1 3.36Å |
| 118 | A | 86.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V54 V58 S114 K115 I121 Y122 G176 | V54-A118 HydrophobicContact CG1-CB 3.81Å; V58-A118 HydrophobicContact CG2-CB 3.67Å; S114-A118 PolarHBondContact O-N 3.09Å; S114-A118 VanDerWaalsContact O-N 3.08Å; K115-A118 PolarHBondContact O-N 3.4Å; A118-I121 WeakPolarHBondContact O-CG2 3.32Å; A118-Y122 WeakPolarHBondContact O-CB 3.36Å; A118-Y122 PolarHBondContact O-N 2.76Å; A118-G176 VanDerWaalsContact CA-O 3.26Å; A118-G176 WeakPolarHBondContact CA-O 3.35Å; A118-G176 VanDerWaalsContact CB-O 3.29Å; A118-G176 WeakPolarHBondContact CB-O 3.14Å |
| 119 | L | 87 | Confident | 78.8 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 20% | 0.199 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.1 | -38.9 | 177.9 | -67.8 | 174.5 | 0 | 0 | 0 | 111.9 | L51 V54 K115 Y122 A123 | L51-L119 HydrophobicContact CD2-CD2 3.92Å; V54-L119 HydrophobicContact CB-CD2 4.12Å; V54-L119 HydrophobicContact CG1-CD2 3.79Å; V54-L119 HydrophobicContact CG1-CG 4.39Å; K115-L119 HydrophobicContact CG-CD1 3.87Å; K115-L119 HydrophobicContact CG-CG 4.39Å; K115-L119 WeakPolarHBondContact O-CG 3.44Å; K115-L119 PolarHBondContact O-N 3.36Å; L119-Y122 PolarHBondContact O-N 2.92Å; L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.89Å |
| 120 | S | 87.8 | Confident | 79.7 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | -178.5 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | E116 A117 A123 A124 T158 | E116-S120 VanDerWaalsContact O-CB 3.31Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.86Å; A117-S120 PolarHBondContact O-OG 2.92Å; A117-S120 VanDerWaalsContact O-OG 3.11Å; S120-A123 PolarHBondContact O-N 3.41Å; S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 2.99Å; S120-T158 WeakPolarHBondContact CB-OG1 3.36Å; S120-T158 PolarHBondContact OG-OG1 3.25Å |
| 121 | I | 88 | Confident | 80.6 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.2 | -38 | 177.2 | -162.6 | 62.8 | 0 | 0 | 0 | 111.8 | A117 A118 A124 L125 M152 A155 F177 M181 | A117-I121 WeakPolarHBondContact O-CG2 3.35Å; A117-I121 PolarHBondContact O-N 2.95Å; A118-I121 WeakPolarHBondContact O-CG2 3.32Å; I121-A124 PolarHBondContact O-N 3.38Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.11Å; I121-M152 HydrophobicContact CD1-CE 3.79Å; I121-M152 HydrophobicContact CD1-SD 3.96Å; I121-A155 HydrophobicContact CD1-CB 3.83Å; I121-F177 HydrophobicContact CB-CD1 3.77Å; I121-F177 HydrophobicContact CB-CE1 4.23Å; I121-F177 HydrophobicContact CG1-CD1 4.3Å; I121-F177 HydrophobicContact CG2-CD1 4.02Å; I121-M181 HydrophobicContact CD1-SD 3.91Å; I121-M181 HydrophobicContact CG1-CG 3.75Å; I121-M181 HydrophobicContact CG1-SD 3.42Å; I121-M181 WeakPolarHBondContact CG1-SD 3.09Å; I121-M181 HydrophobicContact CG2-CG 4.47Å |
| 122 | Y | 90.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.9 | 169.2 | -95.3 | 0 | 0 | 0 | 110.7 | Y47 G50 L51 V54 A118 L119 A124 L125 Y126 A184 L187 | Y47-Y122 AromaticContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CD2-CE1 3.72Å; Y47-Y122 HydrophobicContact CE2-CD1 4.15Å; Y47-Y122 AromaticContact CE2-CE1 3.56Å; Y47-Y122 HydrophobicContact CE2-CE1 3.56Å; Y47-Y122 PolarHBondContact O-OH 2.94Å; G50-Y122 VanDerWaalsContact CA-OH 3.25Å; G50-Y122 WeakPolarHBondContact CA-OH 3.22Å; L51-Y122 HydrophobicContact CD2-CD1 3.62Å; L51-Y122 HydrophobicContact CD2-CE1 3.65Å; L51-Y122 HydrophobicContact CG-CD1 4.3Å; L51-Y122 HydrophobicContact CG-CE1 3.82Å; V54-Y122 HydrophobicContact CG2-CD2 3.87Å; V54-Y122 HydrophobicContact CG2-CG 3.89Å; A118-Y122 WeakPolarHBondContact O-CB 3.36Å; A118-Y122 PolarHBondContact O-N 2.76Å; L119-Y122 PolarHBondContact O-N 2.92Å; Y122-A124 PolarHBondContact O-N 3.37Å; Y122-L125 PolarHBondContact O-N 2.9Å; Y122-Y126 WeakPolarHBondContact O-CB 3.46Å; Y122-Y126 PolarHBondContact O-N 3.47Å; Y122-A184 HydrophobicContact CD2-CB 3.78Å; Y122-A184 HydrophobicContact CE2-CB 4.35Å; Y122-L187 HydrophobicContact CE2-CD1 3.75Å |
| 123 | A | 87.6 | Confident | 82 | Confident | 28 Ų | 28 | 32.1 Ų | 32.1 | 23% | 0.231 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y47 L119 S120 Y126 L127 | Y47-A123 HydrophobicContact CE2-CB 4.48Å; Y47-A123 WeakPolarHBondContact OH-CB 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.43Å; L119-A123 PolarHBondContact O-N 2.89Å; S120-A123 PolarHBondContact O-N 3.41Å; A123-Y126 PolarHBondContact O-N 3.21Å; A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.3Å |
| 124 | A | 87.3 | Confident | 82.2 | Confident | 8 Ų | 8 | 34.3 Ų | 34.3 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S120 I121 Y122 A128 F151 A155 | S120-A124 WeakPolarHBondContact O-CB 3.45Å; S120-A124 PolarHBondContact O-N 2.99Å; I121-A124 PolarHBondContact O-N 3.38Å; Y122-A124 PolarHBondContact O-N 3.37Å; A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-F151 HydrophobicContact CB-CB 4.07Å; A124-F151 VanDerWaalsContact CB-O 3.3Å; A124-F151 WeakPolarHBondContact CB-O 3.48Å; A124-A155 HydrophobicContact CB-CB 3.61Å |
| 125 | L | 87.6 | Confident | 81.7 | Confident | 38 Ų | 38 | 34.6 Ų | 34.6 | 20% | 0.199 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.4 | -79.1 | -177.1 | 0 | 0 | 0 | 112.4 | I121 Y122 L127 A128 M129 M152 M181 A184 | I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 WeakPolarHBondContact O-CG 3.1Å; I121-L125 PolarHBondContact O-N 3.11Å; Y122-L125 PolarHBondContact O-N 2.9Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.08Å; L125-M129 WeakPolarHBondContact O-CB 3.38Å; L125-M129 PolarHBondContact O-N 2.93Å; L125-M152 HydrophobicContact CD2-CE 4.3Å; L125-M152 HydrophobicContact CD2-SD 3.63Å; L125-M152 HydrophobicContact CG-SD 4.21Å; L125-M181 HydrophobicContact CD1-CB 4.49Å; L125-M181 HydrophobicContact CD1-CE 3.78Å; L125-M181 HydrophobicContact CD1-CG 4.37Å; L125-M181 HydrophobicContact CD1-SD 3.3Å; L125-M181 WeakPolarHBondContact CD1-SD 3.25Å; L125-M181 HydrophobicContact CD2-CE 4.24Å; L125-M181 HydrophobicContact CD2-SD 4.13Å; L125-M181 HydrophobicContact CG-CE 4.49Å; L125-M181 HydrophobicContact CG-SD 3.87Å; L125-A184 HydrophobicContact CB-CB 3.97Å; L125-A184 HydrophobicContact CD1-CB 3.44Å; L125-A184 VanDerWaalsContact CD1-CB 3.44Å; L125-A184 HydrophobicContact CG-CB 4.4Å |
| 126 | Y | 85.4 | Confident | 80.6 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 9% | 0.086 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.8 | -168.1 | -89.3 | 0 | 0 | 0 | 111.2 | F43 V46 Y47 Y122 A123 M129 Y130 | F43-Y126 PolarHBondContact O-OH 2.94Å; V46-Y126 HydrophobicContact CG1-CE2 4.08Å; Y47-Y126 AromaticContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD1 3.38Å; Y47-Y126 HydrophobicContact CD2-CD2 4.3Å; Y47-Y126 AromaticContact CD2-CE1 3.82Å; Y47-Y126 HydrophobicContact CD2-CE1 3.82Å; Y47-Y126 AromaticContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CD2-CG 3.65Å; Y47-Y126 HydrophobicContact CE2-CD1 4.14Å; Y47-Y126 HydrophobicContact CE2-CG 4.3Å; Y47-Y126 HydrophobicContact CG-CD1 4.09Å; Y47-Y126 HydrophobicContact CG-CE1 4.07Å; Y122-Y126 WeakPolarHBondContact O-CB 3.46Å; Y122-Y126 PolarHBondContact O-N 3.47Å; A123-Y126 PolarHBondContact O-N 3.21Å; Y126-M129 PolarHBondContact O-N 3.02Å; Y126-Y130 WeakPolarHBondContact O-CB 3.29Å; Y126-Y130 PolarHBondContact O-N 3.14Å |
| 127 | L | 84.1 | Confident | 79.4 | Confident | 69 Ų | 69 | 35.5 Ų | 35.5 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -69.9 | -41.1 | 178.4 | -170.8 | 57.4 | 0 | 0 | 0 | 112 | A123 L125 M129 Y130 V131 F151 | A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.3Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 2.82Å; L127-Y130 HydrophobicContact CD1-CD1 4.47Å; L127-Y130 PolarHBondContact O-N 3.31Å; L127-V131 HydrophobicContact CD1-CG2 4.23Å; L127-V131 HydrophobicContact CG-CG2 4.42Å; L127-V131 WeakPolarHBondContact O-CB 3.26Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 3.45Å; L127-F151 HydrophobicContact CD2-CD1 3.7Å; L127-F151 HydrophobicContact CD2-CE1 3.23Å; L127-F151 HydrophobicContact CD2-CE2 4.4Å; L127-F151 HydrophobicContact CD2-CG 4.47Å; L127-F151 HydrophobicContact CD2-CZ 3.64Å; L127-F151 HydrophobicContact CG-CD1 4.22Å; L127-F151 HydrophobicContact CG-CD2 4.45Å; L127-F151 HydrophobicContact CG-CE1 3.81Å; L127-F151 HydrophobicContact CG-CE2 4.06Å; L127-F151 HydrophobicContact CG-CZ 3.72Å |
