| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39 | Very low | 66.3 | Low | 196 Ų | 196 | 147.2 Ų | 147.2 | 97% | 0.966 | 66% | 0.661 | S | S | * | * | 0 | -66.5 | 0 | -148.3 | 171 | -168.2 | 0 | 0 | 113.6 | I3 Y4 Q5 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 VanDerWaalsContact O-N 3.13Å; M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 VanDerWaalsContact O-CB 3.31Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.07Å; M1-Q5 PolarHBondContact O-N 2.88Å | |||
| 2 | F | 40.9 | Very low | 67.2 | Low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -52.1 | -39.8 | -171.8 | -130.6 | -87.5 | 0 | 0 | 0 | 115.6 | Y4 R6 | F2-Y4 VanDerWaalsContact C-N 3.33Å; F2-Y4 PolarHBondContact O-N 3.47Å; F2-R6 WeakPolarHBondContact O-CB 3.31Å; F2-R6 PolarHBondContact O-N 2.91Å |
| 3 | I | 63.8 | Low | 67.9 | Low | 137 Ų | 137 | 139.4 Ų | 139.4 | 70% | 0.703 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.8 | -34.8 | 176.7 | -61.8 | 174.3 | 0 | 0 | 0 | 111.8 | M1 R6 K7 | M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.28Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-R6 PolarHBondContact O-N 2.66Å; I3-K7 PolarHBondContact O-N 3.17Å |
| 4 | Y | 68.3 | Low | 68.7 | Low | 156 Ų | 156 | 135.6 Ų | 135.6 | 61% | 0.612 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.1 | -45.5 | 179 | -167.9 | -87.8 | 0 | 0 | 0 | 111.1 | M1 F2 R6 K7 Q8 | M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 VanDerWaalsContact O-CB 3.31Å; M1-Y4 WeakPolarHBondContact O-CB 3.46Å; M1-Y4 PolarHBondContact O-N 3.07Å; F2-Y4 VanDerWaalsContact C-N 3.33Å; F2-Y4 PolarHBondContact O-N 3.47Å; Y4-R6 VanDerWaalsContact C-N 3.29Å; Y4-R6 PolarHBondContact O-N 3.35Å; Y4-K7 PolarHBondContact O-N 3.13Å; Y4-Q8 HydrophobicContact CD1-CG 4.35Å; Y4-Q8 HydrophobicContact CE1-CG 4.01Å; Y4-Q8 PolarHBondContact O-N 3.22Å |
| 5 | Q | 63.4 | Low | 69.6 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 54% | 0.542 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.9 | -38.3 | 170.6 | -80.3 | -175.3 | -27.6 | 0 | 0 | 112.1 | M1 Q8 L9 | M1-Q5 PolarHBondContact O-N 2.88Å; Q5-Q8 PolarHBondContact O-N 3.5Å; Q5-L9 VanDerWaalsContact O-CB 3.31Å; Q5-L9 WeakPolarHBondContact O-CB 3.5Å; Q5-L9 PolarHBondContact O-N 2.85Å |
| 6 | R | 68.9 | Low | 69.9 | Low | 183 Ų | 183 | 128.7 Ų | 128.7 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.2 | -37.9 | 175.4 | -165.3 | 175.7 | -177.5 | -168.9 | -1.3 | 112.5 | F2 I3 Y4 I10 | F2-R6 WeakPolarHBondContact O-CB 3.31Å; F2-R6 PolarHBondContact O-N 2.91Å; I3-R6 PolarHBondContact O-N 2.66Å; Y4-R6 VanDerWaalsContact C-N 3.29Å; Y4-R6 PolarHBondContact O-N 3.35Å; R6-I10 HydrophobicContact CG-CD1 4.36Å; R6-I10 WeakPolarHBondContact O-CD1 3.31Å; R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.32Å; R6-I10 VanDerWaalsContact O-N 3.12Å |
| 7 | K | 76.6 | Confident | 70.2 | Confident | 151 Ų | 151 | 125.9 Ų | 125.9 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.7 | -47.6 | 172 | -81.4 | -167.1 | 172.9 | -170.6 | 0 | 111.7 | I3 Y4 L9 I10 Y11 | I3-K7 PolarHBondContact O-N 3.17Å; Y4-K7 PolarHBondContact O-N 3.13Å; K7-L9 PolarHBondContact O-N 3.42Å; K7-I10 PolarHBondContact O-N 3Å; K7-Y11 PolarHBondContact O-N 3.39Å |
| 8 | Q | 75.7 | Confident | 70.8 | Confident | 105 Ų | 105 | 127.4 Ų | 127.4 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -38.8 | 177.8 | -78.3 | -159.5 | -15 | 0 | 0 | 112.8 | Y4 Q5 I10 Y11 L12 | Y4-Q8 HydrophobicContact CD1-CG 4.35Å; Y4-Q8 HydrophobicContact CE1-CG 4.01Å; Y4-Q8 PolarHBondContact O-N 3.22Å; Q5-Q8 PolarHBondContact O-N 3.5Å; Q8-I10 VanDerWaalsContact C-N 3.35Å; Q8-I10 PolarHBondContact O-N 2.93Å; Q8-Y11 WeakPolarHBondContact O-CB 3.27Å; Q8-Y11 PolarHBondContact O-N 3.19Å; Q8-L12 WeakPolarHBondContact O-CB 3.31Å; Q8-L12 PolarHBondContact O-N 2.66Å |
| 9 | L | 72.3 | Confident | 71.4 | Confident | 119 Ų | 119 | 125.9 Ų | 125.9 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -39.3 | 175.9 | -171.5 | 70.6 | 0 | 0 | 0 | 111.9 | Q5 K7 V13 | Q5-L9 VanDerWaalsContact O-CB 3.31Å; Q5-L9 WeakPolarHBondContact O-CB 3.5Å; Q5-L9 PolarHBondContact O-N 2.85Å; K7-L9 PolarHBondContact O-N 3.42Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 2.89Å |
| 10 | I | 80 | Confident | 71.7 | Confident | 100 Ų | 100 | 127.9 Ų | 127.9 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.6 | -48.7 | 171.5 | -70.7 | 164.8 | 0 | 0 | 0 | 109.7 | R6 K7 Q8 L12 V13 T14 | R6-I10 HydrophobicContact CG-CD1 4.36Å; R6-I10 WeakPolarHBondContact O-CD1 3.31Å; R6-I10 VanDerWaalsContact O-CG1 3.26Å; R6-I10 WeakPolarHBondContact O-CG1 3.45Å; R6-I10 PolarHBondContact O-N 3.32Å; R6-I10 VanDerWaalsContact O-N 3.12Å; K7-I10 PolarHBondContact O-N 3Å; Q8-I10 VanDerWaalsContact C-N 3.35Å; Q8-I10 PolarHBondContact O-N 2.93Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.8Å; I10-V13 PolarHBondContact O-N 3.18Å; I10-T14 PolarHBondContact O-N 2.84Å; I10-T14 PolarHBondContact O-OG1 3.38Å |
| 11 | Y | 80.2 | Confident | 72.3 | Confident | 175 Ų | 175 | 123.7 Ų | 123.7 | 69% | 0.686 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59 | -43.1 | -179.8 | -152 | -90.7 | 0 | 0 | 0 | 112.4 | K7 Q8 T14 L15 | K7-Y11 PolarHBondContact O-N 3.39Å; Q8-Y11 WeakPolarHBondContact O-CB 3.27Å; Q8-Y11 PolarHBondContact O-N 3.19Å; Y11-T14 PolarHBondContact O-N 2.84Å; Y11-L15 VanDerWaalsContact O-CB 3.31Å; Y11-L15 WeakPolarHBondContact O-CB 3.3Å; Y11-L15 PolarHBondContact O-N 3.4Å |
| 12 | L | 77 | Confident | 74.2 | Confident | 102 Ų | 102 | 118.6 Ų | 118.6 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 175.6 | -110.7 | 154.7 | 0 | 0 | 0 | 112.5 | Q8 I10 L15 C16 | Q8-L12 WeakPolarHBondContact O-CB 3.31Å; Q8-L12 PolarHBondContact O-N 2.66Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.8Å; L12-L15 PolarHBondContact O-N 2.99Å; L12-C16 WeakPolarHBondContact O-CB 3.29Å; L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 PolarHBondContact O-SG 3.35Å; L12-C16 VanDerWaalsContact O-SG 3.34Å |
| 13 | V | 76.5 | Confident | 75.9 | Confident | 91 Ų | 91 | 115.5 Ų | 115.5 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.9 | -44.3 | 175.2 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L9 I10 L15 C16 S17 | L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3.5Å; L9-V13 PolarHBondContact O-N 2.89Å; I10-V13 PolarHBondContact O-N 3.18Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 2.92Å; V13-C16 PolarHBondContact O-N 2.79Å; V13-S17 PolarHBondContact O-N 2.89Å; V13-S17 PolarHBondContact O-OG 3.36Å |
| 14 | T | 79.7 | Confident | 76.4 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.7 | -42.8 | 175.4 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | I10 Y11 S17 Y18 | I10-T14 PolarHBondContact O-N 2.84Å; I10-T14 PolarHBondContact O-OG1 3.38Å; Y11-T14 PolarHBondContact O-N 2.84Å; T14-S17 PolarHBondContact O-N 3.31Å; T14-Y18 WeakPolarHBondContact O-CB 3.41Å; T14-Y18 PolarHBondContact O-N 3.37Å |
| 15 | L | 81.2 | Confident | 76.9 | Confident | 86 Ų | 86 | 112.1 Ų | 112.1 | 45% | 0.45 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.3 | -45.4 | 178 | -160.9 | 79.8 | 0 | 0 | 0 | 111.6 | Y11 L12 V13 Y18 I19 | Y11-L15 VanDerWaalsContact O-CB 3.31Å; Y11-L15 WeakPolarHBondContact O-CB 3.3Å; Y11-L15 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 2.99Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 2.92Å; L15-Y18 PolarHBondContact O-N 3.2Å; L15-I19 HydrophobicContact CD2-CD1 4.28Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.26Å; L15-I19 PolarHBondContact O-N 3.47Å |
| 16 | C | 74.6 | Confident | 77.5 | Confident | 75 Ų | 75 | 110.7 Ų | 110.7 | 51% | 0.507 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.2 | -41.3 | 176.1 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | L12 V13 Y18 Y20 | L12-C16 WeakPolarHBondContact O-CB 3.29Å; L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 PolarHBondContact O-SG 3.35Å; L12-C16 VanDerWaalsContact O-SG 3.34Å; V13-C16 PolarHBondContact O-N 2.79Å; C16-Y18 VanDerWaalsContact C-N 3.33Å; C16-Y20 WeakPolarHBondContact O-CB 3.29Å; C16-Y20 PolarHBondContact O-N 2.93Å |
| 17 | S | 76 | Confident | 77.7 | Confident | 82 Ų | 82 | 106 Ų | 106 | 57% | 0.573 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.5 | -36.8 | 173.4 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | V13 T14 G21 | V13-S17 PolarHBondContact O-N 2.89Å; V13-S17 PolarHBondContact O-OG 3.36Å; T14-S17 PolarHBondContact O-N 3.31Å; S17-G21 PolarHBondContact O-N 3.12Å |
| 18 | Y | 81 | Confident | 77.6 | Confident | 153 Ų | 153 | 101.7 Ų | 101.7 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.5 | -43.3 | 177.3 | -161 | -93.9 | 0 | 0 | 0 | 111.9 | T14 L15 C16 G21 M22 | T14-Y18 WeakPolarHBondContact O-CB 3.41Å; T14-Y18 PolarHBondContact O-N 3.37Å; L15-Y18 PolarHBondContact O-N 3.2Å; C16-Y18 VanDerWaalsContact C-N 3.33Å; Y18-G21 PolarHBondContact O-N 3.39Å; Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CE1-CE 3.61Å; Y18-M22 HydrophobicContact CE1-CG 3.97Å; Y18-M22 HydrophobicContact CE2-CE 4.48Å; Y18-M22 WeakPolarHBondContact O-CB 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.34Å; Y18-M22 PolarHBondContact O-N 2.94Å; Y18-M22 VanDerWaalsContact OH-CE 3.29Å; Y18-M22 WeakPolarHBondContact OH-CE 3.26Å |
| 19 | I | 81.1 | Confident | 77.4 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 175.1 | -68.7 | 165.3 | 0 | 0 | 0 | 110.8 | L15 M22 L23 | L15-I19 HydrophobicContact CD2-CD1 4.28Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 VanDerWaalsContact O-CG1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.26Å; L15-I19 PolarHBondContact O-N 3.47Å; I19-M22 PolarHBondContact O-N 3.48Å; I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 PolarHBondContact O-N 3.03Å |
| 20 | Y | 78.7 | Confident | 77.2 | Confident | 164 Ų | 164 | 101.4 Ų | 101.4 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 177.8 | -163.3 | -90.2 | 0 | 0 | 0 | 111.8 | C16 L23 L24 | C16-Y20 WeakPolarHBondContact O-CB 3.29Å; C16-Y20 PolarHBondContact O-N 2.93Å; Y20-L23 PolarHBondContact O-N 2.94Å; Y20-L24 HydrophobicContact CD1-CD1 4.44Å; Y20-L24 HydrophobicContact CE1-CD1 3.87Å; Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 PolarHBondContact O-N 3.4Å |
| 21 | G | 82.8 | Confident | 76.4 | Confident | 41 Ų | 41 | 99.3 Ų | 99.3 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S17 Y18 L24 F25 | S17-G21 PolarHBondContact O-N 3.12Å; Y18-G21 PolarHBondContact O-N 3.39Å; G21-L24 PolarHBondContact O-N 3.39Å; G21-F25 VanDerWaalsContact O-CB 3.3Å; G21-F25 WeakPolarHBondContact O-CB 3.31Å; G21-F25 PolarHBondContact O-N 3.12Å |
| 22 | M | 79.1 | Confident | 75.7 | Confident | 88 Ų | 88 | 96 Ų | 96 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.3 | -78.3 | -66.9 | 176.9 | 0 | 0 | 112.3 | Y18 I19 L24 F25 V26 | Y18-M22 HydrophobicContact CD1-CG 4.09Å; Y18-M22 HydrophobicContact CE1-CE 3.61Å; Y18-M22 HydrophobicContact CE1-CG 3.97Å; Y18-M22 HydrophobicContact CE2-CE 4.48Å; Y18-M22 WeakPolarHBondContact O-CB 3.25Å; Y18-M22 WeakPolarHBondContact O-CG 3.34Å; Y18-M22 PolarHBondContact O-N 2.94Å; Y18-M22 VanDerWaalsContact OH-CE 3.29Å; Y18-M22 WeakPolarHBondContact OH-CE 3.26Å; I19-M22 PolarHBondContact O-N 3.48Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 3.04Å; M22-F25 PolarHBondContact O-N 2.87Å; M22-V26 WeakPolarHBondContact O-CB 3.39Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.24Å; M22-V26 PolarHBondContact O-N 3.21Å |
| 23 | L | 76.2 | Confident | 74.4 | Confident | 117 Ų | 117 | 99 Ų | 99 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 177.8 | -151.4 | 81.2 | 0 | 0 | 0 | 111.1 | I19 Y20 V26 T27 | I19-L23 WeakPolarHBondContact O-CB 3.42Å; I19-L23 PolarHBondContact O-N 3.03Å; Y20-L23 PolarHBondContact O-N 2.94Å; L23-V26 PolarHBondContact O-N 3.48Å; L23-T27 WeakPolarHBondContact O-CG2 3.11Å; L23-T27 PolarHBondContact O-N 3.49Å; L23-T27 PolarHBondContact O-OG1 3.35Å |
| 24 | L | 76.2 | Confident | 73 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.6 | -31.5 | 179.1 | -154 | 154.3 | 0 | 0 | 0 | 112.1 | Y20 G21 M22 T27 T28 | Y20-L24 HydrophobicContact CD1-CD1 4.44Å; Y20-L24 HydrophobicContact CE1-CD1 3.87Å; Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 PolarHBondContact O-N 3.4Å; G21-L24 PolarHBondContact O-N 3.39Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 3.04Å; L24-T27 PolarHBondContact O-OG1 3Å; L24-T28 HydrophobicContact CD2-CG2 4.07Å; L24-T28 WeakPolarHBondContact O-CB 3.12Å; L24-T28 WeakPolarHBondContact O-CG2 3.35Å; L24-T28 PolarHBondContact O-N 3.3Å; L24-T28 PolarHBondContact O-OG1 2.96Å |
| 25 | F | 78.6 | Confident | 71.3 | Confident | 132 Ų | 132 | 106.7 Ų | 106.7 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.3 | -39.7 | 170.3 | -174.5 | -98.3 | 0 | 0 | 0 | 111.9 | G21 M22 T28 T29 | G21-F25 VanDerWaalsContact O-CB 3.3Å; G21-F25 WeakPolarHBondContact O-CB 3.31Å; G21-F25 PolarHBondContact O-N 3.12Å; M22-F25 PolarHBondContact O-N 2.87Å; F25-T28 PolarHBondContact O-OG1 3.34Å; F25-T29 HydrophobicContact CD1-CG2 4.15Å; F25-T29 HydrophobicContact CD2-CG2 4.34Å; F25-T29 HydrophobicContact CE1-CG2 3.76Å; F25-T29 HydrophobicContact CE2-CG2 3.97Å; F25-T29 HydrophobicContact CG-CG2 4.43Å; F25-T29 HydrophobicContact CZ-CG2 3.66Å; F25-T29 WeakPolarHBondContact O-CB 3.45Å; F25-T29 WeakPolarHBondContact O-CG2 3.26Å; F25-T29 PolarHBondContact O-N 2.93Å; F25-T29 PolarHBondContact O-OG1 3.42Å |
| 26 | V | 76.2 | Confident | 69.5 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.5 | -45.8 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111 | M22 L23 T29 Y30 | M22-V26 WeakPolarHBondContact O-CB 3.39Å; M22-V26 VanDerWaalsContact O-CG2 3.32Å; M22-V26 WeakPolarHBondContact O-CG2 3.24Å; M22-V26 PolarHBondContact O-N 3.21Å; L23-V26 PolarHBondContact O-N 3.48Å; V26-T29 PolarHBondContact O-OG1 2.88Å; V26-Y30 VanDerWaalsContact O-CB 3.26Å; V26-Y30 WeakPolarHBondContact O-CB 3.33Å; V26-Y30 PolarHBondContact O-N 3.33Å |
| 27 | T | 72.8 | Confident | 67.7 | Low | 85 Ų | 85 | 113.5 Ų | 113.5 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.4 | -40.2 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | L23 L24 A31 | L23-T27 WeakPolarHBondContact O-CG2 3.11Å; L23-T27 PolarHBondContact O-N 3.49Å; L23-T27 PolarHBondContact O-OG1 3.35Å; L24-T27 PolarHBondContact O-OG1 3Å; T27-A31 VanDerWaalsContact O-CB 3.3Å; T27-A31 WeakPolarHBondContact O-CB 3.37Å; T27-A31 PolarHBondContact O-N 3.31Å |
| 28 | T | 73.3 | Confident | 65.8 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 37% | 0.368 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.1 | -40.5 | 176.6 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | L24 F25 A31 I32 | L24-T28 HydrophobicContact CD2-CG2 4.07Å; L24-T28 WeakPolarHBondContact O-CB 3.12Å; L24-T28 WeakPolarHBondContact O-CG2 3.35Å; L24-T28 PolarHBondContact O-N 3.3Å; L24-T28 PolarHBondContact O-OG1 2.96Å; F25-T28 PolarHBondContact O-OG1 3.34Å; T28-A31 PolarHBondContact O-N 2.9Å; T28-I32 WeakPolarHBondContact O-CB 3.5Å; T28-I32 WeakPolarHBondContact O-CD1 3.35Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.41Å |
| 29 | T | 72.1 | Confident | 63.5 | Low | 58 Ų | 58 | 115.6 Ų | 115.6 | 36% | 0.356 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.7 | -34.8 | 175.1 | 52 | 0 | 0 | 0 | 0 | 112.9 | F25 V26 K33 | F25-T29 HydrophobicContact CD1-CG2 4.15Å; F25-T29 HydrophobicContact CD2-CG2 4.34Å; F25-T29 HydrophobicContact CE1-CG2 3.76Å; F25-T29 HydrophobicContact CE2-CG2 3.97Å; F25-T29 HydrophobicContact CG-CG2 4.43Å; F25-T29 HydrophobicContact CZ-CG2 3.66Å; F25-T29 WeakPolarHBondContact O-CB 3.45Å; F25-T29 WeakPolarHBondContact O-CG2 3.26Å; F25-T29 PolarHBondContact O-N 2.93Å; F25-T29 PolarHBondContact O-OG1 3.42Å; V26-T29 PolarHBondContact O-OG1 2.88Å; T29-K33 WeakPolarHBondContact O-CB 3.38Å; T29-K33 PolarHBondContact O-N 3.42Å |
| 30 | Y | 67.8 | Low | 61.4 | Low | 161 Ų | 161 | 119.2 Ų | 119.2 | 63% | 0.631 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.3 | -43.6 | 173.8 | -157.1 | -100.3 | 0 | 0 | 0 | 111.5 | V26 K33 L34 | V26-Y30 VanDerWaalsContact O-CB 3.26Å; V26-Y30 WeakPolarHBondContact O-CB 3.33Å; V26-Y30 PolarHBondContact O-N 3.33Å; Y30-K33 PolarHBondContact O-N 3.45Å; Y30-L34 HydrophobicContact CD1-CD1 3.76Å; Y30-L34 HydrophobicContact CD1-CG 4.49Å; Y30-L34 HydrophobicContact CE1-CD1 3.73Å; Y30-L34 HydrophobicContact CE1-CG 4.41Å; Y30-L34 PolarHBondContact O-N 2.94Å |
| 31 | A | 62.5 | Low | 59.3 | Low | 55 Ų | 55 | 119.8 Ų | 119.8 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.5 | -47.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T27 T28 K33 L34 Y35 | T27-A31 VanDerWaalsContact O-CB 3.3Å; T27-A31 WeakPolarHBondContact O-CB 3.37Å; T27-A31 PolarHBondContact O-N 3.31Å; T28-A31 PolarHBondContact O-N 2.9Å; A31-K33 VanDerWaalsContact C-N 3.33Å; A31-K33 PolarHBondContact O-N 3.35Å; A31-L34 PolarHBondContact O-N 3.48Å; A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.38Å |
| 32 | I | 67.5 | Low | 57 | Low | 107 Ų | 107 | 122.6 Ų | 122.6 | 55% | 0.549 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.4 | -40 | 177 | -69.9 | 164.2 | 0 | 0 | 0 | 111.1 | T28 Y35 K36 | T28-I32 WeakPolarHBondContact O-CB 3.5Å; T28-I32 WeakPolarHBondContact O-CD1 3.35Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.41Å; I32-Y35 PolarHBondContact O-N 3.33Å; I32-K36 WeakPolarHBondContact O-CB 3.22Å; I32-K36 PolarHBondContact O-N 2.81Å; I32-K36 VanDerWaalsContact O-N 3.12Å |
| 33 | K | 47.7 | Very low | 55 | Low | 164 Ų | 164 | 124.5 Ų | 124.5 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.5 | -29.6 | -179.2 | -163.4 | 172.5 | -175 | -178 | 0 | 112.8 | T29 Y30 A31 | T29-K33 WeakPolarHBondContact O-CB 3.38Å; T29-K33 PolarHBondContact O-N 3.42Å; Y30-K33 PolarHBondContact O-N 3.45Å; A31-K33 VanDerWaalsContact C-N 3.33Å; A31-K33 PolarHBondContact O-N 3.35Å |
| 34 | L | 48.6 | Very low | 52.9 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.8 | -42.5 | 167.1 | -78.6 | 165.7 | 0 | 0 | 0 | 111.9 | Y30 A31 K36 | Y30-L34 HydrophobicContact CD1-CD1 3.76Å; Y30-L34 HydrophobicContact CD1-CG 4.49Å; Y30-L34 HydrophobicContact CE1-CD1 3.73Å; Y30-L34 HydrophobicContact CE1-CG 4.41Å; Y30-L34 PolarHBondContact O-N 2.94Å; A31-L34 PolarHBondContact O-N 3.48Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.9Å |
| 35 | Y | 44.2 | Very low | 51.1 | Low | 216 Ų | 216 | 128.3 Ų | 128.3 | 85% | 0.847 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.7 | -21.7 | -177.1 | -134.1 | -83.8 | 0 | 0 | 0 | 114.3 | A31 I32 | A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.38Å; I32-Y35 PolarHBondContact O-N 3.33Å |
| 36 | K | 42 | Very low | 49 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 3.2 | -170.2 | -143 | 177.4 | -174.3 | -176.6 | 0 | 115.4 | I32 L34 | I32-K36 WeakPolarHBondContact O-CB 3.22Å; I32-K36 PolarHBondContact O-N 2.81Å; I32-K36 VanDerWaalsContact O-N 3.12Å; L34-K36 VanDerWaalsContact C-N 3.28Å; L34-K36 PolarHBondContact O-N 2.9Å |
| 37 | N | 38 | Very low | 47.4 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -108.7 | 7.3 | -162.8 | -126.3 | 55.7 | 0 | 0 | 0 | 115.8 | ||
| 38 | N | 34.6 | Very low | 45.8 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | trans | -149.9 | 105.3 | 173.8 | -87.3 | -44.7 | 0 | 0 | 0 | 111.3 | ||||
| 39 | S | 33.7 | Very low | 43.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -159 | 131.3 | 167.7 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 40 | L | 36.6 | Very low | 42.2 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -147.8 | 159.6 | 171.2 | -105.3 | 160.1 | 0 | 0 | 0 | 108.9 | ||||
| 41 | Q | 34 | Very low | 40.9 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -108.5 | 178 | -147.7 | -62.1 | 172.1 | -89.9 | 0 | 0 | 116.2 | ||||
| 42 | S | 34.7 | Very low | 39.6 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | trans | 90.8 | 141.2 | 160.3 | 83.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 43 | N | 37.2 | Very low | 38 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -144.4 | 155.9 | 6.4 | -105.8 | -30.5 | 0 | 0 | 0 | 113.1 | ||||
| 44 | H | 33.5 | Very low | 37.7 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 46% | 0.463 | 75% | 0.753 | S | S | . | * | trans | -102.7 | 128.5 | 167.8 | -108.1 | -47.3 | 0 | 0 | 0 | 109.4 | N1085 N1086 | H44-N1085 PolarHBondContact CD2-OD1 2.79Å; H44-N1085 PolarHBondContact NE2-ND2 2.84Å; H44-N1085 PolarHBondContact NE2-OD1 2.96Å; H44-N1086 PolarHBondContact CD2-ND2 3.15Å; H44-N1086 PolarHBondContact CE1-OD1 3.5Å; H44-N1086 VanDerWaalsContact CG-ND2 3.27Å; H44-N1086 PolarHBondContact ND1-ND2 3.24Å; H44-N1086 VanDerWaalsContact ND1-ND2 3.16Å; H44-N1086 PolarHBondContact NE2-OD1 2.84Å | ||
| 45 | H | 36.8 | Very low | 37.2 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -170 | 7.6 | 161.9 | -111.4 | -60.8 | 0 | 0 | 0 | 116.8 | ||||
| 46 | L | 35.6 | Very low | 37.3 | Very low | 149 Ų | 149 | 148.8 Ų | 148.8 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -109.8 | -3.2 | -165.6 | -150.3 | 77.6 | 0 | 0 | 0 | 116 | ||||
| 47 | V | 42.3 | Very low | 38 | Very low | 89 Ų | 89 | 147.5 Ų | 147.5 | 54% | 0.539 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -83.8 | -36.2 | -164.6 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | Y49 L50 | V47-Y49 PolarHBondContact O-N 2.81Å; V47-Y49 VanDerWaalsContact O-N 3.13Å; V47-L50 PolarHBondContact O-N 3.45Å |
| 48 | D | 38.2 | Very low | 39.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -66.9 | -17.4 | -175.3 | -57.2 | -54.9 | 0 | 0 | 0 | 113.5 | L50 | D48-L50 PolarHBondContact O-N 2.84Š|
| 49 | Y | 32.2 | Very low | 41.3 | Very low | 214 Ų | 214 | 136.2 Ų | 136.2 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -76.1 | -5.6 | 179.8 | -139.2 | -86.5 | 0 | 0 | 0 | 114.1 | V47 | V47-Y49 PolarHBondContact O-N 2.81Å; V47-Y49 VanDerWaalsContact O-N 3.13Å |
| 50 | L | 37.8 | Very low | 43.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -100.6 | -1.8 | -176.3 | -69.1 | 171.6 | 0 | 0 | 0 | 114.1 | V47 D48 | V47-L50 PolarHBondContact O-N 3.45Å; D48-L50 PolarHBondContact O-N 2.84Å |
| 51 | H | 41.5 | Very low | 45.9 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -86.3 | -6.7 | -174.6 | -117.2 | -55.3 | 0 | 0 | 0 | 115.1 | ||
| 52 | E | 36 | Very low | 48.2 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 88% | 0.879 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -112.6 | 1.7 | -177.1 | -61.4 | -169.3 | 142.9 | 0 | 0 | 114.3 | ||
| 53 | S | 33 | Very low | 50.4 | Low | 79 Ų | 79 | 123 Ų | 123 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | trans | -83.4 | 117.4 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | H55 | S53-H55 PolarHBondContact O-N 2.97Š| ||
| 54 | E | 40.5 | Very low | 52.4 | Low | 184 Ų | 184 | 117 Ų | 117 | 86% | 0.86 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -67.5 | 7 | -172.8 | -57.4 | -172.5 | 124 | 0 | 0 | 116.1 | ||
| 55 | H | 39.1 | Very low | 54.4 | Low | 165 Ų | 165 | 115.2 Ų | 115.2 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | trans | -128.5 | 68 | -167.5 | -65.7 | 1.6 | 0 | 0 | 0 | 112.8 | S53 | S53-H55 PolarHBondContact O-N 2.97Š| ||
| 56 | F | 46.3 | Very low | 56.2 | Low | 152 Ų | 152 | 109.6 Ų | 109.6 | 67% | 0.667 | 55% | 0.552 | S | S | * | * | trans | -88.2 | 106.9 | 167.3 | -164.1 | -110.6 | 0 | 0 | 0 | 109.8 | P58 | F56-P58 HydrophobicContact CD1-CB 4.19Å; F56-P58 HydrophobicContact CD1-CG 4.23Å; F56-P58 HydrophobicContact CE1-CB 3.84Å; F56-P58 HydrophobicContact CE1-CG 4.34Å; F56-P58 WeakPolarHBondContact O-CD 3.32Å | ||
| 57 | Q | 57.4 | Low | 58.3 | Low | 147 Ų | 147 | 105.7 Ų | 105.7 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | trans | -99.2 | 90.4 | 171.2 | -74.7 | -177.1 | -17.5 | 0 | 0 | 109.6 | ||||
| 58 | P | 59.4 | Low | 59.8 | Low | 36 Ų | 36 | 106.5 Ų | 106.5 | 23% | 0.234 | 53% | 0.534 | C | S | . | . | trans | -71.9 | -43 | -178.6 | 24.2 | -31.9 | 0 | 0 | 0 | 113.1 | F56 I79 F83 | F56-P58 HydrophobicContact CD1-CB 4.19Å; F56-P58 HydrophobicContact CD1-CG 4.23Å; F56-P58 HydrophobicContact CE1-CB 3.84Å; F56-P58 HydrophobicContact CE1-CG 4.34Å; F56-P58 WeakPolarHBondContact O-CD 3.32Å; P58-I79 HydrophobicContact CB-CG2 3.83Å; P58-I79 VanDerWaalsContact O-CD1 3.32Å; P58-I79 WeakPolarHBondContact O-CD1 3.44Å; P58-I79 VanDerWaalsContact O-CG1 3.23Å; P58-I79 WeakPolarHBondContact O-CG1 3.38Å; P58-I79 WeakPolarHBondContact O-CG2 3.46Å; P58-F83 HydrophobicContact CB-CE1 3.64Å; P58-F83 HydrophobicContact CB-CZ 4.01Å; P58-F83 HydrophobicContact CG-CE1 4.24Å; P58-F83 HydrophobicContact CG-CZ 4.35Å | ||
| 59 | C | 81.4 | Confident | 61.6 | Low | 19 Ų | 19 | 103.6 Ų | 103.6 | 13% | 0.128 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -99.4 | 150.9 | -164.8 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | E61 I73 C75 | C59-E61 PolarHBondContact O-N 3.34Å; C59-I73 HydrophobicContact CB-CG2 3.56Å; C59-C75 HydrophobicContact CB-CB 4.01Å; C59-C75 WeakPolarHBondContact CB-SG 3.31Å; C59-C75 WeakPolarHBondContact SG-CB 3.4Å; C59-C75 CovalentContact SG-SG 2.03Å; C59-C75 PolarHBondContact SG-SG 3.36Å |
| 60 | I | 83.9 | Confident | 64 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.7 | 179.6 | -58.3 | 172.5 | 0 | 0 | 0 | 108.9 | I74 I79 | I60-I74 PolarHBondContact N-O 2.84Å; I60-I74 PolarHBondContact O-N 3.3Å; I60-I79 HydrophobicContact CD1-CD1 4.26Å; I60-I79 HydrophobicContact CG1-CD1 3.94Å |
| 61 | E | 82.5 | Confident | 66.2 | Low | 57 Ų | 57 | 89.6 Ų | 89.6 | 27% | 0.266 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.8 | 165.7 | -70.6 | 179.1 | -151.6 | 0 | 0 | 110.2 | C59 K71 M72 I73 S93 Y97 | C59-E61 PolarHBondContact O-N 3.34Å; E61-K71 HydrophobicContact CB-CD 4.06Å; E61-K71 HydrophobicContact CG-CD 4.47Å; E61-K71 VanDerWaalsContact OE2-CD 3.28Å; E61-K71 WeakPolarHBondContact OE2-CD 3.45Å; E61-K71 IonicContact OE2-NZ 3.09Å; E61-K71 PolarHBondContact OE2-NZ 3.34Å; E61-M72 WeakPolarHBondContact CA-O 3.28Å; E61-I73 HydrophobicContact CG-CG1 4.38Å; E61-S93 VanDerWaalsContact OE1-CB 3.24Å; E61-S93 WeakPolarHBondContact OE1-CB 3.47Å; E61-S93 PolarHBondContact OE1-OG 3.34Å; E61-S93 PolarHBondContact OE2-OG 2.73Å; E61-Y97 PolarHBondContact OE1-OH 3.23Å; E61-Y97 VanDerWaalsContact OE1-OH 3.07Å; E61-Y97 PolarHBondContact OE2-OH 2.9Å |
| 62 | Q | 83.7 | Confident | 68.4 | Low | 76 Ų | 76 | 81.9 Ų | 81.9 | 36% | 0.355 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152 | 174 | 64.8 | 177.7 | 32.3 | 0 | 0 | 110.3 | K71 M72 I74 | Q62-K71 CarbonylContact O-C 3.58Å; Q62-K71 VanDerWaalsContact O-CA 3.22Å; Q62-K71 WeakPolarHBondContact O-CA 3.5Å; Q62-K71 WeakPolarHBondContact O-CB 3.33Å; Q62-M72 HydrophobicContact CG-CB 3.93Å; Q62-M72 PolarHBondContact N-O 3.44Å; Q62-M72 PolarHBondContact O-N 3.43Å; Q62-I74 HydrophobicContact CG-CD1 4.48Å |
| 63 | S | 81.2 | Confident | 70.9 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 61% | 0.608 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 143.2 | 171.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | P65 | S63-P65 WeakPolarHBondContact O-CD 3.27Å |
| 64 | D | 79.3 | Confident | 73.6 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | trans | -76 | 121 | 173.6 | -178.5 | -30.6 | 0 | 0 | 0 | 110.1 | I66 Y67 A70 M72 S100 | D64-I66 PolarHBondContact O-N 2.84Å; D64-I66 VanDerWaalsContact OD1-CA 3.3Å; D64-I66 WeakPolarHBondContact OD1-CA 3.48Å; D64-I66 VanDerWaalsContact OD1-CB 3.24Å; D64-I66 WeakPolarHBondContact OD1-CB 3.35Å; D64-I66 PolarHBondContact OD1-N 2.76Å; D64-Y67 WeakPolarHBondContact CB-O 3.46Å; D64-Y67 CarbonylContact O-C 3.57Å; D64-Y67 PolarHBondContact O-N 3.21Å; D64-Y67 PolarHBondContact OD1-N 3.41Å; D64-A70 HydrophobicContact CB-CB 4.22Å; D64-A70 PolarHBondContact N-O 2.85Å; D64-M72 HydrophobicContact CB-CE 4.04Å; D64-M72 HydrophobicContact CB-CG 4.06Å; D64-M72 VanDerWaalsContact CG-CE 3.42Å; D64-M72 WeakPolarHBondContact OD2-CE 3.27Å; D64-S100 WeakPolarHBondContact OD2-CB 3.26Å; D64-S100 PolarHBondContact OD2-OG 3.28Å | ||
| 65 | P | 75.3 | Confident | 75.9 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 40% | 0.403 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -70.5 | -14.2 | 180 | 29.6 | -36.3 | 0 | 0 | 0 | 114 | S63 K642 | S63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-K642 PolarHBondContact O-NZ 2.8Å |
| 66 | I | 74.6 | Confident | 78.3 | Confident | 68 Ų | 68 | 59 Ų | 59 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -85.4 | -44.3 | 171 | -52 | 178.9 | 0 | 0 | 0 | 109.8 | D64 | D64-I66 PolarHBondContact O-N 2.84Å; D64-I66 VanDerWaalsContact OD1-CA 3.3Å; D64-I66 WeakPolarHBondContact OD1-CA 3.48Å; D64-I66 VanDerWaalsContact OD1-CB 3.24Å; D64-I66 WeakPolarHBondContact OD1-CB 3.35Å; D64-I66 PolarHBondContact OD1-N 2.76Å |
| 67 | Y | 77.9 | Confident | 80.1 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | trans | -124.2 | 87.8 | -175.9 | -58.9 | -81.7 | 0 | 0 | 0 | 112 | D64 T69 A70 I136 I137 | D64-Y67 WeakPolarHBondContact CB-O 3.46Å; D64-Y67 CarbonylContact O-C 3.57Å; D64-Y67 PolarHBondContact O-N 3.21Å; D64-Y67 PolarHBondContact OD1-N 3.41Å; Y67-T69 PolarHBondContact O-N 2.85Å; Y67-A70 WeakPolarHBondContact O-CB 3.31Å; Y67-A70 PolarHBondContact O-N 3.41Å; Y67-I136 PolarHBondContact OH-O 2.93Å; Y67-I137 HydrophobicContact CD1-CB 4.49Å; Y67-I137 HydrophobicContact CD1-CG1 3.62Å; Y67-I137 HydrophobicContact CD2-CG1 4.33Å; Y67-I137 HydrophobicContact CD2-CG2 4.13Å; Y67-I137 HydrophobicContact CE1-CB 4.48Å; Y67-I137 HydrophobicContact CE1-CG1 3.97Å; Y67-I137 HydrophobicContact CE2-CG2 4.31Å; Y67-I137 HydrophobicContact CG-CG1 3.81Å; Y67-I137 HydrophobicContact CG-CG2 4.39Å | ||