| 128 | A | 84.1 | Confident | 77.9 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A124 L125 T132 F151 | A124-A128 WeakPolarHBondContact O-CB 3.32Å; A124-A128 PolarHBondContact O-N 3.26Å; L125-A128 PolarHBondContact O-N 3.08Å; A128-T132 VanDerWaalsContact O-CB 3.29Å; A128-T132 WeakPolarHBondContact O-CB 3.5Å; A128-T132 PolarHBondContact O-N 3.35Å; A128-T132 PolarHBondContact O-OG1 2.81Å; A128-F151 HydrophobicContact CB-CB 4.48Å; A128-F151 HydrophobicContact CB-CD2 4.19Å |
| 129 | M | 82.6 | Confident | 76.4 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -54.6 | 172.4 | 177.8 | -82.9 | -179.7 | 0 | 0 | 110.4 | L125 Y126 L127 V131 T132 F133 V188 V192 | L125-M129 WeakPolarHBondContact O-CB 3.38Å; L125-M129 PolarHBondContact O-N 2.93Å; Y126-M129 PolarHBondContact O-N 3.02Å; L127-M129 VanDerWaalsContact C-N 3.3Å; L127-M129 PolarHBondContact O-N 2.82Å; M129-V131 VanDerWaalsContact C-N 3.34Å; M129-V131 PolarHBondContact O-N 3.37Å; M129-T132 WeakPolarHBondContact O-CA 3.37Å; M129-T132 WeakPolarHBondContact O-CB 3.34Å; M129-T132 PolarHBondContact O-N 2.82Å; M129-F133 HydrophobicContact CE-CD2 3.21Å; M129-F133 HydrophobicContact CE-CE2 3.15Å; M129-F133 HydrophobicContact CE-CG 4.14Å; M129-F133 HydrophobicContact CE-CZ 4.03Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.74Å; M129-F133 VanDerWaalsContact O-CD2 3.24Å; M129-F133 WeakPolarHBondContact O-CD2 3.49Å; M129-F133 PolarHBondContact O-N 2.9Å; M129-F133 VanDerWaalsContact O-N 3.09Å; M129-F133 HydrophobicContact SD-CD2 3.59Å; M129-F133 VanDerWaalsContact SD-CD2 3.59Å; M129-F133 HydrophobicContact SD-CE2 3.91Å; M129-V188 HydrophobicContact CG-CG1 4.27Å; M129-V188 HydrophobicContact CG-CG2 4.26Å; M129-V192 HydrophobicContact CE-CB 4.04Å; M129-V192 HydrophobicContact CE-CG1 3.55Å; M129-V192 HydrophobicContact CE-CG2 3.27Å |
| 130 | Y | 78.8 | Confident | 75.1 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.7 | -51 | -177.8 | 178.9 | -100.8 | 0 | 0 | 0 | 111.8 | F43 Y126 L127 T132 F133 T134 | F43-Y130 HydrophobicContact CD1-CD2 4.32Å; F43-Y130 HydrophobicContact CD2-CE2 4.2Å; F43-Y130 HydrophobicContact CG-CD2 4.3Å; F43-Y130 HydrophobicContact CG-CE2 4.21Å; Y126-Y130 WeakPolarHBondContact O-CB 3.29Å; Y126-Y130 PolarHBondContact O-N 3.14Å; L127-Y130 HydrophobicContact CD1-CD1 4.47Å; L127-Y130 PolarHBondContact O-N 3.31Å; Y130-T132 VanDerWaalsContact C-N 3.3Å; Y130-T132 PolarHBondContact O-N 3.06Å; Y130-F133 PolarHBondContact O-N 2.89Å; Y130-T134 HydrophobicContact CD1-CG2 4.1Å; Y130-T134 HydrophobicContact CD2-CG2 4.15Å; Y130-T134 HydrophobicContact CE1-CG2 3.68Å; Y130-T134 HydrophobicContact CE2-CG2 3.73Å; Y130-T134 HydrophobicContact CG-CG2 4.33Å; Y130-T134 VanDerWaalsContact CZ-CG2 3.47Å; Y130-T134 WeakPolarHBondContact O-CG2 3.44Å; Y130-T134 PolarHBondContact O-N 3.41Å; Y130-T134 PolarHBondContact O-OG1 3.22Å |
| 131 | V | 74.4 | Confident | 74.1 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 111.6 | L127 M129 F133 T134 V135 M147 F151 | L127-V131 HydrophobicContact CD1-CG2 4.23Å; L127-V131 HydrophobicContact CG-CG2 4.42Å; L127-V131 WeakPolarHBondContact O-CB 3.26Å; L127-V131 VanDerWaalsContact O-CG2 3.27Å; L127-V131 WeakPolarHBondContact O-CG2 3.34Å; L127-V131 PolarHBondContact O-N 3.45Å; M129-V131 VanDerWaalsContact C-N 3.34Å; M129-V131 PolarHBondContact O-N 3.37Å; V131-F133 PolarHBondContact O-N 2.95Å; V131-T134 PolarHBondContact O-N 2.76Å; V131-V135 HydrophobicContact CG1-CG2 3.79Å; V131-V135 WeakPolarHBondContact O-CB 3.22Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.44Å; V131-V135 PolarHBondContact O-N 3.11Å; V131-M147 HydrophobicContact CG1-CB 4.27Å; V131-M147 HydrophobicContact CG1-CE 3.2Å; V131-M147 HydrophobicContact CG1-SD 4.01Å; V131-F151 HydrophobicContact CB-CE2 4.37Å; V131-F151 HydrophobicContact CG2-CE2 3.93Å; V131-F151 HydrophobicContact CG2-CZ 4.25Å |
| 132 | T | 75.1 | Confident | 73.2 | Confident | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | A128 M129 Y130 K144 | A128-T132 VanDerWaalsContact O-CB 3.29Å; A128-T132 WeakPolarHBondContact O-CB 3.5Å; A128-T132 PolarHBondContact O-N 3.35Å; A128-T132 PolarHBondContact O-OG1 2.81Å; M129-T132 WeakPolarHBondContact O-CA 3.37Å; M129-T132 WeakPolarHBondContact O-CB 3.34Å; M129-T132 PolarHBondContact O-N 2.82Å; Y130-T132 VanDerWaalsContact C-N 3.3Å; Y130-T132 PolarHBondContact O-N 3.06Å; T132-K144 HydrophobicContact CG2-CD 4.48Å; T132-K144 PolarHBondContact O-NZ 2.96Å |
| 133 | F | 69.8 | Low | 72.2 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 41% | 0.408 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -85.5 | -35.5 | 178.7 | -80.2 | -79 | 0 | 0 | 0 | 114.1 | M129 Y130 V131 V192 | M129-F133 HydrophobicContact CE-CD2 3.21Å; M129-F133 HydrophobicContact CE-CE2 3.15Å; M129-F133 HydrophobicContact CE-CG 4.14Å; M129-F133 HydrophobicContact CE-CZ 4.03Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.74Å; M129-F133 VanDerWaalsContact O-CD2 3.24Å; M129-F133 WeakPolarHBondContact O-CD2 3.49Å; M129-F133 PolarHBondContact O-N 2.9Å; M129-F133 VanDerWaalsContact O-N 3.09Å; M129-F133 HydrophobicContact SD-CD2 3.59Å; M129-F133 VanDerWaalsContact SD-CD2 3.59Å; M129-F133 HydrophobicContact SD-CE2 3.91Å; Y130-F133 PolarHBondContact O-N 2.89Å; V131-F133 PolarHBondContact O-N 2.95Å; F133-V192 HydrophobicContact CE2-CG1 4.49Å; F133-V192 HydrophobicContact CZ-CG1 4.21Å |
| 134 | T | 67.5 | Low | 71.3 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.2 | -38.3 | 179.7 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | Y130 V131 Q136 | Y130-T134 HydrophobicContact CD1-CG2 4.1Å; Y130-T134 HydrophobicContact CD2-CG2 4.15Å; Y130-T134 HydrophobicContact CE1-CG2 3.68Å; Y130-T134 HydrophobicContact CE2-CG2 3.73Å; Y130-T134 HydrophobicContact CG-CG2 4.33Å; Y130-T134 VanDerWaalsContact CZ-CG2 3.47Å; Y130-T134 WeakPolarHBondContact O-CG2 3.44Å; Y130-T134 PolarHBondContact O-N 3.41Å; Y130-T134 PolarHBondContact O-OG1 3.22Å; V131-T134 PolarHBondContact O-N 2.76Å; T134-Q136 PolarHBondContact O-N 3.47Å |
| 135 | V | 66.1 | Low | 70.7 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | trans | -79.2 | 94.4 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | V131 A137 K144 M147 | V131-V135 HydrophobicContact CG1-CG2 3.79Å; V131-V135 WeakPolarHBondContact O-CB 3.22Å; V131-V135 VanDerWaalsContact O-CG2 3.28Å; V131-V135 WeakPolarHBondContact O-CG2 3.44Å; V131-V135 PolarHBondContact O-N 3.11Å; V135-A137 VanDerWaalsContact C-N 3.25Å; V135-A137 HydrophobicContact CG1-CB 4.05Å; V135-A137 PolarHBondContact O-N 2.83Å; V135-A137 VanDerWaalsContact O-N 3.11Å; V135-K144 WeakPolarHBondContact O-CE 3.35Å; V135-K144 PolarHBondContact O-NZ 3.3Å; V135-M147 HydrophobicContact CG1-CE 4.37Å; V135-M147 HydrophobicContact CG2-CE 3.92Å | ||
| 136 | Q | 56.6 | Low | 70.3 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 74% | 0.738 | 40% | 0.397 | S | S | * | . | trans | -80.3 | 76 | 162.9 | -66.8 | -170.4 | -3 | 0 | 0 | 109.1 | T134 K138 | T134-Q136 PolarHBondContact O-N 3.47Å; Q136-K138 PolarHBondContact O-N 3.28Å | ||
| 137 | A | 56.1 | Low | 69.6 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 30% | 0.298 | 40% | 0.401 | S | S | . | . | trans | -68 | 94.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | V135 G139 | V135-A137 VanDerWaalsContact C-N 3.25Å; V135-A137 HydrophobicContact CG1-CB 4.05Å; V135-A137 PolarHBondContact O-N 2.83Å; V135-A137 VanDerWaalsContact O-N 3.11Å; A137-G139 PolarHBondContact O-N 2.8Å; A137-G139 VanDerWaalsContact O-N 3.13Å | ||