| 68 | P | 75.1 | Confident | 81.4 | Confident | 107 Ų | 107 | 55.6 Ų | 55.6 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.7 | -173.1 | -27.8 | 36.2 | 0 | 0 | 0 | 116.4 | A70 | P68-A70 VanDerWaalsContact C-N 3.32Š|
| 69 | T | 76.6 | Confident | 82.5 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -1.5 | 174 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | Y67 | Y67-T69 PolarHBondContact O-N 2.85Š|
| 70 | A | 81 | Confident | 82.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 155.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D64 Y67 P68 L98 I137 | D64-A70 HydrophobicContact CB-CB 4.22Å; D64-A70 PolarHBondContact N-O 2.85Å; Y67-A70 WeakPolarHBondContact O-CB 3.31Å; Y67-A70 PolarHBondContact O-N 3.41Å; P68-A70 VanDerWaalsContact C-N 3.32Å; A70-L98 CarbonylContact C-O 3.52Å; A70-L98 WeakPolarHBondContact CA-O 3.33Å; A70-L98 HydrophobicContact CB-CB 4.38Å; A70-L98 WeakPolarHBondContact CB-O 3.49Å; A70-I137 HydrophobicContact CB-CD1 4.18Å |
| 71 | K | 84.7 | Confident | 82.8 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.7 | 169.4 | -59.1 | -165.3 | -161.3 | 173.2 | 0 | 111.2 | E61 Q62 D94 Y97 L98 I99 S100 | E61-K71 HydrophobicContact CB-CD 4.06Å; E61-K71 HydrophobicContact CG-CD 4.47Å; E61-K71 VanDerWaalsContact OE2-CD 3.28Å; E61-K71 WeakPolarHBondContact OE2-CD 3.45Å; E61-K71 IonicContact OE2-NZ 3.09Å; E61-K71 PolarHBondContact OE2-NZ 3.34Å; Q62-K71 CarbonylContact O-C 3.58Å; Q62-K71 VanDerWaalsContact O-CA 3.22Å; Q62-K71 WeakPolarHBondContact O-CA 3.5Å; Q62-K71 WeakPolarHBondContact O-CB 3.33Å; K71-D94 IonicContact NZ-OD2 2.68Å; K71-Y97 HydrophobicContact CB-CD2 3.83Å; K71-Y97 HydrophobicContact CB-CE2 3.89Å; K71-Y97 HydrophobicContact CD-CD1 4.01Å; K71-Y97 HydrophobicContact CD-CD2 3.8Å; K71-Y97 HydrophobicContact CD-CE1 3.88Å; K71-Y97 HydrophobicContact CD-CE2 3.69Å; K71-Y97 HydrophobicContact CD-CG 3.98Å; K71-Y97 HydrophobicContact CG-CD1 4.48Å; K71-Y97 HydrophobicContact CG-CD2 3.62Å; K71-Y97 HydrophobicContact CG-CE2 3.92Å; K71-Y97 HydrophobicContact CG-CG 3.95Å; K71-L98 PolarHBondContact N-O 2.83Å; K71-I99 WeakPolarHBondContact O-CA 3.45Å; K71-S100 PolarHBondContact O-N 2.86Å; K71-S100 PolarHBondContact O-OG 2.97Å |
| 72 | M | 87.7 | Confident | 82.8 | Confident | 19 Ų | 19 | 57 Ų | 57 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.5 | 160.7 | -54.3 | -175.8 | 169 | 0 | 0 | 109.5 | E61 Q62 D64 I101 | E61-M72 WeakPolarHBondContact CA-O 3.28Å; Q62-M72 HydrophobicContact CG-CB 3.93Å; Q62-M72 PolarHBondContact N-O 3.44Å; Q62-M72 PolarHBondContact O-N 3.43Å; D64-M72 HydrophobicContact CB-CE 4.04Å; D64-M72 HydrophobicContact CB-CG 4.06Å; D64-M72 VanDerWaalsContact CG-CE 3.42Å; D64-M72 WeakPolarHBondContact OD2-CE 3.27Å; M72-I101 CarbonylContact C-O 3.54Å; M72-I101 VanDerWaalsContact CA-O 3.26Å; M72-I101 WeakPolarHBondContact CA-O 3.36Å; M72-I101 HydrophobicContact CB-CB 4.3Å; M72-I101 HydrophobicContact CE-CB 4.4Å; M72-I101 HydrophobicContact CE-CD1 3.56Å; M72-I101 HydrophobicContact CE-CG1 3.93Å; M72-I101 HydrophobicContact CG-CB 3.97Å; M72-I101 HydrophobicContact CG-CG1 4.39Å; M72-I101 HydrophobicContact SD-CB 4.26Å; M72-I101 HydrophobicContact SD-CD1 4.25Å; M72-I101 HydrophobicContact SD-CG1 4.43Å |
| 73 | I | 88.2 | Confident | 82.9 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.7 | 170.9 | -59.8 | -179.8 | 0 | 0 | 0 | 107.8 | C59 E61 I90 I99 I101 I102 H103 | C59-I73 HydrophobicContact CB-CG2 3.56Å; E61-I73 HydrophobicContact CG-CG1 4.38Å; I73-I90 HydrophobicContact CD1-CG2 4.48Å; I73-I99 HydrophobicContact CD1-CD1 3.63Å; I73-I99 HydrophobicContact CD1-CG1 4.18Å; I73-I99 HydrophobicContact CD1-CG2 4.45Å; I73-I99 HydrophobicContact CG1-CG2 4.49Å; I73-I101 PolarHBondContact N-O 2.96Å; I73-I102 CarbonylContact O-C 3.57Å; I73-I102 WeakPolarHBondContact O-CA 3.19Å; I73-H103 PolarHBondContact O-N 3.15Å |
| 74 | I | 89.6 | Confident | 83.2 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 7% | 0.072 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.3 | -179.7 | -54.7 | -172.5 | 0 | 0 | 0 | 110.7 | I60 Q62 R76 H103 | I60-I74 PolarHBondContact N-O 2.84Å; I60-I74 PolarHBondContact O-N 3.3Å; Q62-I74 HydrophobicContact CG-CD1 4.48Å; I74-R76 HydrophobicContact CG2-CG 3.97Å; I74-H103 WeakPolarHBondContact CA-O 3.42Å; I74-H103 HydrophobicContact CG1-CB 4.45Å |
| 75 | C | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 98.6 | 176.9 | -46.4 | 0 | 0 | 0 | 0 | 108.9 | C59 I79 T80 F83 H103 I104 E105 | C59-C75 HydrophobicContact CB-CB 4.01Å; C59-C75 WeakPolarHBondContact CB-SG 3.31Å; C59-C75 WeakPolarHBondContact SG-CB 3.4Å; C59-C75 CovalentContact SG-SG 2.03Å; C59-C75 PolarHBondContact SG-SG 3.36Å; C75-I79 HydrophobicContact CB-CG2 4.32Å; C75-T80 HydrophobicContact CB-CG2 3.63Å; C75-T80 VanDerWaalsContact O-CG2 3.27Å; C75-T80 WeakPolarHBondContact O-CG2 3.48Å; C75-F83 HydrophobicContact CB-CE2 4.39Å; C75-F83 HydrophobicContact CB-CZ 4.34Å; C75-H103 PolarHBondContact N-O 2.76Å; C75-I104 HydrophobicContact CB-CB 4.34Å; C75-I104 HydrophobicContact CB-CG1 4.26Å; C75-I104 HydrophobicContact CB-CG2 4.04Å; C75-E105 PolarHBondContact O-N 3.33Å |
| 76 | R | 88.3 | Confident | 84.5 | Confident | 115 Ų | 115 | 59.1 Ų | 59.1 | 43% | 0.434 | 31% | 0.305 | S | S | . | . | trans | -83.9 | 173 | -179.2 | -68 | -173.1 | 174.4 | 147.8 | 3.1 | 112.7 | I74 D78 I79 T80 | I74-R76 HydrophobicContact CG2-CG 3.97Å; R76-D78 VanDerWaalsContact C-N 3.32Å; R76-D78 VanDerWaalsContact CB-OD1 3.24Å; R76-D78 WeakPolarHBondContact CB-OD1 3.3Å; R76-D78 PolarHBondContact O-N 3.28Å; R76-I79 WeakPolarHBondContact O-CB 3.5Å; R76-I79 PolarHBondContact O-N 2.9Å; R76-I79 VanDerWaalsContact O-N 3.08Å; R76-T80 WeakPolarHBondContact O-CG2 3.34Å; R76-T80 PolarHBondContact O-N 2.99Å; R76-T80 PolarHBondContact O-OG1 3.38Å; R76-T80 VanDerWaalsContact O-OG1 3.08Å | ||
| 77 | E | 84.8 | Confident | 85.2 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 58% | 0.584 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -53.9 | -40.9 | -175.8 | -171 | 176.8 | 172.1 | 0 | 0 | 114.3 | I79 T80 S81 N106 | E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.22Å; E77-T80 WeakPolarHBondContact CA-OG1 3.3Å; E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 3.36Å; E77-N106 HydrophobicContact CB-CB 4Å; E77-N106 HydrophobicContact CG-CB 4.29Å |
| 78 | D | 84 | Confident | 85.6 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61 | -40.2 | 177.5 | 58.7 | -26.6 | 0 | 0 | 0 | 112.5 | R76 S81 Q82 | R76-D78 VanDerWaalsContact C-N 3.32Å; R76-D78 VanDerWaalsContact CB-OD1 3.24Å; R76-D78 WeakPolarHBondContact CB-OD1 3.3Å; R76-D78 PolarHBondContact O-N 3.28Å; D78-S81 PolarHBondContact O-OG 3.47Å; D78-Q82 PolarHBondContact O-NE2 2.92Å |
| 79 | I | 83 | Confident | 86 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.8 | -53.8 | 176.4 | -68.6 | 157.4 | 0 | 0 | 0 | 110.6 | P58 I60 C75 R76 E77 S81 Q82 F83 | P58-I79 HydrophobicContact CB-CG2 3.83Å; P58-I79 VanDerWaalsContact O-CD1 3.32Å; P58-I79 WeakPolarHBondContact O-CD1 3.44Å; P58-I79 VanDerWaalsContact O-CG1 3.23Å; P58-I79 WeakPolarHBondContact O-CG1 3.38Å; P58-I79 WeakPolarHBondContact O-CG2 3.46Å; I60-I79 HydrophobicContact CD1-CD1 4.26Å; I60-I79 HydrophobicContact CG1-CD1 3.94Å; C75-I79 HydrophobicContact CB-CG2 4.32Å; R76-I79 WeakPolarHBondContact O-CB 3.5Å; R76-I79 PolarHBondContact O-N 2.9Å; R76-I79 VanDerWaalsContact O-N 3.08Å; E77-I79 VanDerWaalsContact C-N 3.32Å; E77-I79 PolarHBondContact O-N 3.22Å; I79-S81 PolarHBondContact O-N 3.21Å; I79-Q82 WeakPolarHBondContact O-CB 3.46Å; I79-Q82 PolarHBondContact O-N 3.46Å; I79-Q82 VanDerWaalsContact O-N 3.09Å; I79-F83 HydrophobicContact CG2-CE1 3.83Å; I79-F83 HydrophobicContact CG2-CZ 3.74Å; I79-F83 WeakPolarHBondContact O-CE1 3.47Å |
| 80 | T | 85.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -24.5 | -173.4 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | C75 R76 E77 Q82 F83 I104 E105 N107 | C75-T80 HydrophobicContact CB-CG2 3.63Å; C75-T80 VanDerWaalsContact O-CG2 3.27Å; C75-T80 WeakPolarHBondContact O-CG2 3.48Å; R76-T80 WeakPolarHBondContact O-CG2 3.34Å; R76-T80 PolarHBondContact O-N 2.99Å; R76-T80 PolarHBondContact O-OG1 3.38Å; R76-T80 VanDerWaalsContact O-OG1 3.08Å; E77-T80 WeakPolarHBondContact CA-OG1 3.3Å; T80-Q82 PolarHBondContact O-N 3.33Å; T80-F83 HydrophobicContact CG2-CD2 4.17Å; T80-F83 HydrophobicContact CG2-CE2 3.76Å; T80-F83 HydrophobicContact CG2-CZ 4.26Å; T80-F83 WeakPolarHBondContact O-CB 3.32Å; T80-F83 PolarHBondContact O-N 3.47Å; T80-F83 VanDerWaalsContact O-N 3.08Å; T80-I104 HydrophobicContact CG2-CG2 3.63Å; T80-E105 PolarHBondContact OG1-O 3.16Å; T80-N107 PolarHBondContact O-ND2 2.93Å; T80-N107 WeakPolarHBondContact OG1-CB 3.19Å |
| 81 | S | 85.2 | Confident | 86.1 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -53.2 | -32.4 | 171.4 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | E77 D78 I79 F83 | E77-S81 WeakPolarHBondContact O-CB 3.32Å; E77-S81 PolarHBondContact O-N 3.36Å; D78-S81 PolarHBondContact O-OG 3.47Å; I79-S81 PolarHBondContact O-N 3.21Å; S81-F83 VanDerWaalsContact C-N 3.3Å; S81-F83 PolarHBondContact O-N 2.95Å |
| 82 | Q | 83.2 | Confident | 85.6 | Confident | 128 Ų | 128 | 54.8 Ų | 54.8 | 60% | 0.598 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -79.1 | -13.1 | -176.9 | -56.3 | 174.6 | 46.9 | 0 | 0 | 112.7 | D78 I79 T80 G84 | D78-Q82 PolarHBondContact O-NE2 2.92Å; I79-Q82 WeakPolarHBondContact O-CB 3.46Å; I79-Q82 PolarHBondContact O-N 3.46Å; I79-Q82 VanDerWaalsContact O-N 3.09Å; T80-Q82 PolarHBondContact O-N 3.33Å; Q82-G84 PolarHBondContact O-N 2.89Å |
| 83 | F | 85.9 | Confident | 84.6 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -76.4 | -6.9 | -177.3 | -58.9 | -3.1 | 0 | 0 | 0 | 113.1 | P58 C75 I79 T80 S81 N85 R86 P88 I110 | P58-F83 HydrophobicContact CB-CE1 3.64Å; P58-F83 HydrophobicContact CB-CZ 4.01Å; P58-F83 HydrophobicContact CG-CE1 4.24Å; P58-F83 HydrophobicContact CG-CZ 4.35Å; C75-F83 HydrophobicContact CB-CE2 4.39Å; C75-F83 HydrophobicContact CB-CZ 4.34Å; I79-F83 HydrophobicContact CG2-CE1 3.83Å; I79-F83 HydrophobicContact CG2-CZ 3.74Å; I79-F83 WeakPolarHBondContact O-CE1 3.47Å; T80-F83 HydrophobicContact CG2-CD2 4.17Å; T80-F83 HydrophobicContact CG2-CE2 3.76Å; T80-F83 HydrophobicContact CG2-CZ 4.26Å; T80-F83 WeakPolarHBondContact O-CB 3.32Å; T80-F83 PolarHBondContact O-N 3.47Å; T80-F83 VanDerWaalsContact O-N 3.08Å; S81-F83 VanDerWaalsContact C-N 3.3Å; S81-F83 PolarHBondContact O-N 2.95Å; F83-N85 PolarHBondContact O-N 3.33Å; F83-R86 WeakPolarHBondContact CB-O 3.01Å; F83-P88 HydrophobicContact CD1-CG 3.97Å; F83-P88 HydrophobicContact CD2-CG 3.73Å; F83-P88 HydrophobicContact CE1-CG 4.06Å; F83-P88 HydrophobicContact CE2-CG 3.79Å; F83-P88 HydrophobicContact CG-CG 3.82Å; F83-P88 HydrophobicContact CZ-CG 3.96Å; F83-I110 HydrophobicContact CB-CD1 4.15Å; F83-I110 HydrophobicContact CD2-CD1 3.82Å; F83-I110 HydrophobicContact CG-CD1 4.45Å |
| 84 | G | 86.7 | Confident | 83.5 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -121.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q82 | Q82-G84 PolarHBondContact O-N 2.89Š|
| 85 | N | 90.5 | Very high | 82.3 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 11.6 | -176.5 | 72.1 | -3.5 | 0 | 0 | 0 | 115.4 | F83 N109 E111 I112 | F83-N85 PolarHBondContact O-N 3.33Å; N85-N109 VanDerWaalsContact CA-O 3.24Å; N85-N109 WeakPolarHBondContact CA-O 3.43Å; N85-N109 WeakPolarHBondContact CB-O 3.48Å; N85-E111 PolarHBondContact O-N 3.47Å; N85-I112 PolarHBondContact O-N 3.07Å |
| 86 | R | 90.7 | Very high | 81.4 | Confident | 126 Ų | 126 | 71.4 Ų | 71.4 | 48% | 0.475 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -131.1 | 148.2 | -173.3 | -77 | 164.8 | -170.3 | -138.5 | 1.7 | 110.1 | F83 I112 T114 | F83-R86 WeakPolarHBondContact CB-O 3.01Å; R86-I112 CarbonylContact C-O 3.53Å; R86-I112 WeakPolarHBondContact CA-O 3.3Å; R86-I112 HydrophobicContact CG-CB 3.91Å; R86-I112 HydrophobicContact CG-CD1 4.07Å; R86-I112 HydrophobicContact CG-CG2 4.23Å; R86-T114 HydrophobicContact CB-CG2 3.64Å; R86-T114 HydrophobicContact CG-CG2 3.65Å |
| 87 | L | 89.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 127.6 | 158 | -69.4 | 175.1 | 0 | 0 | 0 | 108.4 | I104 I110 I112 T114 T117 F118 L146 L148 | L87-I104 HydrophobicContact CD2-CD1 3.87Å; L87-I104 HydrophobicContact CD2-CG2 4.16Å; L87-I110 HydrophobicContact CD2-CD1 4.29Å; L87-I110 HydrophobicContact CD2-CG2 3.86Å; L87-I110 HydrophobicContact CG-CG2 3.85Å; L87-I112 PolarHBondContact N-O 2.83Å; L87-T114 WeakPolarHBondContact O-CG2 3.21Å; L87-T114 PolarHBondContact O-OG1 2.7Å; L87-T117 HydrophobicContact CB-CG2 3.69Å; L87-T117 HydrophobicContact CD1-CG2 4.14Å; L87-F118 HydrophobicContact CD1-CZ 4.41Å; L87-L146 HydrophobicContact CD2-CD1 4.39Å; L87-L148 HydrophobicContact CD1-CD1 4.22Å; L87-L148 HydrophobicContact CD1-CD2 4.22Å; L87-L148 HydrophobicContact CG-CD2 4.38Å |
| 88 | P | 86.3 | Confident | 80.4 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 167.2 | 174.4 | 34 | -35.8 | 0 | 0 | 0 | 110.2 | F83 I90 | F83-P88 HydrophobicContact CD1-CG 3.97Å; F83-P88 HydrophobicContact CD2-CG 3.73Å; F83-P88 HydrophobicContact CE1-CG 4.06Å; F83-P88 HydrophobicContact CE2-CG 3.79Å; F83-P88 HydrophobicContact CG-CG 3.82Å; F83-P88 HydrophobicContact CZ-CG 3.96Å; P88-I90 PolarHBondContact O-N 3.25Å |
| 89 | M | 84.7 | Confident | 80.4 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 51% | 0.507 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 119.4 | 167.4 | -172 | -178.4 | -59.3 | 0 | 0 | 109 | I91 N120 | M89-I91 HydrophobicContact CG-CG1 4.16Å; M89-I91 HydrophobicContact SD-CD1 4.38Å; M89-I91 HydrophobicContact SD-CG1 4.37Å; M89-N120 PolarHBondContact SD-ND2 2.73Å |
| 90 | I | 83.4 | Confident | 80.6 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 125.4 | 175.9 | -50.3 | 179.7 | 0 | 0 | 0 | 107.6 | I73 P88 I102 I104 T117 F118 I121 | I73-I90 HydrophobicContact CD1-CG2 4.48Å; P88-I90 PolarHBondContact O-N 3.25Å; I90-I102 HydrophobicContact CD1-CG2 4.46Å; I90-I104 HydrophobicContact CD1-CD1 3.6Å; I90-T117 PolarHBondContact N-O 2.94Å; I90-F118 HydrophobicContact CD1-CD1 4.33Å; I90-F118 HydrophobicContact CD1-CE1 3.88Å; I90-I121 HydrophobicContact CB-CD1 3.7Å; I90-I121 HydrophobicContact CG2-CD1 3.72Å |
| 91 | I | 75.7 | Confident | 80.8 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | trans | -116.6 | 133.8 | -176 | -56.2 | 178 | 0 | 0 | 0 | 107.5 | M89 | M89-I91 HydrophobicContact CG-CG1 4.16Å; M89-I91 HydrophobicContact SD-CD1 4.38Å; M89-I91 HydrophobicContact SD-CG1 4.37Å | ||
| 92 | Q | 73.8 | Confident | 81 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | trans | -75.1 | 129.1 | 172.8 | -177.1 | 172.8 | -25 | 0 | 0 | 108.9 | D94 Y97 I99 | Q92-D94 WeakPolarHBondContact CG-O 3.26Å; Q92-D94 PolarHBondContact NE2-O 2.98Å; Q92-Y97 HydrophobicContact CG-CE1 4.34Å; Q92-Y97 HydrophobicContact CG-CE2 3.85Å; Q92-Y97 WeakPolarHBondContact CG-OH 3.34Å; Q92-Y97 PolarHBondContact NE2-O 3.44Å; Q92-I99 HydrophobicContact CB-CD1 4.12Å; Q92-I99 HydrophobicContact CG-CD1 3.92Å | ||
| 93 | S | 65.9 | Low | 81.5 | Confident | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -64.7 | -62.3 | -176.4 | 49.1 | 0 | 0 | 0 | 0 | 112.9 | E61 Y97 | E61-S93 VanDerWaalsContact OE1-CB 3.24Å; E61-S93 WeakPolarHBondContact OE1-CB 3.47Å; E61-S93 PolarHBondContact OE1-OG 3.34Å; E61-S93 PolarHBondContact OE2-OG 2.73Å; S93-Y97 PolarHBondContact N-OH 3.01Å; S93-Y97 PolarHBondContact OG-OH 3.3Å |
| 94 | D | 66.6 | Low | 81.8 | Confident | 88 Ų | 88 | 48.4 Ų | 48.4 | 47% | 0.471 | 26% | 0.258 | S | S | . | . | trans | -107.6 | 133 | 176.5 | -41.9 | -65.1 | 0 | 0 | 0 | 110.4 | K71 Q92 N96 Y97 | K71-D94 IonicContact NZ-OD2 2.68Å; Q92-D94 WeakPolarHBondContact CG-O 3.26Å; Q92-D94 PolarHBondContact NE2-O 2.98Å; D94-N96 PolarHBondContact O-N 2.94Å; D94-Y97 HydrophobicContact CB-CD1 3.94Å; D94-Y97 HydrophobicContact CB-CE1 3.74Å; D94-Y97 WeakPolarHBondContact O-CD1 3.41Å; D94-Y97 WeakPolarHBondContact O-CE1 3.36Å | ||
| 95 | N | 64.3 | Low | 81.9 | Confident | 99 Ų | 99 | 48.5 Ų | 48.5 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -1.2 | 177.7 | -67.9 | -50.2 | 0 | 0 | 0 | 114.5 | N124 | N95-N124 PolarHBondContact OD1-ND2 3.25Š|
| 96 | N | 69.7 | Low | 81.6 | Confident | 158 Ų | 158 | 47.5 Ų | 47.5 | 85% | 0.845 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.7 | -166 | -65.6 | 1.1 | 0 | 0 | 0 | 114.6 | D94 | D94-N96 PolarHBondContact O-N 2.94Š|
| 97 | Y | 74.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -128.6 | 160.8 | 178.2 | 64 | -98.9 | 0 | 0 | 0 | 112.1 | E61 K71 Q92 S93 D94 I99 | E61-Y97 PolarHBondContact OE1-OH 3.23Å; E61-Y97 VanDerWaalsContact OE1-OH 3.07Å; E61-Y97 PolarHBondContact OE2-OH 2.9Å; K71-Y97 HydrophobicContact CB-CD2 3.83Å; K71-Y97 HydrophobicContact CB-CE2 3.89Å; K71-Y97 HydrophobicContact CD-CD1 4.01Å; K71-Y97 HydrophobicContact CD-CD2 3.8Å; K71-Y97 HydrophobicContact CD-CE1 3.88Å; K71-Y97 HydrophobicContact CD-CE2 3.69Å; K71-Y97 HydrophobicContact CD-CG 3.98Å; K71-Y97 HydrophobicContact CG-CD1 4.48Å; K71-Y97 HydrophobicContact CG-CD2 3.62Å; K71-Y97 HydrophobicContact CG-CE2 3.92Å; K71-Y97 HydrophobicContact CG-CG 3.95Å; Q92-Y97 HydrophobicContact CG-CE1 4.34Å; Q92-Y97 HydrophobicContact CG-CE2 3.85Å; Q92-Y97 WeakPolarHBondContact CG-OH 3.34Å; Q92-Y97 PolarHBondContact NE2-O 3.44Å; S93-Y97 PolarHBondContact N-OH 3.01Å; S93-Y97 PolarHBondContact OG-OH 3.3Å; D94-Y97 HydrophobicContact CB-CD1 3.94Å; D94-Y97 HydrophobicContact CB-CE1 3.74Å; D94-Y97 WeakPolarHBondContact O-CD1 3.41Å; D94-Y97 WeakPolarHBondContact O-CE1 3.36Å; Y97-I99 HydrophobicContact CD2-CG1 4.28Å; Y97-I99 HydrophobicContact CE2-CD1 4.4Å; Y97-I99 HydrophobicContact CE2-CG1 3.8Å |
| 98 | L | 79.4 | Confident | 81.3 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 140 | 176.7 | -59.2 | 177.3 | 0 | 0 | 0 | 110 | A70 K71 N125 I137 | A70-L98 CarbonylContact C-O 3.52Å; A70-L98 WeakPolarHBondContact CA-O 3.33Å; A70-L98 HydrophobicContact CB-CB 4.38Å; A70-L98 WeakPolarHBondContact CB-O 3.49Å; K71-L98 PolarHBondContact N-O 2.83Å; L98-N125 VanDerWaalsContact CD2-ND2 3.27Å; L98-N125 WeakPolarHBondContact CD2-ND2 3.34Å; L98-I137 HydrophobicContact CB-CD1 4.1Å; L98-I137 HydrophobicContact CD1-CD1 3.5Å; L98-I137 HydrophobicContact CG-CD1 4.44Å |
| 99 | I | 82.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.6 | 172.7 | -63.6 | 162.4 | 0 | 0 | 0 | 108.6 | K71 I73 Q92 Y97 I102 I121 | K71-I99 WeakPolarHBondContact O-CA 3.45Å; I73-I99 HydrophobicContact CD1-CD1 3.63Å; I73-I99 HydrophobicContact CD1-CG1 4.18Å; I73-I99 HydrophobicContact CD1-CG2 4.45Å; I73-I99 HydrophobicContact CG1-CG2 4.49Å; Q92-I99 HydrophobicContact CB-CD1 4.12Å; Q92-I99 HydrophobicContact CG-CD1 3.92Å; Y97-I99 HydrophobicContact CD2-CG1 4.28Å; Y97-I99 HydrophobicContact CE2-CD1 4.4Å; Y97-I99 HydrophobicContact CE2-CG1 3.8Å; I99-I102 HydrophobicContact CG2-CD1 4.37Å; I99-I102 HydrophobicContact CG2-CG1 3.78Å; I99-I121 HydrophobicContact CD1-CG1 4.31Å; I99-I121 HydrophobicContact CD1-CG2 3.68Å |
| 100 | S | 87.5 | Confident | 81.7 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -52.2 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | D64 K71 R139 K140 | D64-S100 WeakPolarHBondContact OD2-CB 3.26Å; D64-S100 PolarHBondContact OD2-OG 3.28Å; K71-S100 PolarHBondContact O-N 2.86Å; K71-S100 PolarHBondContact O-OG 2.97Å; S100-R139 CarbonylContact O-C 3.36Å; S100-R139 WeakPolarHBondContact O-CA 3.1Å; S100-K140 PolarHBondContact O-N 2.94Å |
| 101 | I | 89.9 | Confident | 82.1 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.9 | -179.7 | -54.4 | -166.8 | 0 | 0 | 0 | 110.7 | M72 I73 H103 K140 I142 I660 | M72-I101 CarbonylContact C-O 3.54Å; M72-I101 VanDerWaalsContact CA-O 3.26Å; M72-I101 WeakPolarHBondContact CA-O 3.36Å; M72-I101 HydrophobicContact CB-CB 4.3Å; M72-I101 HydrophobicContact CE-CB 4.4Å; M72-I101 HydrophobicContact CE-CD1 3.56Å; M72-I101 HydrophobicContact CE-CG1 3.93Å; M72-I101 HydrophobicContact CG-CB 3.97Å; M72-I101 HydrophobicContact CG-CG1 4.39Å; M72-I101 HydrophobicContact SD-CB 4.26Å; M72-I101 HydrophobicContact SD-CD1 4.25Å; M72-I101 HydrophobicContact SD-CG1 4.43Å; I73-I101 PolarHBondContact N-O 2.96Å; I101-H103 HydrophobicContact CG2-CB 4.44Å; I101-K140 WeakPolarHBondContact CA-O 3.19Å; I101-K140 HydrophobicContact CD1-CD 4.13Å; I101-K140 HydrophobicContact CD1-CG 4.5Å; I101-K140 HydrophobicContact CG1-CB 4.12Å; I101-K140 HydrophobicContact CG1-CD 4.39Å; I101-K140 HydrophobicContact CG1-CG 4.22Å; I101-K140 HydrophobicContact CG2-CB 4.45Å; I101-I142 HydrophobicContact CG2-CD1 4.2Å; I101-I660 HydrophobicContact CD1-CG2 4.05Å |
| 102 | I | 91.1 | Very high | 82.8 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.5 | 162.8 | -56 | 158.8 | 0 | 0 | 0 | 106.8 | I73 I90 I99 I104 F118 I121 K140 L141 I142 L159 | I73-I102 CarbonylContact O-C 3.57Å; I73-I102 WeakPolarHBondContact O-CA 3.19Å; I90-I102 HydrophobicContact CD1-CG2 4.46Å; I99-I102 HydrophobicContact CG2-CD1 4.37Å; I99-I102 HydrophobicContact CG2-CG1 3.78Å; I102-I104 HydrophobicContact CG2-CD1 4.41Å; I102-I104 HydrophobicContact CG2-CG1 4.16Å; I102-F118 HydrophobicContact CD1-CD1 4.23Å; I102-F118 HydrophobicContact CD1-CE1 4.47Å; I102-F118 HydrophobicContact CG2-CE1 4.33Å; I102-I121 HydrophobicContact CD1-CD1 3.89Å; I102-I121 HydrophobicContact CD1-CG2 4.08Å; I102-K140 PolarHBondContact N-O 3.49Å; I102-L141 HydrophobicContact CB-CD1 3.81Å; I102-L141 HydrophobicContact CG2-CD1 3.81Å; I102-L141 WeakPolarHBondContact O-CA 3.31Å; I102-I142 PolarHBondContact O-N 3.45Å; I102-L159 HydrophobicContact CD1-CD2 4.41Å |
| 103 | H | 92.5 | Very high | 83.7 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.7 | 175.4 | -169.8 | -177.3 | 0 | 0 | 0 | 109.7 | I73 I74 C75 I101 I142 D661 | I73-H103 PolarHBondContact O-N 3.15Å; I74-H103 WeakPolarHBondContact CA-O 3.42Å; I74-H103 HydrophobicContact CG1-CB 4.45Å; C75-H103 PolarHBondContact N-O 2.76Å; I101-H103 HydrophobicContact CG2-CB 4.44Å; H103-I142 WeakPolarHBondContact CA-O 3.44Å; H103-I142 HydrophobicContact CB-CB 4.32Å; H103-I142 VanDerWaalsContact CD2-CG2 3.45Å; H103-I142 WeakPolarHBondContact CD2-CG2 3.5Å; H103-D661 VanDerWaalsContact CE1-CG 3.5Å; H103-D661 IonicContact CE1-OD1 2.64Å; H103-D661 PolarHBondContact CE1-OD1 3.17Å; H103-D661 VanDerWaalsContact CE1-OD1 3.3Å; H103-D661 IonicContact CE1-OD2 2.72Å; H103-D661 PolarHBondContact CE1-OD2 2.99Å; H103-D661 IonicContact ND1-OD1 2.63Å; H103-D661 PolarHBondContact ND1-OD1 3.14Å; H103-D661 IonicContact ND1-OD2 2.9Å; H103-D661 PolarHBondContact ND1-OD2 3.21Å |
| 104 | I | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 119.2 | 175.6 | -46.5 | -177.7 | 0 | 0 | 0 | 108.2 | C75 T80 L87 I90 I102 F118 I142 L143 K144 L146 | C75-I104 HydrophobicContact CB-CB 4.34Å; C75-I104 HydrophobicContact CB-CG1 4.26Å; C75-I104 HydrophobicContact CB-CG2 4.04Å; T80-I104 HydrophobicContact CG2-CG2 3.63Å; L87-I104 HydrophobicContact CD2-CD1 3.87Å; L87-I104 HydrophobicContact CD2-CG2 4.16Å; I90-I104 HydrophobicContact CD1-CD1 3.6Å; I102-I104 HydrophobicContact CG2-CD1 4.41Å; I102-I104 HydrophobicContact CG2-CG1 4.16Å; I104-F118 HydrophobicContact CD1-CE1 4.38Å; I104-F118 HydrophobicContact CD1-CZ 4.4Å; I104-I142 PolarHBondContact N-O 2.91Å; I104-L143 HydrophobicContact CB-CD2 3.8Å; I104-L143 HydrophobicContact CD1-CD2 3.71Å; I104-L143 HydrophobicContact CG1-CD2 3.88Å; I104-K144 PolarHBondContact O-N 3.31Å; I104-L146 HydrophobicContact CG2-CD1 4.37Å |
| 105 | E | 90.1 | Very high | 85.9 | Confident | 42 Ų | 42 | 37.4 Ų | 37.4 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 157.3 | -172.2 | 65 | 169.2 | 169.8 | 0 | 0 | 115.8 | C75 T80 N107 K144 | C75-E105 PolarHBondContact O-N 3.33Å; T80-E105 PolarHBondContact OG1-O 3.16Å; E105-N107 PolarHBondContact O-N 2.87Å; E105-N107 VanDerWaalsContact O-N 3.1Å; E105-K144 CarbonylContact C-O 3.49Å; E105-K144 VanDerWaalsContact CA-O 3.27Å; E105-K144 WeakPolarHBondContact CA-O 3.36Å; E105-K144 HydrophobicContact CB-CB 4.48Å |
| 106 | N | 83.4 | Confident | 86.9 | Confident | 62 Ų | 62 | 33 Ų | 33 | 33% | 0.332 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 64 | 11.1 | 155 | -58.4 | -34 | 0 | 0 | 0 | 119.3 | E77 P108 K144 | E77-N106 HydrophobicContact CB-CB 4Å; E77-N106 HydrophobicContact CG-CB 4.29Å; N106-P108 WeakPolarHBondContact O-CD 3.42Å; N106-K144 PolarHBondContact N-O 3.14Å |
| 107 | N | 86.8 | Confident | 87.8 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | trans | -100.9 | 97.1 | 164.8 | -175.5 | 4.2 | 0 | 0 | 0 | 112.8 | T80 E105 N109 I110 L146 | T80-N107 PolarHBondContact O-ND2 2.93Å; T80-N107 WeakPolarHBondContact OG1-CB 3.19Å; E105-N107 PolarHBondContact O-N 2.87Å; E105-N107 VanDerWaalsContact O-N 3.1Å; N107-N109 PolarHBondContact O-N 2.94Å; N107-N109 VanDerWaalsContact O-N 3.13Å; N107-N109 WeakPolarHBondContact OD1-CB 3.29Å; N107-N109 PolarHBondContact OD1-N 2.98Å; N107-N109 PolarHBondContact OD1-ND2 3.13Å; N107-I110 HydrophobicContact CB-CD1 3.91Å; N107-I110 HydrophobicContact CB-CG1 4.05Å; N107-I110 PolarHBondContact O-N 2.86Å; N107-L146 WeakPolarHBondContact O-CD2 3.37Å | ||
| 108 | P | 87.2 | Confident | 88.5 | Confident | 45 Ų | 45 | 24.2 Ų | 24.2 | 29% | 0.292 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.5 | 178.5 | 31.4 | -37.6 | 0 | 0 | 0 | 114 | N106 I110 S147 Y170 | N106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-I110 VanDerWaalsContact C-N 3.34Å; P108-S147 WeakPolarHBondContact O-CB 3.3Å; P108-S147 PolarHBondContact O-OG 3.29Å; P108-Y170 HydrophobicContact CB-CD1 4.08Å; P108-Y170 HydrophobicContact CB-CG 4.03Å |
| 109 | N | 89.9 | Confident | 88.7 | Confident | 103 Ų | 103 | 24 Ų | 24 | 55% | 0.551 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -17.3 | 172 | -52.9 | -71.8 | 0 | 0 | 0 | 112.4 | N85 N107 E111 | N85-N109 VanDerWaalsContact CA-O 3.24Å; N85-N109 WeakPolarHBondContact CA-O 3.43Å; N85-N109 WeakPolarHBondContact CB-O 3.48Å; N107-N109 PolarHBondContact O-N 2.94Å; N107-N109 VanDerWaalsContact O-N 3.13Å; N107-N109 WeakPolarHBondContact OD1-CB 3.29Å; N107-N109 PolarHBondContact OD1-N 2.98Å; N107-N109 PolarHBondContact OD1-ND2 3.13Å; N109-E111 PolarHBondContact O-N 3.03Å |
| 110 | I | 90.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -72.6 | 110.2 | 177.9 | -62.6 | 178.3 | 0 | 0 | 0 | 108.9 | F83 L87 N107 P108 L146 S147 L148 | F83-I110 HydrophobicContact CB-CD1 4.15Å; F83-I110 HydrophobicContact CD2-CD1 3.82Å; F83-I110 HydrophobicContact CG-CD1 4.45Å; L87-I110 HydrophobicContact CD2-CD1 4.29Å; L87-I110 HydrophobicContact CD2-CG2 3.86Å; L87-I110 HydrophobicContact CG-CG2 3.85Å; N107-I110 HydrophobicContact CB-CD1 3.91Å; N107-I110 HydrophobicContact CB-CG1 4.05Å; N107-I110 PolarHBondContact O-N 2.86Å; P108-I110 VanDerWaalsContact C-N 3.34Å; I110-L146 HydrophobicContact CB-CD2 4.42Å; I110-L146 HydrophobicContact CD1-CD2 4.28Å; I110-L146 HydrophobicContact CG2-CD1 4.38Å; I110-S147 CarbonylContact O-C 3.33Å; I110-S147 VanDerWaalsContact O-C 3.25Å; I110-S147 WeakPolarHBondContact O-CA 3.09Å; I110-S147 PolarHBondContact O-N 2.89Å; I110-L148 HydrophobicContact CG2-CD2 3.9Å; I110-L148 PolarHBondContact O-N 3.24Å | ||
| 111 | E | 90.8 | Very high | 87.6 | Confident | 60 Ų | 60 | 26.4 Ų | 26.4 | 28% | 0.28 | 15% | 0.146 | S | C | . | . | trans | -115.1 | -22.5 | -172 | -75.6 | -174.8 | -154.6 | 0 | 0 | 113.3 | N85 N109 S147 H149 I150 K176 | N85-E111 PolarHBondContact O-N 3.47Å; N109-E111 PolarHBondContact O-N 3.03Å; E111-S147 WeakPolarHBondContact CA-O 2.98Å; E111-H149 PolarHBondContact O-N 2.87Å; E111-H149 IonicContact OE2-CE1 3.17Å; E111-H149 PolarHBondContact OE2-CE1 3.17Å; E111-H149 VanDerWaalsContact OE2-CE1 3.28Å; E111-I150 PolarHBondContact O-N 3.07Å; E111-K176 IonicContact OE1-NZ 3.13Å; E111-K176 PolarHBondContact OE1-NZ 3.34Å; E111-K176 IonicContact OE2-NZ 2.92Å; E111-K176 PolarHBondContact OE2-NZ 2.92Å | ||
| 112 | I | 91.2 | Very high | 86.4 | Confident | 21 Ų | 21 | 26.8 Ų | 26.8 | 11% | 0.108 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.3 | -169.6 | -56.6 | 167.6 | 0 | 0 | 0 | 110.8 | N85 R86 L87 T114 I150 Q152 | N85-I112 PolarHBondContact O-N 3.07Å; R86-I112 CarbonylContact C-O 3.53Å; R86-I112 WeakPolarHBondContact CA-O 3.3Å; R86-I112 HydrophobicContact CG-CB 3.91Å; R86-I112 HydrophobicContact CG-CD1 4.07Å; R86-I112 HydrophobicContact CG-CG2 4.23Å; L87-I112 PolarHBondContact N-O 2.83Å; I112-T114 HydrophobicContact CG2-CG2 4.02Å; I112-I150 CarbonylContact C-O 3.29Å; I112-I150 WeakPolarHBondContact CA-O 3.46Å; I112-I150 HydrophobicContact CB-CB 4.49Å; I112-I150 HydrophobicContact CG1-CB 4.04Å; I112-I150 HydrophobicContact CG1-CD1 4.06Å; I112-I150 HydrophobicContact CG1-CG2 4.24Å; I112-I150 HydrophobicContact CG2-CG2 4.18Å; I112-Q152 HydrophobicContact CG2-CG 4.14Å |
| 113 | C | 92.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 116.2 | 161.7 | -160.1 | 0 | 0 | 0 | 0 | 107.4 | L148 I150 F151 Q152 C155 | C113-L148 HydrophobicContact CB-CD2 4.39Å; C113-I150 PolarHBondContact N-O 3.23Å; C113-F151 HydrophobicContact CB-CD1 3.55Å; C113-F151 HydrophobicContact CB-CE1 3.91Å; C113-F151 HydrophobicContact CB-CG 4.19Å; C113-Q152 WeakPolarHBondContact O-CB 3.48Å; C113-Q152 WeakPolarHBondContact O-CG 3.24Å; C113-Q152 PolarHBondContact O-N 3.07Å; C113-C155 WeakPolarHBondContact CA-SG 3.44Å; C113-C155 HydrophobicContact CB-CB 3.91Å; C113-C155 WeakPolarHBondContact CB-SG 3.49Å; C113-C155 WeakPolarHBondContact SG-CB 3.3Å; C113-C155 CovalentContact SG-SG 2.03Å; C113-C155 PolarHBondContact SG-SG 2.71Å |