| 138 | K | 54.3 | Low | 69.4 | Low | 204 Ų | 204 | 75 Ų | 75 | 89% | 0.887 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -67.2 | -1.9 | 177.4 | -78.7 | -179.1 | 175 | 178.5 | 0 | 114.5 | Q136 | Q136-K138 PolarHBondContact O-N 3.28Š|
| 139 | G | 54 | Low | 69.2 | Low | 74 Ų | 74 | 80.1 Ų | 80.1 | 76% | 0.763 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -144.1 | -15.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | A137 | A137-G139 PolarHBondContact O-N 2.8Å; A137-G139 VanDerWaalsContact O-N 3.13Å |
| 140 | T | 60.8 | Low | 69.1 | Low | 82 Ų | 82 | 80.7 Ų | 80.7 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -126.1 | 89.9 | -176.7 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | L142 A143 | T140-L142 PolarHBondContact O-N 2.79Å; T140-A143 PolarHBondContact O-N 3.44Å; T140-A143 VanDerWaalsContact O-N 3.1Å; T140-A143 WeakPolarHBondContact OG1-CB 3.22Å | ||
| 141 | R | 65.6 | Low | 69.3 | Low | 249 Ų | 249 | 78.3 Ų | 78.3 | 94% | 0.94 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -24.9 | 173.7 | -78 | -178.4 | 162.7 | -129.1 | -0.8 | 112.9 | ||
| 142 | L | 69.5 | Low | 69.7 | Low | 125 Ų | 125 | 80.3 Ų | 80.3 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -15.1 | -178.2 | -157.7 | 66.4 | 0 | 0 | 0 | 114.5 | T140 K144 P145 V146 | T140-L142 PolarHBondContact O-N 2.79Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.31Å; L142-P145 HydrophobicContact CD1-CG 4.17Å; L142-P145 VanDerWaalsContact O-CD 3.25Å; L142-P145 WeakPolarHBondContact O-CD 3.45Å; L142-P145 VanDerWaalsContact O-CG 3.32Å; L142-P145 WeakPolarHBondContact O-CG 3.34Å; L142-V146 HydrophobicContact CD2-CG2 4.46Å; L142-V146 HydrophobicContact CG-CG2 3.95Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 2.91Å |
| 143 | A | 68.9 | Low | 70 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 22% | 0.223 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.1 | -34.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T140 M147 | T140-A143 PolarHBondContact O-N 3.44Å; T140-A143 VanDerWaalsContact O-N 3.1Å; T140-A143 WeakPolarHBondContact OG1-CB 3.22Å; A143-M147 WeakPolarHBondContact O-CB 3.41Å; A143-M147 WeakPolarHBondContact O-CG 3.15Å; A143-M147 PolarHBondContact O-N 3.01Å |
| 144 | K | 68.9 | Low | 70.6 | Confident | 74 Ų | 74 | 80 Ų | 80 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -56.7 | 178.5 | -63.1 | -169.9 | 176.7 | -148.1 | 0 | 113.2 | T132 V135 L142 V146 M147 S148 | T132-K144 HydrophobicContact CG2-CD 4.48Å; T132-K144 PolarHBondContact O-NZ 2.96Å; V135-K144 WeakPolarHBondContact O-CE 3.35Å; V135-K144 PolarHBondContact O-NZ 3.3Å; L142-K144 VanDerWaalsContact C-N 3.32Å; L142-K144 PolarHBondContact O-N 3.31Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.34Å; K144-M147 PolarHBondContact O-N 3.49Å; K144-S148 PolarHBondContact O-N 3.01Å |
| 145 | P | 75.8 | Confident | 71.4 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 179.5 | 24.8 | -34.8 | 0 | 0 | 0 | 112.6 | L142 S148 L149 | L142-P145 HydrophobicContact CD1-CG 4.17Å; L142-P145 VanDerWaalsContact O-CD 3.25Å; L142-P145 WeakPolarHBondContact O-CD 3.45Å; L142-P145 VanDerWaalsContact O-CG 3.32Å; L142-P145 WeakPolarHBondContact O-CG 3.34Å; P145-S148 PolarHBondContact O-N 2.85Å; P145-L149 VanDerWaalsContact O-CB 3.25Å; P145-L149 WeakPolarHBondContact O-CB 3.29Å; P145-L149 PolarHBondContact O-N 3.48Å |
| 146 | V | 78.1 | Confident | 72.2 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | L142 K144 L149 G150 | L142-V146 HydrophobicContact CD2-CG2 4.46Å; L142-V146 HydrophobicContact CG-CG2 3.95Å; L142-V146 WeakPolarHBondContact O-CB 3.39Å; L142-V146 WeakPolarHBondContact O-CG2 3.3Å; L142-V146 PolarHBondContact O-N 2.91Å; K144-V146 VanDerWaalsContact C-N 3.31Å; K144-V146 PolarHBondContact O-N 3.34Å; V146-L149 PolarHBondContact O-N 3.26Å; V146-G150 PolarHBondContact O-N 3.36Å |
| 147 | M | 71.4 | Confident | 73.4 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 176.3 | -72.9 | -149.8 | -75.6 | 0 | 0 | 112.2 | Y13 V131 V135 A143 K144 L149 G150 F151 | Y13-M147 HydrophobicContact CE1-CE 4.12Å; Y13-M147 HydrophobicContact CE1-SD 4.22Å; V131-M147 HydrophobicContact CG1-CB 4.27Å; V131-M147 HydrophobicContact CG1-CE 3.2Å; V131-M147 HydrophobicContact CG1-SD 4.01Å; V135-M147 HydrophobicContact CG1-CE 4.37Å; V135-M147 HydrophobicContact CG2-CE 3.92Å; A143-M147 WeakPolarHBondContact O-CB 3.41Å; A143-M147 WeakPolarHBondContact O-CG 3.15Å; A143-M147 PolarHBondContact O-N 3.01Å; K144-M147 PolarHBondContact O-N 3.49Å; M147-L149 VanDerWaalsContact C-N 3.32Å; M147-L149 PolarHBondContact O-N 3.07Å; M147-G150 PolarHBondContact O-N 2.88Å; M147-F151 HydrophobicContact CB-CE2 4.38Å; M147-F151 WeakPolarHBondContact O-CD2 3.42Å; M147-F151 PolarHBondContact O-N 3.34Å |
| 148 | S | 78.8 | Confident | 74.5 | Confident | 41 Ų | 41 | 80.6 Ų | 80.6 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 173.6 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | K144 P145 G150 F151 M152 | K144-S148 PolarHBondContact O-N 3.01Å; P145-S148 PolarHBondContact O-N 2.85Å; S148-G150 VanDerWaalsContact C-N 3.33Å; S148-F151 PolarHBondContact O-N 3.48Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.28Å; S148-M152 VanDerWaalsContact O-N 3.12Å |
| 149 | L | 80.1 | Confident | 75.6 | Confident | 112 Ų | 112 | 70.9 Ų | 70.9 | 59% | 0.586 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.3 | -40.4 | 177.7 | -175.9 | 64.4 | 0 | 0 | 0 | 111.1 | P145 V146 M147 F151 M152 C153 | P145-L149 VanDerWaalsContact O-CB 3.25Å; P145-L149 WeakPolarHBondContact O-CB 3.29Å; P145-L149 PolarHBondContact O-N 3.48Å; V146-L149 PolarHBondContact O-N 3.26Å; M147-L149 VanDerWaalsContact C-N 3.32Å; M147-L149 PolarHBondContact O-N 3.07Å; L149-F151 PolarHBondContact O-N 3.32Å; L149-M152 PolarHBondContact O-N 2.6Å; L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 3.09Å; L149-C153 PolarHBondContact O-SG 3.4Å |
| 150 | G | 81.8 | Confident | 76.7 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V146 M147 S148 M152 C153 L154 | V146-G150 PolarHBondContact O-N 3.36Å; M147-G150 PolarHBondContact O-N 2.88Å; S148-G150 VanDerWaalsContact C-N 3.33Å; G150-M152 PolarHBondContact O-N 2.79Å; G150-C153 PolarHBondContact O-N 3.22Å; G150-L154 WeakPolarHBondContact O-CG 3.48Å; G150-L154 PolarHBondContact O-N 3.49Å |
| 151 | F | 82.3 | Confident | 77.5 | Confident | 20 Ų | 20 | 71.7 Ų | 71.7 | 9% | 0.088 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 177.1 | -67 | -57.5 | 0 | 0 | 0 | 112.5 | L10 A124 L127 A128 V131 M147 S148 L149 L154 A155 | L10-F151 HydrophobicContact CD1-CE1 4.49Å; L10-F151 HydrophobicContact CD2-CE1 3.96Å; L10-F151 HydrophobicContact CD2-CZ 3.79Å; A124-F151 HydrophobicContact CB-CB 4.07Å; A124-F151 VanDerWaalsContact CB-O 3.3Å; A124-F151 WeakPolarHBondContact CB-O 3.48Å; L127-F151 HydrophobicContact CD2-CD1 3.7Å; L127-F151 HydrophobicContact CD2-CE1 3.23Å; L127-F151 HydrophobicContact CD2-CE2 4.4Å; L127-F151 HydrophobicContact CD2-CG 4.47Å; L127-F151 HydrophobicContact CD2-CZ 3.64Å; L127-F151 HydrophobicContact CG-CD1 4.22Å; L127-F151 HydrophobicContact CG-CD2 4.45Å; L127-F151 HydrophobicContact CG-CE1 3.81Å; L127-F151 HydrophobicContact CG-CE2 4.06Å; L127-F151 HydrophobicContact CG-CZ 3.72Å; A128-F151 HydrophobicContact CB-CB 4.48Å; A128-F151 HydrophobicContact CB-CD2 4.19Å; V131-F151 HydrophobicContact CB-CE2 4.37Å; V131-F151 HydrophobicContact CG2-CE2 3.93Å; V131-F151 HydrophobicContact CG2-CZ 4.25Å; M147-F151 HydrophobicContact CB-CE2 4.38Å; M147-F151 WeakPolarHBondContact O-CD2 3.42Å; M147-F151 PolarHBondContact O-N 3.34Å; S148-F151 PolarHBondContact O-N 3.48Å; L149-F151 PolarHBondContact O-N 3.32Å; F151-L154 PolarHBondContact O-N 3.44Å; F151-A155 PolarHBondContact O-N 3.26Å |