| 114 | T | 90.4 | Very high | 83 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -92.1 | 150.2 | -172.2 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | R86 L87 I112 G116 T117 C155 | R86-T114 HydrophobicContact CB-CG2 3.64Å; R86-T114 HydrophobicContact CG-CG2 3.65Å; L87-T114 WeakPolarHBondContact O-CG2 3.21Å; L87-T114 PolarHBondContact O-OG1 2.7Å; I112-T114 HydrophobicContact CG2-CG2 4.02Å; T114-G116 PolarHBondContact O-N 2.87Å; T114-T117 PolarHBondContact N-OG1 2.67Å; T114-T117 VanDerWaalsContact N-OG1 3.09Å; T114-T117 WeakPolarHBondContact O-CB 3.35Å; T114-T117 PolarHBondContact O-N 3.25Å; T114-T117 PolarHBondContact O-OG1 2.87Å; T114-T117 PolarHBondContact OG1-OG1 2.85Å; T114-C155 PolarHBondContact N-SG 3.28Å; T114-C155 VanDerWaalsContact O-CA 3.28Å; T114-C155 WeakPolarHBondContact O-CA 3.4Å; T114-C155 WeakPolarHBondContact O-CB 3.45Å; T114-C155 PolarHBondContact O-SG 3.16Å |
| 115 | S | 88.8 | Confident | 81.2 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 51% | 0.51 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 127.7 | 176.7 | -164.5 | 0 | 0 | 0 | 0 | 110.3 | H153 | S115-H153 VanDerWaalsContact CB-O 3.27Å; S115-H153 WeakPolarHBondContact CB-O 3.38Å; S115-H153 PolarHBondContact OG-O 2.92Å |
| 116 | G | 84.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 4.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T114 F118 E119 G154 | T114-G116 PolarHBondContact O-N 2.87Å; G116-F118 PolarHBondContact O-N 3.04Å; G116-E119 WeakPolarHBondContact O-CB 3.4Å; G116-E119 PolarHBondContact O-N 3.26Å; G116-G154 PolarHBondContact N-O 2.69Å |
| 117 | T | 88.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | -46.7 | -179 | -67.6 | 0 | 0 | 0 | 0 | 112.9 | L87 I90 T114 C155 | L87-T117 HydrophobicContact CB-CG2 3.69Å; L87-T117 HydrophobicContact CD1-CG2 4.14Å; I90-T117 PolarHBondContact N-O 2.94Å; T114-T117 PolarHBondContact N-OG1 2.67Å; T114-T117 VanDerWaalsContact N-OG1 3.09Å; T114-T117 WeakPolarHBondContact O-CB 3.35Å; T114-T117 PolarHBondContact O-N 3.25Å; T114-T117 PolarHBondContact O-OG1 2.87Å; T114-T117 PolarHBondContact OG1-OG1 2.85Å; T117-C155 VanDerWaalsContact CB-SG 3.55Å; T117-C155 PolarHBondContact OG1-SG 3.31Å |
| 118 | F | 89 | Confident | 75.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 9.7 | -178.4 | -56.1 | -79.5 | 0 | 0 | 0 | 113.7 | L87 I90 I102 I104 G116 N120 I121 L141 C155 L156 K157 L159 | L87-F118 HydrophobicContact CD1-CZ 4.41Å; I90-F118 HydrophobicContact CD1-CD1 4.33Å; I90-F118 HydrophobicContact CD1-CE1 3.88Å; I102-F118 HydrophobicContact CD1-CD1 4.23Å; I102-F118 HydrophobicContact CD1-CE1 4.47Å; I102-F118 HydrophobicContact CG2-CE1 4.33Å; I104-F118 HydrophobicContact CD1-CE1 4.38Å; I104-F118 HydrophobicContact CD1-CZ 4.4Å; G116-F118 PolarHBondContact O-N 3.04Å; F118-N120 VanDerWaalsContact C-N 3.3Å; F118-N120 PolarHBondContact O-N 2.89Å; F118-I121 HydrophobicContact CB-CD1 4.46Å; F118-I121 HydrophobicContact CD1-CD1 3.93Å; F118-I121 PolarHBondContact O-N 2.89Å; F118-I121 VanDerWaalsContact O-N 3.1Å; F118-L141 HydrophobicContact CD2-CD2 4.43Å; F118-L141 HydrophobicContact CE1-CD1 3.72Å; F118-L141 HydrophobicContact CE1-CD2 4.04Å; F118-L141 HydrophobicContact CE2-CD2 3.84Å; F118-L141 HydrophobicContact CZ-CD1 3.79Å; F118-L141 HydrophobicContact CZ-CD2 3.62Å; F118-L141 HydrophobicContact CZ-CG 4.38Å; F118-C155 WeakPolarHBondContact CD2-O 3.46Å; F118-C155 PolarHBondContact N-O 3.08Å; F118-L156 HydrophobicContact CD2-CD2 3.94Å; F118-L156 HydrophobicContact CE2-CD2 3.84Å; F118-K157 CarbonylContact C-O 3.38Å; F118-L159 HydrophobicContact CB-CD1 3.77Å; F118-L159 HydrophobicContact CB-CD2 3.98Å; F118-L159 HydrophobicContact CB-CG 3.68Å; F118-L159 HydrophobicContact CD1-CD1 4.17Å; F118-L159 HydrophobicContact CD2-CD1 3.7Å; F118-L159 HydrophobicContact CE2-CD1 4.33Å; F118-L159 HydrophobicContact CG-CD1 3.62Å; F118-L159 HydrophobicContact CG-CD2 4.38Å; F118-L159 HydrophobicContact CG-CG 4.1Å |
| 119 | E | 84.5 | Confident | 74.2 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.5 | -167.8 | 168 | 168.8 | 177.5 | 0 | 0 | 113.5 | G116 I121 K123 K157 | G116-E119 WeakPolarHBondContact O-CB 3.4Å; G116-E119 PolarHBondContact O-N 3.26Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-K123 VanDerWaalsContact CG-NZ 3.32Å; E119-K123 WeakPolarHBondContact O-CD 3.12Å; E119-K123 WeakPolarHBondContact O-CE 3.45Å; E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 IonicContact OE1-NZ 2.67Å; E119-K123 PolarHBondContact OE1-NZ 2.96Å; E119-K123 VanDerWaalsContact OE1-NZ 3.09Å; E119-K157 VanDerWaalsContact CA-O 3.29Å; E119-K157 WeakPolarHBondContact CA-O 3.49Å; E119-K157 HydrophobicContact CB-CG 4.45Å; E119-K157 HydrophobicContact CG-CD 4.33Å; E119-K157 HydrophobicContact CG-CG 4.4Å; E119-K157 PolarHBondContact N-O 3.45Å; E119-K157 WeakPolarHBondContact OE1-CE 3.14Å; E119-K157 IonicContact OE1-NZ 2.79Å; E119-K157 PolarHBondContact OE1-NZ 2.03Å; E119-K157 VanDerWaalsContact OE2-CD 3.32Å; E119-K157 WeakPolarHBondContact OE2-CD 3.19Å; E119-K157 VanDerWaalsContact OE2-CE 3.24Å; E119-K157 WeakPolarHBondContact OE2-CE 3.3Å; E119-K157 IonicContact OE2-NZ 2.71Å; E119-K157 PolarHBondContact OE2-NZ 3.46Å |
| 120 | N | 75.1 | Confident | 72.2 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.2 | 179.4 | -69 | -19.5 | 0 | 0 | 0 | 113.6 | M89 F118 K123 | M89-N120 PolarHBondContact SD-ND2 2.73Å; F118-N120 VanDerWaalsContact C-N 3.3Å; F118-N120 PolarHBondContact O-N 2.89Å; N120-K123 PolarHBondContact OD1-NZ 3.31Å |
| 121 | I | 71.2 | Confident | 70 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -88 | 138.1 | 172 | -64.7 | 160.2 | 0 | 0 | 0 | 108.5 | I90 I99 I102 F118 E119 K123 | I90-I121 HydrophobicContact CB-CD1 3.7Å; I90-I121 HydrophobicContact CG2-CD1 3.72Å; I99-I121 HydrophobicContact CD1-CG1 4.31Å; I99-I121 HydrophobicContact CD1-CG2 3.68Å; I102-I121 HydrophobicContact CD1-CD1 3.89Å; I102-I121 HydrophobicContact CD1-CG2 4.08Å; F118-I121 HydrophobicContact CB-CD1 4.46Å; F118-I121 HydrophobicContact CD1-CD1 3.93Å; F118-I121 PolarHBondContact O-N 2.89Å; F118-I121 VanDerWaalsContact O-N 3.1Å; E119-I121 VanDerWaalsContact C-N 3.35Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.44Å |
| 122 | M | 63.8 | Low | 67.9 | Low | 20 Ų | 20 | 60.7 Ų | 60.7 | 10% | 0.099 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 70 | 2.4 | 178.9 | -46.9 | -178.2 | -175.5 | 0 | 0 | 117.3 | N124 R139 L159 | M122-N124 VanDerWaalsContact C-N 3.25Å; M122-N124 PolarHBondContact O-N 3.12Å; M122-R139 HydrophobicContact CE-CB 4.28Å; M122-R139 HydrophobicContact CE-CG 4.26Å; M122-R139 PolarHBondContact SD-NH1 2.89Å; M122-L159 HydrophobicContact CE-CD2 3.91Å; M122-L159 HydrophobicContact SD-CD2 4.27Å |
| 123 | K | 59.7 | Low | 65.7 | Low | 114 Ų | 114 | 67.9 Ų | 67.9 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.7 | 179.4 | -92.9 | -180 | 177.3 | 166 | 0 | 115.2 | E119 N120 I121 | E119-K123 VanDerWaalsContact CG-NZ 3.32Å; E119-K123 WeakPolarHBondContact O-CD 3.12Å; E119-K123 WeakPolarHBondContact O-CE 3.45Å; E119-K123 WeakPolarHBondContact O-CG 3.31Å; E119-K123 IonicContact OE1-NZ 2.67Å; E119-K123 PolarHBondContact OE1-NZ 2.96Å; E119-K123 VanDerWaalsContact OE1-NZ 3.09Å; N120-K123 PolarHBondContact OD1-NZ 3.31Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.44Å |
| 124 | N | 53.2 | Low | 63.7 | Low | 102 Ų | 102 | 74 Ų | 74 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 8.9 | -170.9 | -78.4 | -41.1 | 0 | 0 | 0 | 115.8 | N95 M122 N126 | N95-N124 PolarHBondContact OD1-ND2 3.25Å; M122-N124 VanDerWaalsContact C-N 3.25Å; M122-N124 PolarHBondContact O-N 3.12Å; N124-N126 VanDerWaalsContact C-N 3.26Å; N124-N126 PolarHBondContact O-N 2.98Å |
| 125 | N | 54 | Low | 62 | Low | 50 Ų | 50 | 75.7 Ų | 75.7 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | trans | -74.5 | 81.6 | 165.8 | -79.7 | 114.9 | 0 | 0 | 0 | 110.5 | L98 P127 R139 | L98-N125 VanDerWaalsContact CD2-ND2 3.27Å; L98-N125 WeakPolarHBondContact CD2-ND2 3.34Å; N125-P127 WeakPolarHBondContact O-CD 3.33Å; N125-R139 PolarHBondContact OD1-NH1 3.32Å; N125-R139 PolarHBondContact OD1-NH2 3.1Å | ||
| 126 | N | 49.3 | Very low | 60.8 | Low | 99 Ų | 99 | 79.4 Ų | 79.4 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | trans | -55.8 | 118.7 | 166.2 | -172.7 | -0.2 | 0 | 0 | 0 | 108.2 | N124 N128 D129 | N124-N126 VanDerWaalsContact C-N 3.26Å; N124-N126 PolarHBondContact O-N 2.98Å; N126-N128 PolarHBondContact O-N 3.31Å; N126-D129 WeakPolarHBondContact O-CB 3.49Å; N126-D129 PolarHBondContact O-N 2.86Å | ||
| 127 | P | 51 | Low | 60.2 | Low | 97 Ų | 97 | 79.9 Ų | 79.9 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -62.5 | -18 | -168.1 | 22.5 | -34.3 | 0 | 0 | 0 | 114.1 | N125 D129 | N125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-D129 VanDerWaalsContact C-N 3.3Å; P127-D129 PolarHBondContact O-N 3.35Å |
| 128 | N | 49.3 | Very low | 59.7 | Low | 123 Ų | 123 | 81.9 Ų | 81.9 | 66% | 0.658 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -75 | -16.6 | 177.4 | -59.3 | -14.4 | 0 | 0 | 0 | 113.4 | N126 M130 T131 | N126-N128 PolarHBondContact O-N 3.31Å; N128-M130 PolarHBondContact O-N 3.37Å; N128-T131 PolarHBondContact O-OG1 3.18Å |
| 129 | D | 50.4 | Low | 59.6 | Low | 107 Ų | 107 | 82.9 Ų | 82.9 | 57% | 0.572 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -81 | -3.4 | -176.8 | -150.4 | 17.8 | 0 | 0 | 0 | 113.1 | N126 P127 T131 | N126-D129 WeakPolarHBondContact O-CB 3.49Å; N126-D129 PolarHBondContact O-N 2.86Å; P127-D129 VanDerWaalsContact C-N 3.3Å; P127-D129 PolarHBondContact O-N 3.35Å; D129-T131 PolarHBondContact O-N 3.42Å |
| 130 | M | 47.8 | Very low | 60 | Low | 146 Ų | 146 | 81.3 Ų | 81.3 | 72% | 0.719 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 15.9 | 172.5 | -66.1 | -165.2 | 175 | 0 | 0 | 114.2 | N128 | N128-M130 PolarHBondContact O-N 3.37Š|
| 131 | T | 45.1 | Very low | 61 | Low | 119 Ų | 119 | 78.7 Ų | 78.7 | 73% | 0.73 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -9.4 | -180 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | N128 D129 | N128-T131 PolarHBondContact O-OG1 3.18Å; D129-T131 PolarHBondContact O-N 3.42Å |
| 132 | T | 46.2 | Very low | 62 | Low | 76 Ų | 76 | 79.3 Ų | 79.3 | 47% | 0.466 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -83.2 | 140.6 | 167.3 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | H134 | T132-H134 PolarHBondContact O-N 3.02Š|
| 133 | N | 45.8 | Very low | 63.5 | Low | 173 Ų | 173 | 78.4 Ų | 78.4 | 93% | 0.925 | 43% | 0.427 | S | S | * | . | trans | -74 | 29.7 | -170.4 | -74.9 | -50.9 | 0 | 0 | 0 | 115.1 | G135 | N133-G135 PolarHBondContact O-N 3.44Š| ||
| 134 | H | 49 | Very low | 65.1 | Low | 129 Ų | 129 | 75.2 Ų | 75.2 | 60% | 0.597 | 41% | 0.413 | S | S | * | . | trans | -79.1 | 119.2 | 176.2 | -63.4 | -58.8 | 0 | 0 | 0 | 110 | T132 | T132-H134 PolarHBondContact O-N 3.02Š| ||
| 135 | G | 54.9 | Low | 66.8 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | trans | -58.5 | 153.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N133 I137 | N133-G135 PolarHBondContact O-N 3.44Å; G135-I137 PolarHBondContact O-N 3.36Å | ||
| 136 | I | 64.9 | Low | 68.5 | Low | 150 Ų | 150 | 68.4 Ų | 68.4 | 77% | 0.769 | 38% | 0.379 | S | S | * | . | trans | -59.4 | 104.9 | -176.7 | -55.2 | 172.2 | 0 | 0 | 0 | 109.9 | Y67 E138 | Y67-I136 PolarHBondContact OH-O 2.93Å; I136-E138 PolarHBondContact O-N 2.91Å | ||
| 137 | I | 71.6 | Confident | 70.6 | Confident | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 121.4 | 174.9 | -68.3 | 153.3 | 0 | 0 | 0 | 108.7 | Y67 A70 L98 G135 R139 | Y67-I137 HydrophobicContact CD1-CB 4.49Å; Y67-I137 HydrophobicContact CD1-CG1 3.62Å; Y67-I137 HydrophobicContact CD2-CG1 4.33Å; Y67-I137 HydrophobicContact CD2-CG2 4.13Å; Y67-I137 HydrophobicContact CE1-CB 4.48Å; Y67-I137 HydrophobicContact CE1-CG1 3.97Å; Y67-I137 HydrophobicContact CE2-CG2 4.31Å; Y67-I137 HydrophobicContact CG-CG1 3.81Å; Y67-I137 HydrophobicContact CG-CG2 4.39Å; A70-I137 HydrophobicContact CB-CD1 4.18Å; L98-I137 HydrophobicContact CB-CD1 4.1Å; L98-I137 HydrophobicContact CD1-CD1 3.5Å; L98-I137 HydrophobicContact CG-CD1 4.44Å; G135-I137 PolarHBondContact O-N 3.36Å; I137-R139 PolarHBondContact O-N 3.31Å |
| 138 | E | 78.9 | Confident | 72.4 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 117 | 177.5 | -167.5 | -173.6 | -175.8 | 0 | 0 | 110.8 | I136 K140 D163 V164 | I136-E138 PolarHBondContact O-N 2.91Å; E138-K140 VanDerWaalsContact CD-NZ 3.27Å; E138-K140 IonicContact OE1-NZ 3.59Å; E138-K140 WeakPolarHBondContact OE2-CE 3.45Å; E138-K140 IonicContact OE2-NZ 2.8Å; E138-K140 PolarHBondContact OE2-NZ 3.23Å; E138-D163 VanDerWaalsContact CA-OD2 3.31Å; E138-D163 WeakPolarHBondContact CA-OD2 3Å; E138-D163 HydrophobicContact CG-CB 3.82Å; E138-V164 HydrophobicContact CG-CG2 4.38Å; E138-V164 WeakPolarHBondContact OE1-CG2 3.2Å |
| 139 | R | 87.1 | Confident | 74.3 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 122.5 | -172.6 | -70.1 | 177.1 | 176.8 | -156.5 | 0.4 | 112.4 | S100 M122 N125 I137 N161 L162 D163 V164 | S100-R139 CarbonylContact O-C 3.36Å; S100-R139 WeakPolarHBondContact O-CA 3.1Å; M122-R139 HydrophobicContact CE-CB 4.28Å; M122-R139 HydrophobicContact CE-CG 4.26Å; M122-R139 PolarHBondContact SD-NH1 2.89Å; N125-R139 PolarHBondContact OD1-NH1 3.32Å; N125-R139 PolarHBondContact OD1-NH2 3.1Å; I137-R139 PolarHBondContact O-N 3.31Å; R139-N161 WeakPolarHBondContact CD-O 3.43Å; R139-L162 HydrophobicContact CB-CD1 4.44Å; R139-L162 WeakPolarHBondContact O-CD1 3.46Å; R139-D163 PolarHBondContact N-OD2 3.02Å; R139-D163 WeakPolarHBondContact O-CB 3.49Å; R139-D163 PolarHBondContact O-N 3.33Å; R139-V164 PolarHBondContact O-N 2.92Å |
| 140 | K | 92.7 | Very high | 76.1 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 7% | 0.065 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.7 | -171.1 | -40.7 | -165.6 | 177.2 | -173.9 | 0 | 112.7 | S100 I101 I102 E138 V164 I660 | S100-K140 PolarHBondContact O-N 2.94Å; I101-K140 WeakPolarHBondContact CA-O 3.19Å; I101-K140 HydrophobicContact CD1-CD 4.13Å; I101-K140 HydrophobicContact CD1-CG 4.5Å; I101-K140 HydrophobicContact CG1-CB 4.12Å; I101-K140 HydrophobicContact CG1-CD 4.39Å; I101-K140 HydrophobicContact CG1-CG 4.22Å; I101-K140 HydrophobicContact CG2-CB 4.45Å; I102-K140 PolarHBondContact N-O 3.49Å; E138-K140 VanDerWaalsContact CD-NZ 3.27Å; E138-K140 IonicContact OE1-NZ 3.59Å; E138-K140 WeakPolarHBondContact OE2-CE 3.45Å; E138-K140 IonicContact OE2-NZ 2.8Å; E138-K140 PolarHBondContact OE2-NZ 3.23Å; K140-V164 WeakPolarHBondContact CA-O 2.99Å; K140-V164 HydrophobicContact CB-CB 4.08Å; K140-V164 HydrophobicContact CB-CG1 4.34Å; K140-V164 HydrophobicContact CD-CB 4.35Å; K140-V164 HydrophobicContact CD-CG1 4.44Å; K140-V164 HydrophobicContact CD-CG2 4.39Å; K140-V164 HydrophobicContact CG-CB 3.94Å; K140-V164 HydrophobicContact CG-CG1 4.41Å; K140-V164 HydrophobicContact CG-CG2 4.24Å; K140-I660 HydrophobicContact CD-CD1 3.66Å |
| 141 | L | 94.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.8 | 169.8 | 175.1 | 58.9 | 0 | 0 | 0 | 108.7 | I102 F118 L143 L156 L159 L162 V164 L165 Y166 | I102-L141 HydrophobicContact CB-CD1 3.81Å; I102-L141 HydrophobicContact CG2-CD1 3.81Å; I102-L141 WeakPolarHBondContact O-CA 3.31Å; F118-L141 HydrophobicContact CD2-CD2 4.43Å; F118-L141 HydrophobicContact CE1-CD1 3.72Å; F118-L141 HydrophobicContact CE1-CD2 4.04Å; F118-L141 HydrophobicContact CE2-CD2 3.84Å; F118-L141 HydrophobicContact CZ-CD1 3.79Å; F118-L141 HydrophobicContact CZ-CD2 3.62Å; F118-L141 HydrophobicContact CZ-CG 4.38Å; L141-L143 HydrophobicContact CD1-CD2 3.89Å; L141-L143 HydrophobicContact CD1-CG 4.15Å; L141-L143 HydrophobicContact CD2-CD1 4.32Å; L141-L143 HydrophobicContact CG-CD1 4.39Å; L141-L143 HydrophobicContact CG-CD2 4.41Å; L141-L143 HydrophobicContact CG-CG 4.13Å; L141-L156 HydrophobicContact CD2-CD2 4.48Å; L141-L159 HydrophobicContact CD2-CD1 3.59Å; L141-L162 HydrophobicContact CB-CD1 3.9Å; L141-L162 HydrophobicContact CB-CD2 4.03Å; L141-V164 PolarHBondContact N-O 3.33Å; L141-L165 HydrophobicContact CB-CD1 4Å; L141-L165 HydrophobicContact CD2-CD1 3.81Å; L141-L165 HydrophobicContact CG-CD1 3.88Å; L141-Y166 PolarHBondContact O-N 3.3Å |
| 142 | I | 94.2 | Very high | 80.3 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.8 | -178 | -53 | 177.2 | 0 | 0 | 0 | 108.6 | I101 I102 H103 I104 K144 Y166 I660 | I101-I142 HydrophobicContact CG2-CD1 4.2Å; I102-I142 PolarHBondContact O-N 3.45Å; H103-I142 WeakPolarHBondContact CA-O 3.44Å; H103-I142 HydrophobicContact CB-CB 4.32Å; H103-I142 VanDerWaalsContact CD2-CG2 3.45Å; H103-I142 WeakPolarHBondContact CD2-CG2 3.5Å; I104-I142 PolarHBondContact N-O 2.91Å; I142-K144 HydrophobicContact CG2-CB 4.48Å; I142-Y166 HydrophobicContact CG1-CD2 4Å; I142-I660 HydrophobicContact CD1-CB 4.44Å |
| 143 | L | 94.4 | Very high | 82.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 99.4 | 178.9 | -59.1 | 177.5 | 0 | 0 | 0 | 108.5 | I104 L141 L146 L148 Y166 I167 E168 | I104-L143 HydrophobicContact CB-CD2 3.8Å; I104-L143 HydrophobicContact CD1-CD2 3.71Å; I104-L143 HydrophobicContact CG1-CD2 3.88Å; L141-L143 HydrophobicContact CD1-CD2 3.89Å; L141-L143 HydrophobicContact CD1-CG 4.15Å; L141-L143 HydrophobicContact CD2-CD1 4.32Å; L141-L143 HydrophobicContact CG-CD1 4.39Å; L141-L143 HydrophobicContact CG-CD2 4.41Å; L141-L143 HydrophobicContact CG-CG 4.13Å; L143-L146 HydrophobicContact CB-CD1 4.15Å; L143-L146 HydrophobicContact CD2-CD1 4.31Å; L143-L148 HydrophobicContact CB-CD1 4.27Å; L143-L148 HydrophobicContact CD1-CD1 3.73Å; L143-L148 HydrophobicContact CG-CD1 4.49Å; L143-Y166 WeakPolarHBondContact CB-O 3.41Å; L143-Y166 PolarHBondContact N-O 2.76Å; L143-I167 HydrophobicContact CD1-CG1 4.38Å; L143-E168 PolarHBondContact O-N 3.08Å |
| 144 | K | 93.2 | Very high | 84.3 | Confident | 46 Ų | 46 | 38.8 Ų | 38.8 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.8 | -167.4 | -158.5 | 176 | -177.5 | 89.7 | 0 | 111.8 | I104 E105 N106 I142 L146 E168 D659 | I104-K144 PolarHBondContact O-N 3.31Å; E105-K144 CarbonylContact C-O 3.49Å; E105-K144 VanDerWaalsContact CA-O 3.27Å; E105-K144 WeakPolarHBondContact CA-O 3.36Å; E105-K144 HydrophobicContact CB-CB 4.48Å; N106-K144 PolarHBondContact N-O 3.14Å; I142-K144 HydrophobicContact CG2-CB 4.48Å; K144-L146 VanDerWaalsContact C-N 3.29Å; K144-L146 PolarHBondContact O-N 3.24Å; K144-E168 CarbonylContact C-O 3.46Å; K144-E168 VanDerWaalsContact CE-OE2 3.3Å; K144-E168 WeakPolarHBondContact CE-OE2 3.46Å; K144-E168 HydrophobicContact CG-CB 4.27Å; K144-E168 WeakPolarHBondContact CG-OE2 3.47Å; K144-E168 IonicContact NZ-OE2 2.7Å; K144-E168 PolarHBondContact NZ-OE2 2.96Å; K144-D659 IonicContact NZ-OD1 3.63Å; K144-D659 PolarHBondContact NZ-OD1 3.3Å |
| 145 | G | 88.2 | Confident | 86.3 | Confident | 10 Ų | 10 | 32.7 Ų | 32.7 | 10% | 0.103 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.9 | 17.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.8 | E168 | G145-E168 PolarHBondContact N-O 3.44Å |
| 146 | L | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -179.7 | 178.8 | -49.5 | -173.7 | 0 | 0 | 0 | 111.7 | L87 I104 N107 I110 L143 K144 L148 N169 Y170 | L87-L146 HydrophobicContact CD2-CD1 4.39Å; I104-L146 HydrophobicContact CG2-CD1 4.37Å; N107-L146 WeakPolarHBondContact O-CD2 3.37Å; I110-L146 HydrophobicContact CB-CD2 4.42Å; I110-L146 HydrophobicContact CD1-CD2 4.28Å; I110-L146 HydrophobicContact CG2-CD1 4.38Å; L143-L146 HydrophobicContact CB-CD1 4.15Å; L143-L146 HydrophobicContact CD2-CD1 4.31Å; K144-L146 VanDerWaalsContact C-N 3.29Å; K144-L146 PolarHBondContact O-N 3.24Å; L146-L148 HydrophobicContact CB-CD1 4.42Å; L146-L148 HydrophobicContact CB-CG 4.07Å; L146-L148 HydrophobicContact CD1-CD1 3.8Å; L146-L148 HydrophobicContact CD1-CG 4.15Å; L146-N169 CarbonylContact O-C 3.54Å; L146-N169 VanDerWaalsContact O-CA 3.28Å; L146-N169 WeakPolarHBondContact O-CA 3.35Å; L146-N169 PolarHBondContact O-OD1 2.86Å; L146-Y170 PolarHBondContact O-N 2.71Å |
| 147 | S | 91.6 | Very high | 89.1 | Confident | 15 Ų | 15 | 27.9 Ų | 27.9 | 11% | 0.105 | 14% | 0.136 | C | C | . | . | trans | -118.4 | 35.6 | 172.9 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | P108 I110 E111 H149 | P108-S147 WeakPolarHBondContact O-CB 3.3Å; P108-S147 PolarHBondContact O-OG 3.29Å; I110-S147 CarbonylContact O-C 3.33Å; I110-S147 VanDerWaalsContact O-C 3.25Å; I110-S147 WeakPolarHBondContact O-CA 3.09Å; I110-S147 PolarHBondContact O-N 2.89Å; E111-S147 WeakPolarHBondContact CA-O 2.98Å; S147-H149 PolarHBondContact O-N 3.15Å; S147-H149 VanDerWaalsContact O-N 3.14Å; S147-H149 PolarHBondContact O-ND1 3.23Å | ||
| 148 | L | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -65.2 | 112.6 | -172.4 | -73.3 | 175.9 | 0 | 0 | 0 | 111.6 | L87 I110 C113 L143 L146 F151 N169 | L87-L148 HydrophobicContact CD1-CD1 4.22Å; L87-L148 HydrophobicContact CD1-CD2 4.22Å; L87-L148 HydrophobicContact CG-CD2 4.38Å; I110-L148 HydrophobicContact CG2-CD2 3.9Å; I110-L148 PolarHBondContact O-N 3.24Å; C113-L148 HydrophobicContact CB-CD2 4.39Å; L143-L148 HydrophobicContact CB-CD1 4.27Å; L143-L148 HydrophobicContact CD1-CD1 3.73Å; L143-L148 HydrophobicContact CG-CD1 4.49Å; L146-L148 HydrophobicContact CB-CD1 4.42Å; L146-L148 HydrophobicContact CB-CG 4.07Å; L146-L148 HydrophobicContact CD1-CD1 3.8Å; L146-L148 HydrophobicContact CD1-CG 4.15Å; L148-F151 HydrophobicContact CB-CE2 4.46Å; L148-F151 HydrophobicContact CB-CZ 4.06Å; L148-N169 PolarHBondContact N-OD1 3.33Å; L148-N169 PolarHBondContact O-ND2 2.99Å | ||
| 149 | H | 88 | Confident | 90 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 13% | 0.125 | 13% | 0.134 | C | C | . | . | trans | -140.7 | -12.6 | 176.8 | 68.7 | -67.7 | 0 | 0 | 0 | 113 | E111 S147 K176 K177 S179 | E111-H149 PolarHBondContact O-N 2.87Å; E111-H149 IonicContact OE2-CE1 3.17Å; E111-H149 PolarHBondContact OE2-CE1 3.17Å; E111-H149 VanDerWaalsContact OE2-CE1 3.28Å; S147-H149 PolarHBondContact O-N 3.15Å; S147-H149 VanDerWaalsContact O-N 3.14Å; S147-H149 PolarHBondContact O-ND1 3.23Å; H149-K176 HydrophobicContact CB-CB 3.9Å; H149-K177 PolarHBondContact CD2-O 3.11Å; H149-S179 PolarHBondContact O-N 2.9Å; H149-S179 PolarHBondContact O-OG 3.14Å | ||
| 150 | I | 90 | Very high | 89.8 | Confident | 66 Ų | 66 | 27.8 Ų | 27.8 | 34% | 0.338 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.9 | 173.5 | -61.2 | 170.7 | 0 | 0 | 0 | 108.6 | E111 I112 C113 | E111-I150 PolarHBondContact O-N 3.07Å; I112-I150 CarbonylContact C-O 3.29Å; I112-I150 WeakPolarHBondContact CA-O 3.46Å; I112-I150 HydrophobicContact CB-CB 4.49Å; I112-I150 HydrophobicContact CG1-CB 4.04Å; I112-I150 HydrophobicContact CG1-CD1 4.06Å; I112-I150 HydrophobicContact CG1-CG2 4.24Å; I112-I150 HydrophobicContact CG2-CG2 4.18Å; C113-I150 PolarHBondContact N-O 3.23Å |
| 151 | F | 90.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.5 | 175 | -68.9 | -95.2 | 0 | 0 | 0 | 109.1 | C113 L148 I167 L178 S179 N181 L182 | C113-F151 HydrophobicContact CB-CD1 3.55Å; C113-F151 HydrophobicContact CB-CE1 3.91Å; C113-F151 HydrophobicContact CB-CG 4.19Å; L148-F151 HydrophobicContact CB-CE2 4.46Å; L148-F151 HydrophobicContact CB-CZ 4.06Å; F151-I167 HydrophobicContact CE1-CD1 4.15Å; F151-I167 HydrophobicContact CZ-CD1 3.93Å; F151-L178 HydrophobicContact CD2-CD1 3.75Å; F151-L178 HydrophobicContact CE2-CD1 3.62Å; F151-S179 PolarHBondContact N-OG 3.5Å; F151-N181 HydrophobicContact CB-CB 4.29Å; F151-N181 VanDerWaalsContact O-CB 3.23Å; F151-N181 WeakPolarHBondContact O-CB 3.46Å; F151-N181 PolarHBondContact O-ND2 2.69Å; F151-L182 HydrophobicContact CD1-CD1 3.95Å; F151-L182 HydrophobicContact CD2-CB 4.16Å; F151-L182 HydrophobicContact CD2-CD1 4.29Å; F151-L182 HydrophobicContact CE1-CD1 3.81Å; F151-L182 HydrophobicContact CE2-CD1 4.16Å; F151-L182 HydrophobicContact CG-CB 4.39Å; F151-L182 HydrophobicContact CG-CD1 4.2Å; F151-L182 HydrophobicContact CZ-CD1 3.93Å |
| 152 | Q | 90.3 | Very high | 89.2 | Confident | 65 Ų | 65 | 29.6 Ų | 29.6 | 30% | 0.304 | 16% | 0.159 | S | C | . | . | trans | -73.8 | 151.3 | 171.1 | -65.1 | -174.7 | -13 | 0 | 0 | 110.2 | I112 C113 C155 | I112-Q152 HydrophobicContact CG2-CG 4.14Å; C113-Q152 WeakPolarHBondContact O-CB 3.48Å; C113-Q152 WeakPolarHBondContact O-CG 3.24Å; C113-Q152 PolarHBondContact O-N 3.07Å; Q152-C155 WeakPolarHBondContact O-CB 3.47Å; Q152-C155 PolarHBondContact O-N 3.13Å | ||
| 153 | H | 88.7 | Confident | 89.1 | Confident | 133 Ų | 133 | 29.6 Ų | 29.6 | 62% | 0.616 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 135.1 | 178.3 | -173.6 | 32.3 | 0 | 0 | 0 | 110.8 | S115 E185 | S115-H153 VanDerWaalsContact CB-O 3.27Å; S115-H153 WeakPolarHBondContact CB-O 3.38Å; S115-H153 PolarHBondContact OG-O 2.92Å; H153-E185 VanDerWaalsContact CA-OE1 3.31Å; H153-E185 WeakPolarHBondContact CA-OE1 3.34Å; H153-E185 IonicContact CE1-OE1 2.86Å; H153-E185 IonicContact CG-OE1 3.04Å; H153-E185 IonicContact ND1-OE1 3.75Å; H153-E185 PolarHBondContact ND1-OE1 3.34Å |
| 154 | G | 87.2 | Confident | 89.1 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 18.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | G116 K157 E185 | G116-G154 PolarHBondContact N-O 2.69Å; G154-K157 WeakPolarHBondContact O-CB 3.41Å; G154-E185 VanDerWaalsContact C-OE2 3.31Å; G154-E185 WeakPolarHBondContact CA-OE2 3.31Å; G154-E185 PolarHBondContact N-OE1 3.28Å; G154-E185 PolarHBondContact N-OE2 3.43Å |
| 155 | C | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -64.5 | -46.7 | 172.9 | -171 | 0 | 0 | 0 | 0 | 111.5 | C113 T114 T117 F118 Q152 K157 E185 | C113-C155 WeakPolarHBondContact CA-SG 3.44Å; C113-C155 HydrophobicContact CB-CB 3.91Å; C113-C155 WeakPolarHBondContact CB-SG 3.49Å; C113-C155 WeakPolarHBondContact SG-CB 3.3Å; C113-C155 CovalentContact SG-SG 2.03Å; C113-C155 PolarHBondContact SG-SG 2.71Å; T114-C155 PolarHBondContact N-SG 3.28Å; T114-C155 VanDerWaalsContact O-CA 3.28Å; T114-C155 WeakPolarHBondContact O-CA 3.4Å; T114-C155 WeakPolarHBondContact O-CB 3.45Å; T114-C155 PolarHBondContact O-SG 3.16Å; T117-C155 VanDerWaalsContact CB-SG 3.55Å; T117-C155 PolarHBondContact OG1-SG 3.31Å; F118-C155 WeakPolarHBondContact CD2-O 3.46Å; F118-C155 PolarHBondContact N-O 3.08Å; Q152-C155 WeakPolarHBondContact O-CB 3.47Å; Q152-C155 PolarHBondContact O-N 3.13Å; C155-K157 VanDerWaalsContact C-N 3.26Å; C155-K157 PolarHBondContact O-N 2.84Å; C155-E185 PolarHBondContact N-OE2 3.16Å |
| 156 | L | 90.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -89.5 | 12.6 | -177.4 | -53.6 | -176.4 | 0 | 0 | 0 | 113 | F118 L141 L159 L165 E185 L186 L189 | F118-L156 HydrophobicContact CD2-CD2 3.94Å; F118-L156 HydrophobicContact CE2-CD2 3.84Å; L141-L156 HydrophobicContact CD2-CD2 4.48Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 PolarHBondContact O-N 2.81Å; L156-L165 HydrophobicContact CD1-CD2 4.36Å; L156-E185 HydrophobicContact CB-CB 4.41Å; L156-E185 HydrophobicContact CD1-CB 3.99Å; L156-E185 HydrophobicContact CG-CB 4.14Å; L156-E185 PolarHBondContact N-OE2 3.07Å; L156-L186 HydrophobicContact CD1-CD2 4.46Å; L156-L189 HydrophobicContact CB-CD2 4.33Å; L156-L189 HydrophobicContact CD1-CD1 4.09Å |
| 157 | K | 87.2 | Confident | 89.7 | Confident | 100 Ų | 100 | 27.7 Ų | 27.7 | 44% | 0.435 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 141.2 | 172.2 | -174.3 | 177.1 | 167.8 | -156.2 | 0 | 109.4 | F118 E119 G154 C155 | F118-K157 CarbonylContact C-O 3.38Å; E119-K157 VanDerWaalsContact CA-O 3.29Å; E119-K157 WeakPolarHBondContact CA-O 3.49Å; E119-K157 HydrophobicContact CB-CG 4.45Å; E119-K157 HydrophobicContact CG-CD 4.33Å; E119-K157 HydrophobicContact CG-CG 4.4Å; E119-K157 PolarHBondContact N-O 3.45Å; E119-K157 WeakPolarHBondContact OE1-CE 3.14Å; E119-K157 IonicContact OE1-NZ 2.79Å; E119-K157 PolarHBondContact OE1-NZ 2.03Å; E119-K157 VanDerWaalsContact OE2-CD 3.32Å; E119-K157 WeakPolarHBondContact OE2-CD 3.19Å; E119-K157 VanDerWaalsContact OE2-CE 3.24Å; E119-K157 WeakPolarHBondContact OE2-CE 3.3Å; E119-K157 IonicContact OE2-NZ 2.71Å; E119-K157 PolarHBondContact OE2-NZ 3.46Å; G154-K157 WeakPolarHBondContact O-CB 3.41Å; C155-K157 VanDerWaalsContact C-N 3.26Å; C155-K157 PolarHBondContact O-N 2.84Å |
| 158 | G | 81.2 | Confident | 89.8 | Confident | 23 Ų | 23 | 29.4 Ų | 29.4 | 24% | 0.237 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.5 | -32.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S160 | G158-S160 VanDerWaalsContact C-N 3.3Å; G158-S160 PolarHBondContact O-N 3.19Å; G158-S160 VanDerWaalsContact O-N 3.15Å |
| 159 | L | 87.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -86.6 | 27.8 | -173.1 | -58.5 | 178.5 | 0 | 0 | 0 | 115 | I102 F118 M122 L141 L156 N161 L162 L189 | I102-L159 HydrophobicContact CD1-CD2 4.41Å; F118-L159 HydrophobicContact CB-CD1 3.77Å; F118-L159 HydrophobicContact CB-CD2 3.98Å; F118-L159 HydrophobicContact CB-CG 3.68Å; F118-L159 HydrophobicContact CD1-CD1 4.17Å; F118-L159 HydrophobicContact CD2-CD1 3.7Å; F118-L159 HydrophobicContact CE2-CD1 4.33Å; F118-L159 HydrophobicContact CG-CD1 3.62Å; F118-L159 HydrophobicContact CG-CD2 4.38Å; F118-L159 HydrophobicContact CG-CG 4.1Å; M122-L159 HydrophobicContact CE-CD2 3.91Å; M122-L159 HydrophobicContact SD-CD2 4.27Å; L141-L159 HydrophobicContact CD2-CD1 3.59Å; L156-L159 HydrophobicContact CD2-CD1 4.32Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 PolarHBondContact O-N 2.81Å; L159-N161 PolarHBondContact O-N 3.4Å; L159-N161 VanDerWaalsContact O-N 3.1Å; L159-L162 HydrophobicContact CB-CB 4.22Å; L159-L162 HydrophobicContact CD1-CD2 4.47Å; L159-L162 WeakPolarHBondContact O-CB 3.42Å; L159-L162 PolarHBondContact O-N 3.18Å; L159-L189 HydrophobicContact CB-CD2 3.79Å; L159-L189 VanDerWaalsContact O-CD2 3.22Å; L159-L189 WeakPolarHBondContact O-CD2 3.47Å | ||