| 152 | M | 82.2 | Confident | 77.9 | Confident | 57 Ų | 57 | 62.5 Ų | 62.5 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 176.7 | -68.9 | -64.4 | -70.1 | 0 | 0 | 112.1 | I121 L125 S148 L149 G150 L154 A155 F156 M181 | I121-M152 HydrophobicContact CD1-CE 3.79Å; I121-M152 HydrophobicContact CD1-SD 3.96Å; L125-M152 HydrophobicContact CD2-CE 4.3Å; L125-M152 HydrophobicContact CD2-SD 3.63Å; L125-M152 HydrophobicContact CG-SD 4.21Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.28Å; S148-M152 VanDerWaalsContact O-N 3.12Å; L149-M152 PolarHBondContact O-N 2.6Å; G150-M152 PolarHBondContact O-N 2.79Å; M152-L154 VanDerWaalsContact C-N 3.35Å; M152-L154 PolarHBondContact O-N 3.03Å; M152-A155 PolarHBondContact O-N 3.12Å; M152-F156 WeakPolarHBondContact O-CB 3.39Å; M152-F156 PolarHBondContact O-N 2.88Å; M152-M181 HydrophobicContact CE-SD 4.34Å |
| 153 | C | 82.3 | Confident | 78.1 | Confident | 60 Ų | 60 | 59 Ų | 59 | 41% | 0.405 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.8 | -73.8 | 0 | 0 | 0 | 0 | 111.6 | L149 G150 F156 L157 | L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 3.09Å; L149-C153 PolarHBondContact O-SG 3.4Å; G150-C153 PolarHBondContact O-N 3.22Å; C153-F156 PolarHBondContact O-N 3.25Å; C153-L157 WeakPolarHBondContact O-CB 3Å; C153-L157 VanDerWaalsContact O-CG 3.24Å; C153-L157 WeakPolarHBondContact O-CG 3.41Å; C153-L157 PolarHBondContact O-N 3.15Å |
| 154 | L | 81.4 | Confident | 78.1 | Confident | 78 Ų | 78 | 61 Ų | 61 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.3 | -70.6 | 172.7 | 0 | 0 | 0 | 111.5 | L10 G150 F151 M152 F156 L157 T158 | L10-L154 HydrophobicContact CD1-CD1 4.5Å; G150-L154 WeakPolarHBondContact O-CG 3.48Å; G150-L154 PolarHBondContact O-N 3.49Å; F151-L154 PolarHBondContact O-N 3.44Å; M152-L154 VanDerWaalsContact C-N 3.35Å; M152-L154 PolarHBondContact O-N 3.03Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.39Å; L154-L157 PolarHBondContact O-N 3.1Å; L154-T158 WeakPolarHBondContact O-CG2 3.35Å; L154-T158 PolarHBondContact O-N 3.1Å |
| 155 | A | 83.5 | Confident | 78.1 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I121 A124 F151 M152 L157 T158 G159 | I121-A155 HydrophobicContact CD1-CB 3.83Å; A124-A155 HydrophobicContact CB-CB 3.61Å; F151-A155 PolarHBondContact O-N 3.26Å; M152-A155 PolarHBondContact O-N 3.12Å; A155-L157 PolarHBondContact O-N 2.92Å; A155-T158 PolarHBondContact O-N 2.93Å; A155-T158 PolarHBondContact O-OG1 3.22Å; A155-G159 PolarHBondContact O-N 3.46Å |
| 156 | F | 83.6 | Confident | 77.4 | Confident | 112 Ų | 112 | 67.4 Ų | 67.4 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 178.3 | -166.5 | -109.8 | 0 | 0 | 0 | 112.3 | M152 C153 L154 T158 G159 L160 F177 | M152-F156 WeakPolarHBondContact O-CB 3.39Å; M152-F156 PolarHBondContact O-N 2.88Å; C153-F156 PolarHBondContact O-N 3.25Å; L154-F156 VanDerWaalsContact C-N 3.34Å; L154-F156 PolarHBondContact O-N 3.39Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.62Å; F156-G159 PolarHBondContact O-N 3.3Å; F156-G159 VanDerWaalsContact O-N 3.1Å; F156-L160 HydrophobicContact CD1-CD1 3.64Å; F156-L160 HydrophobicContact CD1-CG 3.93Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CD2 3.97Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD1 4.42Å; F156-L160 HydrophobicContact CZ-CD2 4.1Å; F156-L160 HydrophobicContact CZ-CG 4.24Å; F156-L160 PolarHBondContact O-N 2.75Å; F156-F177 AromaticContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CZ 4.26Å; F156-F177 HydrophobicContact CE2-CE2 4.12Å |
| 157 | L | 82.6 | Confident | 76.5 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 175.5 | -72.9 | 171.4 | 0 | 0 | 0 | 112.3 | C153 L154 A155 G159 L160 N161 | C153-L157 WeakPolarHBondContact O-CB 3Å; C153-L157 VanDerWaalsContact O-CG 3.24Å; C153-L157 WeakPolarHBondContact O-CG 3.41Å; C153-L157 PolarHBondContact O-N 3.15Å; L154-L157 PolarHBondContact O-N 3.1Å; A155-L157 PolarHBondContact O-N 2.92Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.44Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L157-L160 PolarHBondContact O-N 2.73Å; L157-N161 WeakPolarHBondContact O-CB 2.88Å; L157-N161 VanDerWaalsContact O-CG 3.26Å; L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 PolarHBondContact O-ND2 3.49Å |
| 158 | T | 79.7 | Confident | 76.1 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 173.9 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | S120 L154 A155 F156 R162 | S120-T158 WeakPolarHBondContact CB-OG1 3.36Å; S120-T158 PolarHBondContact OG-OG1 3.25Å; L154-T158 WeakPolarHBondContact O-CG2 3.35Å; L154-T158 PolarHBondContact O-N 3.1Å; A155-T158 PolarHBondContact O-N 2.93Å; A155-T158 PolarHBondContact O-OG1 3.22Å; F156-T158 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 2.62Å; T158-R162 WeakPolarHBondContact O-CG 3.15Å; T158-R162 PolarHBondContact O-N 2.83Å |
| 159 | G | 76.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A155 F156 L157 N161 R162 V163 | A155-G159 PolarHBondContact O-N 3.46Å; F156-G159 PolarHBondContact O-N 3.3Å; F156-G159 VanDerWaalsContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.44Å; G159-N161 VanDerWaalsContact C-N 3.35Å; G159-N161 PolarHBondContact O-N 2.8Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.49Å; G159-R162 VanDerWaalsContact O-N 3.13Å; G159-V163 PolarHBondContact O-N 3.43Å |
| 160 | L | 78.3 | Confident | 75.4 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.2 | -72.1 | -179.1 | 0 | 0 | 0 | 112.3 | F156 L157 R162 V163 A164 | F156-L160 HydrophobicContact CD1-CD1 3.64Å; F156-L160 HydrophobicContact CD1-CG 3.93Å; F156-L160 HydrophobicContact CE1-CD1 3.48Å; F156-L160 VanDerWaalsContact CE1-CD1 3.48Å; F156-L160 HydrophobicContact CE1-CD2 3.97Å; F156-L160 HydrophobicContact CE1-CG 3.73Å; F156-L160 HydrophobicContact CZ-CD1 4.42Å; F156-L160 HydrophobicContact CZ-CD2 4.1Å; F156-L160 HydrophobicContact CZ-CG 4.24Å; F156-L160 PolarHBondContact O-N 2.75Å; L157-L160 HydrophobicContact CD2-CD1 4.41Å; L157-L160 PolarHBondContact O-N 2.73Å; L160-R162 PolarHBondContact O-N 3.38Å; L160-V163 PolarHBondContact O-N 3.13Å; L160-V163 VanDerWaalsContact O-N 3.12Å; L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 3.03Å |
| 161 | N | 77.1 | Confident | 75.2 | Confident | 90 Ų | 90 | 75.9 Ų | 75.9 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.5 | -34.9 | 175.7 | -78.3 | -24 | 0 | 0 | 0 | 111.8 | L157 G159 A164 E165 | L157-N161 WeakPolarHBondContact O-CB 2.88Å; L157-N161 VanDerWaalsContact O-CG 3.26Å; L157-N161 PolarHBondContact O-N 3.21Å; L157-N161 PolarHBondContact O-ND2 3.49Å; G159-N161 VanDerWaalsContact C-N 3.35Å; G159-N161 PolarHBondContact O-N 2.8Å; N161-A164 PolarHBondContact O-N 3.34Å; N161-E165 WeakPolarHBondContact O-CB 3.41Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 3.4Å |
| 162 | R | 73.1 | Confident | 74.9 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 175.4 | -71.5 | -68 | 98.2 | 107.1 | -0.2 | 113.3 | T158 G159 L160 E165 R167 V173 | T158-R162 WeakPolarHBondContact O-CG 3.15Å; T158-R162 PolarHBondContact O-N 2.83Å; G159-R162 WeakPolarHBondContact O-CB 3.31Å; G159-R162 PolarHBondContact O-N 3.49Å; G159-R162 VanDerWaalsContact O-N 3.13Å; L160-R162 PolarHBondContact O-N 3.38Å; R162-E165 IonicContact CZ-OE2 3.32Å; R162-E165 IonicContact NE-OE2 3.19Å; R162-E165 PolarHBondContact NE-OE2 3.18Å; R162-E165 IonicContact NH2-OE1 3.3Å; R162-E165 PolarHBondContact NH2-OE1 2.86Å; R162-E165 IonicContact NH2-OE2 2.71Å; R162-E165 PolarHBondContact NH2-OE2 3.32Å; R162-R167 PolarHBondContact O-N 2.87Å; R162-V173 HydrophobicContact CB-CG2 4.49Å |