| 160 | S | 83.9 | Confident | 89.9 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 38% | 0.378 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25.9 | -177.8 | 53.9 | 0 | 0 | 0 | 0 | 114 | G158 | G158-S160 VanDerWaalsContact C-N 3.3Å; G158-S160 PolarHBondContact O-N 3.19Å; G158-S160 VanDerWaalsContact O-N 3.15Å |
| 161 | N | 84.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 17 | 177.7 | -68 | -19.9 | 0 | 0 | 0 | 113.8 | R139 L159 N191 | R139-N161 WeakPolarHBondContact CD-O 3.43Å; L159-N161 PolarHBondContact O-N 3.4Å; L159-N161 VanDerWaalsContact O-N 3.1Å; N161-N191 PolarHBondContact OD1-ND2 2.85Å; N161-N191 VanDerWaalsContact OD1-ND2 3.12Å |
| 162 | L | 90.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -72.2 | 129.5 | 176.4 | -166.9 | 72.1 | 0 | 0 | 0 | 111.1 | R139 L141 L159 V164 L165 L189 N191 L192 | R139-L162 HydrophobicContact CB-CD1 4.44Å; R139-L162 WeakPolarHBondContact O-CD1 3.46Å; L141-L162 HydrophobicContact CB-CD1 3.9Å; L141-L162 HydrophobicContact CB-CD2 4.03Å; L159-L162 HydrophobicContact CB-CB 4.22Å; L159-L162 HydrophobicContact CD1-CD2 4.47Å; L159-L162 WeakPolarHBondContact O-CB 3.42Å; L159-L162 PolarHBondContact O-N 3.18Å; L162-V164 WeakPolarHBondContact CG-O 3.41Å; L162-L165 HydrophobicContact CD2-CB 3.97Å; L162-L165 HydrophobicContact CD2-CD1 4.37Å; L162-L189 HydrophobicContact CD2-CD1 4.31Å; L162-N191 CarbonylContact O-C 3.49Å; L162-L192 HydrophobicContact CB-CD1 4.3Å; L162-L192 HydrophobicContact CD2-CD1 3.95Å; L162-L192 HydrophobicContact CG-CD1 4Å; L162-L192 VanDerWaalsContact O-CA 3.28Å; L162-L192 WeakPolarHBondContact O-CA 3.44Å; L162-L192 PolarHBondContact O-N 3.44Å | ||
| 163 | D | 91.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 21% | 0.206 | C | C | . | . | trans | -90 | -33.1 | 174.9 | -69.6 | -66.7 | 0 | 0 | 0 | 112.3 | E138 R139 K193 S194 | E138-D163 VanDerWaalsContact CA-OD2 3.31Å; E138-D163 WeakPolarHBondContact CA-OD2 3Å; E138-D163 HydrophobicContact CG-CB 3.82Å; R139-D163 PolarHBondContact N-OD2 3.02Å; R139-D163 WeakPolarHBondContact O-CB 3.49Å; R139-D163 PolarHBondContact O-N 3.33Å; D163-K193 HydrophobicContact CB-CD 4.15Å; D163-K193 WeakPolarHBondContact O-CA 3.26Å; D163-K193 WeakPolarHBondContact O-CB 3.46Å; D163-K193 PolarHBondContact O-N 2.89Å; D163-K193 WeakPolarHBondContact OD1-CD 3.38Å; D163-K193 WeakPolarHBondContact OD1-CE 3.08Å; D163-K193 IonicContact OD1-NZ 2.69Å; D163-K193 PolarHBondContact OD1-NZ 3.06Å; D163-K193 IonicContact OD2-NZ 3.5Å; D163-S194 PolarHBondContact O-N 3Å; D163-S194 VanDerWaalsContact O-N 3.07Å | ||
| 164 | V | 93.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130 | -167.3 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | E138 R139 K140 L141 L162 Y166 N657 | E138-V164 HydrophobicContact CG-CG2 4.38Å; E138-V164 WeakPolarHBondContact OE1-CG2 3.2Å; R139-V164 PolarHBondContact O-N 2.92Å; K140-V164 WeakPolarHBondContact CA-O 2.99Å; K140-V164 HydrophobicContact CB-CB 4.08Å; K140-V164 HydrophobicContact CB-CG1 4.34Å; K140-V164 HydrophobicContact CD-CB 4.35Å; K140-V164 HydrophobicContact CD-CG1 4.44Å; K140-V164 HydrophobicContact CD-CG2 4.39Å; K140-V164 HydrophobicContact CG-CB 3.94Å; K140-V164 HydrophobicContact CG-CG1 4.41Å; K140-V164 HydrophobicContact CG-CG2 4.24Å; L141-V164 PolarHBondContact N-O 3.33Å; L162-V164 WeakPolarHBondContact CG-O 3.41Å; V164-Y166 HydrophobicContact CG1-CD2 3.75Å; V164-Y166 HydrophobicContact CG1-CE2 3.37Å; V164-N657 WeakPolarHBondContact CG1-OD1 3.41Å; V164-N657 VanDerWaalsContact CG2-ND2 3.32Å; V164-N657 WeakPolarHBondContact CG2-ND2 3.22Å |
| 165 | L | 95.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.8 | 175 | 178.7 | 57.2 | 0 | 0 | 0 | 111.4 | L141 L156 L162 I167 L186 L189 L192 S194 L195 H196 | L141-L165 HydrophobicContact CB-CD1 4Å; L141-L165 HydrophobicContact CD2-CD1 3.81Å; L141-L165 HydrophobicContact CG-CD1 3.88Å; L156-L165 HydrophobicContact CD1-CD2 4.36Å; L162-L165 HydrophobicContact CD2-CB 3.97Å; L162-L165 HydrophobicContact CD2-CD1 4.37Å; L165-I167 HydrophobicContact CD1-CG1 4.19Å; L165-I167 HydrophobicContact CG-CG1 4.31Å; L165-L186 HydrophobicContact CD2-CD2 3.51Å; L165-L189 HydrophobicContact CD2-CD1 3.9Å; L165-L192 HydrophobicContact CB-CD1 3.91Å; L165-L192 HydrophobicContact CB-CD2 4.22Å; L165-S194 PolarHBondContact N-O 3.01Å; L165-S194 VanDerWaalsContact N-O 3.15Å; L165-L195 HydrophobicContact CB-CD1 4.02Å; L165-L195 HydrophobicContact CD2-CD1 3.88Å; L165-L195 HydrophobicContact CG-CD1 3.94Å; L165-H196 PolarHBondContact O-N 3.2Å |
| 166 | Y | 95.2 | Very high | 86.5 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.1 | 168 | -66.8 | -101.3 | 0 | 0 | 0 | 111.2 | L141 I142 L143 V164 H196 N657 D658 | L141-Y166 PolarHBondContact O-N 3.3Å; I142-Y166 HydrophobicContact CG1-CD2 4Å; L143-Y166 WeakPolarHBondContact CB-O 3.41Å; L143-Y166 PolarHBondContact N-O 2.76Å; V164-Y166 HydrophobicContact CG1-CD2 3.75Å; V164-Y166 HydrophobicContact CG1-CE2 3.37Å; Y166-H196 HydrophobicContact CD1-CB 3.47Å; Y166-H196 VanDerWaalsContact CD1-CB 3.47Å; Y166-H196 AromaticContact CD1-CD2 3.71Å; Y166-H196 AromaticContact CD1-CG 3.77Å; Y166-H196 HydrophobicContact CE1-CB 3.91Å; Y166-H196 HydrophobicContact CG-CB 4.13Å; Y166-N657 WeakPolarHBondContact CE2-OD1 3.32Å; Y166-N657 VanDerWaalsContact OH-C 3.3Å; Y166-N657 WeakPolarHBondContact OH-CA 3.39Å; Y166-N657 WeakPolarHBondContact OH-CB 3.35Å; Y166-N657 VanDerWaalsContact OH-CG 3.25Å; Y166-N657 PolarHBondContact OH-OD1 3.48Å; Y166-D658 VanDerWaalsContact OH-CA 3.25Å; Y166-D658 WeakPolarHBondContact OH-CA 3.47Å; Y166-D658 PolarHBondContact OH-N 3.28Å; Y166-D658 VanDerWaalsContact OH-N 3.15Å |
| 167 | I | 94.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 98.1 | 165.2 | -47.1 | -177.2 | 0 | 0 | 0 | 108 | L143 F151 L165 L182 H196 L197 E198 I200 | L143-I167 HydrophobicContact CD1-CG1 4.38Å; F151-I167 HydrophobicContact CE1-CD1 4.15Å; F151-I167 HydrophobicContact CZ-CD1 3.93Å; L165-I167 HydrophobicContact CD1-CG1 4.19Å; L165-I167 HydrophobicContact CG-CG1 4.31Å; I167-L182 HydrophobicContact CD1-CD1 4.26Å; I167-H196 PolarHBondContact N-O 3.06Å; I167-L197 HydrophobicContact CB-CD2 4.11Å; I167-L197 HydrophobicContact CD1-CD2 4.07Å; I167-L197 HydrophobicContact CG1-CD2 4.18Å; I167-E198 PolarHBondContact O-N 2.8Å; I167-I200 HydrophobicContact CB-CD1 3.98Å; I167-I200 HydrophobicContact CG2-CD1 3.76Å |
| 168 | E | 94 | Very high | 85.4 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 99.3 | 174.7 | -175.9 | -164.1 | 144 | 0 | 0 | 108.9 | L143 K144 G145 E198 | L143-E168 PolarHBondContact O-N 3.08Å; K144-E168 CarbonylContact C-O 3.46Å; K144-E168 VanDerWaalsContact CE-OE2 3.3Å; K144-E168 WeakPolarHBondContact CE-OE2 3.46Å; K144-E168 HydrophobicContact CG-CB 4.27Å; K144-E168 WeakPolarHBondContact CG-OE2 3.47Å; K144-E168 IonicContact NZ-OE2 2.7Å; K144-E168 PolarHBondContact NZ-OE2 2.96Å; G145-E168 PolarHBondContact N-O 3.44Å; E168-E198 HydrophobicContact CG-CB 4.36Å; E168-E198 HydrophobicContact CG-CG 4.45Å |
| 169 | N | 92.9 | Very high | 84.6 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 152.1 | 179.2 | -86.7 | -19.7 | 0 | 0 | 0 | 112.5 | L146 L148 F171 E198 N199 | L146-N169 CarbonylContact O-C 3.54Å; L146-N169 VanDerWaalsContact O-CA 3.28Å; L146-N169 WeakPolarHBondContact O-CA 3.35Å; L146-N169 PolarHBondContact O-OD1 2.86Å; L148-N169 PolarHBondContact N-OD1 3.33Å; L148-N169 PolarHBondContact O-ND2 2.99Å; N169-F171 PolarHBondContact O-N 3.13Å; N169-E198 PolarHBondContact N-O 2.02Å; N169-N199 HydrophobicContact CB-CB 4.03Å; N169-N199 WeakPolarHBondContact CB-O 3.39Å; N169-N199 WeakPolarHBondContact O-CB 3.09Å; N169-N199 PolarHBondContact O-ND2 2.95Å |
| 170 | Y | 88.4 | Confident | 83.6 | Confident | 135 Ų | 135 | 50 Ų | 50 | 53% | 0.529 | 27% | 0.267 | S | S | . | . | trans | -66.3 | 109.3 | 173.8 | 177.9 | -97.2 | 0 | 0 | 0 | 112 | P108 L146 N172 | P108-Y170 HydrophobicContact CB-CD1 4.08Å; P108-Y170 HydrophobicContact CB-CG 4.03Å; L146-Y170 PolarHBondContact O-N 2.71Å; Y170-N172 HydrophobicContact CD1-CB 4.19Å; Y170-N172 HydrophobicContact CE1-CB 3.83Å; Y170-N172 PolarHBondContact O-N 3.28Å | ||
| 171 | F | 84.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | trans | -80.2 | 103.3 | 179.1 | -170.5 | -108.6 | 0 | 0 | 0 | 113 | N169 L175 N199 N225 | N169-F171 PolarHBondContact O-N 3.13Å; F171-L175 HydrophobicContact CD2-CD2 3.47Å; F171-L175 VanDerWaalsContact CD2-CD2 3.47Å; F171-L175 HydrophobicContact CE2-CD2 3.53Å; F171-L175 HydrophobicContact CE2-CG 4.2Å; F171-N199 HydrophobicContact CB-CB 4.3Å; F171-N199 HydrophobicContact CD2-CB 4.32Å; F171-N225 WeakPolarHBondContact CD2-ND2 3.35Å; F171-N225 WeakPolarHBondContact CE2-ND2 3.29Å | ||
| 172 | N | 80.3 | Confident | 83.7 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | trans | -90.7 | -7.6 | 175.8 | 73.6 | 34.4 | 0 | 0 | 0 | 114.6 | Y170 E174 | Y170-N172 HydrophobicContact CD1-CB 4.19Å; Y170-N172 HydrophobicContact CE1-CB 3.83Å; Y170-N172 PolarHBondContact O-N 3.28Å; N172-E174 PolarHBondContact OD1-N 3.5Å; N172-E174 PolarHBondContact OD1-O 3.26Å | ||
| 173 | G | 74.6 | Confident | 83.4 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 113.1 | -22.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 174 | E | 75.7 | Confident | 83.2 | Confident | 162 Ų | 162 | 53.4 Ų | 53.4 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -122.2 | 121.7 | 172.9 | -67.5 | -179.4 | -178.7 | 0 | 0 | 109.5 | N172 | N172-E174 PolarHBondContact OD1-N 3.5Å; N172-E174 PolarHBondContact OD1-O 3.26Å |
| 175 | L | 76.8 | Confident | 82.8 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 137.6 | 175.1 | -57.8 | -173.6 | 0 | 0 | 0 | 110.4 | F171 N199 D201 N225 | F171-L175 HydrophobicContact CD2-CD2 3.47Å; F171-L175 VanDerWaalsContact CD2-CD2 3.47Å; F171-L175 HydrophobicContact CE2-CD2 3.53Å; F171-L175 HydrophobicContact CE2-CG 4.2Å; L175-N199 HydrophobicContact CD2-CB 4.04Å; L175-D201 HydrophobicContact CB-CB 3.69Å; L175-D201 HydrophobicContact CD1-CB 4.41Å; L175-N225 VanDerWaalsContact CD1-O 3.27Å; L175-N225 WeakPolarHBondContact CD1-O 3.29Å |
| 176 | K | 75.5 | Confident | 82.5 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 134.7 | 172.7 | -68.9 | -172.9 | 178.9 | 176 | 0 | 110.7 | E111 H149 L178 D201 | E111-K176 IonicContact OE1-NZ 3.13Å; E111-K176 PolarHBondContact OE1-NZ 3.34Å; E111-K176 IonicContact OE2-NZ 2.92Å; E111-K176 PolarHBondContact OE2-NZ 2.92Å; H149-K176 HydrophobicContact CB-CB 3.9Å; K176-L178 PolarHBondContact O-N 2.85Å; K176-D201 VanDerWaalsContact O-CB 3.3Å; K176-D201 WeakPolarHBondContact O-CB 3.25Å |
| 177 | K | 75.7 | Confident | 81.9 | Confident | 141 Ų | 141 | 58 Ų | 58 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | B | Isolated β-bridge | trans | -58.6 | 120.6 | 178.1 | -82.4 | -175.8 | 175.3 | -165.5 | 0 | 112.2 | H149 D201 | H149-K177 PolarHBondContact CD2-O 3.11Å; K177-D201 WeakPolarHBondContact CG-OD2 3.44Å |
| 178 | L | 78.4 | Confident | 81.2 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 130.7 | 175.6 | -177.4 | 63.2 | 0 | 0 | 0 | 111.1 | F151 K176 L182 I200 D201 M202 | F151-L178 HydrophobicContact CD2-CD1 3.75Å; F151-L178 HydrophobicContact CE2-CD1 3.62Å; K176-L178 PolarHBondContact O-N 2.85Å; L178-L182 HydrophobicContact CD1-CB 4.04Å; L178-L182 HydrophobicContact CD1-CD2 4.07Å; L178-L182 HydrophobicContact CD2-CB 4.05Å; L178-L182 HydrophobicContact CD2-CD2 3.73Å; L178-L182 HydrophobicContact CG-CB 4.32Å; L178-I200 HydrophobicContact CB-CG2 3.97Å; L178-I200 HydrophobicContact CD1-CG2 3.82Å; L178-I200 HydrophobicContact CD2-CG2 3.88Å; L178-I200 HydrophobicContact CG-CG2 4.1Å; L178-D201 WeakPolarHBondContact CB-O 3.49Å; L178-D201 PolarHBondContact N-O 3.29Å; L178-M202 HydrophobicContact CD2-CG 4.07Å |
| 179 | S | 64.7 | Low | 80.9 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 131.4 | 165.1 | 65.9 | 0 | 0 | 0 | 0 | 109.7 | H149 F151 N181 L182 | H149-S179 PolarHBondContact O-N 2.9Å; H149-S179 PolarHBondContact O-OG 3.14Å; F151-S179 PolarHBondContact N-OG 3.5Å; S179-N181 PolarHBondContact O-N 2.99Å; S179-L182 PolarHBondContact O-N 3.47Å |
| 180 | G | 67 | Low | 80.4 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 55% | 0.546 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -8.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L182 | G180-L182 VanDerWaalsContact C-N 3.3Å; G180-L182 PolarHBondContact O-N 2.84Å |
| 181 | N | 81.8 | Confident | 80.4 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20.6 | 179.1 | -59.3 | 2.8 | 0 | 0 | 0 | 114.1 | F151 S179 F183 Q184 E185 | F151-N181 HydrophobicContact CB-CB 4.29Å; F151-N181 VanDerWaalsContact O-CB 3.23Å; F151-N181 WeakPolarHBondContact O-CB 3.46Å; F151-N181 PolarHBondContact O-ND2 2.69Å; S179-N181 PolarHBondContact O-N 2.99Å; N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 2.9Å; N181-Q184 WeakPolarHBondContact O-CA 3.08Å; N181-Q184 WeakPolarHBondContact O-CB 3.08Å; N181-Q184 PolarHBondContact O-N 3Å; N181-E185 PolarHBondContact O-N 2.87Å |
| 182 | L | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.9 | -48.8 | -177.5 | 177.9 | 62.2 | 0 | 0 | 0 | 111.9 | F151 I167 L178 S179 G180 Q184 E185 L186 L197 | F151-L182 HydrophobicContact CD1-CD1 3.95Å; F151-L182 HydrophobicContact CD2-CB 4.16Å; F151-L182 HydrophobicContact CD2-CD1 4.29Å; F151-L182 HydrophobicContact CE1-CD1 3.81Å; F151-L182 HydrophobicContact CE2-CD1 4.16Å; F151-L182 HydrophobicContact CG-CB 4.39Å; F151-L182 HydrophobicContact CG-CD1 4.2Å; F151-L182 HydrophobicContact CZ-CD1 3.93Å; I167-L182 HydrophobicContact CD1-CD1 4.26Å; L178-L182 HydrophobicContact CD1-CB 4.04Å; L178-L182 HydrophobicContact CD1-CD2 4.07Å; L178-L182 HydrophobicContact CD2-CB 4.05Å; L178-L182 HydrophobicContact CD2-CD2 3.73Å; L178-L182 HydrophobicContact CG-CB 4.32Å; S179-L182 PolarHBondContact O-N 3.47Å; G180-L182 VanDerWaalsContact C-N 3.3Å; G180-L182 PolarHBondContact O-N 2.84Å; L182-Q184 PolarHBondContact O-N 3.39Å; L182-E185 PolarHBondContact O-N 2.84Å; L182-L186 HydrophobicContact CD1-CD1 4.31Å; L182-L186 HydrophobicContact CD1-CD2 4.5Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 3.99Å; L182-L186 HydrophobicContact CG-CG 4.28Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.3Å; L182-L197 HydrophobicContact CD2-CD1 4.3Å; L182-L197 HydrophobicContact CD2-CD2 4.28Å |
| 183 | F | 85.3 | Confident | 81.3 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 9% | 0.088 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.6 | -19.7 | 178 | -62.8 | -72.1 | 0 | 0 | 0 | 113.4 | N181 L186 M202 I206 P207 A210 F211 | N181-F183 VanDerWaalsContact C-N 3.34Å; N181-F183 PolarHBondContact O-N 2.9Å; F183-L186 HydrophobicContact CD1-CD1 4.14Å; F183-M202 HydrophobicContact CE2-SD 4.44Å; F183-M202 HydrophobicContact CZ-SD 3.83Å; F183-I206 HydrophobicContact CZ-CG1 4.25Å; F183-P207 HydrophobicContact CB-CG 4.18Å; F183-P207 HydrophobicContact CD2-CG 3.72Å; F183-P207 HydrophobicContact CE2-CG 4.31Å; F183-P207 HydrophobicContact CG-CG 4Å; F183-A210 HydrophobicContact CB-CB 4.47Å; F183-A210 HydrophobicContact CD1-CB 3.8Å; F183-A210 HydrophobicContact CE1-CB 4.28Å; F183-A210 HydrophobicContact CG-CB 4.21Å; F183-F211 HydrophobicContact CE1-CZ 4.4Å |
| 184 | Q | 85.4 | Confident | 82.3 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -77.6 | -39.9 | 172.1 | -59 | -179.7 | -19.4 | 0 | 0 | 111.2 | N181 L182 K187 | N181-Q184 WeakPolarHBondContact O-CA 3.08Å; N181-Q184 WeakPolarHBondContact O-CB 3.08Å; N181-Q184 PolarHBondContact O-N 3Å; L182-Q184 PolarHBondContact O-N 3.39Å; Q184-K187 WeakPolarHBondContact O-CB 3.35Å; Q184-K187 PolarHBondContact O-N 3.09Å |
| 185 | E | 87.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | 176 | -67.5 | -62.3 | 111.8 | 0 | 0 | 112.2 | H153 G154 C155 L156 N181 L182 K187 N188 | H153-E185 VanDerWaalsContact CA-OE1 3.31Å; H153-E185 WeakPolarHBondContact CA-OE1 3.34Å; H153-E185 IonicContact CE1-OE1 2.86Å; H153-E185 IonicContact CG-OE1 3.04Å; H153-E185 IonicContact ND1-OE1 3.75Å; H153-E185 PolarHBondContact ND1-OE1 3.34Å; G154-E185 VanDerWaalsContact C-OE2 3.31Å; G154-E185 WeakPolarHBondContact CA-OE2 3.31Å; G154-E185 PolarHBondContact N-OE1 3.28Å; G154-E185 PolarHBondContact N-OE2 3.43Å; C155-E185 PolarHBondContact N-OE2 3.16Å; L156-E185 HydrophobicContact CB-CB 4.41Å; L156-E185 HydrophobicContact CD1-CB 3.99Å; L156-E185 HydrophobicContact CG-CB 4.14Å; L156-E185 PolarHBondContact N-OE2 3.07Å; N181-E185 PolarHBondContact O-N 2.87Å; L182-E185 PolarHBondContact O-N 2.84Å; E185-K187 PolarHBondContact O-N 2.86Å; E185-N188 PolarHBondContact O-N 2.84Å; E185-N188 PolarHBondContact O-ND2 3.06Å |
| 186 | L | 87.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -29 | 176.2 | -69.8 | 174.4 | 0 | 0 | 0 | 112.8 | L156 L165 L182 F183 N188 L189 L195 W214 | L156-L186 HydrophobicContact CD1-CD2 4.46Å; L165-L186 HydrophobicContact CD2-CD2 3.51Å; L182-L186 HydrophobicContact CD1-CD1 4.31Å; L182-L186 HydrophobicContact CD1-CD2 4.5Å; L182-L186 HydrophobicContact CD1-CG 4.14Å; L182-L186 HydrophobicContact CG-CD1 3.99Å; L182-L186 HydrophobicContact CG-CG 4.28Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.3Å; F183-L186 HydrophobicContact CD1-CD1 4.14Å; L186-N188 PolarHBondContact O-N 3.48Å; L186-N188 VanDerWaalsContact O-N 3.09Å; L186-L189 HydrophobicContact CD2-CD1 3.78Å; L186-L189 WeakPolarHBondContact O-CB 3.05Å; L186-L189 PolarHBondContact O-N 3.04Å; L186-L195 HydrophobicContact CD1-CD2 3.81Å; L186-L195 HydrophobicContact CD2-CD1 4.2Å; L186-L195 HydrophobicContact CD2-CD2 4.41Å; L186-W214 HydrophobicContact CB-CH2 4.35Å; L186-W214 HydrophobicContact CB-CZ2 3.76Å; L186-W214 HydrophobicContact CD1-CH2 4.48Å; L186-W214 HydrophobicContact CD1-CZ2 4.38Å |
| 187 | K | 82.8 | Confident | 85 | Confident | 113 Ų | 113 | 40.6 Ų | 40.6 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.1 | 178.9 | -167.1 | -176.4 | 175.6 | -172.1 | 0 | 113.3 | Q184 E185 H190 | Q184-K187 WeakPolarHBondContact O-CB 3.35Å; Q184-K187 PolarHBondContact O-N 3.09Å; E185-K187 PolarHBondContact O-N 2.86Å; K187-H190 PolarHBondContact O-CE1 3.45Å; K187-H190 PolarHBondContact O-ND1 2.91Å |
| 188 | N | 81.1 | Confident | 85.9 | Confident | 66 Ų | 66 | 35.9 Ų | 35.9 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.9 | -178.3 | -54.3 | -40.8 | 0 | 0 | 0 | 113.4 | E185 L186 H190 | E185-N188 PolarHBondContact O-N 2.84Å; E185-N188 PolarHBondContact O-ND2 3.06Å; L186-N188 PolarHBondContact O-N 3.48Å; L186-N188 VanDerWaalsContact O-N 3.09Å; N188-H190 VanDerWaalsContact C-N 3.32Å; N188-H190 PolarHBondContact O-N 2.71Å; N188-H190 VanDerWaalsContact O-N 3.15Å |
| 189 | L | 87.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | trans | -90.4 | 64.1 | -176.5 | -53.8 | 179.2 | 0 | 0 | 0 | 110.5 | L156 L159 L162 L165 L186 N191 L192 | L156-L189 HydrophobicContact CB-CD2 4.33Å; L156-L189 HydrophobicContact CD1-CD1 4.09Å; L159-L189 HydrophobicContact CB-CD2 3.79Å; L159-L189 VanDerWaalsContact O-CD2 3.22Å; L159-L189 WeakPolarHBondContact O-CD2 3.47Å; L162-L189 HydrophobicContact CD2-CD1 4.31Å; L165-L189 HydrophobicContact CD2-CD1 3.9Å; L186-L189 HydrophobicContact CD2-CD1 3.78Å; L186-L189 WeakPolarHBondContact O-CB 3.05Å; L186-L189 PolarHBondContact O-N 3.04Å; L189-N191 PolarHBondContact O-N 3.45Å; L189-N191 VanDerWaalsContact O-N 3.13Å; L189-L192 HydrophobicContact CB-CB 4.02Å; L189-L192 HydrophobicContact CB-CD2 4.39Å; L189-L192 HydrophobicContact CD1-CD2 4.04Å; L189-L192 VanDerWaalsContact O-CB 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.43Å; L189-L192 PolarHBondContact O-N 2.84Å | ||
| 190 | H | 82.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 34.4 Ų | 34.4 | 47% | 0.468 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.3 | -167.8 | -59.2 | -45.2 | 0 | 0 | 0 | 114.7 | K187 N188 H217 | K187-H190 PolarHBondContact O-CE1 3.45Å; K187-H190 PolarHBondContact O-ND1 2.91Å; N188-H190 VanDerWaalsContact C-N 3.32Å; N188-H190 PolarHBondContact O-N 2.71Å; N188-H190 VanDerWaalsContact O-N 3.15Å; H190-H217 PolarHBondContact O-CD2 3.46Å |
| 191 | N | 87.1 | Confident | 88.8 | Confident | 57 Ų | 57 | 32.3 Ų | 32.3 | 31% | 0.305 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 0.3 | 179.8 | -75.5 | -47.2 | 0 | 0 | 0 | 114.9 | N161 L162 L189 K193 | N161-N191 PolarHBondContact OD1-ND2 2.85Å; N161-N191 VanDerWaalsContact OD1-ND2 3.12Å; L162-N191 CarbonylContact O-C 3.49Å; L189-N191 PolarHBondContact O-N 3.45Å; L189-N191 VanDerWaalsContact O-N 3.13Å; N191-K193 PolarHBondContact O-N 3.04Å; N191-K193 VanDerWaalsContact O-N 3.1Å |
| 192 | L | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -63.7 | 112.9 | -168.9 | -161.6 | 72.5 | 0 | 0 | 0 | 112.7 | L162 L165 L189 S194 L195 W214 H217 L218 | L162-L192 HydrophobicContact CB-CD1 4.3Å; L162-L192 HydrophobicContact CD2-CD1 3.95Å; L162-L192 HydrophobicContact CG-CD1 4Å; L162-L192 VanDerWaalsContact O-CA 3.28Å; L162-L192 WeakPolarHBondContact O-CA 3.44Å; L162-L192 PolarHBondContact O-N 3.44Å; L165-L192 HydrophobicContact CB-CD1 3.91Å; L165-L192 HydrophobicContact CB-CD2 4.22Å; L189-L192 HydrophobicContact CB-CB 4.02Å; L189-L192 HydrophobicContact CB-CD2 4.39Å; L189-L192 HydrophobicContact CD1-CD2 4.04Å; L189-L192 VanDerWaalsContact O-CB 3.31Å; L189-L192 WeakPolarHBondContact O-CB 3.43Å; L189-L192 PolarHBondContact O-N 2.84Å; L192-S194 WeakPolarHBondContact CG-O 3.3Å; L192-L195 HydrophobicContact CD2-CB 4.25Å; L192-L195 HydrophobicContact CD2-CD1 4.44Å; L192-W214 HydrophobicContact CB-CE3 4.03Å; L192-W214 HydrophobicContact CB-CZ3 4.25Å; L192-W214 HydrophobicContact CD2-CE3 4.27Å; L192-W214 HydrophobicContact CD2-CH2 4.24Å; L192-W214 HydrophobicContact CD2-CZ3 3.69Å; L192-W214 HydrophobicContact CG-CZ3 4.39Å; L192-H217 CarbonylContact O-C 3.52Å; L192-L218 VanDerWaalsContact O-CA 3.24Å; L192-L218 WeakPolarHBondContact O-CA 3.31Å; L192-L218 PolarHBondContact O-N 2.94Å; L192-L218 VanDerWaalsContact O-N 3.09Å | ||
| 193 | K | 92.7 | Very high | 89.1 | Confident | 71 Ų | 71 | 31.6 Ų | 31.6 | 31% | 0.309 | 15% | 0.153 | S | C | . | . | trans | -87.1 | -28.2 | 179.3 | -64.7 | 168.4 | -175.8 | 151.2 | 0 | 112.6 | D163 N191 K219 I220 | D163-K193 HydrophobicContact CB-CD 4.15Å; D163-K193 WeakPolarHBondContact O-CA 3.26Å; D163-K193 WeakPolarHBondContact O-CB 3.46Å; D163-K193 PolarHBondContact O-N 2.89Å; D163-K193 WeakPolarHBondContact OD1-CD 3.38Å; D163-K193 WeakPolarHBondContact OD1-CE 3.08Å; D163-K193 IonicContact OD1-NZ 2.69Å; D163-K193 PolarHBondContact OD1-NZ 3.06Å; D163-K193 IonicContact OD2-NZ 3.5Å; N191-K193 PolarHBondContact O-N 3.04Å; N191-K193 VanDerWaalsContact O-N 3.1Å; K193-K219 HydrophobicContact CB-CD 4.08Å; K193-K219 HydrophobicContact CG-CD 4.24Å; K193-K219 PolarHBondContact O-N 3.02Å; K193-I220 PolarHBondContact O-N 3.15Å | ||
| 194 | S | 94.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 140.3 | -178.9 | -168.7 | 0 | 0 | 0 | 0 | 112.8 | D163 L165 L192 I220 N657 | D163-S194 PolarHBondContact O-N 3Å; D163-S194 VanDerWaalsContact O-N 3.07Å; L165-S194 PolarHBondContact N-O 3.01Å; L165-S194 VanDerWaalsContact N-O 3.15Å; L192-S194 WeakPolarHBondContact CG-O 3.3Å; S194-I220 WeakPolarHBondContact CA-O 3.29Å; S194-N657 WeakPolarHBondContact CB-ND2 3.32Å; S194-N657 PolarHBondContact OG-ND2 3.18Å |
| 195 | L | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 119.5 | 172.8 | 179.2 | 61.7 | 0 | 0 | 0 | 110.6 | L165 L186 L192 L197 F211 W214 L218 I220 L221 T222 | L165-L195 HydrophobicContact CB-CD1 4.02Å; L165-L195 HydrophobicContact CD2-CD1 3.88Å; L165-L195 HydrophobicContact CG-CD1 3.94Å; L186-L195 HydrophobicContact CD1-CD2 3.81Å; L186-L195 HydrophobicContact CD2-CD1 4.2Å; L186-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 HydrophobicContact CD2-CB 4.25Å; L192-L195 HydrophobicContact CD2-CD1 4.44Å; L195-L197 HydrophobicContact CD1-CD2 3.87Å; L195-L197 HydrophobicContact CD1-CG 4.12Å; L195-L197 HydrophobicContact CD2-CD1 4.16Å; L195-L197 HydrophobicContact CD2-CG 4.28Å; L195-L197 HydrophobicContact CG-CD1 4.46Å; L195-L197 HydrophobicContact CG-CD2 4.34Å; L195-L197 HydrophobicContact CG-CG 4.03Å; L195-F211 HydrophobicContact CD2-CE1 4.4Å; L195-W214 HydrophobicContact CD2-CH2 3.95Å; L195-L218 HydrophobicContact CB-CD1 4.29Å; L195-I220 PolarHBondContact N-O 3.29Å; L195-I220 VanDerWaalsContact N-O 3.15Å; L195-L221 HydrophobicContact CB-CD1 4.08Å; L195-L221 HydrophobicContact CD2-CD1 3.99Å; L195-L221 HydrophobicContact CG-CD1 4.18Å; L195-T222 PolarHBondContact O-N 3.2Å |
| 196 | H | 96 | Very high | 89.5 | Confident | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.046 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.4 | 169.3 | -174.3 | 73.5 | 0 | 0 | 0 | 110.5 | L165 Y166 I167 E198 T222 D658 | L165-H196 PolarHBondContact O-N 3.2Å; Y166-H196 HydrophobicContact CD1-CB 3.47Å; Y166-H196 VanDerWaalsContact CD1-CB 3.47Å; Y166-H196 AromaticContact CD1-CD2 3.71Å; Y166-H196 AromaticContact CD1-CG 3.77Å; Y166-H196 HydrophobicContact CE1-CB 3.91Å; Y166-H196 HydrophobicContact CG-CB 4.13Å; I167-H196 PolarHBondContact N-O 3.06Å; H196-E198 IonicContact CE1-OE2 2.67Å; H196-E198 IonicContact NE2-OE2 2.68Å; H196-E198 PolarHBondContact NE2-OE2 3.36Å; H196-T222 WeakPolarHBondContact ND1-CB 3.36Å; H196-T222 WeakPolarHBondContact ND1-CG2 3.42Å; H196-D658 IonicContact ND1-OD1 2.7Å |
| 197 | L | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120.5 | 174.1 | -61.4 | 179.6 | 0 | 0 | 0 | 109.4 | I167 L182 L195 I200 M202 T222 M223 I224 N226 | I167-L197 HydrophobicContact CB-CD2 4.11Å; I167-L197 HydrophobicContact CD1-CD2 4.07Å; I167-L197 HydrophobicContact CG1-CD2 4.18Å; L182-L197 HydrophobicContact CD2-CD1 4.3Å; L182-L197 HydrophobicContact CD2-CD2 4.28Å; L195-L197 HydrophobicContact CD1-CD2 3.87Å; L195-L197 HydrophobicContact CD1-CG 4.12Å; L195-L197 HydrophobicContact CD2-CD1 4.16Å; L195-L197 HydrophobicContact CD2-CG 4.28Å; L195-L197 HydrophobicContact CG-CD1 4.46Å; L195-L197 HydrophobicContact CG-CD2 4.34Å; L195-L197 HydrophobicContact CG-CG 4.03Å; L197-I200 HydrophobicContact CB-CD1 4.13Å; L197-I200 HydrophobicContact CD2-CD1 3.84Å; L197-I200 HydrophobicContact CG-CD1 4.49Å; L197-M202 HydrophobicContact CB-CE 4.21Å; L197-M202 HydrophobicContact CD1-CE 3.88Å; L197-M202 HydrophobicContact CD1-SD 4.03Å; L197-T222 PolarHBondContact N-O 2.87Å; L197-M223 WeakPolarHBondContact O-CA 3.42Å; L197-I224 PolarHBondContact O-N 2.81Å; L197-N226 PolarHBondContact O-ND2 2.81Å |
| 198 | E | 94.5 | Very high | 90 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.5 | 179.5 | -177.6 | 177.5 | 159 | 0 | 0 | 112.5 | I167 E168 N169 H196 I224 | I167-E198 PolarHBondContact O-N 2.8Å; E168-E198 HydrophobicContact CG-CB 4.36Å; E168-E198 HydrophobicContact CG-CG 4.45Å; N169-E198 PolarHBondContact N-O 2.02Å; H196-E198 IonicContact CE1-OE2 2.67Å; H196-E198 IonicContact NE2-OE2 2.68Å; H196-E198 PolarHBondContact NE2-OE2 3.36Å; E198-I224 WeakPolarHBondContact CA-O 3.29Å; E198-I224 HydrophobicContact CB-CB 4.34Å; E198-I224 HydrophobicContact CG-CB 3.98Å; E198-I224 HydrophobicContact CG-CG2 4.33Å |
| 199 | N | 92.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 35.5 Ų | 35.5 | 8% | 0.08 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 61.3 | 40.1 | -179.2 | -53.7 | -49.4 | 0 | 0 | 0 | 113.6 | N169 F171 L175 I224 N225 N226 | N169-N199 HydrophobicContact CB-CB 4.03Å; N169-N199 WeakPolarHBondContact CB-O 3.39Å; N169-N199 WeakPolarHBondContact O-CB 3.09Å; N169-N199 PolarHBondContact O-ND2 2.95Å; F171-N199 HydrophobicContact CB-CB 4.3Å; F171-N199 HydrophobicContact CD2-CB 4.32Å; L175-N199 HydrophobicContact CD2-CB 4.04Å; N199-I224 PolarHBondContact N-O 2.97Å; N199-N225 PolarHBondContact OD1-ND2 3.23Å; N199-N226 PolarHBondContact N-OD1 2.93Å |
| 200 | I | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -118 | 124.4 | 178.4 | -51.9 | -177.9 | 0 | 0 | 0 | 109.2 | I167 L178 L197 M202 N226 | I167-I200 HydrophobicContact CB-CD1 3.98Å; I167-I200 HydrophobicContact CG2-CD1 3.76Å; L178-I200 HydrophobicContact CB-CG2 3.97Å; L178-I200 HydrophobicContact CD1-CG2 3.82Å; L178-I200 HydrophobicContact CD2-CG2 3.88Å; L178-I200 HydrophobicContact CG-CG2 4.1Å; L197-I200 HydrophobicContact CB-CD1 4.13Å; L197-I200 HydrophobicContact CD2-CD1 3.84Å; L197-I200 HydrophobicContact CG-CD1 4.49Å; I200-M202 HydrophobicContact CG2-CG 4.42Å; I200-M202 PolarHBondContact O-N 3.18Å; I200-N226 PolarHBondContact N-OD1 3.07Å; I200-N226 CarbonylContact O-C 2.92Å; I200-N226 WeakPolarHBondContact O-CA 3.15Å; I200-N226 WeakPolarHBondContact O-CB 3.3Å; I200-N226 PolarHBondContact O-OD1 2.85Å; I200-N226 VanDerWaalsContact O-OD1 3.13Å | ||
| 201 | D | 88.5 | Confident | 90.4 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -72.3 | 97.6 | -178.8 | -174.7 | 16.2 | 0 | 0 | 0 | 111.9 | L175 K176 K177 L178 S203 | L175-D201 HydrophobicContact CB-CB 3.69Å; L175-D201 HydrophobicContact CD1-CB 4.41Å; K176-D201 VanDerWaalsContact O-CB 3.3Å; K176-D201 WeakPolarHBondContact O-CB 3.25Å; K177-D201 WeakPolarHBondContact CG-OD2 3.44Å; L178-D201 WeakPolarHBondContact CB-O 3.49Å; L178-D201 PolarHBondContact N-O 3.29Å; D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 WeakPolarHBondContact OD1-CB 3.31Å; D201-S203 PolarHBondContact OD1-N 2.91Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; D201-S203 PolarHBondContact OD2-OG 2.56Å |