| 163 | V | 73.6 | Confident | 74.7 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -71.9 | -42.8 | 172.2 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | G159 L160 E165 Y166 W170 V173 | G159-V163 PolarHBondContact O-N 3.43Å; L160-V163 PolarHBondContact O-N 3.13Å; L160-V163 VanDerWaalsContact O-N 3.12Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.45Å; V163-Y166 PolarHBondContact O-N 3.37Å; V163-W170 HydrophobicContact CG1-CB 4.47Å; V163-W170 HydrophobicContact CG2-CB 4.47Å; V163-V173 HydrophobicContact CG2-CB 4.32Å; V163-V173 HydrophobicContact CG2-CG2 3.77Å |
| 164 | A | 69.6 | Low | 74.7 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64 | -33.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L160 N161 Y166 | L160-A164 WeakPolarHBondContact O-CB 3.18Å; L160-A164 PolarHBondContact O-N 3.03Å; N161-A164 PolarHBondContact O-N 3.34Å; A164-Y166 PolarHBondContact O-N 2.88Å |
| 165 | E | 69.3 | Low | 74.8 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 6.4 | 173.3 | -72.2 | 173.8 | -174.7 | 0 | 0 | 113.6 | N161 R162 V163 R167 | N161-E165 WeakPolarHBondContact O-CB 3.41Å; N161-E165 WeakPolarHBondContact O-CG 3.44Å; N161-E165 PolarHBondContact O-N 3.4Å; R162-E165 IonicContact CZ-OE2 3.32Å; R162-E165 IonicContact NE-OE2 3.19Å; R162-E165 PolarHBondContact NE-OE2 3.18Å; R162-E165 IonicContact NH2-OE1 3.3Å; R162-E165 PolarHBondContact NH2-OE1 2.86Å; R162-E165 IonicContact NH2-OE2 2.71Å; R162-E165 PolarHBondContact NH2-OE2 3.32Å; V163-E165 VanDerWaalsContact C-N 3.3Å; V163-E165 PolarHBondContact O-N 3.45Å; E165-R167 HydrophobicContact CB-CG 4.11Å; E165-R167 PolarHBondContact O-N 3.42Å; E165-R167 IonicContact OE2-CZ 3.61Å; E165-R167 IonicContact OE2-NE 3.65Å; E165-R167 IonicContact OE2-NH1 3.58Å |
| 166 | Y | 59.9 | Low | 74.9 | Confident | 184 Ų | 184 | 72 Ų | 72 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 23.2 | -176.8 | -76.2 | -90.4 | 0 | 0 | 0 | 114.5 | V163 A164 | V163-Y166 PolarHBondContact O-N 3.37Å; A164-Y166 PolarHBondContact O-N 2.88Å |
| 167 | R | 60.7 | Low | 75.1 | Confident | 127 Ų | 127 | 67.9 Ų | 67.9 | 48% | 0.479 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -80.9 | -27.4 | -178.1 | -73.6 | -168.7 | 176.8 | 167.1 | 2.3 | 113.1 | Y71 R162 E165 | Y71-R167 WeakPolarHBondContact CD1-O 3.33Å; Y71-R167 VanDerWaalsContact CE1-O 3.22Å; Y71-R167 WeakPolarHBondContact CE1-O 3.38Å; R162-R167 PolarHBondContact O-N 2.87Å; E165-R167 HydrophobicContact CB-CG 4.11Å; E165-R167 PolarHBondContact O-N 3.42Å; E165-R167 IonicContact OE2-CZ 3.61Å; E165-R167 IonicContact OE2-NE 3.65Å; E165-R167 IonicContact OE2-NH1 3.58Å |
| 168 | N | 62.1 | Low | 75.3 | Confident | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -138.3 | 151 | -178.5 | -75.1 | 81 | 0 | 0 | 0 | 109.7 | T111 D172 V173 | T111-N168 WeakPolarHBondContact CG2-ND2 3.25Å; T111-N168 PolarHBondContact O-ND2 3.16Å; T111-N168 VanDerWaalsContact O-ND2 3.15Å; N168-D172 HydrophobicContact CB-CB 4.25Å; N168-V173 HydrophobicContact CB-CG2 4.02Å |
| 169 | H | 71.3 | Confident | 75.7 | Confident | 80 Ų | 80 | 68.4 Ų | 68.4 | 37% | 0.37 | 34% | 0.335 | S | S | . | . | trans | -66.3 | 141.8 | 162.8 | -74.1 | -68.1 | 0 | 0 | 0 | 108.8 | S171 D172 V173 | H169-S171 PolarHBondContact O-N 2.9Å; H169-S171 VanDerWaalsContact O-N 3.1Å; H169-D172 PolarHBondContact N-OD2 2.58Å; H169-D172 WeakPolarHBondContact O-CB 3.16Å; H169-D172 PolarHBondContact O-N 2.77Å; H169-V173 PolarHBondContact O-N 3.36Å | ||
| 170 | W | 73.4 | Confident | 76.3 | Confident | 189 Ų | 189 | 68.4 Ų | 68.4 | 72% | 0.716 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -38.8 | -39.5 | 161.6 | 47.4 | -18.5 | 0 | 0 | 0 | 114.2 | V163 V173 I174 | V163-W170 HydrophobicContact CG1-CB 4.47Å; V163-W170 HydrophobicContact CG2-CB 4.47Å; W170-V173 PolarHBondContact O-N 3.34Å; W170-I174 VanDerWaalsContact O-CG1 3.29Å; W170-I174 WeakPolarHBondContact O-CG1 3.43Å; W170-I174 PolarHBondContact O-N 3.26Å |
| 171 | S | 76.3 | Confident | 76.9 | Confident | 67 Ų | 67 | 67.5 Ų | 67.5 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | H169 V173 I174 A175 | H169-S171 PolarHBondContact O-N 2.9Å; H169-S171 VanDerWaalsContact O-N 3.1Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.41Å; S171-I174 PolarHBondContact O-N 3.07Å; S171-A175 WeakPolarHBondContact O-CB 3.22Å; S171-A175 PolarHBondContact O-N 3.23Å |
| 172 | D | 76.3 | Confident | 77.5 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -33.1 | 179.7 | -43.9 | -24.1 | 0 | 0 | 0 | 111.8 | F112 S114 N168 H169 G176 | F112-D172 HydrophobicContact CD2-CB 4.37Å; F112-D172 WeakPolarHBondContact CD2-OD1 3.28Å; S114-D172 WeakPolarHBondContact CB-O 3.47Å; S114-D172 PolarHBondContact N-O 3.49Å; S114-D172 VanDerWaalsContact N-O 3.09Å; N168-D172 HydrophobicContact CB-CB 4.25Å; H169-D172 PolarHBondContact N-OD2 2.58Å; H169-D172 WeakPolarHBondContact O-CB 3.16Å; H169-D172 PolarHBondContact O-N 2.77Å; D172-G176 PolarHBondContact O-N 3.43Å |
| 173 | V | 78.4 | Confident | 78.4 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -71.1 | -44.1 | 176.3 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | A117 R162 V163 N168 H169 W170 S171 G176 F177 | A117-V173 HydrophobicContact CB-CG1 4Å; R162-V173 HydrophobicContact CB-CG2 4.49Å; V163-V173 HydrophobicContact CG2-CB 4.32Å; V163-V173 HydrophobicContact CG2-CG2 3.77Å; N168-V173 HydrophobicContact CB-CG2 4.02Å; H169-V173 PolarHBondContact O-N 3.36Å; W170-V173 PolarHBondContact O-N 3.34Å; S171-V173 VanDerWaalsContact C-N 3.3Å; S171-V173 PolarHBondContact O-N 3.41Å; V173-G176 PolarHBondContact O-N 2.82Å; V173-F177 HydrophobicContact CG1-CD2 4.12Å; V173-F177 HydrophobicContact CG1-CE2 3.7Å; V173-F177 HydrophobicContact CG1-CZ 3.98Å; V173-F177 WeakPolarHBondContact O-CG 3.41Å; V173-F177 PolarHBondContact O-N 3.35Å |
| 174 | I | 83.2 | Confident | 79.1 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 52% | 0.523 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.2 | -66 | 164 | 0 | 0 | 0 | 110.3 | W170 S171 G176 F177 I178 | W170-I174 VanDerWaalsContact O-CG1 3.29Å; W170-I174 WeakPolarHBondContact O-CG1 3.43Å; W170-I174 PolarHBondContact O-N 3.26Å; S171-I174 PolarHBondContact O-N 3.07Å; I174-G176 VanDerWaalsContact C-N 3.32Å; I174-G176 PolarHBondContact O-N 3.12Å; I174-F177 PolarHBondContact O-N 2.76Å; I174-F177 VanDerWaalsContact O-N 3.14Å; I174-I178 HydrophobicContact CG2-CG1 4.43Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.32Å |
| 175 | A | 83.7 | Confident | 79.9 | Confident | 22 Ų | 22 | 62 Ų | 62 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F112 P113 S171 F177 I178 I179 | F112-A175 HydrophobicContact CE1-CB 4.24Å; F112-A175 HydrophobicContact CE2-CB 4.18Å; F112-A175 HydrophobicContact CZ-CB 3.69Å; P113-A175 HydrophobicContact CB-CB 4.12Å; S171-A175 WeakPolarHBondContact O-CB 3.22Å; S171-A175 PolarHBondContact O-N 3.23Å; A175-F177 PolarHBondContact O-N 3.19Å; A175-I178 PolarHBondContact O-N 3Å; A175-I179 VanDerWaalsContact O-CG1 3.32Å; A175-I179 WeakPolarHBondContact O-CG1 3.15Å; A175-I179 PolarHBondContact O-N 3.39Å |
| 176 | G | 84.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A118 D172 V173 I174 I179 G180 | A118-G176 VanDerWaalsContact CA-O 3.26Å; A118-G176 WeakPolarHBondContact CA-O 3.35Å; A118-G176 VanDerWaalsContact CB-O 3.29Å; A118-G176 WeakPolarHBondContact CB-O 3.14Å; D172-G176 PolarHBondContact O-N 3.43Å; V173-G176 PolarHBondContact O-N 2.82Å; I174-G176 VanDerWaalsContact C-N 3.32Å; I174-G176 PolarHBondContact O-N 3.12Å; G176-I179 PolarHBondContact O-N 2.97Å; G176-G180 PolarHBondContact O-N 3.26Å |