| 202 | M | 88.7 | Confident | 90.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | trans | -100.7 | 27.8 | 172.3 | -62.5 | -163.6 | -81.1 | 0 | 0 | 112.1 | L178 F183 L197 I200 I204 G205 M223 N226 L228 | L178-M202 HydrophobicContact CD2-CG 4.07Å; F183-M202 HydrophobicContact CE2-SD 4.44Å; F183-M202 HydrophobicContact CZ-SD 3.83Å; L197-M202 HydrophobicContact CB-CE 4.21Å; L197-M202 HydrophobicContact CD1-CE 3.88Å; L197-M202 HydrophobicContact CD1-SD 4.03Å; I200-M202 HydrophobicContact CG2-CG 4.42Å; I200-M202 PolarHBondContact O-N 3.18Å; M202-I204 PolarHBondContact O-N 2.86Å; M202-G205 WeakPolarHBondContact O-CA 3.32Å; M202-G205 PolarHBondContact O-N 2.94Å; M202-M223 HydrophobicContact CE-CB 4.43Å; M202-M223 HydrophobicContact CE-CG 4.07Å; M202-M223 HydrophobicContact CE-SD 3.86Å; M202-N226 WeakPolarHBondContact CA-O 3.42Å; M202-N226 HydrophobicContact CB-CB 4.37Å; M202-N226 HydrophobicContact CE-CB 3.6Å; M202-N226 VanDerWaalsContact CE-ND2 3.33Å; M202-N226 WeakPolarHBondContact CE-ND2 3.41Å; M202-N226 HydrophobicContact CG-CB 4.45Å; M202-N226 PolarHBondContact N-O 2.87Å; M202-L228 HydrophobicContact CB-CD1 4.05Å | ||
| 203 | S | 86.8 | Confident | 89.4 | Confident | 37 Ų | 37 | 34.7 Ų | 34.7 | 26% | 0.259 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.9 | 175.4 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | D201 G205 N227 | D201-S203 VanDerWaalsContact CG-OG 3.27Å; D201-S203 WeakPolarHBondContact OD1-CB 3.31Å; D201-S203 PolarHBondContact OD1-N 2.91Å; D201-S203 PolarHBondContact OD1-OG 2.98Å; D201-S203 PolarHBondContact OD2-OG 2.56Å; S203-G205 VanDerWaalsContact C-N 3.29Å; S203-N227 WeakPolarHBondContact CA-O 3.34Å |
| 204 | I | 85.2 | Confident | 88.7 | Confident | 123 Ų | 123 | 31.3 Ų | 31.3 | 63% | 0.631 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -24.8 | 168.4 | -61 | 173.9 | 0 | 0 | 0 | 111.2 | M202 | M202-I204 PolarHBondContact O-N 2.86Š|
| 205 | G | 88.8 | Confident | 88 | Confident | 9 Ų | 9 | 31.2 Ų | 31.2 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | trans | 91.4 | 164.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M202 S203 R230 | M202-G205 WeakPolarHBondContact O-CA 3.32Å; M202-G205 PolarHBondContact O-N 2.94Å; S203-G205 VanDerWaalsContact C-N 3.29Å; G205-R230 CarbonylContact C-O 3.34Å; G205-R230 WeakPolarHBondContact CA-O 3.16Å | ||
| 206 | I | 91.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -74 | 125.6 | 172.4 | -64.5 | 174 | 0 | 0 | 0 | 108.8 | F183 A210 F211 M223 L228 R230 I231 H232 A235 | F183-I206 HydrophobicContact CZ-CG1 4.25Å; I206-A210 HydrophobicContact CG2-CB 3.48Å; I206-A210 VanDerWaalsContact CG2-CB 3.48Å; I206-F211 HydrophobicContact CD1-CE2 4.18Å; I206-F211 HydrophobicContact CD1-CZ 4.43Å; I206-F211 HydrophobicContact CG2-CE2 3.84Å; I206-M223 HydrophobicContact CD1-CE 3.88Å; I206-M223 HydrophobicContact CD1-SD 3.83Å; I206-L228 HydrophobicContact CD1-CD1 4.45Å; I206-L228 HydrophobicContact CD1-CD2 4.01Å; I206-L228 HydrophobicContact CG1-CD1 3.89Å; I206-L228 HydrophobicContact CG1-CD2 4.36Å; I206-R230 PolarHBondContact N-O 2.94Å; I206-R230 VanDerWaalsContact N-O 3.11Å; I206-I231 HydrophobicContact CB-CG2 4.28Å; I206-I231 HydrophobicContact CD1-CD1 4.18Å; I206-I231 HydrophobicContact CD1-CG1 4.07Å; I206-I231 HydrophobicContact CG1-CG1 4.48Å; I206-H232 WeakPolarHBondContact O-CB 3.23Å; I206-H232 PolarHBondContact O-N 3.32Å; I206-A235 HydrophobicContact CG2-CB 3.72Å |
| 207 | P | 90.5 | Very high | 87.1 | Confident | 55 Ų | 55 | 37 Ų | 37 | 36% | 0.357 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 172.1 | -175.7 | 30.6 | -35 | 0 | 0 | 0 | 113.4 | F183 A210 | F183-P207 HydrophobicContact CB-CG 4.18Å; F183-P207 HydrophobicContact CD2-CG 3.72Å; F183-P207 HydrophobicContact CE2-CG 4.31Å; F183-P207 HydrophobicContact CG-CG 4Å; P207-A210 HydrophobicContact CG-CB 4.05Å; P207-A210 WeakPolarHBondContact O-CB 3.48Å |
| 208 | Q | 89.4 | Confident | 86.9 | Confident | 88 Ų | 88 | 37 Ų | 37 | 41% | 0.411 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 138.6 | 169.8 | -168.4 | 171.6 | 20.1 | 0 | 0 | 110.7 | A210 H232 E234 | Q208-A210 PolarHBondContact O-N 3.36Å; Q208-A210 VanDerWaalsContact O-N 3.1Å; Q208-H232 WeakPolarHBondContact CB-ND1 3.47Å; Q208-E234 HydrophobicContact CG-CB 4.06Å; Q208-E234 PolarHBondContact NE2-OE2 3.33Å |
| 209 | Y | 86.6 | Confident | 86.9 | Confident | 115 Ų | 115 | 36.1 Ų | 36.1 | 45% | 0.451 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 19.4 | 177.5 | -48.9 | -39.4 | 0 | 0 | 0 | 116.1 | F211 Y212 E234 P237 | Y209-F211 PolarHBondContact O-N 3.3Å; Y209-F211 VanDerWaalsContact O-N 3.08Å; Y209-Y212 VanDerWaalsContact O-CB 3.29Å; Y209-Y212 WeakPolarHBondContact O-CB 3.2Å; Y209-Y212 PolarHBondContact O-N 3.46Å; Y209-E234 HydrophobicContact CD1-CB 4.37Å; Y209-E234 HydrophobicContact CE1-CB 3.93Å; Y209-E234 WeakPolarHBondContact CE1-OE2 3.41Å; Y209-E234 VanDerWaalsContact CZ-OE2 3.24Å; Y209-E234 PolarHBondContact N-O 3.13Å; Y209-E234 PolarHBondContact OH-OE2 2.86Å; Y209-P237 HydrophobicContact CD1-CB 4.05Å; Y209-P237 HydrophobicContact CD1-CG 4.12Å; Y209-P237 HydrophobicContact CE1-CB 4.28Å |
| 210 | A | 87 | Confident | 87 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -34.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F183 I206 P207 Q208 | F183-A210 HydrophobicContact CB-CB 4.47Å; F183-A210 HydrophobicContact CD1-CB 3.8Å; F183-A210 HydrophobicContact CE1-CB 4.28Å; F183-A210 HydrophobicContact CG-CB 4.21Å; I206-A210 HydrophobicContact CG2-CB 3.48Å; I206-A210 VanDerWaalsContact CG2-CB 3.48Å; P207-A210 HydrophobicContact CG-CB 4.05Å; P207-A210 WeakPolarHBondContact O-CB 3.48Å; Q208-A210 PolarHBondContact O-N 3.36Å; Q208-A210 VanDerWaalsContact O-N 3.1Å |
| 211 | F | 87.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 15.1 | -179.4 | -56.6 | -74.3 | 0 | 0 | 0 | 113.3 | F183 L195 I206 Y209 G213 W214 I215 L218 L221 F236 | F183-F211 HydrophobicContact CE1-CZ 4.4Å; L195-F211 HydrophobicContact CD2-CE1 4.4Å; I206-F211 HydrophobicContact CD1-CE2 4.18Å; I206-F211 HydrophobicContact CD1-CZ 4.43Å; I206-F211 HydrophobicContact CG2-CE2 3.84Å; Y209-F211 PolarHBondContact O-N 3.3Å; Y209-F211 VanDerWaalsContact O-N 3.08Å; F211-G213 PolarHBondContact O-N 3.4Å; F211-W214 AromaticContact CD1-CH2 3.5Å; F211-W214 HydrophobicContact CD1-CH2 3.5Å; F211-W214 AromaticContact CD1-CZ2 3.47Å; F211-W214 HydrophobicContact CD1-CZ2 3.47Å; F211-W214 VanDerWaalsContact CD1-CZ2 3.47Å; F211-W214 HydrophobicContact CD1-CZ3 4.27Å; F211-W214 AromaticContact CE1-CH2 3.8Å; F211-W214 HydrophobicContact CE1-CH2 3.8Å; F211-W214 HydrophobicContact CE1-CZ2 4.02Å; F211-W214 HydrophobicContact CG-CZ2 4.47Å; F211-I215 HydrophobicContact CB-CB 4.33Å; F211-I215 WeakPolarHBondContact O-CB 3.37Å; F211-I215 PolarHBondContact O-N 3.11Å; F211-L218 HydrophobicContact CD1-CD2 4.03Å; F211-L218 HydrophobicContact CE1-CD2 4.38Å; F211-L221 HydrophobicContact CE1-CD1 4.22Å; F211-L221 HydrophobicContact CE1-CD2 3.95Å; F211-L221 HydrophobicContact CE2-CD2 4.02Å; F211-L221 HydrophobicContact CZ-CD1 4.26Å; F211-L221 HydrophobicContact CZ-CD2 3.51Å; F211-F236 HydrophobicContact CB-CD1 4.32Å; F211-F236 AromaticContact CD2-CD1 3.61Å; F211-F236 HydrophobicContact CD2-CD1 3.61Å; F211-F236 AromaticContact CD2-CE1 3.24Å; F211-F236 HydrophobicContact CD2-CE1 3.24Å; F211-F236 HydrophobicContact CD2-CG 4.48Å; F211-F236 AromaticContact CD2-CZ 3.85Å; F211-F236 HydrophobicContact CD2-CZ 3.85Å; F211-F236 HydrophobicContact CE2-CD1 4.3Å; F211-F236 AromaticContact CE2-CE1 3.5Å; F211-F236 HydrophobicContact CE2-CE1 3.5Å; F211-F236 VanDerWaalsContact CE2-CE1 3.5Å; F211-F236 AromaticContact CE2-CZ 3.67Å; F211-F236 HydrophobicContact CE2-CZ 3.67Å; F211-F236 HydrophobicContact CG-CD1 4.2Å; F211-F236 AromaticContact CG-CE1 3.96Å; F211-F236 HydrophobicContact CG-CE1 3.96Å; F211-F236 HydrophobicContact CZ-CE1 4.4Å |
| 212 | Y | 82.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 35.4 Ų | 35.4 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 132.6 | -176.9 | 179.4 | -85.5 | 0 | 0 | 0 | 112.2 | Y209 W214 P237 | Y209-Y212 VanDerWaalsContact O-CB 3.29Å; Y209-Y212 WeakPolarHBondContact O-CB 3.2Å; Y209-Y212 PolarHBondContact O-N 3.46Å; Y212-W214 VanDerWaalsContact O-CD1 3.32Å; Y212-W214 PolarHBondContact O-N 2.97Å; Y212-P237 HydrophobicContact CD2-CG 3.76Å; Y212-P237 HydrophobicContact CG-CG 4.46Å |
| 213 | G | 75 | Confident | 88 | Confident | 29 Ų | 29 | 35.2 Ų | 35.2 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -50.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F211 | F211-G213 PolarHBondContact O-N 3.4Š|
| 214 | W | 78.5 | Confident | 88.4 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -96.5 | -8.3 | -171.2 | 59.5 | -81.9 | 0 | 0 | 0 | 114.8 | L186 L192 L195 F211 Y212 K216 H217 L218 | L186-W214 HydrophobicContact CB-CH2 4.35Å; L186-W214 HydrophobicContact CB-CZ2 3.76Å; L186-W214 HydrophobicContact CD1-CH2 4.48Å; L186-W214 HydrophobicContact CD1-CZ2 4.38Å; L192-W214 HydrophobicContact CB-CE3 4.03Å; L192-W214 HydrophobicContact CB-CZ3 4.25Å; L192-W214 HydrophobicContact CD2-CE3 4.27Å; L192-W214 HydrophobicContact CD2-CH2 4.24Å; L192-W214 HydrophobicContact CD2-CZ3 3.69Å; L192-W214 HydrophobicContact CG-CZ3 4.39Å; L195-W214 HydrophobicContact CD2-CH2 3.95Å; F211-W214 AromaticContact CD1-CH2 3.5Å; F211-W214 HydrophobicContact CD1-CH2 3.5Å; F211-W214 AromaticContact CD1-CZ2 3.47Å; F211-W214 HydrophobicContact CD1-CZ2 3.47Å; F211-W214 VanDerWaalsContact CD1-CZ2 3.47Å; F211-W214 HydrophobicContact CD1-CZ3 4.27Å; F211-W214 AromaticContact CE1-CH2 3.8Å; F211-W214 HydrophobicContact CE1-CH2 3.8Å; F211-W214 HydrophobicContact CE1-CZ2 4.02Å; F211-W214 HydrophobicContact CG-CZ2 4.47Å; Y212-W214 VanDerWaalsContact O-CD1 3.32Å; Y212-W214 PolarHBondContact O-N 2.97Å; W214-K216 PolarHBondContact O-N 3.15Å; W214-H217 PolarHBondContact O-N 3.41Å; W214-L218 HydrophobicContact CE3-CB 4.31Å; W214-L218 HydrophobicContact CE3-CD2 4.34Å; W214-L218 HydrophobicContact CH2-CD2 4.29Å; W214-L218 HydrophobicContact CZ3-CB 4.38Å; W214-L218 HydrophobicContact CZ3-CD1 3.96Å; W214-L218 HydrophobicContact CZ3-CD2 3.75Å; W214-L218 HydrophobicContact CZ3-CG 4.24Å; W214-L218 PolarHBondContact O-N 3.28Å |
| 215 | I | 79.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -56.4 | -15.9 | 167.2 | -162.1 | 177.8 | 0 | 0 | 0 | 113.9 | F211 H217 F236 N240 N243 K244 L271 | F211-I215 HydrophobicContact CB-CB 4.33Å; F211-I215 WeakPolarHBondContact O-CB 3.37Å; F211-I215 PolarHBondContact O-N 3.11Å; I215-H217 PolarHBondContact O-N 2.65Å; I215-F236 HydrophobicContact CD1-CB 4.19Å; I215-F236 HydrophobicContact CD1-CD1 3.75Å; I215-F236 HydrophobicContact CD1-CG 4.46Å; I215-N240 HydrophobicContact CG2-CB 3.71Å; I215-N243 WeakPolarHBondContact CD1-ND2 3.48Å; I215-N243 WeakPolarHBondContact CG1-OD1 3.15Å; I215-K244 PolarHBondContact O-N 3.28Å; I215-L271 HydrophobicContact CD1-CD2 4.31Å |
| 216 | K | 83.1 | Confident | 89 | Confident | 64 Ų | 64 | 29.3 Ų | 29.3 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -65.9 | -17.2 | 169.6 | -63.1 | -170.1 | 176.9 | -157.6 | 0 | 113.7 | W214 N240 E242 K244 | W214-K216 PolarHBondContact O-N 3.15Å; K216-N240 WeakPolarHBondContact CE-OD1 3.3Å; K216-N240 HydrophobicContact CG-CB 4.13Å; K216-N240 WeakPolarHBondContact CG-OD1 3.04Å; K216-E242 HydrophobicContact CD-CB 4.45Å; K216-E242 WeakPolarHBondContact CD-OE2 3.44Å; K216-E242 VanDerWaalsContact CE-OE2 3.26Å; K216-E242 WeakPolarHBondContact CE-OE2 3.48Å; K216-E242 HydrophobicContact CG-CB 4.28Å; K216-E242 IonicContact NZ-OE2 2.63Å; K216-E242 PolarHBondContact NZ-OE2 2.78Å; K216-K244 VanDerWaalsContact O-CD 3.29Å; K216-K244 WeakPolarHBondContact O-CD 3.45Å; K216-K244 VanDerWaalsContact O-CG 3.31Å; K216-K244 WeakPolarHBondContact O-CG 3.43Å; K216-K244 PolarHBondContact O-NZ 2.83Å |
| 217 | H | 87.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 31 Ų | 31 | 31% | 0.31 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -33.5 | -177.3 | -62.3 | -102.2 | 0 | 0 | 0 | 111.6 | H190 L192 W214 I215 K219 | H190-H217 PolarHBondContact O-CD2 3.46Å; L192-H217 CarbonylContact O-C 3.52Å; W214-H217 PolarHBondContact O-N 3.41Å; I215-H217 PolarHBondContact O-N 2.65Å; H217-K219 PolarHBondContact O-N 2.59Å |
| 218 | L | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -59.3 | 124.4 | 178.7 | -170.2 | 62.4 | 0 | 0 | 0 | 112.3 | L192 L195 F211 W214 I220 L221 K244 L245 | L192-L218 VanDerWaalsContact O-CA 3.24Å; L192-L218 WeakPolarHBondContact O-CA 3.31Å; L192-L218 PolarHBondContact O-N 2.94Å; L192-L218 VanDerWaalsContact O-N 3.09Å; L195-L218 HydrophobicContact CB-CD1 4.29Å; F211-L218 HydrophobicContact CD1-CD2 4.03Å; F211-L218 HydrophobicContact CE1-CD2 4.38Å; W214-L218 HydrophobicContact CE3-CB 4.31Å; W214-L218 HydrophobicContact CE3-CD2 4.34Å; W214-L218 HydrophobicContact CH2-CD2 4.29Å; W214-L218 HydrophobicContact CZ3-CB 4.38Å; W214-L218 HydrophobicContact CZ3-CD1 3.96Å; W214-L218 HydrophobicContact CZ3-CD2 3.75Å; W214-L218 HydrophobicContact CZ3-CG 4.24Å; W214-L218 PolarHBondContact O-N 3.28Å; L218-I220 VanDerWaalsContact CD1-O 3.25Å; L218-I220 WeakPolarHBondContact CD1-O 3.42Å; L218-L221 HydrophobicContact CD2-CB 4.43Å; L218-K244 CarbonylContact O-C 3.42Å; L218-L245 HydrophobicContact CD2-CD1 4.22Å; L218-L245 HydrophobicContact CG-CD1 4.02Å; L218-L245 WeakPolarHBondContact O-CA 3.21Å; L218-L245 PolarHBondContact O-N 3.47Å | ||
| 219 | K | 93.6 | Very high | 88.9 | Confident | 25 Ų | 25 | 26.6 Ų | 26.6 | 11% | 0.109 | 13% | 0.128 | C | C | . | . | trans | -114.9 | -36.8 | -178.1 | -71.6 | 145.3 | 146.6 | -78.2 | 0 | 112.7 | K193 H217 K244 L246 K247 T653 D654 | K193-K219 HydrophobicContact CB-CD 4.08Å; K193-K219 HydrophobicContact CG-CD 4.24Å; K193-K219 PolarHBondContact O-N 3.02Å; H217-K219 PolarHBondContact O-N 2.59Å; K219-K244 WeakPolarHBondContact CA-O 3.31Å; K219-K244 HydrophobicContact CG-CB 4.3Å; K219-L246 HydrophobicContact CG-CD1 4.42Å; K219-L246 PolarHBondContact O-N 2.76Å; K219-K247 PolarHBondContact O-N 3.14Å; K219-T653 PolarHBondContact NZ-O 2.77Å; K219-T653 PolarHBondContact NZ-OG1 3.2Å; K219-D654 WeakPolarHBondContact CB-OD1 3.35Å; K219-D654 WeakPolarHBondContact CG-OD1 3.49Å; K219-D654 IonicContact NZ-OD1 3.07Å; K219-D654 PolarHBondContact NZ-OD1 3.06Å; K219-D654 IonicContact NZ-OD2 2.93Å; K219-D654 PolarHBondContact NZ-OD2 3.42Å | ||
| 220 | I | 95.4 | Very high | 89.1 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.041 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.8 | -178.3 | -55.4 | 177.9 | 0 | 0 | 0 | 108.5 | K193 S194 L195 L218 K247 | K193-I220 PolarHBondContact O-N 3.15Å; S194-I220 WeakPolarHBondContact CA-O 3.29Å; L195-I220 PolarHBondContact N-O 3.29Å; L195-I220 VanDerWaalsContact N-O 3.15Å; L218-I220 VanDerWaalsContact CD1-O 3.25Å; L218-I220 WeakPolarHBondContact CD1-O 3.42Å; I220-K247 HydrophobicContact CG1-CB 4.32Å; I220-K247 HydrophobicContact CG1-CD 4.34Å; I220-K247 HydrophobicContact CG2-CB 4.42Å |
| 221 | L | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 112.6 | 169.1 | 177.4 | 58.3 | 0 | 0 | 0 | 109 | L195 F211 L218 M223 F236 L245 K247 L248 R249 | L195-L221 HydrophobicContact CB-CD1 4.08Å; L195-L221 HydrophobicContact CD2-CD1 3.99Å; L195-L221 HydrophobicContact CG-CD1 4.18Å; F211-L221 HydrophobicContact CE1-CD1 4.22Å; F211-L221 HydrophobicContact CE1-CD2 3.95Å; F211-L221 HydrophobicContact CE2-CD2 4.02Å; F211-L221 HydrophobicContact CZ-CD1 4.26Å; F211-L221 HydrophobicContact CZ-CD2 3.51Å; L218-L221 HydrophobicContact CD2-CB 4.43Å; L221-M223 HydrophobicContact CD1-CG 4.25Å; L221-M223 HydrophobicContact CD1-SD 4.46Å; L221-M223 HydrophobicContact CD2-CE 4.17Å; L221-M223 HydrophobicContact CG-CE 4.27Å; L221-M223 HydrophobicContact CG-CG 4.47Å; L221-F236 HydrophobicContact CD2-CE1 4.18Å; L221-F236 HydrophobicContact CD2-CZ 4.11Å; L221-L245 HydrophobicContact CB-CD1 3.81Å; L221-K247 PolarHBondContact N-O 3.31Å; L221-L248 HydrophobicContact CB-CD1 4.06Å; L221-L248 HydrophobicContact CD2-CD1 3.83Å; L221-L248 HydrophobicContact CG-CD1 3.99Å; L221-R249 PolarHBondContact O-N 3.25Å |
| 222 | T | 96.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.1 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | L195 H196 L197 I224 R249 | L195-T222 PolarHBondContact O-N 3.2Å; H196-T222 WeakPolarHBondContact ND1-CB 3.36Å; H196-T222 WeakPolarHBondContact ND1-CG2 3.42Å; L197-T222 PolarHBondContact N-O 2.87Å; T222-I224 HydrophobicContact CG2-CD1 3.95Å; T222-I224 HydrophobicContact CG2-CG1 3.81Å; T222-R249 HydrophobicContact CG2-CB 4.06Å |
| 223 | M | 95.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 107.1 | 180 | -66.5 | -177.3 | -65.8 | 0 | 0 | 109.6 | L197 M202 I206 L221 N226 L228 L248 R249 I250 E251 Q253 | L197-M223 WeakPolarHBondContact O-CA 3.42Å; M202-M223 HydrophobicContact CE-CB 4.43Å; M202-M223 HydrophobicContact CE-CG 4.07Å; M202-M223 HydrophobicContact CE-SD 3.86Å; I206-M223 HydrophobicContact CD1-CE 3.88Å; I206-M223 HydrophobicContact CD1-SD 3.83Å; L221-M223 HydrophobicContact CD1-CG 4.25Å; L221-M223 HydrophobicContact CD1-SD 4.46Å; L221-M223 HydrophobicContact CD2-CE 4.17Å; L221-M223 HydrophobicContact CG-CE 4.27Å; L221-M223 HydrophobicContact CG-CG 4.47Å; M223-N226 WeakPolarHBondContact CA-ND2 3.49Å; M223-L228 HydrophobicContact CE-CD2 3.82Å; M223-L228 HydrophobicContact SD-CD2 4.05Å; M223-L248 HydrophobicContact CE-CD1 4.31Å; M223-R249 PolarHBondContact N-O 2.6Å; M223-I250 HydrophobicContact CE-CD1 3.93Å; M223-I250 HydrophobicContact CE-CG1 3.82Å; M223-I250 HydrophobicContact CE-CG2 4.49Å; M223-E251 PolarHBondContact O-N 2.77Å; M223-Q253 PolarHBondContact O-NE2 3.3Å |
| 224 | I | 94.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.4 | -175.6 | -51.8 | -172.9 | 0 | 0 | 0 | 110.7 | L197 E198 N199 T222 N226 E251 Q252 | L197-I224 PolarHBondContact O-N 2.81Å; E198-I224 WeakPolarHBondContact CA-O 3.29Å; E198-I224 HydrophobicContact CB-CB 4.34Å; E198-I224 HydrophobicContact CG-CB 3.98Å; E198-I224 HydrophobicContact CG-CG2 4.33Å; N199-I224 PolarHBondContact N-O 2.97Å; T222-I224 HydrophobicContact CG2-CD1 3.95Å; T222-I224 HydrophobicContact CG2-CG1 3.81Å; I224-N226 PolarHBondContact N-ND2 3.27Å; I224-N226 PolarHBondContact O-N 2.95Å; I224-N226 PolarHBondContact O-ND2 2.96Å; I224-N226 PolarHBondContact O-OD1 3.44Å; I224-E251 WeakPolarHBondContact CA-O 3.5Å; I224-E251 HydrophobicContact CG1-CB 4.38Å; I224-Q252 HydrophobicContact CG2-CB 4.21Å; I224-Q252 HydrophobicContact CG2-CG 4.15Å |
| 225 | N | 93.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 31.7 Ų | 31.7 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 50.4 | 50.8 | 172.7 | -172.2 | 40 | 0 | 0 | 0 | 113.7 | F171 L175 N199 E251 Q252 | F171-N225 WeakPolarHBondContact CD2-ND2 3.35Å; F171-N225 WeakPolarHBondContact CE2-ND2 3.29Å; L175-N225 VanDerWaalsContact CD1-O 3.27Å; L175-N225 WeakPolarHBondContact CD1-O 3.29Å; N199-N225 PolarHBondContact OD1-ND2 3.23Å; N225-E251 PolarHBondContact N-O 3.17Å; N225-Q252 HydrophobicContact CB-CB 4.3Å |
| 226 | N | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -111.7 | 11 | -172.9 | -68.9 | -41.2 | 0 | 0 | 0 | 113.5 | L197 N199 I200 M202 M223 I224 L228 | L197-N226 PolarHBondContact O-ND2 2.81Å; N199-N226 PolarHBondContact N-OD1 2.93Å; I200-N226 PolarHBondContact N-OD1 3.07Å; I200-N226 CarbonylContact O-C 2.92Å; I200-N226 WeakPolarHBondContact O-CA 3.15Å; I200-N226 WeakPolarHBondContact O-CB 3.3Å; I200-N226 PolarHBondContact O-OD1 2.85Å; I200-N226 VanDerWaalsContact O-OD1 3.13Å; M202-N226 WeakPolarHBondContact CA-O 3.42Å; M202-N226 HydrophobicContact CB-CB 4.37Å; M202-N226 HydrophobicContact CE-CB 3.6Å; M202-N226 VanDerWaalsContact CE-ND2 3.33Å; M202-N226 WeakPolarHBondContact CE-ND2 3.41Å; M202-N226 HydrophobicContact CG-CB 4.45Å; M202-N226 PolarHBondContact N-O 2.87Å; M223-N226 WeakPolarHBondContact CA-ND2 3.49Å; I224-N226 PolarHBondContact N-ND2 3.27Å; I224-N226 PolarHBondContact O-N 2.95Å; I224-N226 PolarHBondContact O-ND2 2.96Å; I224-N226 PolarHBondContact O-OD1 3.44Å; N226-L228 PolarHBondContact O-N 3.15Å |
| 227 | N | 90.2 | Very high | 91.6 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.214 | 14% | 0.136 | C | C | . | . | trans | 51.2 | 25.1 | -172 | -64.8 | -23.3 | 0 | 0 | 0 | 114.7 | S203 N229 Q253 S254 | S203-N227 WeakPolarHBondContact CA-O 3.34Å; N227-N229 PolarHBondContact O-N 3.18Å; N227-Q253 VanDerWaalsContact N-OE1 3.1Å; N227-S254 PolarHBondContact OD1-OG 3.39Å | ||
| 228 | L | 91.3 | Very high | 91 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -71 | 116.1 | -175.9 | -173.2 | 71.2 | 0 | 0 | 0 | 110.1 | M202 I206 M223 N226 R230 I231 I250 Q253 L260 | M202-L228 HydrophobicContact CB-CD1 4.05Å; I206-L228 HydrophobicContact CD1-CD1 4.45Å; I206-L228 HydrophobicContact CD1-CD2 4.01Å; I206-L228 HydrophobicContact CG1-CD1 3.89Å; I206-L228 HydrophobicContact CG1-CD2 4.36Å; M223-L228 HydrophobicContact CE-CD2 3.82Å; M223-L228 HydrophobicContact SD-CD2 4.05Å; N226-L228 PolarHBondContact O-N 3.15Å; L228-R230 WeakPolarHBondContact CD1-O 3.37Å; L228-I231 HydrophobicContact CD2-CD1 4.27Å; L228-I231 HydrophobicContact CD2-CG1 4.23Å; L228-I250 HydrophobicContact CD2-CG2 4Å; L228-Q253 HydrophobicContact CB-CG 4.33Å; L228-L260 HydrophobicContact CD2-CD2 4.26Å; L228-L260 HydrophobicContact CG-CD2 4.02Å | ||
| 229 | N | 89.6 | Confident | 89.7 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | trans | -121.7 | -5.7 | -177.7 | 62.1 | 43.2 | 0 | 0 | 0 | 113.7 | N227 K259 | N227-N229 PolarHBondContact O-N 3.18Å; N229-K259 VanDerWaalsContact O-CB 3.25Å; N229-K259 WeakPolarHBondContact O-CB 3.45Å | ||
| 230 | R | 90.9 | Very high | 88.1 | Confident | 161 Ų | 161 | 32.9 Ų | 32.9 | 61% | 0.608 | 16% | 0.163 | S | C | * | . | trans | -150.6 | 140.8 | -177 | -171.2 | 178.4 | -176.3 | -164.4 | 0.5 | 111.2 | G205 I206 L228 | G205-R230 CarbonylContact C-O 3.34Å; G205-R230 WeakPolarHBondContact CA-O 3.16Å; I206-R230 PolarHBondContact N-O 2.94Å; I206-R230 VanDerWaalsContact N-O 3.11Å; L228-R230 WeakPolarHBondContact CD1-O 3.37Å | ||
| 231 | I | 93 | Very high | 86.4 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -125 | 135.9 | 170 | -59.7 | -178.4 | 0 | 0 | 0 | 106.7 | I206 L228 A235 F236 I250 L260 W267 | I206-I231 HydrophobicContact CB-CG2 4.28Å; I206-I231 HydrophobicContact CD1-CD1 4.18Å; I206-I231 HydrophobicContact CD1-CG1 4.07Å; I206-I231 HydrophobicContact CG1-CG1 4.48Å; L228-I231 HydrophobicContact CD2-CD1 4.27Å; L228-I231 HydrophobicContact CD2-CG1 4.23Å; I231-A235 HydrophobicContact CG2-CB 3.62Å; I231-F236 HydrophobicContact CG2-CE2 4.14Å; I231-I250 HydrophobicContact CD1-CD1 3.91Å; I231-L260 HydrophobicContact CD1-CD2 4.33Å; I231-L260 HydrophobicContact CG1-CD2 4.11Å; I231-W267 HydrophobicContact CB-CD2 4.12Å; I231-W267 HydrophobicContact CB-CG 3.95Å; I231-W267 HydrophobicContact CD1-CD2 4.1Å; I231-W267 HydrophobicContact CD1-CE3 4.26Å; I231-W267 HydrophobicContact CD1-CH2 4.1Å; I231-W267 HydrophobicContact CD1-CZ2 3.87Å; I231-W267 HydrophobicContact CD1-CZ3 4.26Å; I231-W267 HydrophobicContact CG2-CB 3.89Å; I231-W267 HydrophobicContact CG2-CD2 3.87Å; I231-W267 HydrophobicContact CG2-CE3 4.25Å; I231-W267 HydrophobicContact CG2-CG 3.71Å |
| 232 | H | 92.7 | Very high | 85.2 | Confident | 55 Ų | 55 | 45 Ų | 45 | 26% | 0.255 | 22% | 0.224 | S | C | . | . | trans | -67.8 | 144.1 | 176.9 | -165.2 | -103.3 | 0 | 0 | 0 | 111.3 | I206 Q208 E234 A235 W267 | I206-H232 WeakPolarHBondContact O-CB 3.23Å; I206-H232 PolarHBondContact O-N 3.32Å; Q208-H232 WeakPolarHBondContact CB-ND1 3.47Å; H232-E234 PolarHBondContact ND1-N 3.36Å; H232-E234 PolarHBondContact O-N 3.44Å; H232-A235 HydrophobicContact CB-CB 4.39Å; H232-A235 VanDerWaalsContact O-CB 3.26Å; H232-A235 WeakPolarHBondContact O-CB 3.3Å; H232-A235 PolarHBondContact O-N 3.49Å; H232-W267 WeakPolarHBondContact O-CB 3.36Å | ||
| 233 | N | 91.6 | Very high | 84.4 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.4 | -179.8 | -71.2 | 8.1 | 0 | 0 | 0 | 113.2 | I266 | N233-I266 HydrophobicContact CB-CB 4.39Å; N233-I266 HydrophobicContact CB-CG2 3.69Å |
| 234 | E | 89.4 | Confident | 84.1 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 30.3 | 177.9 | -67.9 | 166.4 | -137.6 | 0 | 0 | 112.4 | Q208 Y209 H232 | Q208-E234 HydrophobicContact CG-CB 4.06Å; Q208-E234 PolarHBondContact NE2-OE2 3.33Å; Y209-E234 HydrophobicContact CD1-CB 4.37Å; Y209-E234 HydrophobicContact CE1-CB 3.93Å; Y209-E234 WeakPolarHBondContact CE1-OE2 3.41Å; Y209-E234 VanDerWaalsContact CZ-OE2 3.24Å; Y209-E234 PolarHBondContact N-O 3.13Å; Y209-E234 PolarHBondContact OH-OE2 2.86Å; H232-E234 PolarHBondContact ND1-N 3.36Å; H232-E234 PolarHBondContact O-N 3.44Å |
| 235 | A | 89.6 | Confident | 84 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -64 | -34.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I206 I231 H232 P237 | I206-A235 HydrophobicContact CG2-CB 3.72Å; I231-A235 HydrophobicContact CG2-CB 3.62Å; H232-A235 HydrophobicContact CB-CB 4.39Å; H232-A235 VanDerWaalsContact O-CB 3.26Å; H232-A235 WeakPolarHBondContact O-CB 3.3Å; H232-A235 PolarHBondContact O-N 3.49Å; A235-P237 WeakPolarHBondContact O-CD 3.05Å |
| 236 | F | 88.5 | Confident | 84 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -117.4 | 82.1 | 177.2 | -54 | -78.6 | 0 | 0 | 0 | 109.5 | F211 I215 L221 I231 L245 W267 L271 | F211-F236 HydrophobicContact CB-CD1 4.32Å; F211-F236 AromaticContact CD2-CD1 3.61Å; F211-F236 HydrophobicContact CD2-CD1 3.61Å; F211-F236 AromaticContact CD2-CE1 3.24Å; F211-F236 HydrophobicContact CD2-CE1 3.24Å; F211-F236 HydrophobicContact CD2-CG 4.48Å; F211-F236 AromaticContact CD2-CZ 3.85Å; F211-F236 HydrophobicContact CD2-CZ 3.85Å; F211-F236 HydrophobicContact CE2-CD1 4.3Å; F211-F236 AromaticContact CE2-CE1 3.5Å; F211-F236 HydrophobicContact CE2-CE1 3.5Å; F211-F236 VanDerWaalsContact CE2-CE1 3.5Å; F211-F236 AromaticContact CE2-CZ 3.67Å; F211-F236 HydrophobicContact CE2-CZ 3.67Å; F211-F236 HydrophobicContact CG-CD1 4.2Å; F211-F236 AromaticContact CG-CE1 3.96Å; F211-F236 HydrophobicContact CG-CE1 3.96Å; F211-F236 HydrophobicContact CZ-CE1 4.4Å; I215-F236 HydrophobicContact CD1-CB 4.19Å; I215-F236 HydrophobicContact CD1-CD1 3.75Å; I215-F236 HydrophobicContact CD1-CG 4.46Å; L221-F236 HydrophobicContact CD2-CE1 4.18Å; L221-F236 HydrophobicContact CD2-CZ 4.11Å; I231-F236 HydrophobicContact CG2-CE2 4.14Å; F236-L245 HydrophobicContact CE1-CD2 4.4Å; F236-W267 AromaticContact CD2-CE3 3.89Å; F236-W267 HydrophobicContact CD2-CE3 3.89Å; F236-W267 WeakPolarHBondContact CD2-O 3.31Å; F236-W267 AromaticContact CE2-CE3 3.65Å; F236-W267 HydrophobicContact CE2-CE3 3.65Å; F236-W267 HydrophobicContact CE2-CZ3 4.04Å; F236-L271 HydrophobicContact CB-CD2 3.88Å; F236-L271 HydrophobicContact CD1-CD2 3.81Å; F236-L271 HydrophobicContact CD2-CD1 4.47Å; F236-L271 HydrophobicContact CD2-CD2 4.37Å; F236-L271 HydrophobicContact CE1-CD2 4.4Å; F236-L271 HydrophobicContact CG-CD2 3.78Å |
| 237 | P | 79.7 | Confident | 84.2 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | trans | -72.4 | 155.1 | -170.3 | 26.5 | -33.3 | 0 | 0 | 0 | 114.1 | Y209 Y212 A235 D239 | Y209-P237 HydrophobicContact CD1-CB 4.05Å; Y209-P237 HydrophobicContact CD1-CG 4.12Å; Y209-P237 HydrophobicContact CE1-CB 4.28Å; Y212-P237 HydrophobicContact CD2-CG 3.76Å; Y212-P237 HydrophobicContact CG-CG 4.46Å; A235-P237 WeakPolarHBondContact O-CD 3.05Å; P237-D239 VanDerWaalsContact C-N 3.3Å; P237-D239 PolarHBondContact O-N 2.96Å | ||
| 238 | S | 75.3 | Confident | 84.6 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.3 | -172.1 | 38.9 | 0 | 0 | 0 | 0 | 116 | N240 | S238-N240 PolarHBondContact O-N 3.11Š|
| 239 | D | 63.6 | Low | 84.9 | Confident | 109 Ų | 109 | 51 Ų | 51 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -3.2 | -155 | -42.4 | -34.2 | 0 | 0 | 0 | 112.4 | P237 | P237-D239 VanDerWaalsContact C-N 3.3Å; P237-D239 PolarHBondContact O-N 2.96Å |
| 240 | N | 60.1 | Low | 85.2 | Confident | 15 Ų | 15 | 48.6 Ų | 48.6 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | trans | -102.4 | 77.5 | 172.9 | -60.4 | -69.8 | 0 | 0 | 0 | 109.9 | I215 K216 S238 E242 N243 | I215-N240 HydrophobicContact CG2-CB 3.71Å; K216-N240 WeakPolarHBondContact CE-OD1 3.3Å; K216-N240 HydrophobicContact CG-CB 4.13Å; K216-N240 WeakPolarHBondContact CG-OD1 3.04Å; S238-N240 PolarHBondContact O-N 3.11Å; N240-E242 PolarHBondContact O-N 3.42Å; N240-N243 PolarHBondContact O-N 3.27Å; N240-N243 VanDerWaalsContact O-N 3.09Å | ||
| 241 | L | 60.2 | Low | 85.4 | Confident | 154 Ų | 154 | 42.2 Ų | 42.2 | 81% | 0.806 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -16.2 | 166.8 | -75.9 | 167.3 | 0 | 0 | 0 | 113.2 | ||
| 242 | E | 71.6 | Confident | 85.5 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 51% | 0.514 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 22.1 | -180 | -55.5 | 175.5 | 110.3 | 0 | 0 | 113.3 | K216 N240 K244 | K216-E242 HydrophobicContact CD-CB 4.45Å; K216-E242 WeakPolarHBondContact CD-OE2 3.44Å; K216-E242 VanDerWaalsContact CE-OE2 3.26Å; K216-E242 WeakPolarHBondContact CE-OE2 3.48Å; K216-E242 HydrophobicContact CG-CB 4.28Å; K216-E242 IonicContact NZ-OE2 2.63Å; K216-E242 PolarHBondContact NZ-OE2 2.78Å; N240-E242 PolarHBondContact O-N 3.42Å; E242-K244 WeakPolarHBondContact O-CG 3.43Å; E242-K244 PolarHBondContact O-N 3.39Å |
| 243 | N | 80.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | trans | -53.7 | 125 | 175.8 | -176 | -9.4 | 0 | 0 | 0 | 111.5 | I215 N240 L245 Y270 L271 T273 | I215-N243 WeakPolarHBondContact CD1-ND2 3.48Å; I215-N243 WeakPolarHBondContact CG1-OD1 3.15Å; N240-N243 PolarHBondContact O-N 3.27Å; N240-N243 VanDerWaalsContact O-N 3.09Å; N243-L245 WeakPolarHBondContact OD1-CB 3.49Å; N243-L245 PolarHBondContact OD1-N 3.46Å; N243-Y270 PolarHBondContact ND2-O 3.34Å; N243-L271 WeakPolarHBondContact ND2-CD2 3.25Å; N243-T273 WeakPolarHBondContact O-CG2 3.49Å; N243-T273 PolarHBondContact O-OG1 2.98Å | ||