| 177 | F | 87.4 | Confident | 82.1 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.1 | -72.4 | -27.4 | 0 | 0 | 0 | 112.7 | A117 I121 F156 V173 I174 A175 I179 G180 M181 | A117-F177 HydrophobicContact CB-CD1 4Å; A117-F177 HydrophobicContact CB-CE1 3.87Å; A117-F177 WeakPolarHBondContact O-CD1 3.15Å; A117-F177 WeakPolarHBondContact O-CE1 3.36Å; I121-F177 HydrophobicContact CB-CD1 3.77Å; I121-F177 HydrophobicContact CB-CE1 4.23Å; I121-F177 HydrophobicContact CG1-CD1 4.3Å; I121-F177 HydrophobicContact CG2-CD1 4.02Å; F156-F177 AromaticContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CE2 3.78Å; F156-F177 HydrophobicContact CD2-CZ 4.26Å; F156-F177 HydrophobicContact CE2-CE2 4.12Å; V173-F177 HydrophobicContact CG1-CD2 4.12Å; V173-F177 HydrophobicContact CG1-CE2 3.7Å; V173-F177 HydrophobicContact CG1-CZ 3.98Å; V173-F177 WeakPolarHBondContact O-CG 3.41Å; V173-F177 PolarHBondContact O-N 3.35Å; I174-F177 PolarHBondContact O-N 2.76Å; I174-F177 VanDerWaalsContact O-N 3.14Å; A175-F177 PolarHBondContact O-N 3.19Å; F177-I179 VanDerWaalsContact C-N 3.35Å; F177-I179 PolarHBondContact O-N 3.41Å; F177-G180 PolarHBondContact O-N 3.5Å; F177-M181 VanDerWaalsContact O-CB 3.27Å; F177-M181 WeakPolarHBondContact O-CB 3.4Å; F177-M181 WeakPolarHBondContact O-CG 3.32Å; F177-M181 PolarHBondContact O-N 2.81Å |
| 178 | I | 88.6 | Confident | 83.1 | Confident | 112 Ų | 112 | 51.3 Ų | 51.3 | 57% | 0.574 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 178.6 | -64.3 | -61.3 | 0 | 0 | 0 | 111.3 | I174 A175 M181 A182 | I174-I178 HydrophobicContact CG2-CG1 4.43Å; I174-I178 WeakPolarHBondContact O-CG1 3.41Å; I174-I178 PolarHBondContact O-N 3.32Å; A175-I178 PolarHBondContact O-N 3Å; I178-M181 PolarHBondContact O-N 3.42Å; I178-A182 WeakPolarHBondContact O-CB 3.44Å; I178-A182 PolarHBondContact O-N 3.37Å |
| 179 | I | 88.3 | Confident | 84 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 24% | 0.241 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 178.9 | -66.6 | 165.6 | 0 | 0 | 0 | 110.9 | F57 V58 P113 A175 G176 F177 M181 A182 I183 | F57-I179 HydrophobicContact CB-CG2 4.38Å; V58-I179 HydrophobicContact CG2-CG2 4.41Å; P113-I179 HydrophobicContact CB-CD1 3.96Å; P113-I179 HydrophobicContact CG-CD1 3.58Å; A175-I179 VanDerWaalsContact O-CG1 3.32Å; A175-I179 WeakPolarHBondContact O-CG1 3.15Å; A175-I179 PolarHBondContact O-N 3.39Å; G176-I179 PolarHBondContact O-N 2.97Å; F177-I179 VanDerWaalsContact C-N 3.35Å; F177-I179 PolarHBondContact O-N 3.41Å; I179-M181 PolarHBondContact O-N 3.11Å; I179-A182 PolarHBondContact O-N 2.86Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.92Å |
| 180 | G | 87.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G176 F177 A184 | G176-G180 PolarHBondContact O-N 3.26Å; F177-G180 PolarHBondContact O-N 3.5Å; G180-A184 VanDerWaalsContact O-CB 3.23Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.78Å |
| 181 | M | 90.6 | Very high | 84.4 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 32% | 0.32 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 173.9 | -70.5 | -74.4 | -54.6 | 0 | 0 | 111.4 | I121 L125 M152 F177 I178 I179 I183 A184 T185 | I121-M181 HydrophobicContact CD1-SD 3.91Å; I121-M181 HydrophobicContact CG1-CG 3.75Å; I121-M181 HydrophobicContact CG1-SD 3.42Å; I121-M181 WeakPolarHBondContact CG1-SD 3.09Å; I121-M181 HydrophobicContact CG2-CG 4.47Å; L125-M181 HydrophobicContact CD1-CB 4.49Å; L125-M181 HydrophobicContact CD1-CE 3.78Å; L125-M181 HydrophobicContact CD1-CG 4.37Å; L125-M181 HydrophobicContact CD1-SD 3.3Å; L125-M181 WeakPolarHBondContact CD1-SD 3.25Å; L125-M181 HydrophobicContact CD2-CE 4.24Å; L125-M181 HydrophobicContact CD2-SD 4.13Å; L125-M181 HydrophobicContact CG-CE 4.49Å; L125-M181 HydrophobicContact CG-SD 3.87Å; M152-M181 HydrophobicContact CE-SD 4.34Å; F177-M181 VanDerWaalsContact O-CB 3.27Å; F177-M181 WeakPolarHBondContact O-CB 3.4Å; F177-M181 WeakPolarHBondContact O-CG 3.32Å; F177-M181 PolarHBondContact O-N 2.81Å; I178-M181 PolarHBondContact O-N 3.42Å; I179-M181 PolarHBondContact O-N 3.11Å; M181-I183 PolarHBondContact O-N 3.48Å; M181-A184 PolarHBondContact O-N 3.25Å; M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.21Å; M181-T185 PolarHBondContact O-OG1 3.32Å |
| 182 | A | 90.7 | Very high | 84 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.1 | -45.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I178 I179 T185 F186 | I178-A182 WeakPolarHBondContact O-CB 3.44Å; I178-A182 PolarHBondContact O-N 3.37Å; I179-A182 PolarHBondContact O-N 2.86Å; A182-T185 PolarHBondContact O-N 2.87Å; A182-F186 VanDerWaalsContact O-CB 3.32Å; A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 3.04Å |
| 183 | I | 90.2 | Very high | 83.5 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.082 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 179.1 | -64.6 | 168.6 | 0 | 0 | 0 | 110.9 | T53 V54 F57 I179 M181 F186 L187 | T53-I183 HydrophobicContact CG2-CD1 4.39Å; T53-I183 HydrophobicContact CG2-CG2 4Å; V54-I183 HydrophobicContact CB-CD1 4.22Å; V54-I183 HydrophobicContact CG2-CB 3.9Å; V54-I183 HydrophobicContact CG2-CD1 3.75Å; V54-I183 HydrophobicContact CG2-CG1 4.43Å; V54-I183 HydrophobicContact CG2-CG2 3.65Å; F57-I183 HydrophobicContact CB-CD1 4.05Å; F57-I183 HydrophobicContact CD2-CD1 3.86Å; F57-I183 HydrophobicContact CG-CD1 4.13Å; I179-I183 HydrophobicContact CG2-CD1 3.81Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 2.92Å; M181-I183 PolarHBondContact O-N 3.48Å; I183-F186 PolarHBondContact O-N 3.05Å; I183-L187 HydrophobicContact CG2-CD1 3.85Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CB 3.34Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 3.49Å |
| 184 | A | 89.1 | Confident | 82.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y122 L125 G180 M181 L187 V188 | Y122-A184 HydrophobicContact CD2-CB 3.78Å; Y122-A184 HydrophobicContact CE2-CB 4.35Å; L125-A184 HydrophobicContact CB-CB 3.97Å; L125-A184 HydrophobicContact CD1-CB 3.44Å; L125-A184 VanDerWaalsContact CD1-CB 3.44Å; L125-A184 HydrophobicContact CG-CB 4.4Å; G180-A184 VanDerWaalsContact O-CB 3.23Å; G180-A184 WeakPolarHBondContact O-CB 3.38Å; G180-A184 PolarHBondContact O-N 2.78Å; M181-A184 PolarHBondContact O-N 3.25Å; A184-L187 PolarHBondContact O-N 3Å; A184-V188 WeakPolarHBondContact O-CB 3.45Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 3.22Å |
| 185 | T | 87.3 | Confident | 81.7 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | M181 A182 L187 V188 V189 | M181-T185 WeakPolarHBondContact O-CB 3.27Å; M181-T185 PolarHBondContact O-N 3.21Å; M181-T185 PolarHBondContact O-OG1 3.32Å; A182-T185 PolarHBondContact O-N 2.87Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.99Å; T185-V188 PolarHBondContact O-N 3.03Å; T185-V189 HydrophobicContact CG2-CG2 4.1Å; T185-V189 WeakPolarHBondContact O-CB 3.43Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.3Å; T185-V189 PolarHBondContact O-N 3.11Å |
| 186 | F | 88.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 59% | 0.588 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57 | -47.7 | 175.7 | 175.9 | -100.1 | 0 | 0 | 0 | 111.4 | A182 I183 C190 | A182-F186 VanDerWaalsContact O-CB 3.32Å; A182-F186 WeakPolarHBondContact O-CB 3.46Å; A182-F186 PolarHBondContact O-N 3.04Å; I183-F186 PolarHBondContact O-N 3.05Å; F186-C190 WeakPolarHBondContact CE2-SG 3.28Å; F186-C190 WeakPolarHBondContact O-CB 3.08Å; F186-C190 PolarHBondContact O-N 2.94Å; F186-C190 PolarHBondContact O-SG 2.71Å; F186-C190 VanDerWaalsContact O-SG 3.34Å |
| 187 | L | 86.1 | Confident | 78.7 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 178.9 | -72.9 | 166.4 | 0 | 0 | 0 | 112.4 | F49 Y122 I183 A184 T185 V191 | F49-L187 HydrophobicContact CD1-CD2 3.86Å; F49-L187 HydrophobicContact CE1-CD2 3.91Å; Y122-L187 HydrophobicContact CE2-CD1 3.75Å; I183-L187 HydrophobicContact CG2-CD1 3.85Å; I183-L187 HydrophobicContact CG2-CG 4.49Å; I183-L187 WeakPolarHBondContact O-CB 3.34Å; I183-L187 WeakPolarHBondContact O-CG 3.28Å; I183-L187 PolarHBondContact O-N 3.49Å; A184-L187 PolarHBondContact O-N 3Å; T185-L187 VanDerWaalsContact C-N 3.34Å; T185-L187 PolarHBondContact O-N 2.99Å; L187-V191 HydrophobicContact CD2-CG2 3.95Å; L187-V191 WeakPolarHBondContact O-CA 3.22Å; L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 3.3Å |