| 244 | K | 88.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 44 Ų | 44 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | trans | -108.2 | 8 | -178.5 | -61.2 | -164.4 | -176.8 | 86.4 | 0 | 114.3 | I215 K216 L218 K219 E242 L246 | I215-K244 PolarHBondContact O-N 3.28Å; K216-K244 VanDerWaalsContact O-CD 3.29Å; K216-K244 WeakPolarHBondContact O-CD 3.45Å; K216-K244 VanDerWaalsContact O-CG 3.31Å; K216-K244 WeakPolarHBondContact O-CG 3.43Å; K216-K244 PolarHBondContact O-NZ 2.83Å; L218-K244 CarbonylContact O-C 3.42Å; K219-K244 WeakPolarHBondContact CA-O 3.31Å; K219-K244 HydrophobicContact CG-CB 4.3Å; E242-K244 WeakPolarHBondContact O-CG 3.43Å; E242-K244 PolarHBondContact O-N 3.39Å; K244-L246 VanDerWaalsContact O-CD1 3.27Å; K244-L246 WeakPolarHBondContact O-CD1 3.4Å; K244-L246 WeakPolarHBondContact O-CG 3.49Å; K244-L246 PolarHBondContact O-N 3.27Å | ||
| 245 | L | 92.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -67.2 | 108.1 | -177 | -171 | 74.6 | 0 | 0 | 0 | 110.9 | L218 L221 F236 N243 L248 L271 T273 L274 | L218-L245 HydrophobicContact CD2-CD1 4.22Å; L218-L245 HydrophobicContact CG-CD1 4.02Å; L218-L245 WeakPolarHBondContact O-CA 3.21Å; L218-L245 PolarHBondContact O-N 3.47Å; L221-L245 HydrophobicContact CB-CD1 3.81Å; F236-L245 HydrophobicContact CE1-CD2 4.4Å; N243-L245 WeakPolarHBondContact OD1-CB 3.49Å; N243-L245 PolarHBondContact OD1-N 3.46Å; L245-L248 HydrophobicContact CD2-CB 4.43Å; L245-L271 HydrophobicContact CD2-CD1 4.16Å; L245-L271 HydrophobicContact CD2-CD2 3.86Å; L245-T273 PolarHBondContact N-OG1 2.84Å; L245-T273 CarbonylContact O-C 3.09Å; L245-T273 VanDerWaalsContact O-C 3.31Å; L245-T273 PolarHBondContact O-OG1 3.49Å; L245-L274 HydrophobicContact CD2-CD1 4.49Å; L245-L274 HydrophobicContact CG-CD1 4.43Å; L245-L274 VanDerWaalsContact O-CA 3.28Å; L245-L274 WeakPolarHBondContact O-CA 3.15Å; L245-L274 PolarHBondContact O-N 3.38Å | ||
| 246 | L | 94.5 | Very high | 84.2 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | trans | -103.1 | -24.5 | -176.1 | -73.8 | 141.3 | 0 | 0 | 0 | 112.2 | K219 K244 T273 K275 L276 D654 | K219-L246 HydrophobicContact CG-CD1 4.42Å; K219-L246 PolarHBondContact O-N 2.76Å; K244-L246 VanDerWaalsContact O-CD1 3.27Å; K244-L246 WeakPolarHBondContact O-CD1 3.4Å; K244-L246 WeakPolarHBondContact O-CG 3.49Å; K244-L246 PolarHBondContact O-N 3.27Å; L246-T273 VanDerWaalsContact CD2-O 3.29Å; L246-T273 WeakPolarHBondContact CD2-O 3.14Å; L246-K275 HydrophobicContact CD2-CD 3.62Å; L246-K275 HydrophobicContact CD2-CG 4.12Å; L246-K275 PolarHBondContact O-N 3.05Å; L246-L276 PolarHBondContact O-N 3.01Å; L246-L276 VanDerWaalsContact O-N 3.1Å; L246-D654 HydrophobicContact CD1-CB 4.44Å; L246-D654 VanDerWaalsContact CD1-CG 3.49Å; L246-D654 WeakPolarHBondContact CD1-OD1 3.41Å | ||
| 247 | K | 96.5 | Very high | 84.1 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 15% | 0.148 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127.2 | -179 | -57.9 | -174 | 165.2 | 159.3 | 0 | 111.5 | K219 I220 L221 L276 D654 N655 | K219-K247 PolarHBondContact O-N 3.14Å; I220-K247 HydrophobicContact CG1-CB 4.32Å; I220-K247 HydrophobicContact CG1-CD 4.34Å; I220-K247 HydrophobicContact CG2-CB 4.42Å; L221-K247 PolarHBondContact N-O 3.31Å; K247-L276 HydrophobicContact CB-CB 4.41Å; K247-L276 HydrophobicContact CD-CD1 4.2Å; K247-L276 HydrophobicContact CG-CB 4.04Å; K247-L276 HydrophobicContact CG-CD1 4.35Å; K247-D654 WeakPolarHBondContact CE-O 3.2Å; K247-D654 PolarHBondContact NZ-O 3.4Å; K247-N655 VanDerWaalsContact NZ-CG 3.33Å; K247-N655 PolarHBondContact NZ-OD1 2.85Å |
| 248 | L | 96.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 109.4 | 176.4 | 179 | 59.3 | 0 | 0 | 0 | 109.8 | L221 M223 L245 I250 W267 L271 L274 L276 F277 S278 | L221-L248 HydrophobicContact CB-CD1 4.06Å; L221-L248 HydrophobicContact CD2-CD1 3.83Å; L221-L248 HydrophobicContact CG-CD1 3.99Å; M223-L248 HydrophobicContact CE-CD1 4.31Å; L245-L248 HydrophobicContact CD2-CB 4.43Å; L248-I250 HydrophobicContact CD1-CD1 4.04Å; L248-I250 HydrophobicContact CD1-CG1 3.93Å; L248-I250 HydrophobicContact CD2-CD1 4.14Å; L248-I250 HydrophobicContact CG-CD1 4.03Å; L248-I250 HydrophobicContact CG-CG1 3.98Å; L248-W267 HydrophobicContact CD2-CH2 4.03Å; L248-W267 HydrophobicContact CD2-CZ3 3.79Å; L248-L271 HydrophobicContact CD2-CD1 4.04Å; L248-L274 HydrophobicContact CB-CD1 3.6Å; L248-L274 HydrophobicContact CB-CD2 4.39Å; L248-L274 HydrophobicContact CD2-CD2 4.49Å; L248-L276 PolarHBondContact N-O 3.24Å; L248-F277 HydrophobicContact CB-CD2 4.23Å; L248-F277 HydrophobicContact CD2-CD2 4.05Å; L248-F277 HydrophobicContact CD2-CE2 3.97Å; L248-F277 HydrophobicContact CG-CD2 4.1Å; L248-F277 HydrophobicContact CG-CE2 4.2Å; L248-F277 WeakPolarHBondContact O-CA 3.44Å; L248-S278 PolarHBondContact O-N 3.36Å |
| 249 | R | 97.7 | Very high | 85.2 | Confident | 50 Ų | 50 | 47.8 Ų | 47.8 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.1 | 176.6 | -67.4 | -180 | 175.7 | 157.2 | -8.8 | 109.9 | L221 T222 M223 E251 L276 D658 | L221-R249 PolarHBondContact O-N 3.25Å; T222-R249 HydrophobicContact CG2-CB 4.06Å; M223-R249 PolarHBondContact N-O 2.6Å; R249-E251 HydrophobicContact CB-CG 4.14Å; R249-E251 WeakPolarHBondContact CB-OE1 3.37Å; R249-E251 WeakPolarHBondContact CD-OE1 3.47Å; R249-E251 VanDerWaalsContact CG-OE1 3.31Å; R249-E251 WeakPolarHBondContact CG-OE1 3.24Å; R249-E251 IonicContact NE-OE1 2.81Å; R249-L276 HydrophobicContact CG-CD2 4.37Å; R249-D658 IonicContact CZ-OD2 3.17Å; R249-D658 IonicContact NH1-OD2 2.78Å; R249-D658 PolarHBondContact NH1-OD2 3.33Å |
| 250 | I | 96.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 73.6 | 178.2 | -45.8 | -172.9 | 0 | 0 | 0 | 108.4 | M223 L228 I231 L248 Q253 L260 W267 F277 S278 L279 T282 | M223-I250 HydrophobicContact CE-CD1 3.93Å; M223-I250 HydrophobicContact CE-CG1 3.82Å; M223-I250 HydrophobicContact CE-CG2 4.49Å; L228-I250 HydrophobicContact CD2-CG2 4Å; I231-I250 HydrophobicContact CD1-CD1 3.91Å; L248-I250 HydrophobicContact CD1-CD1 4.04Å; L248-I250 HydrophobicContact CD1-CG1 3.93Å; L248-I250 HydrophobicContact CD2-CD1 4.14Å; L248-I250 HydrophobicContact CG-CD1 4.03Å; L248-I250 HydrophobicContact CG-CG1 3.98Å; I250-Q253 HydrophobicContact CG2-CG 3.76Å; I250-L260 HydrophobicContact CG2-CD1 3.76Å; I250-W267 HydrophobicContact CD1-CH2 4.29Å; I250-F277 HydrophobicContact CD1-CE2 4.27Å; I250-S278 PolarHBondContact N-O 2.87Å; I250-L279 HydrophobicContact CB-CD2 4.21Å; I250-T282 PolarHBondContact O-OG1 2.64Å |
| 251 | E | 96.2 | Very high | 88.1 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 152.8 | -160.4 | -65.2 | 178.8 | -172.1 | 0 | 0 | 112 | M223 I224 N225 R249 Q253 S278 D280 | M223-E251 PolarHBondContact O-N 2.77Å; I224-E251 WeakPolarHBondContact CA-O 3.5Å; I224-E251 HydrophobicContact CG1-CB 4.38Å; N225-E251 PolarHBondContact N-O 3.17Å; R249-E251 HydrophobicContact CB-CG 4.14Å; R249-E251 WeakPolarHBondContact CB-OE1 3.37Å; R249-E251 WeakPolarHBondContact CD-OE1 3.47Å; R249-E251 VanDerWaalsContact CG-OE1 3.31Å; R249-E251 WeakPolarHBondContact CG-OE1 3.24Å; R249-E251 IonicContact NE-OE1 2.81Å; E251-Q253 PolarHBondContact O-N 3.16Å; E251-Q253 VanDerWaalsContact O-N 3.08Å; E251-Q253 PolarHBondContact O-NE2 2.98Å; E251-S278 WeakPolarHBondContact CG-OG 3.33Å; E251-S278 WeakPolarHBondContact OE1-CB 3.41Å; E251-S278 PolarHBondContact OE1-OG 3.17Å; E251-D280 CarbonylContact C-O 3.17Å; E251-D280 WeakPolarHBondContact CA-O 3.42Å; E251-D280 WeakPolarHBondContact CB-O 3.47Å; E251-D280 HydrophobicContact CG-CB 4.26Å |
| 252 | Q | 93.7 | Very high | 89.3 | Confident | 101 Ų | 101 | 40.4 Ų | 40.4 | 47% | 0.472 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 54.4 | 27.3 | 176.5 | -51.9 | -177.1 | 50.8 | 0 | 0 | 114.5 | I224 N225 S254 D280 T282 | I224-Q252 HydrophobicContact CG2-CB 4.21Å; I224-Q252 HydrophobicContact CG2-CG 4.15Å; N225-Q252 HydrophobicContact CB-CB 4.3Å; Q252-S254 PolarHBondContact O-N 3.22Å; Q252-D280 PolarHBondContact N-O 3.42Å; Q252-T282 PolarHBondContact N-OG1 2.91Å |
| 253 | Q | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -73.8 | 119.1 | -177.8 | -54.9 | -56.3 | -33.7 | 0 | 0 | 110.9 | M223 N227 L228 I250 E251 L260 T282 N283 | M223-Q253 PolarHBondContact O-NE2 3.3Å; N227-Q253 VanDerWaalsContact N-OE1 3.1Å; L228-Q253 HydrophobicContact CB-CG 4.33Å; I250-Q253 HydrophobicContact CG2-CG 3.76Å; E251-Q253 PolarHBondContact O-N 3.16Å; E251-Q253 VanDerWaalsContact O-N 3.08Å; E251-Q253 PolarHBondContact O-NE2 2.98Å; Q253-L260 HydrophobicContact CG-CD1 4.4Å; Q253-T282 HydrophobicContact CB-CG2 3.96Å; Q253-T282 PolarHBondContact N-OG1 3.38Å; Q253-N283 PolarHBondContact O-N 3.24Å | ||
| 254 | S | 82.7 | Confident | 90.8 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | trans | -81 | 155.8 | -173.5 | 97.1 | 0 | 0 | 0 | 0 | 113.1 | N227 Q252 | N227-S254 PolarHBondContact OD1-OG 3.39Å; Q252-S254 PolarHBondContact O-N 3.22Å | ||
| 255 | G | 76.8 | Confident | 91 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 75.8 | -122.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G257 N283 | G255-G257 VanDerWaalsContact C-N 3.27Å; G255-G257 PolarHBondContact O-N 2.86Å; G255-G257 VanDerWaalsContact O-N 3.11Å; G255-N283 PolarHBondContact O-ND2 3.12Å |
| 256 | D | 84.5 | Confident | 91 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -85.7 | 49.6 | -173.6 | -71.9 | -44.9 | 0 | 0 | 0 | 113.5 | W258 K259 | D256-W258 PolarHBondContact O-N 3.47Å; D256-W258 VanDerWaalsContact O-N 3.13Å; D256-W258 PolarHBondContact OD1-NE1 3.39Å; D256-K259 HydrophobicContact CB-CD 3.65Å; D256-K259 HydrophobicContact CB-CG 4.03Å; D256-K259 VanDerWaalsContact CG-NZ 3.33Å; D256-K259 WeakPolarHBondContact O-CB 3.45Å; D256-K259 PolarHBondContact O-N 3.06Å; D256-K259 WeakPolarHBondContact OD2-CE 3.2Å; D256-K259 IonicContact OD2-NZ 3.9Å; D256-K259 PolarHBondContact OD2-NZ 3.07Å |
| 257 | G | 86.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G255 K259 L260 N283 | G255-G257 VanDerWaalsContact C-N 3.27Å; G255-G257 PolarHBondContact O-N 2.86Å; G255-G257 VanDerWaalsContact O-N 3.11Å; G257-K259 PolarHBondContact O-N 3.19Å; G257-K259 VanDerWaalsContact O-N 3.13Å; G257-L260 WeakPolarHBondContact O-CB 3.23Å; G257-L260 WeakPolarHBondContact O-CD1 3.47Å; G257-L260 VanDerWaalsContact O-CG 3.3Å; G257-L260 WeakPolarHBondContact O-CG 3.07Å; G257-L260 PolarHBondContact O-N 3.07Å; G257-L260 VanDerWaalsContact O-N 3.15Å; G257-N283 CarbonylContact C-O 3.12Å; G257-N283 WeakPolarHBondContact CA-O 3.33Å; G257-N283 PolarHBondContact N-O 2.75Å |
| 258 | W | 87.7 | Confident | 90.7 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.9 | 173.8 | 63.5 | -90.7 | 0 | 0 | 0 | 114.6 | D256 L260 L261 N283 M286 L309 | D256-W258 PolarHBondContact O-N 3.47Å; D256-W258 VanDerWaalsContact O-N 3.13Å; D256-W258 PolarHBondContact OD1-NE1 3.39Å; W258-L260 PolarHBondContact O-N 3.35Å; W258-L261 PolarHBondContact O-N 3.3Å; W258-N283 PolarHBondContact N-O 3.06Å; W258-M286 HydrophobicContact CD2-CB 4.48Å; W258-M286 HydrophobicContact CD2-CG 4.23Å; W258-M286 HydrophobicContact CE3-CG 4.34Å; W258-M286 HydrophobicContact CE3-SD 4.14Å; W258-M286 HydrophobicContact CH2-CG 4.43Å; W258-M286 HydrophobicContact CH2-SD 4.26Å; W258-M286 HydrophobicContact CZ2-CG 4.33Å; W258-M286 HydrophobicContact CZ3-CG 4.44Å; W258-M286 HydrophobicContact CZ3-SD 3.95Å; W258-L309 HydrophobicContact CB-CD1 4.36Å; W258-L309 HydrophobicContact CB-CD2 3.85Å |
| 259 | K | 90.7 | Very high | 90.4 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 32% | 0.317 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.7 | -21.5 | -179.6 | -71.2 | 177.9 | -177.2 | 164.2 | 0 | 113.8 | N229 D256 G257 L261 E262 | N229-K259 VanDerWaalsContact O-CB 3.25Å; N229-K259 WeakPolarHBondContact O-CB 3.45Å; D256-K259 HydrophobicContact CB-CD 3.65Å; D256-K259 HydrophobicContact CB-CG 4.03Å; D256-K259 VanDerWaalsContact CG-NZ 3.33Å; D256-K259 WeakPolarHBondContact O-CB 3.45Å; D256-K259 PolarHBondContact O-N 3.06Å; D256-K259 WeakPolarHBondContact OD2-CE 3.2Å; D256-K259 IonicContact OD2-NZ 3.9Å; D256-K259 PolarHBondContact OD2-NZ 3.07Å; G257-K259 PolarHBondContact O-N 3.19Å; G257-K259 VanDerWaalsContact O-N 3.13Å; K259-L261 PolarHBondContact O-N 3.39Å; K259-E262 WeakPolarHBondContact O-CB 3.27Å; K259-E262 PolarHBondContact O-N 3.3Å |
| 260 | L | 91.3 | Very high | 90 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -31.1 | 174.5 | -64.1 | 170.9 | 0 | 0 | 0 | 112.3 | L228 I231 I250 Q253 G257 W258 W267 T282 | L228-L260 HydrophobicContact CD2-CD2 4.26Å; L228-L260 HydrophobicContact CG-CD2 4.02Å; I231-L260 HydrophobicContact CD1-CD2 4.33Å; I231-L260 HydrophobicContact CG1-CD2 4.11Å; I250-L260 HydrophobicContact CG2-CD1 3.76Å; Q253-L260 HydrophobicContact CG-CD1 4.4Å; G257-L260 WeakPolarHBondContact O-CB 3.23Å; G257-L260 WeakPolarHBondContact O-CD1 3.47Å; G257-L260 VanDerWaalsContact O-CG 3.3Å; G257-L260 WeakPolarHBondContact O-CG 3.07Å; G257-L260 PolarHBondContact O-N 3.07Å; G257-L260 VanDerWaalsContact O-N 3.15Å; W258-L260 PolarHBondContact O-N 3.35Å; L260-W267 PolarHBondContact O-NE1 3.21Å; L260-T282 HydrophobicContact CD1-CG2 4.33Å |
| 261 | L | 92 | Very high | 89.7 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -84.6 | -22.4 | -177.8 | -63.5 | -175.2 | 0 | 0 | 0 | 113.9 | W258 K259 N263 S264 F277 L279 L284 L309 L311 L346 | W258-L261 PolarHBondContact O-N 3.3Å; K259-L261 PolarHBondContact O-N 3.39Å; L261-N263 VanDerWaalsContact C-N 3.29Å; L261-N263 PolarHBondContact O-N 3.07Å; L261-S264 WeakPolarHBondContact O-CB 3.4Å; L261-S264 PolarHBondContact O-N 2.89Å; L261-S264 VanDerWaalsContact O-N 3.09Å; L261-S264 PolarHBondContact O-OG 2.9Å; L261-F277 HydrophobicContact CD2-CE1 4.43Å; L261-L279 HydrophobicContact CD1-CD1 4.28Å; L261-L279 HydrophobicContact CD2-CD1 4.24Å; L261-L284 HydrophobicContact CD1-CD2 4.3Å; L261-L309 HydrophobicContact CB-CD1 4.15Å; L261-L309 HydrophobicContact CB-CG 4.39Å; L261-L309 HydrophobicContact CD1-CD2 3.96Å; L261-L309 HydrophobicContact CD1-CG 4.03Å; L261-L311 HydrophobicContact CD1-CD1 4.34Å; L261-L311 HydrophobicContact CD2-CD1 3.72Å; L261-L346 HydrophobicContact CD1-CD1 3.86Å |
| 262 | E | 87.1 | Confident | 89.4 | Confident | 116 Ų | 116 | 43.6 Ų | 43.6 | 54% | 0.542 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -52.5 | -43.7 | -176.3 | -172 | 177.9 | -156.8 | 0 | 0 | 112.8 | K259 | K259-E262 WeakPolarHBondContact O-CB 3.27Å; K259-E262 PolarHBondContact O-N 3.3Å |
| 263 | N | 88.4 | Confident | 89.3 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 18 | 178.9 | -67.1 | -81.1 | 0 | 0 | 0 | 113.1 | L261 H265 I266 W267 | L261-N263 VanDerWaalsContact C-N 3.29Å; L261-N263 PolarHBondContact O-N 3.07Å; N263-H265 PolarHBondContact O-N 3.12Å; N263-I266 HydrophobicContact CB-CD1 4.37Å; N263-I266 WeakPolarHBondContact O-CB 3.16Å; N263-I266 PolarHBondContact O-N 3.05Å; N263-W267 VanDerWaalsContact O-CD1 3.25Å; N263-W267 PolarHBondContact O-N 3.01Å; N263-W267 VanDerWaalsContact O-N 3.15Å |
| 264 | S | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -31.6 | -176.5 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | L261 I266 A268 H312 | L261-S264 WeakPolarHBondContact O-CB 3.4Å; L261-S264 PolarHBondContact O-N 2.89Å; L261-S264 VanDerWaalsContact O-N 3.09Å; L261-S264 PolarHBondContact O-OG 2.9Å; S264-I266 PolarHBondContact O-N 2.04Å; S264-I266 VanDerWaalsContact O-N 3.15Å; S264-A268 WeakPolarHBondContact O-CB 3.26Å; S264-A268 PolarHBondContact O-N 3.31Å; S264-H312 CarbonylContact C-O 3.57Å; S264-H312 PolarHBondContact OG-O 2.85Å |
| 265 | H | 92.4 | Very high | 90 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.356 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.7 | -12.8 | 175.8 | 68.6 | -84.1 | 0 | 0 | 0 | 113.8 | N263 H312 | N263-H265 PolarHBondContact O-N 3.12Å; H265-H312 WeakPolarHBondContact CA-O 3.29Å; H265-H312 HydrophobicContact CB-CB 4.28Å; H265-H312 WeakPolarHBondContact CB-ND1 3.38Å; H265-H312 WeakPolarHBondContact CB-O 3.3Å; H265-H312 PolarHBondContact N-O 3.17Å |
| 266 | I | 92.4 | Very high | 90.9 | Very high | 53 Ų | 53 | 41 Ų | 41 | 27% | 0.272 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -99.2 | -57.9 | 175.5 | -43.1 | 179.3 | 0 | 0 | 0 | 109.6 | N233 N263 S264 A268 K269 | N233-I266 HydrophobicContact CB-CB 4.39Å; N233-I266 HydrophobicContact CB-CG2 3.69Å; N263-I266 HydrophobicContact CB-CD1 4.37Å; N263-I266 WeakPolarHBondContact O-CB 3.16Å; N263-I266 PolarHBondContact O-N 3.05Å; S264-I266 PolarHBondContact O-N 2.04Å; S264-I266 VanDerWaalsContact O-N 3.15Å; I266-A268 PolarHBondContact O-N 2.99Å; I266-K269 VanDerWaalsContact O-CB 3.23Å; I266-K269 WeakPolarHBondContact O-CB 3.41Å; I266-K269 PolarHBondContact O-N 3.24Å |
| 267 | W | 92.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70 | -31.3 | -173.7 | 67.5 | -111.5 | 0 | 0 | 0 | 113.5 | I231 H232 F236 L248 I250 L260 N263 L271 F277 | I231-W267 HydrophobicContact CB-CD2 4.12Å; I231-W267 HydrophobicContact CB-CG 3.95Å; I231-W267 HydrophobicContact CD1-CD2 4.1Å; I231-W267 HydrophobicContact CD1-CE3 4.26Å; I231-W267 HydrophobicContact CD1-CH2 4.1Å; I231-W267 HydrophobicContact CD1-CZ2 3.87Å; I231-W267 HydrophobicContact CD1-CZ3 4.26Å; I231-W267 HydrophobicContact CG2-CB 3.89Å; I231-W267 HydrophobicContact CG2-CD2 3.87Å; I231-W267 HydrophobicContact CG2-CE3 4.25Å; I231-W267 HydrophobicContact CG2-CG 3.71Å; H232-W267 WeakPolarHBondContact O-CB 3.36Å; F236-W267 AromaticContact CD2-CE3 3.89Å; F236-W267 HydrophobicContact CD2-CE3 3.89Å; F236-W267 WeakPolarHBondContact CD2-O 3.31Å; F236-W267 AromaticContact CE2-CE3 3.65Å; F236-W267 HydrophobicContact CE2-CE3 3.65Å; F236-W267 HydrophobicContact CE2-CZ3 4.04Å; L248-W267 HydrophobicContact CD2-CH2 4.03Å; L248-W267 HydrophobicContact CD2-CZ3 3.79Å; I250-W267 HydrophobicContact CD1-CH2 4.29Å; L260-W267 PolarHBondContact O-NE1 3.21Å; N263-W267 VanDerWaalsContact O-CD1 3.25Å; N263-W267 PolarHBondContact O-N 3.01Å; N263-W267 VanDerWaalsContact O-N 3.15Å; W267-L271 HydrophobicContact CZ3-CD1 4.14Å; W267-F277 HydrophobicContact CH2-CE2 4.27Å; W267-F277 HydrophobicContact CH2-CZ 4.48Å |
| 268 | A | 93.1 | Very high | 92 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -11.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S264 I266 Y270 L271 L313 V317 | S264-A268 WeakPolarHBondContact O-CB 3.26Å; S264-A268 PolarHBondContact O-N 3.31Å; I266-A268 PolarHBondContact O-N 2.99Å; A268-Y270 PolarHBondContact O-N 3.1Å; A268-L271 HydrophobicContact CB-CD1 4.05Å; A268-L271 VanDerWaalsContact O-CB 3.28Å; A268-L271 WeakPolarHBondContact O-CB 3.45Å; A268-L271 WeakPolarHBondContact O-CG 3.27Å; A268-L271 PolarHBondContact O-N 2.8Å; A268-L313 CarbonylContact C-O 3.3Å; A268-L313 HydrophobicContact CB-CB 3.8Å; A268-L313 HydrophobicContact CB-CD2 4.14Å; A268-L313 WeakPolarHBondContact CB-O 3.37Å; A268-V317 VanDerWaalsContact O-CG2 3.27Å; A268-V317 WeakPolarHBondContact O-CG2 3.47Å |
| 269 | K | 90.3 | Very high | 92.5 | Very high | 94 Ų | 94 | 36.6 Ų | 36.6 | 41% | 0.409 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | -32 | -168.7 | -178.2 | -177.3 | 170.8 | -161 | 0 | 115.5 | I266 | I266-K269 VanDerWaalsContact O-CB 3.23Å; I266-K269 WeakPolarHBondContact O-CB 3.41Å; I266-K269 PolarHBondContact O-N 3.24Å |
| 270 | Y | 88.6 | Confident | 92.7 | Very high | 57 Ų | 57 | 34.3 Ų | 34.3 | 22% | 0.224 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 8.3 | -175.9 | -58.7 | -78.2 | 0 | 0 | 0 | 113.8 | N243 A268 Y272 | N243-Y270 PolarHBondContact ND2-O 3.34Å; A268-Y270 PolarHBondContact O-N 3.1Å; Y270-Y272 HydrophobicContact CD1-CE2 4.12Å; Y270-Y272 AromaticContact CD1-CZ 3.92Å; Y270-Y272 VanDerWaalsContact CD1-OH 3.3Å; Y270-Y272 WeakPolarHBondContact CD1-OH 3.47Å; Y270-Y272 WeakPolarHBondContact O-CD2 3.37Å; Y270-Y272 PolarHBondContact O-N 3.33Å; Y270-Y272 VanDerWaalsContact O-N 3.09Å |
| 271 | L | 91.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -84.1 | 47.7 | 177.9 | -56.4 | -176.6 | 0 | 0 | 0 | 112.4 | I215 F236 N243 L245 L248 W267 A268 T273 L274 V317 | I215-L271 HydrophobicContact CD1-CD2 4.31Å; F236-L271 HydrophobicContact CB-CD2 3.88Å; F236-L271 HydrophobicContact CD1-CD2 3.81Å; F236-L271 HydrophobicContact CD2-CD1 4.47Å; F236-L271 HydrophobicContact CD2-CD2 4.37Å; F236-L271 HydrophobicContact CE1-CD2 4.4Å; F236-L271 HydrophobicContact CG-CD2 3.78Å; N243-L271 WeakPolarHBondContact ND2-CD2 3.25Å; L245-L271 HydrophobicContact CD2-CD1 4.16Å; L245-L271 HydrophobicContact CD2-CD2 3.86Å; L248-L271 HydrophobicContact CD2-CD1 4.04Å; W267-L271 HydrophobicContact CZ3-CD1 4.14Å; A268-L271 HydrophobicContact CB-CD1 4.05Å; A268-L271 VanDerWaalsContact O-CB 3.28Å; A268-L271 WeakPolarHBondContact O-CB 3.45Å; A268-L271 WeakPolarHBondContact O-CG 3.27Å; A268-L271 PolarHBondContact O-N 2.8Å; L271-T273 PolarHBondContact O-N 2.84Å; L271-L274 HydrophobicContact CB-CB 4.11Å; L271-L274 HydrophobicContact CD1-CD2 4.32Å; L271-L274 VanDerWaalsContact O-CB 3.24Å; L271-L274 WeakPolarHBondContact O-CB 3.32Å; L271-L274 PolarHBondContact O-N 2.84Å; L271-V317 HydrophobicContact CB-CG2 4.06Å | ||
| 272 | Y | 88.6 | Confident | 92.9 | Very high | 72 Ų | 72 | 35 Ų | 35 | 28% | 0.282 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -26.7 | -168.9 | -57.1 | -65.6 | 0 | 0 | 0 | 115.5 | Y270 Y316 N320 | Y270-Y272 HydrophobicContact CD1-CE2 4.12Å; Y270-Y272 AromaticContact CD1-CZ 3.92Å; Y270-Y272 VanDerWaalsContact CD1-OH 3.3Å; Y270-Y272 WeakPolarHBondContact CD1-OH 3.47Å; Y270-Y272 WeakPolarHBondContact O-CD2 3.37Å; Y270-Y272 PolarHBondContact O-N 3.33Å; Y270-Y272 VanDerWaalsContact O-N 3.09Å; Y272-Y316 HydrophobicContact CD1-CD1 4.48Å; Y272-Y316 HydrophobicContact CD1-CD2 4.46Å; Y272-Y316 AromaticContact CD1-CG 3.99Å; Y272-Y316 HydrophobicContact CD1-CG 3.99Å; Y272-Y316 AromaticContact CE1-CD2 3.93Å; Y272-Y316 HydrophobicContact CE1-CD2 3.93Å; Y272-Y316 AromaticContact CE1-CG 3.91Å; Y272-Y316 HydrophobicContact CE1-CG 3.91Å; Y272-N320 PolarHBondContact O-ND2 3.48Å |
| 273 | T | 91.5 | Very high | 93 | Very high | 50 Ų | 50 | 32 Ų | 32 | 31% | 0.307 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5 | -179.4 | 37.7 | 0 | 0 | 0 | 0 | 114.1 | N243 L245 L246 L271 K275 | N243-T273 WeakPolarHBondContact O-CG2 3.49Å; N243-T273 PolarHBondContact O-OG1 2.98Å; L245-T273 PolarHBondContact N-OG1 2.84Å; L245-T273 CarbonylContact O-C 3.09Å; L245-T273 VanDerWaalsContact O-C 3.31Å; L245-T273 PolarHBondContact O-OG1 3.49Å; L246-T273 VanDerWaalsContact CD2-O 3.29Å; L246-T273 WeakPolarHBondContact CD2-O 3.14Å; L271-T273 PolarHBondContact O-N 2.84Å; T273-K275 PolarHBondContact O-N 3.39Å |
| 274 | L | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -66.9 | 118.7 | -173.5 | -172.2 | 72.7 | 0 | 0 | 0 | 112 | L245 L248 L271 L276 F277 L313 V317 | L245-L274 HydrophobicContact CD2-CD1 4.49Å; L245-L274 HydrophobicContact CG-CD1 4.43Å; L245-L274 VanDerWaalsContact O-CA 3.28Å; L245-L274 WeakPolarHBondContact O-CA 3.15Å; L245-L274 PolarHBondContact O-N 3.38Å; L248-L274 HydrophobicContact CB-CD1 3.6Å; L248-L274 HydrophobicContact CB-CD2 4.39Å; L248-L274 HydrophobicContact CD2-CD2 4.49Å; L271-L274 HydrophobicContact CB-CB 4.11Å; L271-L274 HydrophobicContact CD1-CD2 4.32Å; L271-L274 VanDerWaalsContact O-CB 3.24Å; L271-L274 WeakPolarHBondContact O-CB 3.32Å; L271-L274 PolarHBondContact O-N 2.84Å; L274-L276 WeakPolarHBondContact CD1-O 3.38Å; L274-F277 HydrophobicContact CD2-CB 4.42Å; L274-L313 HydrophobicContact CD2-CD1 4.3Å; L274-V317 HydrophobicContact CB-CG1 4.15Å; L274-V317 HydrophobicContact CD2-CG1 3.86Å | ||
| 275 | K | 95.4 | Very high | 92.5 | Very high | 90 Ų | 90 | 32.9 Ų | 32.9 | 39% | 0.391 | 16% | 0.16 | S | C | . | . | trans | -104.3 | -36 | 179.1 | -73.6 | 172.5 | 167.9 | -109.9 | 0 | 113 | L246 T273 L321 E322 Q323 | L246-K275 HydrophobicContact CD2-CD 3.62Å; L246-K275 HydrophobicContact CD2-CG 4.12Å; L246-K275 PolarHBondContact O-N 3.05Å; T273-K275 PolarHBondContact O-N 3.39Å; K275-L321 WeakPolarHBondContact O-CD1 3.49Å; K275-E322 HydrophobicContact CB-CB 4.45Å; K275-E322 WeakPolarHBondContact CD-OE2 3.29Å; K275-E322 WeakPolarHBondContact CE-OE2 3.49Å; K275-E322 HydrophobicContact CG-CG 4.34Å; K275-E322 WeakPolarHBondContact CG-OE2 3.46Å; K275-E322 IonicContact NZ-OE1 3.39Å; K275-E322 IonicContact NZ-OE2 2.85Å; K275-E322 PolarHBondContact NZ-OE2 3.27Å; K275-E322 PolarHBondContact O-N 2.96Å; K275-Q323 PolarHBondContact O-N 2.97Å | ||
| 276 | L | 96.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.063 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.4 | -176.7 | -174.2 | 166.8 | 0 | 0 | 0 | 109.8 | L246 K247 L248 R249 L274 Q323 | L246-L276 PolarHBondContact O-N 3.01Å; L246-L276 VanDerWaalsContact O-N 3.1Å; K247-L276 HydrophobicContact CB-CB 4.41Å; K247-L276 HydrophobicContact CD-CD1 4.2Å; K247-L276 HydrophobicContact CG-CB 4.04Å; K247-L276 HydrophobicContact CG-CD1 4.35Å; L248-L276 PolarHBondContact N-O 3.24Å; R249-L276 HydrophobicContact CG-CD2 4.37Å; L274-L276 WeakPolarHBondContact CD1-O 3.38Å; L276-Q323 HydrophobicContact CB-CB 4.32Å; L276-Q323 HydrophobicContact CD1-CG 4.41Å; L276-Q323 HydrophobicContact CG-CB 4.19Å; L276-Q323 HydrophobicContact CG-CG 4.01Å |
| 277 | F | 97.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.8 | 170 | -175.9 | -123 | 0 | 0 | 0 | 110.3 | L248 I250 L261 W267 L274 L279 L311 L313 L321 Q323 L324 N325 | L248-F277 HydrophobicContact CB-CD2 4.23Å; L248-F277 HydrophobicContact CD2-CD2 4.05Å; L248-F277 HydrophobicContact CD2-CE2 3.97Å; L248-F277 HydrophobicContact CG-CD2 4.1Å; L248-F277 HydrophobicContact CG-CE2 4.2Å; L248-F277 WeakPolarHBondContact O-CA 3.44Å; I250-F277 HydrophobicContact CD1-CE2 4.27Å; L261-F277 HydrophobicContact CD2-CE1 4.43Å; W267-F277 HydrophobicContact CH2-CE2 4.27Å; W267-F277 HydrophobicContact CH2-CZ 4.48Å; L274-F277 HydrophobicContact CD2-CB 4.42Å; F277-L279 HydrophobicContact CE1-CD1 3.66Å; F277-L279 HydrophobicContact CE1-CD2 4.23Å; F277-L279 HydrophobicContact CE1-CG 3.77Å; F277-L279 HydrophobicContact CE2-CD2 4.46Å; F277-L279 HydrophobicContact CZ-CD1 4.04Å; F277-L279 HydrophobicContact CZ-CD2 3.79Å; F277-L279 HydrophobicContact CZ-CG 3.85Å; F277-L311 HydrophobicContact CD1-CD1 4.33Å; F277-L311 HydrophobicContact CE1-CD1 3.88Å; F277-L313 HydrophobicContact CB-CD1 4.25Å; F277-L313 HydrophobicContact CD1-CD1 3.9Å; F277-L313 HydrophobicContact CD1-CD2 4.42Å; F277-L313 HydrophobicContact CE1-CD1 4.36Å; F277-L313 HydrophobicContact CE1-CD2 4.04Å; F277-L313 HydrophobicContact CG-CD1 3.99Å; F277-L313 HydrophobicContact CZ-CD2 4.18Å; F277-L321 HydrophobicContact CB-CD1 3.76Å; F277-Q323 PolarHBondContact N-O 2.98Å; F277-Q323 VanDerWaalsContact N-O 3.12Å; F277-L324 HydrophobicContact CD1-CD1 4.02Å; F277-N325 PolarHBondContact O-N 3.37Å |
| 278 | S | 97.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.9 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | L248 I250 E251 D280 N325 | L248-S278 PolarHBondContact O-N 3.36Å; I250-S278 PolarHBondContact N-O 2.87Å; E251-S278 WeakPolarHBondContact CG-OG 3.33Å; E251-S278 WeakPolarHBondContact OE1-CB 3.41Å; E251-S278 PolarHBondContact OE1-OG 3.17Å; S278-D280 PolarHBondContact OG-N 3.14Å; S278-N325 VanDerWaalsContact OG-CB 3.32Å; S278-N325 WeakPolarHBondContact OG-CB 3.18Å |
| 279 | L | 96.3 | Very high | 86.3 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -125.1 | 20 | 172.8 | -66.5 | 172.9 | 0 | 0 | 0 | 111.2 | I250 L261 F277 G281 T282 L284 N325 I326 C329 | I250-L279 HydrophobicContact CB-CD2 4.21Å; L261-L279 HydrophobicContact CD1-CD1 4.28Å; L261-L279 HydrophobicContact CD2-CD1 4.24Å; F277-L279 HydrophobicContact CE1-CD1 3.66Å; F277-L279 HydrophobicContact CE1-CD2 4.23Å; F277-L279 HydrophobicContact CE1-CG 3.77Å; F277-L279 HydrophobicContact CE2-CD2 4.46Å; F277-L279 HydrophobicContact CZ-CD1 4.04Å; F277-L279 HydrophobicContact CZ-CD2 3.79Å; F277-L279 HydrophobicContact CZ-CG 3.85Å; L279-G281 PolarHBondContact O-N 3.16Å; L279-T282 VanDerWaalsContact O-CB 3.24Å; L279-T282 WeakPolarHBondContact O-CB 3.36Å; L279-T282 PolarHBondContact O-N 3.26Å; L279-L284 HydrophobicContact CD1-CD1 4.16Å; L279-L284 HydrophobicContact CD1-CD2 4.38Å; L279-N325 PolarHBondContact N-O 2.83Å; L279-I326 HydrophobicContact CB-CG2 4.45Å; L279-C329 PolarHBondContact O-SG 3.24Å | ||
| 280 | D | 95.6 | Very high | 83.8 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 123.1 | -173.2 | -77.1 | -9.6 | 0 | 0 | 0 | 111.8 | E251 Q252 S278 T282 N325 I326 Q327 | E251-D280 CarbonylContact C-O 3.17Å; E251-D280 WeakPolarHBondContact CA-O 3.42Å; E251-D280 WeakPolarHBondContact CB-O 3.47Å; E251-D280 HydrophobicContact CG-CB 4.26Å; Q252-D280 PolarHBondContact N-O 3.42Å; S278-D280 PolarHBondContact OG-N 3.14Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 PolarHBondContact O-N 3.47Å; D280-N325 WeakPolarHBondContact OD1-CB 3.27Å; D280-N325 PolarHBondContact OD2-ND2 3.22Å; D280-I326 PolarHBondContact OD1-N 3.11Å; D280-Q327 WeakPolarHBondContact CA-O 3.3Å; D280-Q327 HydrophobicContact CB-CB 4.44Å; D280-Q327 VanDerWaalsContact OD1-CB 3.31Å; D280-Q327 WeakPolarHBondContact OD1-CB 3.1Å; D280-Q327 WeakPolarHBondContact OD1-CG 3.35Å; D280-Q327 PolarHBondContact OD1-N 3.4Å; D280-Q327 PolarHBondContact OD2-NE2 3.41Å |
| 281 | G | 93.6 | Very high | 81.4 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -1.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | L279 Q327 | L279-G281 PolarHBondContact O-N 3.16Å; G281-Q327 PolarHBondContact N-O 2.8Å |
| 282 | T | 93.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -76.8 | 130.6 | 175.3 | -71.4 | 0 | 0 | 0 | 0 | 110.7 | I250 Q252 Q253 L260 L279 D280 L284 C329 | I250-T282 PolarHBondContact O-OG1 2.64Å; Q252-T282 PolarHBondContact N-OG1 2.91Å; Q253-T282 HydrophobicContact CB-CG2 3.96Å; Q253-T282 PolarHBondContact N-OG1 3.38Å; L260-T282 HydrophobicContact CD1-CG2 4.33Å; L279-T282 VanDerWaalsContact O-CB 3.24Å; L279-T282 WeakPolarHBondContact O-CB 3.36Å; L279-T282 PolarHBondContact O-N 3.26Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 PolarHBondContact O-N 3.47Å; T282-L284 HydrophobicContact CG2-CD2 4.21Å; T282-L284 PolarHBondContact O-N 3.42Å; T282-L284 VanDerWaalsContact O-N 3.13Å; T282-C329 VanDerWaalsContact O-CA 3.32Å; T282-C329 WeakPolarHBondContact O-CA 3.41Å | ||
| 283 | N | 89.3 | Confident | 76.1 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | trans | -72.7 | 105.8 | -176 | 176.2 | 41.4 | 0 | 0 | 0 | 112.4 | Q253 G255 G257 W258 Q285 | Q253-N283 PolarHBondContact O-N 3.24Å; G255-N283 PolarHBondContact O-ND2 3.12Å; G257-N283 CarbonylContact C-O 3.12Å; G257-N283 WeakPolarHBondContact CA-O 3.33Å; G257-N283 PolarHBondContact N-O 2.75Å; W258-N283 PolarHBondContact N-O 3.06Å; N283-Q285 PolarHBondContact OD1-N 2.98Å | ||
| 284 | L | 89.5 | Confident | 73.6 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | trans | -97.1 | -0.1 | 177.6 | -59.7 | -175.3 | 0 | 0 | 0 | 113.6 | L261 L279 T282 M286 L309 C329 L331 L346 | L261-L284 HydrophobicContact CD1-CD2 4.3Å; L279-L284 HydrophobicContact CD1-CD1 4.16Å; L279-L284 HydrophobicContact CD1-CD2 4.38Å; T282-L284 HydrophobicContact CG2-CD2 4.21Å; T282-L284 PolarHBondContact O-N 3.42Å; T282-L284 VanDerWaalsContact O-N 3.13Å; L284-M286 PolarHBondContact O-N 2.76Å; L284-L309 HydrophobicContact CB-CD2 4.04Å; L284-L309 HydrophobicContact CD2-CD2 4.19Å; L284-C329 HydrophobicContact CB-CB 4.2Å; L284-C329 HydrophobicContact CD1-CB 3.81Å; L284-C329 HydrophobicContact CG-CB 3.89Å; L284-C329 PolarHBondContact N-O 3.45Å; L284-L331 HydrophobicContact CB-CD2 3.84Å; L284-L331 HydrophobicContact CD1-CD2 4.29Å; L284-L346 HydrophobicContact CD1-CD1 4.32Å; L284-L346 HydrophobicContact CD1-CD2 4.46Å | ||
| 285 | Q | 81.8 | Confident | 70.7 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 36% | 0.36 | 38% | 0.383 | S | S | . | . | trans | -75.3 | 107.1 | 177.7 | -176.2 | 172.8 | 58.2 | 0 | 0 | 111.1 | N283 T287 | N283-Q285 PolarHBondContact OD1-N 2.98Å; Q285-T287 PolarHBondContact O-N 3.46Å | ||
| 286 | M | 73.7 | Confident | 68.3 | Low | 46 Ų | 46 | 66.5 Ų | 66.5 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | trans | -72.3 | 109.3 | 177 | -173 | 168.6 | 61.3 | 0 | 0 | 111.1 | W258 L284 I288 L343 | W258-M286 HydrophobicContact CD2-CB 4.48Å; W258-M286 HydrophobicContact CD2-CG 4.23Å; W258-M286 HydrophobicContact CE3-CG 4.34Å; W258-M286 HydrophobicContact CE3-SD 4.14Å; W258-M286 HydrophobicContact CH2-CG 4.43Å; W258-M286 HydrophobicContact CH2-SD 4.26Å; W258-M286 HydrophobicContact CZ2-CG 4.33Å; W258-M286 HydrophobicContact CZ3-CG 4.44Å; W258-M286 HydrophobicContact CZ3-SD 3.95Å; L284-M286 PolarHBondContact O-N 2.76Å; M286-I288 PolarHBondContact O-N 2.93Å; M286-L343 HydrophobicContact CE-CB 3.89Å; M286-L343 HydrophobicContact CE-CD1 4.18Å; M286-L343 HydrophobicContact CE-CD2 3.79Å; M286-L343 HydrophobicContact CE-CG 4.15Å | ||
| 287 | T | 63 | Low | 65.5 | Low | 68 Ų | 68 | 71.1 Ų | 71.1 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | trans | -80.4 | 109.4 | 177.4 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | Q285 G289 | Q285-T287 PolarHBondContact O-N 3.46Å; T287-G289 PolarHBondContact O-N 3.28Å | ||
| 288 | I | 58.3 | Low | 62.8 | Low | 127 Ų | 127 | 77.9 Ų | 77.9 | 65% | 0.651 | 47% | 0.47 | S | S | * | . | trans | -57.5 | 113 | 171.3 | -48.6 | 175.8 | 0 | 0 | 0 | 108.9 | M286 K290 L343 | M286-I288 PolarHBondContact O-N 2.93Å; I288-K290 PolarHBondContact O-N 3.45Å; I288-K290 VanDerWaalsContact O-N 3.16Å; I288-L343 HydrophobicContact CD1-CD1 3.61Å; I288-L343 HydrophobicContact CG1-CD1 3.54Å | ||
| 289 | G | 45.3 | Very low | 60.1 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 53% | 0.526 | 51% | 0.511 | S | S | . | . | trans | -57 | 118.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T287 T291 | T287-G289 PolarHBondContact O-N 3.28Å; G289-T291 PolarHBondContact O-N 3.06Å | ||
| 290 | K | 38.7 | Very low | 57.2 | Low | 185 Ų | 185 | 88.4 Ų | 88.4 | 80% | 0.804 | 54% | 0.542 | S | S | * | . | trans | -78.7 | 67.9 | 174.9 | -75.2 | 179.3 | 179 | 111.3 | 0 | 110.4 | I288 S292 | I288-K290 PolarHBondContact O-N 3.45Å; I288-K290 VanDerWaalsContact O-N 3.16Å; K290-S292 PolarHBondContact O-N 2.95Å | ||
| 291 | T | 37.7 | Very low | 54.6 | Low | 141 Ų | 141 | 94.5 Ų | 94.5 | 87% | 0.865 | 58% | 0.575 | S | S | * | * | trans | -69.8 | 53.1 | 166.8 | 44 | 0 | 0 | 0 | 0 | 111.1 | G289 S293 | G289-T291 PolarHBondContact O-N 3.06Å; T291-S293 PolarHBondContact O-N 3.31Å | ||
| 292 | S | 35.9 | Very low | 52 | Low | 80 Ų | 80 | 100.6 Ų | 100.6 | 56% | 0.559 | 61% | 0.607 | S | S | * | * | trans | -73.8 | 119.1 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | K290 | K290-S292 PolarHBondContact O-N 2.95Š| ||
| 293 | S | 33.7 | Very low | 49.4 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | trans | 62.9 | 79.8 | 164.5 | 61.8 | 0 | 0 | 0 | 0 | 118.1 | T291 | T291-S293 PolarHBondContact O-N 3.31Š| ||
| 294 | S | 38.3 | Very low | 47.3 | Very low | 116 Ų | 116 | 112.2 Ų | 112.2 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -138.3 | 137.2 | 131.7 | 55.1 | 0 | 0 | 0 | 0 | 109.2 | I296 | S294-I296 PolarHBondContact O-N 2.88Š| ||
| 295 | S | 33.7 | Very low | 45.3 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 86% | 0.86 | 70% | 0.704 | S | S | * | * | trans | -78 | 111.6 | -167.9 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 296 | I | 43.9 | Very low | 43.9 | Very low | 147 Ų | 147 | 121.8 Ų | 121.8 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -132.1 | 130.5 | 151.1 | -60.5 | -177.8 | 0 | 0 | 0 | 106.6 | S294 D298 | S294-I296 PolarHBondContact O-N 2.88Å; I296-D298 WeakPolarHBondContact CG2-OD2 3.3Å | ||
| 297 | S | 37.9 | Very low | 43.4 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -117.6 | 54.5 | -170.2 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 298 | D | 42.2 | Very low | 43.7 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -96.6 | 97.3 | 177.7 | -70.2 | -53.5 | 0 | 0 | 0 | 111.1 | I296 A300 | I296-D298 WeakPolarHBondContact CG2-OD2 3.3Å; D298-A300 PolarHBondContact O-N 3.31Å; D298-A300 VanDerWaalsContact O-N 3.14Å | ||
| 299 | T | 39.1 | Very low | 44.9 | Very low | 144 Ų | 144 | 115.5 Ų | 115.5 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -88.3 | 63.3 | -172.5 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 300 | A | 37.2 | Very low | 47 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 66% | 0.661 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -163.2 | 118.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D298 | D298-A300 PolarHBondContact O-N 3.31Å; D298-A300 VanDerWaalsContact O-N 3.14Å |
| 301 | N | 39.5 | Very low | 49.6 | Very low | 154 Ų | 154 | 106.9 Ų | 106.9 | 82% | 0.824 | 63% | 0.634 | S | S | * | * | trans | 126.2 | -11.2 | 158.5 | -68 | -16.1 | 0 | 0 | 0 | 118 | K303 | N301-K303 PolarHBondContact O-N 3.25Š| ||
| 302 | V | 40.4 | Very low | 52.2 | Low | 151 Ų | 151 | 101.9 Ų | 101.9 | 92% | 0.915 | 60% | 0.6 | S | S | * | * | trans | -73.1 | 89.3 | 172.4 | -173.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 303 | K | 38.6 | Very low | 54.9 | Low | 203 Ų | 203 | 98.1 Ų | 98.1 | 88% | 0.883 | 57% | 0.574 | S | S | * | * | trans | -140.3 | 9.1 | -170.6 | -134 | -178.9 | -176.4 | -175.6 | 0 | 116.2 | N301 | N301-K303 PolarHBondContact O-N 3.25Š| ||
| 304 | S | 44.4 | Very low | 57.7 | Low | 91 Ų | 91 | 92.7 Ų | 92.7 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -131.6 | -13.6 | -169.3 | 51.5 | 0 | 0 | 0 | 0 | 117.2 | E306 | S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 PolarHBondContact O-N 3.23Å; S304-E306 VanDerWaalsContact O-N 3.16Å |
| 305 | M | 48.6 | Very low | 60.2 | Low | 160 Ų | 160 | 91.8 Ų | 91.8 | 79% | 0.788 | 52% | 0.523 | S | S | * | . | trans | -88.2 | 36.7 | -174.3 | -74.2 | -173.6 | 158.1 | 0 | 0 | 115.1 | ||||
| 306 | E | 52.5 | Low | 62.9 | Low | 120 Ų | 120 | 93 Ų | 93 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | trans | -120.3 | 25.1 | 172.8 | -66.7 | -169.8 | 153.4 | 0 | 0 | 112.5 | S304 K341 | S304-E306 VanDerWaalsContact C-N 3.29Å; S304-E306 PolarHBondContact O-N 3.23Å; S304-E306 VanDerWaalsContact O-N 3.16Å; E306-K341 HydrophobicContact CB-CD 4.19Å; E306-K341 WeakPolarHBondContact O-CG 3.39Å; E306-K341 IonicContact OE2-NZ 2.66Å; E306-K341 PolarHBondContact OE2-NZ 3.11Å | ||
| 307 | T | 61.6 | Low | 65.2 | Low | 84 Ų | 84 | 86 Ų | 86 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | trans | -90.6 | 145.8 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | L343 | T307-L343 WeakPolarHBondContact O-CD2 3.37Š| ||
| 308 | S | 69.1 | Low | 67.8 | Low | 6 Ų | 6 | 80.9 Ų | 80.9 | 4% | 0.042 | 44% | 0.438 | C | S | . | . | trans | -59.3 | 160.9 | 166.1 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | N310 | S308-N310 PolarHBondContact O-N 3.09Å; S308-N310 PolarHBondContact OG-OD1 3.45Å | ||
| 309 | L | 84.7 | Confident | 70.1 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 10% | 0.099 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 109.5 | 176.3 | -169.3 | 63.8 | 0 | 0 | 0 | 109.1 | W258 L261 L284 S345 L346 N347 | W258-L309 HydrophobicContact CB-CD1 4.36Å; W258-L309 HydrophobicContact CB-CD2 3.85Å; L261-L309 HydrophobicContact CB-CD1 4.15Å; L261-L309 HydrophobicContact CB-CG 4.39Å; L261-L309 HydrophobicContact CD1-CD2 3.96Å; L261-L309 HydrophobicContact CD1-CG 4.03Å; L284-L309 HydrophobicContact CB-CD2 4.04Å; L284-L309 HydrophobicContact CD2-CD2 4.19Å; L309-S345 PolarHBondContact N-O 3.12Å; L309-L346 HydrophobicContact CB-CD1 4.27Å; L309-L346 HydrophobicContact CD2-CD1 4.13Å; L309-L346 HydrophobicContact CG-CD1 4.15Å; L309-L346 WeakPolarHBondContact O-CD1 3.44Å; L309-N347 PolarHBondContact O-N 3.49Å |
| 310 | N | 89.1 | Confident | 72.6 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.3 | -176.1 | -67.1 | -19.8 | 0 | 0 | 0 | 111.6 | S308 H312 N347 | S308-N310 PolarHBondContact O-N 3.09Å; S308-N310 PolarHBondContact OG-OD1 3.45Å; N310-H312 PolarHBondContact O-N 3.49Å; N310-N347 VanDerWaalsContact OD1-CB 3.29Å; N310-N347 WeakPolarHBondContact OD1-CB 3.3Å; N310-N347 PolarHBondContact OD1-ND2 2.95Å |
| 311 | L | 92.8 | Very high | 75.4 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | -84.7 | 99.5 | 170.5 | 179.2 | 53.4 | 0 | 0 | 0 | 109.8 | L261 F277 L313 L324 L346 N347 L348 L351 | L261-L311 HydrophobicContact CD1-CD1 4.34Å; L261-L311 HydrophobicContact CD2-CD1 3.72Å; F277-L311 HydrophobicContact CD1-CD1 4.33Å; F277-L311 HydrophobicContact CE1-CD1 3.88Å; L311-L313 HydrophobicContact CD1-CD2 4.15Å; L311-L313 HydrophobicContact CD1-CG 4.36Å; L311-L324 HydrophobicContact CD2-CD1 3.9Å; L311-L324 HydrophobicContact CD2-CD2 3.75Å; L311-L346 HydrophobicContact CB-CD1 4.26Å; L311-L346 HydrophobicContact CB-CG 4.41Å; L311-L346 HydrophobicContact CD2-CD2 4.3Å; L311-N347 PolarHBondContact N-O 2.82Å; L311-L348 HydrophobicContact CB-CD2 4.37Å; L311-L348 HydrophobicContact CD2-CD2 3.98Å; L311-L351 HydrophobicContact CD2-CD1 4Å; L311-L351 HydrophobicContact CG-CD1 4.5Å; L311-L351 HydrophobicContact CG-CD2 4.3Å | ||
| 312 | H | 93.6 | Very high | 78.1 | Confident | 35 Ų | 35 | 68 Ų | 68 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -140.3 | 104.1 | -176.7 | 180 | -163.8 | 0 | 0 | 0 | 110.6 | S264 H265 N310 G314 N318 H350 | S264-H312 CarbonylContact C-O 3.57Å; S264-H312 PolarHBondContact OG-O 2.85Å; H265-H312 WeakPolarHBondContact CA-O 3.29Å; H265-H312 HydrophobicContact CB-CB 4.28Å; H265-H312 WeakPolarHBondContact CB-ND1 3.38Å; H265-H312 WeakPolarHBondContact CB-O 3.3Å; H265-H312 PolarHBondContact N-O 3.17Å; N310-H312 PolarHBondContact O-N 3.49Å; H312-G314 VanDerWaalsContact C-N 3.32Å; H312-G314 PolarHBondContact CD2-N 2.9Å; H312-G314 WeakPolarHBondContact NE2-CA 3.41Å; H312-G314 PolarHBondContact O-N 2.87Å; H312-N318 PolarHBondContact CD2-ND2 3.23Å; H312-H350 HydrophobicContact CB-CB 3.92Å; H312-H350 AromaticContact CG-CG 3.74Å; H312-H350 AromaticContact CG-ND1 3.95Å; H312-H350 AromaticContact ND1-CE1 3.98Å; H312-H350 AromaticContact ND1-ND1 3.79Å | ||
| 313 | L | 92.9 | Very high | 80.8 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -92.9 | 15.2 | -178.7 | -53.1 | 178.7 | 0 | 0 | 0 | 113.1 | A268 L274 F277 L311 V317 N318 | A268-L313 CarbonylContact C-O 3.3Å; A268-L313 HydrophobicContact CB-CB 3.8Å; A268-L313 HydrophobicContact CB-CD2 4.14Å; A268-L313 WeakPolarHBondContact CB-O 3.37Å; L274-L313 HydrophobicContact CD2-CD1 4.3Å; F277-L313 HydrophobicContact CB-CD1 4.25Å; F277-L313 HydrophobicContact CD1-CD1 3.9Å; F277-L313 HydrophobicContact CD1-CD2 4.42Å; F277-L313 HydrophobicContact CE1-CD1 4.36Å; F277-L313 HydrophobicContact CE1-CD2 4.04Å; F277-L313 HydrophobicContact CG-CD1 3.99Å; F277-L313 HydrophobicContact CZ-CD2 4.18Å; L311-L313 HydrophobicContact CD1-CD2 4.15Å; L311-L313 HydrophobicContact CD1-CG 4.36Å; L313-V317 HydrophobicContact CB-CB 3.82Å; L313-V317 HydrophobicContact CB-CG1 3.55Å; L313-V317 HydrophobicContact CD1-CG1 3.77Å; L313-V317 HydrophobicContact CG-CG1 4.32Å; L313-V317 WeakPolarHBondContact O-CB 3.15Å; L313-V317 WeakPolarHBondContact O-CG2 3.21Å; L313-N318 WeakPolarHBondContact CB-OD1 3.19Å; L313-N318 PolarHBondContact N-OD1 3.17Å |
| 314 | G | 91.2 | Very high | 83.6 | Confident | 6 Ų | 6 | 53 Ų | 53 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | trans | 86.9 | 148 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H312 Y316 V317 N318 | H312-G314 VanDerWaalsContact C-N 3.32Å; H312-G314 PolarHBondContact CD2-N 2.9Å; H312-G314 WeakPolarHBondContact NE2-CA 3.41Å; H312-G314 PolarHBondContact O-N 2.87Å; G314-Y316 VanDerWaalsContact C-N 3.29Å; G314-Y316 PolarHBondContact O-N 2.92Å; G314-Y316 VanDerWaalsContact O-N 3.13Å; G314-V317 PolarHBondContact O-N 3.13Å; G314-N318 WeakPolarHBondContact O-CB 3.49Å; G314-N318 PolarHBondContact O-N 2.63Å | ||
| 315 | D | 90.6 | Very high | 86.1 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.3 | -36.6 | -169.2 | -69.8 | -60 | 0 | 0 | 0 | 115.2 | K319 | D315-K319 WeakPolarHBondContact O-CB 3.39Å; D315-K319 WeakPolarHBondContact O-CD 3.5Å; D315-K319 WeakPolarHBondContact O-CG 3.47Å; D315-K319 PolarHBondContact O-N 3.41Å |
| 316 | Y | 90.1 | Very high | 88.3 | Confident | 148 Ų | 148 | 42 Ų | 42 | 58% | 0.58 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -74.5 | -46.4 | -178.4 | -70 | -87.4 | 0 | 0 | 0 | 111.9 | Y272 G314 N318 K319 N320 | Y272-Y316 HydrophobicContact CD1-CD1 4.48Å; Y272-Y316 HydrophobicContact CD1-CD2 4.46Å; Y272-Y316 AromaticContact CD1-CG 3.99Å; Y272-Y316 HydrophobicContact CD1-CG 3.99Å; Y272-Y316 AromaticContact CE1-CD2 3.93Å; Y272-Y316 HydrophobicContact CE1-CD2 3.93Å; Y272-Y316 AromaticContact CE1-CG 3.91Å; Y272-Y316 HydrophobicContact CE1-CG 3.91Å; G314-Y316 VanDerWaalsContact C-N 3.29Å; G314-Y316 PolarHBondContact O-N 2.92Å; G314-Y316 VanDerWaalsContact O-N 3.13Å; Y316-N318 VanDerWaalsContact C-N 3.35Å; Y316-K319 PolarHBondContact O-N 2.86Å; Y316-N320 PolarHBondContact O-N 2.94Å; Y316-N320 VanDerWaalsContact O-N 3.14Å |
| 317 | V | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 110 | A268 L271 L274 L313 G314 K319 N320 L321 | A268-V317 VanDerWaalsContact O-CG2 3.27Å; A268-V317 WeakPolarHBondContact O-CG2 3.47Å; L271-V317 HydrophobicContact CB-CG2 4.06Å; L274-V317 HydrophobicContact CB-CG1 4.15Å; L274-V317 HydrophobicContact CD2-CG1 3.86Å; L313-V317 HydrophobicContact CB-CB 3.82Å; L313-V317 HydrophobicContact CB-CG1 3.55Å; L313-V317 HydrophobicContact CD1-CG1 3.77Å; L313-V317 HydrophobicContact CG-CG1 4.32Å; L313-V317 WeakPolarHBondContact O-CB 3.15Å; L313-V317 WeakPolarHBondContact O-CG2 3.21Å; G314-V317 PolarHBondContact O-N 3.13Å; V317-K319 PolarHBondContact O-N 3.47Å; V317-N320 PolarHBondContact O-N 2.99Å; V317-L321 PolarHBondContact O-N 2.91Å |
| 318 | N | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.6 | -27.9 | 177.3 | -82 | 16.1 | 0 | 0 | 0 | 113.8 | H312 L313 G314 Y316 H350 L351 G352 | H312-N318 PolarHBondContact CD2-ND2 3.23Å; L313-N318 WeakPolarHBondContact CB-OD1 3.19Å; L313-N318 PolarHBondContact N-OD1 3.17Å; G314-N318 WeakPolarHBondContact O-CB 3.49Å; G314-N318 PolarHBondContact O-N 2.63Å; Y316-N318 VanDerWaalsContact C-N 3.35Å; N318-H350 VanDerWaalsContact CB-O 3.32Å; N318-H350 WeakPolarHBondContact CB-O 3.43Å; N318-H350 WeakPolarHBondContact ND2-CB 3.49Å; N318-H350 PolarHBondContact ND2-O 3.5Å; N318-L351 HydrophobicContact CB-CD2 4.44Å; N318-G352 WeakPolarHBondContact O-CA 3.09Å; N318-G352 PolarHBondContact O-N 3.43Å |
| 319 | K | 90.7 | Very high | 93 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -82.9 | -20.6 | 175.3 | -75.8 | 166.4 | -168.8 | 163.1 | 0 | 113.4 | D315 Y316 V317 Q354 | D315-K319 WeakPolarHBondContact O-CB 3.39Å; D315-K319 WeakPolarHBondContact O-CD 3.5Å; D315-K319 WeakPolarHBondContact O-CG 3.47Å; D315-K319 PolarHBondContact O-N 3.41Å; Y316-K319 PolarHBondContact O-N 2.86Å; V317-K319 PolarHBondContact O-N 3.47Å; K319-Q354 WeakPolarHBondContact O-CB 3.49Å; K319-Q354 WeakPolarHBondContact O-CG 3.27Å |
| 320 | N | 91.8 | Very high | 93.2 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -104.1 | -14.6 | -175.5 | -69.6 | -4.1 | 0 | 0 | 0 | 113.9 | Y272 Y316 V317 E322 | Y272-N320 PolarHBondContact O-ND2 3.48Å; Y316-N320 PolarHBondContact O-N 2.94Å; Y316-N320 VanDerWaalsContact O-N 3.14Å; V317-N320 PolarHBondContact O-N 2.99Å; N320-E322 PolarHBondContact O-N 3.05Å |
| 321 | L | 95 | Very high | 93.3 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | trans | -61.9 | 120.5 | -177.7 | -167.6 | 75 | 0 | 0 | 0 | 111.8 | K275 F277 V317 L324 L351 Q354 L355 | K275-L321 WeakPolarHBondContact O-CD1 3.49Å; F277-L321 HydrophobicContact CB-CD1 3.76Å; V317-L321 PolarHBondContact O-N 2.91Å; L321-L324 HydrophobicContact CD2-CB 4.35Å; L321-L324 HydrophobicContact CD2-CD1 4.5Å; L321-L351 HydrophobicContact CD2-CD2 4.11Å; L321-Q354 CarbonylContact O-C 3.31Å; L321-L355 HydrophobicContact CD2-CD1 4.46Å; L321-L355 WeakPolarHBondContact O-CA 3.12Å; L321-L355 PolarHBondContact O-N 2.86Å | ||
| 322 | E | 96.3 | Very high | 93.1 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | trans | -99.9 | -27.4 | -178.9 | -63 | -173.5 | 127.2 | 0 | 0 | 112.6 | K275 N320 K356 Q357 | K275-E322 HydrophobicContact CB-CB 4.45Å; K275-E322 WeakPolarHBondContact CD-OE2 3.29Å; K275-E322 WeakPolarHBondContact CE-OE2 3.49Å; K275-E322 HydrophobicContact CG-CG 4.34Å; K275-E322 WeakPolarHBondContact CG-OE2 3.46Å; K275-E322 IonicContact NZ-OE1 3.39Å; K275-E322 IonicContact NZ-OE2 2.85Å; K275-E322 PolarHBondContact NZ-OE2 3.27Å; K275-E322 PolarHBondContact O-N 2.96Å; N320-E322 PolarHBondContact O-N 3.05Å; E322-K356 HydrophobicContact CB-CD 4.4Å; E322-K356 HydrophobicContact CG-CD 4.45Å; E322-K356 WeakPolarHBondContact O-CA 3.46Å; E322-K356 PolarHBondContact O-N 2.98Å; E322-K356 IonicContact OE1-NZ 3.47Å; E322-K356 PolarHBondContact OE1-NZ 2.8Å; E322-Q357 PolarHBondContact O-N 3.37Å | ||
| 323 | Q | 97.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 36.2 Ų | 36.2 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.7 | -178.4 | 176 | 173.1 | -2.9 | 0 | 0 | 112.1 | K275 L276 F277 N325 Q357 Y359 | K275-Q323 PolarHBondContact O-N 2.97Å; L276-Q323 HydrophobicContact CB-CB 4.32Å; L276-Q323 HydrophobicContact CD1-CG 4.41Å; L276-Q323 HydrophobicContact CG-CB 4.19Å; L276-Q323 HydrophobicContact CG-CG 4.01Å; F277-Q323 PolarHBondContact N-O 2.98Å; F277-Q323 VanDerWaalsContact N-O 3.12Å; Q323-N325 PolarHBondContact NE2-OD1 3.4Å; Q323-Q357 WeakPolarHBondContact CA-O 3.36Å; Q323-Q357 HydrophobicContact CB-CB 4.17Å; Q323-Q357 HydrophobicContact CG-CB 4.03Å; Q323-Y359 HydrophobicContact CG-CE2 4.15Å |
| 324 | L | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.8 | 173.8 | -179.9 | 63.7 | 0 | 0 | 0 | 111.5 | F277 L311 L321 I326 L348 L351 L355 Q357 L358 Y359 | F277-L324 HydrophobicContact CD1-CD1 4.02Å; L311-L324 HydrophobicContact CD2-CD1 3.9Å; L311-L324 HydrophobicContact CD2-CD2 3.75Å; L321-L324 HydrophobicContact CD2-CB 4.35Å; L321-L324 HydrophobicContact CD2-CD1 4.5Å; L324-I326 HydrophobicContact CD1-CG2 3.95Å; L324-I326 HydrophobicContact CD2-CD1 4.42Å; L324-I326 HydrophobicContact CD2-CG2 4.46Å; L324-I326 HydrophobicContact CG-CG2 4.1Å; L324-L348 HydrophobicContact CD2-CD2 4.39Å; L324-L351 HydrophobicContact CD2-CD1 3.8Å; L324-L355 HydrophobicContact CB-CD1 3.74Å; L324-Q357 PolarHBondContact N-O 2.99Å; L324-L358 HydrophobicContact CB-CD1 4.13Å; L324-L358 HydrophobicContact CD2-CD1 4.07Å; L324-L358 HydrophobicContact CG-CD1 4.22Å; L324-Y359 PolarHBondContact O-N 3.31Å |
| 325 | N | 97.3 | Very high | 92.8 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.102 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 114.5 | 176.9 | -86 | 57.4 | 0 | 0 | 0 | 109.7 | F277 S278 L279 D280 Q323 Y359 | F277-N325 PolarHBondContact O-N 3.37Å; S278-N325 VanDerWaalsContact OG-CB 3.32Å; S278-N325 WeakPolarHBondContact OG-CB 3.18Å; L279-N325 PolarHBondContact N-O 2.83Å; D280-N325 WeakPolarHBondContact OD1-CB 3.27Å; D280-N325 PolarHBondContact OD2-ND2 3.22Å; Q323-N325 PolarHBondContact NE2-OD1 3.4Å; N325-Y359 WeakPolarHBondContact OD1-CD2 3.4Å |
| 326 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -137.5 | 41.1 | 179.1 | 55.9 | 173.5 | 0 | 0 | 0 | 111.9 | L279 D280 L324 C329 L331 L334 L346 Y359 I360 N363 | L279-I326 HydrophobicContact CB-CG2 4.45Å; D280-I326 PolarHBondContact OD1-N 3.11Å; L324-I326 HydrophobicContact CD1-CG2 3.95Å; L324-I326 HydrophobicContact CD2-CD1 4.42Å; L324-I326 HydrophobicContact CD2-CG2 4.46Å; L324-I326 HydrophobicContact CG-CG2 4.1Å; I326-C329 PolarHBondContact O-SG 3.27Å; I326-L331 HydrophobicContact CD1-CD1 4.07Å; I326-L334 HydrophobicContact CD1-CD2 4.1Å; I326-L346 HydrophobicContact CD1-CD2 3.82Å; I326-L346 HydrophobicContact CG2-CD2 4.34Å; I326-Y359 PolarHBondContact N-O 3.39Å; I326-I360 HydrophobicContact CD1-CG2 4.03Å; I326-I360 HydrophobicContact CG1-CG2 3.88Å; I326-N363 PolarHBondContact O-ND2 3.48Å | ||
| 327 | Q | 93.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 28.9 Ų | 28.9 | 17% | 0.173 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 147.7 | 177 | -55.3 | -170.4 | 64.2 | 0 | 0 | 112.1 | D280 G281 C329 G361 | D280-Q327 WeakPolarHBondContact CA-O 3.3Å; D280-Q327 HydrophobicContact CB-CB 4.44Å; D280-Q327 VanDerWaalsContact OD1-CB 3.31Å; D280-Q327 WeakPolarHBondContact OD1-CB 3.1Å; D280-Q327 WeakPolarHBondContact OD1-CG 3.35Å; D280-Q327 PolarHBondContact OD1-N 3.4Å; D280-Q327 PolarHBondContact OD2-NE2 3.41Å; G281-Q327 PolarHBondContact N-O 2.8Å; Q327-C329 PolarHBondContact O-N 2.95Å; Q327-C329 PolarHBondContact O-SG 2.81Å; Q327-C329 VanDerWaalsContact O-SG 3.38Å; Q327-G361 CarbonylContact C-O 3.47Å; Q327-G361 WeakPolarHBondContact CA-O 3.45Å |
| 328 | N | 93.7 | Very high | 91.1 | Very high | 82 Ų | 82 | 33.1 Ų | 33.1 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 21.2 | 174 | -167.5 | 48.5 | 0 | 0 | 0 | 114.5 | G330 G361 F362 | N328-G330 VanDerWaalsContact C-N 3.26Å; N328-G330 PolarHBondContact O-N 3.02Å; N328-G361 PolarHBondContact N-O 2.78Å; N328-F362 HydrophobicContact CB-CB 3.69Å |
| 329 | C | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -78.4 | -3.6 | -175 | -69.3 | 0 | 0 | 0 | 0 | 114.6 | L279 T282 L284 I326 Q327 L331 N363 | L279-C329 PolarHBondContact O-SG 3.24Å; T282-C329 VanDerWaalsContact O-CA 3.32Å; T282-C329 WeakPolarHBondContact O-CA 3.41Å; L284-C329 HydrophobicContact CB-CB 4.2Å; L284-C329 HydrophobicContact CD1-CB 3.81Å; L284-C329 HydrophobicContact CG-CB 3.89Å; L284-C329 PolarHBondContact N-O 3.45Å; I326-C329 PolarHBondContact O-SG 3.27Å; Q327-C329 PolarHBondContact O-N 2.95Å; Q327-C329 PolarHBondContact O-SG 2.81Å; Q327-C329 VanDerWaalsContact O-SG 3.38Å; C329-L331 VanDerWaalsContact C-N 3.35Å; C329-L331 HydrophobicContact CB-CD1 4.18Å; C329-L331 HydrophobicContact CB-CG 3.91Å; C329-N363 PolarHBondContact N-OD1 2.93Å; C329-N363 VanDerWaalsContact N-OD1 3.1Å |
| 330 | G | 88.8 | Confident | 88.3 | Confident | 14 Ų | 14 | 37.2 Ų | 37.2 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | trans | 79.1 | 15.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N328 N363 | N328-G330 VanDerWaalsContact C-N 3.26Å; N328-G330 PolarHBondContact O-N 3.02Å; G330-N363 PolarHBondContact N-OD1 3.01Å | ||
| 331 | L | 90.8 | Very high | 87 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -70.5 | 140.8 | -178.3 | -58.9 | 175.7 | 0 | 0 | 0 | 111.3 | L284 I326 C329 L334 L346 N363 Q364 F365 | L284-L331 HydrophobicContact CB-CD2 3.84Å; L284-L331 HydrophobicContact CD1-CD2 4.29Å; I326-L331 HydrophobicContact CD1-CD1 4.07Å; C329-L331 VanDerWaalsContact C-N 3.35Å; C329-L331 HydrophobicContact CB-CD1 4.18Å; C329-L331 HydrophobicContact CB-CG 3.91Å; L331-L334 HydrophobicContact CD1-CD2 3.96Å; L331-L346 HydrophobicContact CD1-CB 4.03Å; L331-L346 HydrophobicContact CD1-CD2 4.06Å; L331-L346 HydrophobicContact CD2-CB 3.9Å; L331-N363 HydrophobicContact CB-CB 4.41Å; L331-N363 PolarHBondContact N-OD1 3.23Å; L331-N363 VanDerWaalsContact N-OD1 3.07Å; L331-Q364 CarbonylContact O-C 3.53Å; L331-Q364 WeakPolarHBondContact O-CA 3.44Å; L331-Q364 PolarHBondContact O-N 3.33Å; L331-F365 HydrophobicContact CB-CE1 4.25Å; L331-F365 HydrophobicContact CB-CZ 4.45Å | ||
| 332 | T | 89.7 | Confident | 85.7 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -100.3 | -22.9 | 174.4 | 57 | 0 | 0 | 0 | 0 | 112.5 | S344 F365 P366 | T332-S344 PolarHBondContact N-O 3.44Å; T332-S344 VanDerWaalsContact N-O 3.15Å; T332-S344 WeakPolarHBondContact OG1-CB 3.47Å; T332-S344 PolarHBondContact OG1-O 3.21Å; T332-S344 VanDerWaalsContact OG1-O 3.1Å; T332-S344 PolarHBondContact OG1-OG 2.92Å; T332-F365 WeakPolarHBondContact O-CA 3.49Å; T332-F365 WeakPolarHBondContact O-CD1 3.49Å; T332-P366 WeakPolarHBondContact O-CD 3.41Å |
| 333 | N | 90 | Very high | 84.3 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 18% | 0.176 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 165.5 | -177.6 | -179 | 49 | 0 | 0 | 0 | 110.9 | I335 S345 L346 | N333-I335 WeakPolarHBondContact ND2-CG2 3.47Å; N333-S345 WeakPolarHBondContact CB-OG 3.47Å; N333-S345 PolarHBondContact ND2-OG 3.39Å; N333-S345 WeakPolarHBondContact O-CA 3.45Å; N333-L346 PolarHBondContact O-N 3.2Å |
| 334 | L | 91.3 | Very high | 83.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.2 | 169.8 | -56.5 | 174.9 | 0 | 0 | 0 | 108.6 | I326 L331 L346 L348 I360 F365 F370 A373 I374 | I326-L334 HydrophobicContact CD1-CD2 4.1Å; L331-L334 HydrophobicContact CD1-CD2 3.96Å; L334-L346 WeakPolarHBondContact CA-O 3.42Å; L334-L346 HydrophobicContact CD2-CB 3.94Å; L334-L346 HydrophobicContact CD2-CD2 4.46Å; L334-L348 HydrophobicContact CB-CD1 4.48Å; L334-L348 HydrophobicContact CD1-CD1 4.19Å; L334-I360 HydrophobicContact CD1-CG2 4.4Å; L334-F365 HydrophobicContact CD1-CZ 4.31Å; L334-F365 HydrophobicContact CD2-CE1 4.39Å; L334-F365 HydrophobicContact CD2-CZ 4.39Å; L334-F365 HydrophobicContact CG-CE1 3.97Å; L334-F365 HydrophobicContact CG-CZ 4.09Å; L334-F370 HydrophobicContact CB-CB 3.89Å; L334-F370 HydrophobicContact CD1-CB 4.12Å; L334-F370 HydrophobicContact CG-CB 3.96Å; L334-A373 HydrophobicContact CB-CB 3.8Å; L334-I374 HydrophobicContact CD1-CG2 4.09Å |
| 335 | I | 89.4 | Confident | 82.4 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160.8 | 177.5 | 63.2 | 176.3 | 0 | 0 | 0 | 111.8 | N333 N340 L346 N347 L348 A373 | N333-I335 WeakPolarHBondContact ND2-CG2 3.47Å; I335-N340 HydrophobicContact CD1-CB 3.62Å; I335-N340 HydrophobicContact CG2-CB 4.09Å; I335-L346 PolarHBondContact N-O 3.4Å; I335-N347 HydrophobicContact CD1-CB 3.99Å; I335-N347 HydrophobicContact CG1-CB 3.68Å; I335-N347 WeakPolarHBondContact O-CA 3.46Å; I335-N347 PolarHBondContact O-OD1 3.33Å; I335-L348 PolarHBondContact O-N 3.44Å; I335-A373 VanDerWaalsContact C-CB 3.43Å |
| 336 | D | 85.3 | Confident | 82 | Confident | 40 Ų | 40 | 40.5 Ų | 40.5 | 21% | 0.214 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -136.1 | 33.6 | -178.4 | -176 | 42 | 0 | 0 | 0 | 110.3 | F349 A373 K376 | D336-F349 WeakPolarHBondContact OD1-CA 3.35Å; D336-A373 HydrophobicContact CB-CB 4Å; D336-K376 WeakPolarHBondContact OD1-CD 3.32Å; D336-K376 WeakPolarHBondContact OD1-CE 3.32Å; D336-K376 IonicContact OD1-NZ 2.66Å; D336-K376 PolarHBondContact OD1-NZ 2.93Å |
| 337 | N | 82.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -152.5 | 151 | 176.5 | 74.4 | -53.6 | 0 | 0 | 0 | 110.2 | D339 N340 | N337-D339 VanDerWaalsContact C-N 3.31Å; N337-D339 PolarHBondContact ND2-OD2 2.93Å; N337-D339 PolarHBondContact O-N 3.38Å; N337-N340 PolarHBondContact ND2-ND2 2.81Å; N337-N340 PolarHBondContact OD1-ND2 3.48Å |
| 338 | N | 69.4 | Low | 81.7 | Confident | 89 Ų | 89 | 38.8 Ų | 38.8 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.5 | -174.3 | -63.9 | -17.4 | 0 | 0 | 0 | 113.4 | N347 | N338-N347 PolarHBondContact OD1-ND2 2.91Š|
| 339 | D | 65.2 | Low | 81.5 | Confident | 129 Ų | 129 | 39.7 Ų | 39.7 | 69% | 0.69 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.7 | -171.7 | -34.3 | -76.6 | 0 | 0 | 0 | 113.8 | N337 K341 | N337-D339 VanDerWaalsContact C-N 3.31Å; N337-D339 PolarHBondContact ND2-OD2 2.93Å; N337-D339 PolarHBondContact O-N 3.38Å; D339-K341 PolarHBondContact O-N 2.97Å |