| 188 | V | 82 | Confident | 77 | Confident | 41 Ų | 41 | 64.9 Ų | 64.9 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -63.3 | -48.2 | 177.4 | 171 | 0 | 0 | 0 | 0 | 110.2 | M129 A184 T185 V192 | M129-V188 HydrophobicContact CG-CG1 4.27Å; M129-V188 HydrophobicContact CG-CG2 4.26Å; A184-V188 WeakPolarHBondContact O-CB 3.45Å; A184-V188 VanDerWaalsContact O-CG2 3.25Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 3.22Å; T185-V188 PolarHBondContact O-N 3.03Å; V188-V192 HydrophobicContact CG1-CG2 4.22Å; V188-V192 WeakPolarHBondContact O-CA 3.36Å; V188-V192 WeakPolarHBondContact O-CB 3.1Å; V188-V192 WeakPolarHBondContact O-CG2 3.09Å; V188-V192 PolarHBondContact O-N 3.36Å |
| 189 | V | 81.9 | Confident | 75.2 | Confident | 87 Ų | 87 | 65 Ų | 65 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -66.8 | -54.4 | -179.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | T185 H193 | T185-V189 HydrophobicContact CG2-CG2 4.1Å; T185-V189 WeakPolarHBondContact O-CB 3.43Å; T185-V189 VanDerWaalsContact O-CG2 3.29Å; T185-V189 WeakPolarHBondContact O-CG2 3.3Å; T185-V189 PolarHBondContact O-N 3.11Å; V189-H193 WeakPolarHBondContact O-CB 3.21Å; V189-H193 PolarHBondContact O-N 3.19Å; V189-H193 VanDerWaalsContact O-N 3.11Å |
| 190 | C | 79.3 | Confident | 73.4 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -68.1 | -46.6 | -175.9 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | F186 N194 | F186-C190 WeakPolarHBondContact CE2-SG 3.28Å; F186-C190 WeakPolarHBondContact O-CB 3.08Å; F186-C190 PolarHBondContact O-N 2.94Å; F186-C190 PolarHBondContact O-SG 2.71Å; F186-C190 VanDerWaalsContact O-SG 3.34Å; C190-N194 WeakPolarHBondContact O-CB 3.11Å; C190-N194 PolarHBondContact O-N 3.3Å; C190-N194 PolarHBondContact O-ND2 3.39Å |
| 191 | V | 73.8 | Confident | 71.6 | Confident | 34 Ų | 34 | 75 Ų | 75 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -78.3 | -45.5 | -173.7 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | V46 L187 F195 | V46-V191 HydrophobicContact CB-CG1 4.49Å; V46-V191 HydrophobicContact CG1-CB 4.27Å; V46-V191 HydrophobicContact CG1-CG1 3.82Å; V46-V191 HydrophobicContact CG1-CG2 4.18Å; V46-V191 HydrophobicContact CG2-CG1 3.78Å; L187-V191 HydrophobicContact CD2-CG2 3.95Å; L187-V191 WeakPolarHBondContact O-CA 3.22Å; L187-V191 WeakPolarHBondContact O-CB 3.48Å; L187-V191 VanDerWaalsContact O-CG2 3.25Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; L187-V191 PolarHBondContact O-N 3.3Å; V191-F195 HydrophobicContact CG1-CD2 3.53Å; V191-F195 HydrophobicContact CG1-CE2 3.32Å; V191-F195 WeakPolarHBondContact O-CB 3.34Å; V191-F195 WeakPolarHBondContact O-CD2 3.15Å; V191-F195 PolarHBondContact O-N 3.4Å |
| 192 | V | 67.1 | Low | 69.3 | Low | 30 Ų | 30 | 78 Ų | 78 | 18% | 0.182 | 42% | 0.417 | C | S | . | . | I | π-helix | trans | -76.7 | -37 | -174.4 | -171.5 | 0 | 0 | 0 | 0 | 111.3 | M129 F133 V188 F195 K196 | M129-V192 HydrophobicContact CE-CB 4.04Å; M129-V192 HydrophobicContact CE-CG1 3.55Å; M129-V192 HydrophobicContact CE-CG2 3.27Å; F133-V192 HydrophobicContact CE2-CG1 4.49Å; F133-V192 HydrophobicContact CZ-CG1 4.21Å; V188-V192 HydrophobicContact CG1-CG2 4.22Å; V188-V192 WeakPolarHBondContact O-CA 3.36Å; V188-V192 WeakPolarHBondContact O-CB 3.1Å; V188-V192 WeakPolarHBondContact O-CG2 3.09Å; V188-V192 PolarHBondContact O-N 3.36Å; V192-F195 PolarHBondContact O-N 3.3Å; V192-K196 PolarHBondContact O-N 2.03Å |
| 193 | H | 65.6 | Low | 66.9 | Low | 141 Ų | 141 | 82.7 Ų | 82.7 | 65% | 0.653 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -68.2 | -39 | 175 | -160.9 | -87.3 | 0 | 0 | 0 | 111.3 | V189 K196 G197 | V189-H193 WeakPolarHBondContact O-CB 3.21Å; V189-H193 PolarHBondContact O-N 3.19Å; V189-H193 VanDerWaalsContact O-N 3.11Å; H193-K196 PolarHBondContact O-N 3.16Å; H193-G197 PolarHBondContact O-N 3.29Å |
| 194 | N | 64 | Low | 64.3 | Low | 100 Ų | 100 | 88.7 Ų | 88.7 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 172.9 | -84.9 | -82.3 | 0 | 0 | 0 | 112.2 | C190 G197 K198 | C190-N194 WeakPolarHBondContact O-CB 3.11Å; C190-N194 PolarHBondContact O-N 3.3Å; C190-N194 PolarHBondContact O-ND2 3.39Å; N194-G197 PolarHBondContact O-N 3.25Å; N194-K198 WeakPolarHBondContact O-CG 3.12Å; N194-K198 PolarHBondContact O-N 3.35Å |
| 195 | F | 60 | Low | 61.5 | Low | 83 Ų | 83 | 93 Ų | 93 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 174.7 | -83.5 | -59.9 | 0 | 0 | 0 | 112.9 | R42 V46 V191 V192 K198 L199 | R42-F195 HydrophobicContact CG-CZ 4.07Å; V46-F195 HydrophobicContact CG2-CE2 4.44Å; V191-F195 HydrophobicContact CG1-CD2 3.53Å; V191-F195 HydrophobicContact CG1-CE2 3.32Å; V191-F195 WeakPolarHBondContact O-CB 3.34Å; V191-F195 WeakPolarHBondContact O-CD2 3.15Å; V191-F195 PolarHBondContact O-N 3.4Å; V192-F195 PolarHBondContact O-N 3.3Å; F195-K198 PolarHBondContact O-N 2.82Å; F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.32Å |
| 196 | K | 57.9 | Low | 59 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 172.6 | -80.3 | -172.9 | 172.9 | -172 | 0 | 111.5 | V192 H193 K198 L199 L200 | V192-K196 PolarHBondContact O-N 2.03Å; H193-K196 PolarHBondContact O-N 3.16Å; K196-K198 VanDerWaalsContact C-N 3.33Å; K196-K198 PolarHBondContact O-N 3.41Å; K196-L199 PolarHBondContact O-N 3.4Å; K196-L200 WeakPolarHBondContact O-CG 3.47Å; K196-L200 PolarHBondContact O-N 2.83Å |
| 197 | G | 47.4 | Very low | 56.4 | Low | 34 Ų | 34 | 92.9 Ų | 92.9 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | H193 N194 L201 | H193-G197 PolarHBondContact O-N 3.29Å; N194-G197 PolarHBondContact O-N 3.25Å; G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 PolarHBondContact O-N 3.32Å; G197-L201 VanDerWaalsContact O-N 3.08Å |
| 198 | K | 50.5 | Low | 53.7 | Low | 141 Ų | 141 | 101.2 Ų | 101.2 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.2 | -27.1 | 174.9 | -71.3 | -168.6 | 179.2 | -170.7 | 0 | 114.3 | N194 F195 K196 N202 | N194-K198 WeakPolarHBondContact O-CG 3.12Å; N194-K198 PolarHBondContact O-N 3.35Å; F195-K198 PolarHBondContact O-N 2.82Å; K196-K198 VanDerWaalsContact C-N 3.33Å; K196-K198 PolarHBondContact O-N 3.41Å; K198-N202 PolarHBondContact O-N 3.04Å; K198-N202 PolarHBondContact O-ND2 3.15Å |
| 199 | L | 51.7 | Low | 51.2 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.7 | -44.4 | 175 | -162.1 | 95.3 | 0 | 0 | 0 | 110.4 | F195 K196 N202 E203 | F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.46Å; F195-L199 PolarHBondContact O-N 3.32Å; K196-L199 PolarHBondContact O-N 3.4Å; L199-N202 PolarHBondContact O-N 2.72Å; L199-N202 VanDerWaalsContact O-N 3.15Å; L199-E203 PolarHBondContact O-N 3.03Å |
| 200 | L | 50.5 | Low | 48.9 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 60% | 0.597 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.2 | -36.2 | 176.5 | -65.2 | -171 | 0 | 0 | 0 | 112.3 | K196 N202 E203 | K196-L200 WeakPolarHBondContact O-CG 3.47Å; K196-L200 PolarHBondContact O-N 2.83Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.16Å; L200-E203 PolarHBondContact O-N 3.41Å |
| 201 | L | 50.5 | Low | 46.6 | Very low | 141 Ų | 141 | 112 Ų | 112 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -16.7 | 172 | -86.3 | 172.8 | 0 | 0 | 0 | 114.6 | G197 | G197-L201 WeakPolarHBondContact O-CB 3.26Å; G197-L201 PolarHBondContact O-N 3.32Å; G197-L201 VanDerWaalsContact O-N 3.08Å |
| 202 | N | 40.4 | Very low | 44.6 | Very low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -10.5 | 172 | -91.2 | -68 | 0 | 0 | 0 | 112.8 | K198 L199 L200 | K198-N202 PolarHBondContact O-N 3.04Å; K198-N202 PolarHBondContact O-ND2 3.15Å; L199-N202 PolarHBondContact O-N 2.72Å; L199-N202 VanDerWaalsContact O-N 3.15Å; L200-N202 VanDerWaalsContact C-N 3.27Å; L200-N202 PolarHBondContact O-N 3.16Å |
| 203 | E | 41.6 | Very low | 43.1 | Very low | 156 Ų | 156 | 120.8 Ų | 120.8 | 73% | 0.729 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -91 | -2.3 | 177.4 | -156.4 | 160.8 | 92.5 | 0 | 0 | 112.3 | L199 L200 | L199-E203 PolarHBondContact O-N 3.03Å; L200-E203 PolarHBondContact O-N 3.41Å |
| 204 | D | 35.5 | Very low | 41.5 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -113.5 | 20.9 | 179.1 | -116.9 | -48.8 | 0 | 0 | 0 | 113.6 | P206 | D204-P206 WeakPolarHBondContact O-CD 3.28Š|
| 205 | S | 30.2 | Very low | 40 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | trans | -104.4 | 100.7 | 163.5 | -159.9 | 0 | 0 | 0 | 0 | 108.3 | A207 | S205-A207 PolarHBondContact O-N 3.3Š| ||
| 206 | P | 34.3 | Very low | 38.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -59.4 | 124.2 | 162.4 | -10.2 | 24.6 | 0 | 0 | 0 | 106.4 | D204 E208 | D204-P206 WeakPolarHBondContact O-CD 3.28Å; P206-E208 PolarHBondContact O-N 2.78Å | ||
| 207 | A | 34.8 | Very low | 37.3 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -55.3 | 110.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | S205 P209 | S205-A207 PolarHBondContact O-N 3.3Å; A207-P209 VanDerWaalsContact O-CD 3.24Å; A207-P209 WeakPolarHBondContact O-CD 3.41Å | ||
| 208 | E | 27.7 | Very low | 36.4 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -58.4 | 120.9 | 166 | -104 | -158.8 | 118.9 | 0 | 0 | 108.2 | P206 Q210 | P206-E208 PolarHBondContact O-N 2.78Å; E208-Q210 PolarHBondContact O-N 3.28Å | ||
| 209 | P | 30.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -77.8 | 111.1 | 164.5 | -2.4 | 21.7 | 0 | 0 | 0 | 107.3 | A207 P211 | A207-P209 VanDerWaalsContact O-CD 3.24Å; A207-P209 WeakPolarHBondContact O-CD 3.41Å; P209-P211 WeakPolarHBondContact O-CD 3.49Å | ||
| 210 | Q | 33.3 | Very low | 34.1 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -49.6 | 118.5 | 169.7 | -167.8 | -176.6 | -4.5 | 0 | 0 | 110.6 | E208 N212 | E208-Q210 PolarHBondContact O-N 3.28Å; Q210-N212 PolarHBondContact O-N 2.91Å | ||
| 211 | P | 30.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 105.5 | 174.7 | 2.7 | 15.3 | 0 | 0 | 0 | 109.1 | P209 A213 | P209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-A213 PolarHBondContact O-N 3.14Å | ||
| 212 | N | 31.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -64.9 | 126.8 | 158.4 | -74.2 | -25.9 | 0 | 0 | 0 | 108.5 | Q210 A214 | Q210-N212 PolarHBondContact O-N 2.91Å; N212-A214 PolarHBondContact O-N 3.38Å | ||
| 213 | A | 36.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -59 | 122.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P211 | P211-A213 PolarHBondContact O-N 3.14Š| ||
| 214 | A | 31.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -159.1 | 132.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N212 | N212-A214 PolarHBondContact O-N 3.38Š| ||
| 215 | I | 32.8 | Very low | 31.8 | Very low | 159 Ų | 159 | 129.8 Ų | 129.8 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | trans | -80.4 | 140.9 | -173.2 | -63.2 | 162.7 | 0 | 0 | 0 | 110.3 | ||||
| 216 | L | 32.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | 154.6 | 118.4 | 123.8 | -105.3 | 113.6 | 0 | 0 | 0 | 113.6 | |||||
| 217 | N | 28.8 | Very low | 32.6 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 70.4 | 131.5 | 129.1 | -105 | 10.9 | 0 | 0 | 0 | 124.9 | |||||
| 218 | M | 29.3 | Very low | 32.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 87.3 | 83.1 | 136.1 | -139.1 | 86.4 | 145.4 | 0 | 0 | 117.8 | ||||
| 219 | G | 27.3 | Very low | 33.4 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | trans | -91.2 | 114.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 220 | H | 27.7 | Very low | 34 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -123.1 | 139.3 | 168.7 | -175.5 | -163 | 0 | 0 | 0 | 108.2 | ||||
| 221 | L | 30.4 | Very low | 34.4 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | 78.9 | 109.4 | 171.4 | -106.7 | 76.9 | 0 | 0 | 0 | 118.4 | ||||
| 222 | D | 28.4 | Very low | 34.9 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 179.8 | 144 | 121.6 | -90.7 | -39.3 | 0 | 0 | 0 | 107.8 | |||||
| 223 | S | 34.2 | Very low | 35.3 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | cis | -166.5 | 155.9 | -3.7 | -116.3 | 0 | 0 | 0 | 0 | 107.8 | L225 | S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.5Å; S223-L225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | P | 37.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 14.5 | -167.1 | -12.1 | 29.6 | 0 | 0 | 0 | 117.3 | ||
| 225 | L | 39 | Very low | 35.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -11.8 | -164.1 | -163.4 | 60.9 | 0 | 0 | 0 | 114.9 | S223 | S223-L225 VanDerWaalsContact C-N 3.33Å; S223-L225 PolarHBondContact O-N 3.5Å; S223-L225 VanDerWaalsContact O-N 3.16Å |
| 226 | E | 42.6 | Very low | 36.2 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -82 | -18.6 | -179.7 | -103.2 | -175.8 | 108.5 | 0 | 0 | 114.3 | Y228 | E226-Y228 VanDerWaalsContact C-N 3.31Å; E226-Y228 PolarHBondContact O-N 3.29Å |
| 227 | K | 39.7 | Very low | 36.4 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -76.2 | -14.2 | -175.4 | -77.9 | -171.9 | 176.2 | 179.6 | 0 | 114.7 | ||
| 228 | Y | 34.3 | Very low | 36.6 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -84.8 | -20.7 | -179 | -121.9 | -92.2 | 0 | 0 | 0 | 113.6 | E226 | E226-Y228 VanDerWaalsContact C-N 3.31Å; E226-Y228 PolarHBondContact O-N 3.29Å |
| 229 | I | 43.3 | Very low | 36.8 | Very low | 136 Ų | 136 | 145 Ų | 145 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -22.4 | -174 | -58.9 | 175.3 | 0 | 0 | 0 | 111.6 | ||
| 230 | A | 44.3 | Very low | 37.1 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -13.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 231 | S | 42 | Very low | 37.4 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -7.4 | -173.8 | -168.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 232 | Q | 40.5 | Very low | 37.7 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -106.1 | -8.9 | -169.8 | -154.9 | 159.8 | 7 | 0 | 0 | 114.6 | ||
| 233 | N | 39.7 | Very low | 38.2 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -110.2 | 6.8 | -172.2 | -82.7 | -6.2 | 0 | 0 | 0 | 115.8 | ||
| 234 | H | 38.2 | Very low | 38.5 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 83% | 0.833 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -107.2 | 9.4 | -176 | -127.2 | -65.1 | 0 | 0 | 0 | 115.8 | ||
| 235 | I | 42.6 | Very low | 38.5 | Very low | 166 Ų | 166 | 155.2 Ų | 155.2 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -93.2 | -0.7 | -178.6 | -64 | 177.8 | 0 | 0 | 0 | 113.5 | ||
| 236 | A | 38.3 | Very low | 38.5 | Very low | 78 Ų | 78 | 155.9 Ų | 155.9 | 65% | 0.645 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -117 | 122.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 237 | F | 37.5 | Very low | 38.2 | Very low | 200 Ų | 200 | 154.7 Ų | 154.7 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | 90.4 | 88.6 | 169.8 | -70.9 | -89.8 | 0 | 0 | 0 | 118.2 | ||||
| 238 | T | 32.6 | Very low | 38.1 | Very low | 155 Ų | 155 | 152.4 Ų | 152.4 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | -165.2 | 102.8 | 122.6 | 17.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 239 | E | 33.5 | Very low | 38.4 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -109.8 | 125 | 162.5 | -179.9 | -172.4 | -177.2 | 0 | 0 | 105.4 | ||||
| 240 | V | 33.4 | Very low | 38 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 84% | 0.842 | 83% | 0.833 | S | S | * | * | trans | -156.9 | 139.8 | 130.3 | -163.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 241 | T | 33.5 | Very low | 37.4 | Very low | 200 Ų | 200 | 155.5 Ų | 155.5 | 100% | 1.227 | 85% | 0.848 | S | S | * | * | trans | -51.5 | 0 | 159.9 | -11.7 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 241 of 241 residues in 590.8 ms
(Link to these results)