| 340 | N | 61.3 | Low | 81.3 | Confident | 78 Ų | 78 | 42.3 Ų | 42.3 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | trans | -86.5 | 110.2 | -173.9 | -92.2 | -47.1 | 0 | 0 | 0 | 112.1 | I335 N337 D342 | I335-N340 HydrophobicContact CD1-CB 3.62Å; I335-N340 HydrophobicContact CG2-CB 4.09Å; N337-N340 PolarHBondContact ND2-ND2 2.81Å; N337-N340 PolarHBondContact OD1-ND2 3.48Å; N340-D342 VanDerWaalsContact C-N 3.27Å; N340-D342 PolarHBondContact O-N 3.04Å | ||
| 341 | K | 63.3 | Low | 81.5 | Confident | 136 Ų | 136 | 42 Ų | 42 | 59% | 0.591 | 21% | 0.214 | S | C | * | . | trans | -81.8 | 22.1 | -175.2 | -61 | -171.7 | 165.6 | -167.3 | 0 | 115.8 | E306 D339 L343 | E306-K341 HydrophobicContact CB-CD 4.19Å; E306-K341 WeakPolarHBondContact O-CG 3.39Å; E306-K341 IonicContact OE2-NZ 2.66Å; E306-K341 PolarHBondContact OE2-NZ 3.11Å; D339-K341 PolarHBondContact O-N 2.97Å; K341-L343 PolarHBondContact O-N 2.95Å | ||
| 342 | D | 69.4 | Low | 81.2 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 32% | 0.316 | 22% | 0.221 | S | C | . | . | trans | -81.5 | 109.7 | 177.1 | 177.9 | 7.3 | 0 | 0 | 0 | 110.3 | N340 S344 S345 | N340-D342 VanDerWaalsContact C-N 3.27Å; N340-D342 PolarHBondContact O-N 3.04Å; D342-S344 PolarHBondContact O-N 2.97Å; D342-S344 WeakPolarHBondContact OD1-CA 3.36Å; D342-S344 PolarHBondContact OD1-N 2.99Å; D342-S344 PolarHBondContact OD1-OG 3.2Å; D342-S345 WeakPolarHBondContact CB-OG 3.41Å; D342-S345 WeakPolarHBondContact O-CB 3.24Å; D342-S345 PolarHBondContact O-N 3.23Å; D342-S345 PolarHBondContact OD2-OG 3.33Å | ||
| 343 | L | 65.8 | Low | 81.1 | Confident | 34 Ų | 34 | 45 Ų | 45 | 18% | 0.178 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -3.4 | -178.4 | -46.1 | -179.4 | 0 | 0 | 0 | 113.4 | M286 I288 T307 K341 | M286-L343 HydrophobicContact CE-CB 3.89Å; M286-L343 HydrophobicContact CE-CD1 4.18Å; M286-L343 HydrophobicContact CE-CD2 3.79Å; M286-L343 HydrophobicContact CE-CG 4.15Å; I288-L343 HydrophobicContact CD1-CD1 3.61Å; I288-L343 HydrophobicContact CG1-CD1 3.54Å; T307-L343 WeakPolarHBondContact O-CD2 3.37Å; K341-L343 PolarHBondContact O-N 2.95Å |
| 344 | S | 71.8 | Confident | 81.1 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 5.1 | 169.4 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | T332 D342 | T332-S344 PolarHBondContact N-O 3.44Å; T332-S344 VanDerWaalsContact N-O 3.15Å; T332-S344 WeakPolarHBondContact OG1-CB 3.47Å; T332-S344 PolarHBondContact OG1-O 3.21Å; T332-S344 VanDerWaalsContact OG1-O 3.1Å; T332-S344 PolarHBondContact OG1-OG 2.92Å; D342-S344 PolarHBondContact O-N 2.97Å; D342-S344 WeakPolarHBondContact OD1-CA 3.36Å; D342-S344 PolarHBondContact OD1-N 2.99Å; D342-S344 PolarHBondContact OD1-OG 3.2Å |
| 345 | S | 82.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.3 | 169.1 | -71.5 | 0 | 0 | 0 | 0 | 112.1 | L309 N333 D342 | L309-S345 PolarHBondContact N-O 3.12Å; N333-S345 WeakPolarHBondContact CB-OG 3.47Å; N333-S345 PolarHBondContact ND2-OG 3.39Å; N333-S345 WeakPolarHBondContact O-CA 3.45Å; D342-S345 WeakPolarHBondContact CB-OG 3.41Å; D342-S345 WeakPolarHBondContact O-CB 3.24Å; D342-S345 PolarHBondContact O-N 3.23Å; D342-S345 PolarHBondContact OD2-OG 3.33Å |
| 346 | L | 89.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.2 | 166 | -171.4 | 72 | 0 | 0 | 0 | 109.3 | L261 L284 L309 L311 I326 L331 N333 L334 I335 L348 | L261-L346 HydrophobicContact CD1-CD1 3.86Å; L284-L346 HydrophobicContact CD1-CD1 4.32Å; L284-L346 HydrophobicContact CD1-CD2 4.46Å; L309-L346 HydrophobicContact CB-CD1 4.27Å; L309-L346 HydrophobicContact CD2-CD1 4.13Å; L309-L346 HydrophobicContact CG-CD1 4.15Å; L309-L346 WeakPolarHBondContact O-CD1 3.44Å; L311-L346 HydrophobicContact CB-CD1 4.26Å; L311-L346 HydrophobicContact CB-CG 4.41Å; L311-L346 HydrophobicContact CD2-CD2 4.3Å; I326-L346 HydrophobicContact CD1-CD2 3.82Å; I326-L346 HydrophobicContact CG2-CD2 4.34Å; L331-L346 HydrophobicContact CD1-CB 4.03Å; L331-L346 HydrophobicContact CD1-CD2 4.06Å; L331-L346 HydrophobicContact CD2-CB 3.9Å; N333-L346 PolarHBondContact O-N 3.2Å; L334-L346 WeakPolarHBondContact CA-O 3.42Å; L334-L346 HydrophobicContact CD2-CB 3.94Å; L334-L346 HydrophobicContact CD2-CD2 4.46Å; I335-L346 PolarHBondContact N-O 3.4Å; L346-L348 HydrophobicContact CD2-CD2 3.84Å; L346-L348 HydrophobicContact CG-CD2 4.09Å |
| 347 | N | 90.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 117.8 | 177.3 | -177.5 | 12.8 | 0 | 0 | 0 | 110.7 | L309 N310 L311 I335 N338 F349 | L309-N347 PolarHBondContact O-N 3.49Å; N310-N347 VanDerWaalsContact OD1-CB 3.29Å; N310-N347 WeakPolarHBondContact OD1-CB 3.3Å; N310-N347 PolarHBondContact OD1-ND2 2.95Å; L311-N347 PolarHBondContact N-O 2.82Å; I335-N347 HydrophobicContact CD1-CB 3.99Å; I335-N347 HydrophobicContact CG1-CB 3.68Å; I335-N347 WeakPolarHBondContact O-CA 3.46Å; I335-N347 PolarHBondContact O-OD1 3.33Å; N338-N347 PolarHBondContact OD1-ND2 2.91Å; N347-F349 WeakPolarHBondContact OD1-CB 3.32Å; N347-F349 PolarHBondContact OD1-N 3.45Å |
| 348 | L | 92.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -96.3 | 5 | -179 | -55.9 | -176.4 | 0 | 0 | 0 | 112.7 | L311 L324 L334 I335 L346 H350 L351 I374 K376 F377 | L311-L348 HydrophobicContact CB-CD2 4.37Å; L311-L348 HydrophobicContact CD2-CD2 3.98Å; L324-L348 HydrophobicContact CD2-CD2 4.39Å; L334-L348 HydrophobicContact CB-CD1 4.48Å; L334-L348 HydrophobicContact CD1-CD1 4.19Å; I335-L348 PolarHBondContact O-N 3.44Å; L346-L348 HydrophobicContact CD2-CD2 3.84Å; L346-L348 HydrophobicContact CG-CD2 4.09Å; L348-H350 VanDerWaalsContact C-N 3.26Å; L348-H350 PolarHBondContact O-N 3.19Å; L348-H350 VanDerWaalsContact O-N 3.11Å; L348-L351 HydrophobicContact CB-CD1 4.33Å; L348-L351 HydrophobicContact CD2-CD1 4Å; L348-L351 WeakPolarHBondContact O-CB 3.49Å; L348-L351 PolarHBondContact O-N 2.98Å; L348-I374 HydrophobicContact CD1-CG2 3.88Å; L348-K376 PolarHBondContact O-NZ 3.38Å; L348-F377 HydrophobicContact CB-CZ 4.33Å; L348-F377 HydrophobicContact CD1-CE2 4.11Å | ||
| 349 | F | 89.5 | Confident | 84.1 | Confident | 101 Ų | 101 | 45.2 Ų | 45.2 | 44% | 0.443 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -44.4 | -173.2 | 178.9 | -104.9 | 0 | 0 | 0 | 114.1 | D336 N347 L351 K376 | D336-F349 WeakPolarHBondContact OD1-CA 3.35Å; N347-F349 WeakPolarHBondContact OD1-CB 3.32Å; N347-F349 PolarHBondContact OD1-N 3.45Å; F349-L351 VanDerWaalsContact C-N 3.32Å; F349-L351 PolarHBondContact O-N 3.05Å; F349-K376 VanDerWaalsContact C-NZ 3.35Å; F349-K376 PolarHBondContact O-NZ 2.97Å |
| 350 | H | 89.2 | Confident | 85.5 | Confident | 56 Ų | 56 | 39 Ų | 39 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.4 | -176 | -61.4 | -86.9 | 0 | 0 | 0 | 114.5 | H312 N318 L348 | H312-H350 HydrophobicContact CB-CB 3.92Å; H312-H350 AromaticContact CG-CG 3.74Å; H312-H350 AromaticContact CG-ND1 3.95Å; H312-H350 AromaticContact ND1-CE1 3.98Å; H312-H350 AromaticContact ND1-ND1 3.79Å; N318-H350 VanDerWaalsContact CB-O 3.32Å; N318-H350 WeakPolarHBondContact CB-O 3.43Å; N318-H350 WeakPolarHBondContact ND2-CB 3.49Å; N318-H350 PolarHBondContact ND2-O 3.5Å; L348-H350 VanDerWaalsContact C-N 3.26Å; L348-H350 PolarHBondContact O-N 3.19Å; L348-H350 VanDerWaalsContact O-N 3.11Å |
| 351 | L | 92.2 | Very high | 87 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | trans | -71.8 | 137.4 | 179.1 | -64.4 | -177.3 | 0 | 0 | 0 | 111.5 | L311 N318 L321 L324 L348 F349 K376 F377 | L311-L351 HydrophobicContact CD2-CD1 4Å; L311-L351 HydrophobicContact CG-CD1 4.5Å; L311-L351 HydrophobicContact CG-CD2 4.3Å; N318-L351 HydrophobicContact CB-CD2 4.44Å; L321-L351 HydrophobicContact CD2-CD2 4.11Å; L324-L351 HydrophobicContact CD2-CD1 3.8Å; L348-L351 HydrophobicContact CB-CD1 4.33Å; L348-L351 HydrophobicContact CD2-CD1 4Å; L348-L351 WeakPolarHBondContact O-CB 3.49Å; L348-L351 PolarHBondContact O-N 2.98Å; F349-L351 VanDerWaalsContact C-N 3.32Å; F349-L351 PolarHBondContact O-N 3.05Å; L351-K376 PolarHBondContact O-NZ 2.99Å; L351-F377 HydrophobicContact CB-CE1 3.8Å; L351-F377 HydrophobicContact CB-CZ 3.85Å; L351-F377 HydrophobicContact CD1-CZ 4.13Å | ||
| 352 | G | 85.2 | Confident | 88.5 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | trans | -88.9 | 171 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N318 Q354 | N318-G352 WeakPolarHBondContact O-CA 3.09Å; N318-G352 PolarHBondContact O-N 3.43Å; G352-Q354 PolarHBondContact O-N 3.33Å | ||
| 353 | N | 86.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 29.8 Ų | 29.8 | 43% | 0.428 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 10.5 | -168.4 | -56.7 | 14.1 | 0 | 0 | 0 | 114.5 | N379 | N353-N379 WeakPolarHBondContact O-CB 3.38Å; N353-N379 PolarHBondContact O-ND2 2.69Å |
| 354 | Q | 90.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 31.4 Ų | 31.4 | 43% | 0.43 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -1.9 | 179 | -63.5 | -58.9 | -25.8 | 0 | 0 | 114 | K319 L321 G352 K356 | K319-Q354 WeakPolarHBondContact O-CB 3.49Å; K319-Q354 WeakPolarHBondContact O-CG 3.27Å; L321-Q354 CarbonylContact O-C 3.31Å; G352-Q354 PolarHBondContact O-N 3.33Å; Q354-K356 PolarHBondContact O-N 3.38Å |
| 355 | L | 94.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | trans | -62.9 | 116.1 | 177.6 | -169.7 | 71 | 0 | 0 | 0 | 110.9 | L321 L324 L358 F377 N379 L380 | L321-L355 HydrophobicContact CD2-CD1 4.46Å; L321-L355 WeakPolarHBondContact O-CA 3.12Å; L321-L355 PolarHBondContact O-N 2.86Å; L324-L355 HydrophobicContact CB-CD1 3.74Å; L355-L358 HydrophobicContact CD2-CB 4.29Å; L355-L358 HydrophobicContact CD2-CD1 4.42Å; L355-L358 HydrophobicContact CD2-CD2 4.39Å; L355-F377 HydrophobicContact CB-CB 4.48Å; L355-F377 HydrophobicContact CB-CD1 3.8Å; L355-F377 HydrophobicContact CB-CE1 4.28Å; L355-F377 HydrophobicContact CB-CG 4.18Å; L355-F377 HydrophobicContact CD2-CD1 4.05Å; L355-F377 HydrophobicContact CD2-CD2 3.88Å; L355-F377 HydrophobicContact CD2-CE1 4.15Å; L355-F377 HydrophobicContact CD2-CE2 4.01Å; L355-F377 HydrophobicContact CD2-CG 3.92Å; L355-F377 HydrophobicContact CD2-CZ 4.14Å; L355-N379 CarbonylContact O-C 3.41Å; L355-L380 HydrophobicContact CG-CD1 4.49Å; L355-L380 PolarHBondContact O-N 3.32Å | ||
| 356 | K | 95.2 | Very high | 92.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | trans | -102.5 | -31.4 | -179.6 | -68.3 | 167.4 | -174.1 | 172.7 | 0 | 112.7 | E322 Q354 Q381 L382 | E322-K356 HydrophobicContact CB-CD 4.4Å; E322-K356 HydrophobicContact CG-CD 4.45Å; E322-K356 WeakPolarHBondContact O-CA 3.46Å; E322-K356 PolarHBondContact O-N 2.98Å; E322-K356 IonicContact OE1-NZ 3.47Å; E322-K356 PolarHBondContact OE1-NZ 2.8Å; Q354-K356 PolarHBondContact O-N 3.38Å; K356-Q381 HydrophobicContact CB-CG 4.34Å; K356-Q381 HydrophobicContact CG-CG 4.44Å; K356-Q381 WeakPolarHBondContact O-CA 3.42Å; K356-Q381 PolarHBondContact O-N 2.83Å; K356-L382 PolarHBondContact O-N 3Å | ||
| 357 | Q | 96.9 | Very high | 92.2 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 20% | 0.201 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.9 | -178.7 | -53.3 | -170 | 5.8 | 0 | 0 | 111.4 | E322 Q323 L324 Y359 L382 | E322-Q357 PolarHBondContact O-N 3.37Å; Q323-Q357 WeakPolarHBondContact CA-O 3.36Å; Q323-Q357 HydrophobicContact CB-CB 4.17Å; Q323-Q357 HydrophobicContact CG-CB 4.03Å; L324-Q357 PolarHBondContact N-O 2.99Å; Q357-Y359 HydrophobicContact CB-CE2 3.85Å; Q357-Y359 PolarHBondContact OE1-OH 2.92Å; Q357-L382 WeakPolarHBondContact CA-O 3.45Å; Q357-L382 HydrophobicContact CB-CB 4.35Å; Q357-L382 HydrophobicContact CG-CB 4.08Å |
| 358 | L | 96.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 120.4 | -179 | 178.2 | 57.1 | 0 | 0 | 0 | 111.8 | L324 L355 I360 I374 L380 L382 L383 S384 | L324-L358 HydrophobicContact CB-CD1 4.13Å; L324-L358 HydrophobicContact CD2-CD1 4.07Å; L324-L358 HydrophobicContact CG-CD1 4.22Å; L355-L358 HydrophobicContact CD2-CB 4.29Å; L355-L358 HydrophobicContact CD2-CD1 4.42Å; L355-L358 HydrophobicContact CD2-CD2 4.39Å; L358-I360 HydrophobicContact CD1-CG2 3.69Å; L358-I360 HydrophobicContact CD2-CG2 4.29Å; L358-I360 HydrophobicContact CG-CG2 3.78Å; L358-I374 HydrophobicContact CD2-CB 4.14Å; L358-I374 HydrophobicContact CD2-CD1 4.43Å; L358-I374 HydrophobicContact CD2-CG2 3.51Å; L358-L380 HydrophobicContact CB-CD1 3.71Å; L358-L382 PolarHBondContact N-O 2.77Å; L358-L383 HydrophobicContact CB-CD1 4.27Å; L358-L383 HydrophobicContact CD2-CD1 4.21Å; L358-L383 HydrophobicContact CG-CD1 4.21Å; L358-S384 PolarHBondContact O-N 2.94Å |
| 359 | Y | 97.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 9% | 0.09 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.1 | -179.4 | -57.1 | -99.9 | 0 | 0 | 0 | 110.4 | Q323 L324 N325 I326 Q357 L382 S384 | Q323-Y359 HydrophobicContact CG-CE2 4.15Å; L324-Y359 PolarHBondContact O-N 3.31Å; N325-Y359 WeakPolarHBondContact OD1-CD2 3.4Å; I326-Y359 PolarHBondContact N-O 3.39Å; Q357-Y359 HydrophobicContact CB-CE2 3.85Å; Q357-Y359 PolarHBondContact OE1-OH 2.92Å; Y359-L382 HydrophobicContact CD1-CD2 4.4Å; Y359-L382 HydrophobicContact CE1-CD2 3.75Å; Y359-L382 HydrophobicContact CE2-CD2 4.25Å; Y359-L382 WeakPolarHBondContact OH-CD1 3.3Å; Y359-S384 VanDerWaalsContact CD1-CB 3.43Å |
| 360 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -126.8 | 13.8 | -171.9 | 65.2 | 172.7 | 0 | 0 | 0 | 114 | I326 L334 L358 N363 F365 F370 S384 I385 | I326-I360 HydrophobicContact CD1-CG2 4.03Å; I326-I360 HydrophobicContact CG1-CG2 3.88Å; L334-I360 HydrophobicContact CD1-CG2 4.4Å; L358-I360 HydrophobicContact CD1-CG2 3.69Å; L358-I360 HydrophobicContact CD2-CG2 4.29Å; L358-I360 HydrophobicContact CG-CG2 3.78Å; I360-N363 PolarHBondContact O-ND2 3.45Å; I360-F365 HydrophobicContact CB-CE2 4.11Å; I360-F365 HydrophobicContact CB-CZ 4.45Å; I360-F365 HydrophobicContact CD1-CE2 4.01Å; I360-F365 HydrophobicContact CG1-CE2 4.23Å; I360-F365 WeakPolarHBondContact O-CE2 3.27Å; I360-F370 HydrophobicContact CD1-CD2 3.81Å; I360-F370 HydrophobicContact CD1-CE2 3.47Å; I360-F370 VanDerWaalsContact CD1-CE2 3.47Å; I360-F370 HydrophobicContact CD1-CZ 4.1Å; I360-S384 PolarHBondContact N-O 2.83Å; I360-I385 HydrophobicContact CD1-CD1 4.28Å; I360-I385 HydrophobicContact CD1-CG1 4.02Å; I360-I385 HydrophobicContact CD1-CG2 4.35Å; I360-I385 HydrophobicContact CG1-CB 4.42Å; I360-I385 HydrophobicContact CG1-CG1 4.01Å; I360-I385 HydrophobicContact CG1-CG2 4.28Å | ||
| 361 | G | 93.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 169.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q327 N328 N363 N386 | Q327-G361 CarbonylContact C-O 3.47Å; Q327-G361 WeakPolarHBondContact CA-O 3.45Å; N328-G361 PolarHBondContact N-O 2.78Å; G361-N363 PolarHBondContact O-N 2.76Å; G361-N363 PolarHBondContact O-ND2 2.7Å; G361-N386 CarbonylContact C-O 3.55Å; G361-N386 WeakPolarHBondContact CA-O 3.48Å |
| 362 | F | 93.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 38.6 Ų | 38.6 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 8 | 174.8 | -57.2 | -87.8 | 0 | 0 | 0 | 116.4 | N328 N386 S387 Q389 | N328-F362 HydrophobicContact CB-CB 3.69Å; F362-N386 PolarHBondContact N-O 3.16Å; F362-S387 WeakPolarHBondContact CA-O 3.27Å; F362-S387 VanDerWaalsContact CD1-CB 3.48Å; F362-Q389 PolarHBondContact O-NE2 3.31Å |
| 363 | N | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -79.5 | -172.5 | 175 | -76.9 | -59.6 | 0 | 0 | 0 | 112.6 | I326 C329 G330 L331 I360 G361 F365 N388 Q389 | I326-N363 PolarHBondContact O-ND2 3.48Å; C329-N363 PolarHBondContact N-OD1 2.93Å; C329-N363 VanDerWaalsContact N-OD1 3.1Å; G330-N363 PolarHBondContact N-OD1 3.01Å; L331-N363 HydrophobicContact CB-CB 4.41Å; L331-N363 PolarHBondContact N-OD1 3.23Å; L331-N363 VanDerWaalsContact N-OD1 3.07Å; I360-N363 PolarHBondContact O-ND2 3.45Å; G361-N363 PolarHBondContact O-N 2.76Å; G361-N363 PolarHBondContact O-ND2 2.7Å; N363-F365 HydrophobicContact CB-CD2 3.99Å; N363-F365 HydrophobicContact CB-CE1 4.5Å; N363-F365 HydrophobicContact CB-CE2 3.6Å; N363-F365 HydrophobicContact CB-CZ 3.88Å; N363-N388 PolarHBondContact O-OD1 2.86Å; N363-N388 VanDerWaalsContact O-OD1 3.06Å; N363-Q389 WeakPolarHBondContact O-CB 3.46Å; N363-Q389 WeakPolarHBondContact O-CG 3.39Å; N363-Q389 PolarHBondContact O-N 3.08Å |
| 364 | Q | 92.1 | Very high | 91.7 | Very high | 68 Ų | 68 | 34.1 Ų | 34.1 | 32% | 0.318 | 17% | 0.171 | S | C | . | . | trans | -118.2 | 39 | -174.5 | -58.9 | -169.7 | -11.2 | 0 | 0 | 112.2 | L331 P366 Q389 I390 | L331-Q364 CarbonylContact O-C 3.53Å; L331-Q364 WeakPolarHBondContact O-CA 3.44Å; L331-Q364 PolarHBondContact O-N 3.33Å; Q364-P366 WeakPolarHBondContact O-CD 3.4Å; Q364-Q389 HydrophobicContact CG-CB 4.12Å; Q364-Q389 HydrophobicContact CG-CG 4.34Å; Q364-I390 WeakPolarHBondContact O-CD1 3.25Å | ||
| 365 | F | 92 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -64.5 | 123.3 | 179.9 | -58.4 | -57.5 | 0 | 0 | 0 | 110.6 | L331 T332 L334 I360 N363 N367 F370 N388 L392 | L331-F365 HydrophobicContact CB-CE1 4.25Å; L331-F365 HydrophobicContact CB-CZ 4.45Å; T332-F365 WeakPolarHBondContact O-CA 3.49Å; T332-F365 WeakPolarHBondContact O-CD1 3.49Å; L334-F365 HydrophobicContact CD1-CZ 4.31Å; L334-F365 HydrophobicContact CD2-CE1 4.39Å; L334-F365 HydrophobicContact CD2-CZ 4.39Å; L334-F365 HydrophobicContact CG-CE1 3.97Å; L334-F365 HydrophobicContact CG-CZ 4.09Å; I360-F365 HydrophobicContact CB-CE2 4.11Å; I360-F365 HydrophobicContact CB-CZ 4.45Å; I360-F365 HydrophobicContact CD1-CE2 4.01Å; I360-F365 HydrophobicContact CG1-CE2 4.23Å; I360-F365 WeakPolarHBondContact O-CE2 3.27Å; N363-F365 HydrophobicContact CB-CD2 3.99Å; N363-F365 HydrophobicContact CB-CE1 4.5Å; N363-F365 HydrophobicContact CB-CE2 3.6Å; N363-F365 HydrophobicContact CB-CZ 3.88Å; F365-N367 VanDerWaalsContact C-N 3.33Å; F365-F370 HydrophobicContact CB-CD1 3.76Å; F365-F370 HydrophobicContact CB-CE1 3.84Å; F365-F370 HydrophobicContact CD1-CB 4.25Å; F365-F370 AromaticContact CD1-CD1 3.82Å; F365-F370 HydrophobicContact CD1-CD1 3.82Å; F365-F370 HydrophobicContact CD1-CG 4.27Å; F365-F370 AromaticContact CD2-CD1 3.96Å; F365-F370 HydrophobicContact CD2-CD1 3.96Å; F365-F370 AromaticContact CD2-CE1 3.92Å; F365-F370 HydrophobicContact CD2-CE1 3.92Å; F365-F370 HydrophobicContact CE1-CB 4.27Å; F365-F370 HydrophobicContact CE1-CD1 4.44Å; F365-F370 HydrophobicContact CE1-CG 4.47Å; F365-F370 AromaticContact CG-CD1 3.57Å; F365-F370 HydrophobicContact CG-CD1 3.57Å; F365-F370 AromaticContact CG-CE1 3.86Å; F365-F370 HydrophobicContact CG-CE1 3.86Å; F365-F370 HydrophobicContact CG-CG 4.34Å; F365-N388 WeakPolarHBondContact CD2-OD1 3.28Å; F365-N388 PolarHBondContact N-OD1 2.98Å; F365-N388 PolarHBondContact O-ND2 2.99Å; F365-L392 HydrophobicContact CB-CD2 4.44Å; F365-L392 WeakPolarHBondContact O-CD2 3.49Å | ||
| 366 | P | 89.2 | Confident | 91.3 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 48% | 0.481 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -81.2 | -15.7 | -177 | 33.3 | -36.4 | 0 | 0 | 0 | 113.2 | T332 Q364 I390 | T332-P366 WeakPolarHBondContact O-CD 3.41Å; Q364-P366 WeakPolarHBondContact O-CD 3.4Å; P366-I390 HydrophobicContact CB-CD1 4.26Å |
| 367 | N | 89.8 | Confident | 91.1 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 33% | 0.326 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -165 | 179.8 | 178.5 | 59.9 | 20.2 | 0 | 0 | 0 | 108.9 | F365 N369 F370 L392 | F365-N367 VanDerWaalsContact C-N 3.33Å; N367-N369 PolarHBondContact ND2-ND2 3.04Å; N367-N369 PolarHBondContact ND2-OD1 3.07Å; N367-N369 PolarHBondContact O-N 3.37Å; N367-N369 WeakPolarHBondContact OD1-CB 3.28Å; N367-N369 PolarHBondContact OD1-N 2.92Å; N367-N369 PolarHBondContact OD1-ND2 2.95Å; N367-N369 PolarHBondContact OD1-OD1 3.47Å; N367-F370 VanDerWaalsContact O-CD1 3.31Å; N367-F370 WeakPolarHBondContact O-CD1 3.05Å; N367-F370 WeakPolarHBondContact O-CE1 3.25Å; N367-L392 VanDerWaalsContact CA-CD2 3.44Å |
| 368 | F | 88.7 | Confident | 90.7 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -76.4 | 15.6 | 177.7 | -76.8 | -78.6 | 0 | 0 | 0 | 115.3 | F370 I371 I385 L392 K394 L395 P396 I414 I416 | F368-F370 AromaticContact CD1-CE1 3.92Å; F368-F370 HydrophobicContact CD1-CE1 3.92Å; F368-F370 HydrophobicContact CD1-CE2 4.31Å; F368-F370 AromaticContact CD1-CZ 3.5Å; F368-F370 HydrophobicContact CD1-CZ 3.5Å; F368-F370 VanDerWaalsContact CD1-CZ 3.5Å; F368-F370 AromaticContact CE1-CZ 3.97Å; F368-F370 HydrophobicContact CE1-CZ 3.97Å; F368-F370 HydrophobicContact CG-CE1 4.47Å; F368-F370 HydrophobicContact CG-CZ 4.44Å; F368-F370 PolarHBondContact O-N 3.2Å; F368-F370 VanDerWaalsContact O-N 3.09Å; F368-I371 HydrophobicContact CB-CD1 3.97Å; F368-I371 HydrophobicContact CB-CG1 4.37Å; F368-I371 HydrophobicContact CD1-CD1 3.76Å; F368-I371 HydrophobicContact CD1-CG1 4.28Å; F368-I371 HydrophobicContact CG-CD1 4.22Å; F368-I371 WeakPolarHBondContact O-CB 3.49Å; F368-I371 WeakPolarHBondContact O-CG1 3.49Å; F368-I371 PolarHBondContact O-N 2.84Å; F368-I385 HydrophobicContact CE1-CD1 4.43Å; F368-L392 HydrophobicContact CD1-CD1 4.43Å; F368-L392 HydrophobicContact CD2-CB 4.17Å; F368-L392 HydrophobicContact CE1-CD1 4Å; F368-L392 HydrophobicContact CE2-CB 3.62Å; F368-L392 HydrophobicContact CE2-CD1 4.14Å; F368-L392 HydrophobicContact CE2-CG 4.4Å; F368-L392 HydrophobicContact CZ-CB 4.06Å; F368-L392 HydrophobicContact CZ-CD1 3.84Å; F368-K394 WeakPolarHBondContact CD2-O 3.41Å; F368-K394 VanDerWaalsContact CE2-O 3.25Å; F368-K394 WeakPolarHBondContact CE2-O 3.48Å; F368-L395 HydrophobicContact CE1-CD1 4.43Å; F368-L395 HydrophobicContact CZ-CD1 4.03Å; F368-P396 HydrophobicContact CB-CG 4.05Å; F368-P396 HydrophobicContact CD2-CG 4.36Å; F368-P396 HydrophobicContact CG-CG 4.09Å; F368-I414 HydrophobicContact CE1-CD1 4.48Å; F368-I414 HydrophobicContact CZ-CD1 3.79Å; F368-I416 HydrophobicContact CZ-CD1 4.31Å |
| 369 | N | 87.6 | Confident | 90.4 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 49% | 0.487 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -58 | -29 | -177.7 | -78 | -1.7 | 0 | 0 | 0 | 113.5 | N367 I371 N372 | N367-N369 PolarHBondContact ND2-ND2 3.04Å; N367-N369 PolarHBondContact ND2-OD1 3.07Å; N367-N369 PolarHBondContact O-N 3.37Å; N367-N369 WeakPolarHBondContact OD1-CB 3.28Å; N367-N369 PolarHBondContact OD1-N 2.92Å; N367-N369 PolarHBondContact OD1-ND2 2.95Å; N367-N369 PolarHBondContact OD1-OD1 3.47Å; N369-I371 PolarHBondContact O-N 3.4Å; N369-I371 VanDerWaalsContact O-N 3.13Å; N369-N372 WeakPolarHBondContact O-CB 3.43Å; N369-N372 PolarHBondContact O-N 2.74Å; N369-N372 VanDerWaalsContact O-N 3.08Å; N369-N372 PolarHBondContact O-ND2 3.14Å |
| 370 | F | 87.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -57.1 | -23 | 176.3 | 64.5 | -99.9 | 0 | 0 | 0 | 113.6 | L334 I360 F365 N367 F368 N372 A373 I374 I385 L392 | L334-F370 HydrophobicContact CB-CB 3.89Å; L334-F370 HydrophobicContact CD1-CB 4.12Å; L334-F370 HydrophobicContact CG-CB 3.96Å; I360-F370 HydrophobicContact CD1-CD2 3.81Å; I360-F370 HydrophobicContact CD1-CE2 3.47Å; I360-F370 VanDerWaalsContact CD1-CE2 3.47Å; I360-F370 HydrophobicContact CD1-CZ 4.1Å; F365-F370 HydrophobicContact CB-CD1 3.76Å; F365-F370 HydrophobicContact CB-CE1 3.84Å; F365-F370 HydrophobicContact CD1-CB 4.25Å; F365-F370 AromaticContact CD1-CD1 3.82Å; F365-F370 HydrophobicContact CD1-CD1 3.82Å; F365-F370 HydrophobicContact CD1-CG 4.27Å; F365-F370 AromaticContact CD2-CD1 3.96Å; F365-F370 HydrophobicContact CD2-CD1 3.96Å; F365-F370 AromaticContact CD2-CE1 3.92Å; F365-F370 HydrophobicContact CD2-CE1 3.92Å; F365-F370 HydrophobicContact CE1-CB 4.27Å; F365-F370 HydrophobicContact CE1-CD1 4.44Å; F365-F370 HydrophobicContact CE1-CG 4.47Å; F365-F370 AromaticContact CG-CD1 3.57Å; F365-F370 HydrophobicContact CG-CD1 3.57Å; F365-F370 AromaticContact CG-CE1 3.86Å; F365-F370 HydrophobicContact CG-CE1 3.86Å; F365-F370 HydrophobicContact CG-CG 4.34Å; N367-F370 VanDerWaalsContact O-CD1 3.31Å; N367-F370 WeakPolarHBondContact O-CD1 3.05Å; N367-F370 WeakPolarHBondContact O-CE1 3.25Å; F368-F370 AromaticContact CD1-CE1 3.92Å; F368-F370 HydrophobicContact CD1-CE1 3.92Å; F368-F370 HydrophobicContact CD1-CE2 4.31Å; F368-F370 AromaticContact CD1-CZ 3.5Å; F368-F370 HydrophobicContact CD1-CZ 3.5Å; F368-F370 VanDerWaalsContact CD1-CZ 3.5Å; F368-F370 AromaticContact CE1-CZ 3.97Å; F368-F370 HydrophobicContact CE1-CZ 3.97Å; F368-F370 HydrophobicContact CG-CE1 4.47Å; F368-F370 HydrophobicContact CG-CZ 4.44Å; F368-F370 PolarHBondContact O-N 3.2Å; F368-F370 VanDerWaalsContact O-N 3.09Å; F370-N372 PolarHBondContact O-N 2.91Å; F370-A373 WeakPolarHBondContact O-CB 3.26Å; F370-A373 PolarHBondContact O-N 3.16Å; F370-I374 HydrophobicContact CD2-CD1 4.34Å; F370-I374 HydrophobicContact CE2-CD1 4.48Å; F370-I385 HydrophobicContact CE2-CD1 4.09Å; F370-I385 HydrophobicContact CZ-CD1 4.13Å; F370-I385 HydrophobicContact CZ-CG2 4.39Å; F370-L392 HydrophobicContact CE1-CD1 4.38Å |
| 371 | I | 88.2 | Confident | 90.2 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.8 | -35.8 | 174.5 | -70.6 | -176.5 | 0 | 0 | 0 | 111.2 | F368 N369 A373 I374 K375 P396 F399 Q402 W403 | F368-I371 HydrophobicContact CB-CD1 3.97Å; F368-I371 HydrophobicContact CB-CG1 4.37Å; F368-I371 HydrophobicContact CD1-CD1 3.76Å; F368-I371 HydrophobicContact CD1-CG1 4.28Å; F368-I371 HydrophobicContact CG-CD1 4.22Å; F368-I371 WeakPolarHBondContact O-CB 3.49Å; F368-I371 WeakPolarHBondContact O-CG1 3.49Å; F368-I371 PolarHBondContact O-N 2.84Å; N369-I371 PolarHBondContact O-N 3.4Å; N369-I371 VanDerWaalsContact O-N 3.13Å; I371-A373 PolarHBondContact O-N 3.04Å; I371-I374 WeakPolarHBondContact O-CG1 3.49Å; I371-I374 PolarHBondContact O-N 3.44Å; I371-K375 PolarHBondContact O-N 3.41Å; I371-P396 HydrophobicContact CD1-CG 3.71Å; I371-F399 HydrophobicContact CD1-CD2 3.53Å; I371-F399 HydrophobicContact CD1-CE2 3.8Å; I371-Q402 VanDerWaalsContact CG2-OE1 3.23Å; I371-W403 HydrophobicContact CD1-CH2 4.41Å; I371-W403 HydrophobicContact CG1-CH2 4.22Å; I371-W403 HydrophobicContact CG2-CH2 3.8Å; I371-W403 HydrophobicContact CG2-CZ2 4.23Å |
| 372 | N | 86.6 | Confident | 90.3 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.6 | -21 | 178.3 | -70.5 | -69.5 | 0 | 0 | 0 | 114.1 | N369 F370 K375 | N369-N372 WeakPolarHBondContact O-CB 3.43Å; N369-N372 PolarHBondContact O-N 2.74Å; N369-N372 VanDerWaalsContact O-N 3.08Å; N369-N372 PolarHBondContact O-ND2 3.14Å; F370-N372 PolarHBondContact O-N 2.91Å; N372-K375 WeakPolarHBondContact O-CD 3.16Å; N372-K375 WeakPolarHBondContact O-CE 3.5Å; N372-K375 WeakPolarHBondContact O-CG 3.21Å |
| 373 | A | 86.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.9 | -22.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L334 I335 D336 F370 I371 | L334-A373 HydrophobicContact CB-CB 3.8Å; I335-A373 VanDerWaalsContact C-CB 3.43Å; D336-A373 HydrophobicContact CB-CB 4Å; F370-A373 WeakPolarHBondContact O-CB 3.26Å; F370-A373 PolarHBondContact O-N 3.16Å; I371-A373 PolarHBondContact O-N 3.04Å |
| 374 | I | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -103.8 | -8.2 | -176.7 | 53.7 | 154.9 | 0 | 0 | 0 | 113.1 | L334 L348 L358 F370 I371 K376 F377 L383 W403 | L334-I374 HydrophobicContact CD1-CG2 4.09Å; L348-I374 HydrophobicContact CD1-CG2 3.88Å; L358-I374 HydrophobicContact CD2-CB 4.14Å; L358-I374 HydrophobicContact CD2-CD1 4.43Å; L358-I374 HydrophobicContact CD2-CG2 3.51Å; F370-I374 HydrophobicContact CD2-CD1 4.34Å; F370-I374 HydrophobicContact CE2-CD1 4.48Å; I371-I374 WeakPolarHBondContact O-CG1 3.49Å; I371-I374 PolarHBondContact O-N 3.44Å; I374-K376 PolarHBondContact O-N 3.46Å; I374-K376 VanDerWaalsContact O-N 3.13Å; I374-F377 HydrophobicContact CB-CD2 3.99Å; I374-F377 HydrophobicContact CB-CE2 4.32Å; I374-F377 HydrophobicContact CG2-CD2 4.14Å; I374-F377 HydrophobicContact CG2-CE2 4.03Å; I374-F377 WeakPolarHBondContact O-CD2 3.34Å; I374-F377 PolarHBondContact O-N 3.09Å; I374-F377 VanDerWaalsContact O-N 3.15Å; I374-L383 HydrophobicContact CD1-CD1 4.24Å; I374-L383 HydrophobicContact CD1-CD2 4.04Å; I374-W403 HydrophobicContact CB-CZ2 4.43Å; I374-W403 HydrophobicContact CD1-CH2 3.87Å; I374-W403 HydrophobicContact CD1-CZ2 3.59Å; I374-W403 HydrophobicContact CG1-CH2 4.37Å; I374-W403 HydrophobicContact CG1-CZ2 3.77Å; I374-W403 PolarHBondContact O-NE1 3.42Å |
| 375 | K | 88.5 | Confident | 90.5 | Very high | 93 Ų | 93 | 31.5 Ų | 31.5 | 40% | 0.404 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25 | 174.9 | 73.8 | -175.4 | 176.4 | -172.6 | 0 | 115.5 | I371 N372 H378 | I371-K375 PolarHBondContact O-N 3.41Å; N372-K375 WeakPolarHBondContact O-CD 3.16Å; N372-K375 WeakPolarHBondContact O-CE 3.5Å; N372-K375 WeakPolarHBondContact O-CG 3.21Å; K375-H378 PolarHBondContact O-CE1 2.79Å; K375-H378 VanDerWaalsContact O-CE1 3.25Å; K375-H378 PolarHBondContact O-ND1 3.41Å |
| 376 | K | 87.7 | Confident | 90.5 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 12% | 0.122 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.4 | -179.4 | 66.5 | 166.5 | -179.1 | -171.2 | 0 | 113.8 | D336 L348 F349 L351 I374 H378 | D336-K376 WeakPolarHBondContact OD1-CD 3.32Å; D336-K376 WeakPolarHBondContact OD1-CE 3.32Å; D336-K376 IonicContact OD1-NZ 2.66Å; D336-K376 PolarHBondContact OD1-NZ 2.93Å; L348-K376 PolarHBondContact O-NZ 3.38Å; F349-K376 VanDerWaalsContact C-NZ 3.35Å; F349-K376 PolarHBondContact O-NZ 2.97Å; L351-K376 PolarHBondContact O-NZ 2.99Å; I374-K376 PolarHBondContact O-N 3.46Å; I374-K376 VanDerWaalsContact O-N 3.13Å; K376-H378 PolarHBondContact O-CD2 3.35Å; K376-H378 PolarHBondContact O-N 3.16Å |
| 377 | F | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -81 | 66.2 | 180 | -57.1 | -59 | 0 | 0 | 0 | 109.6 | L348 L351 L355 I374 N379 L380 | L348-F377 HydrophobicContact CB-CZ 4.33Å; L348-F377 HydrophobicContact CD1-CE2 4.11Å; L351-F377 HydrophobicContact CB-CE1 3.8Å; L351-F377 HydrophobicContact CB-CZ 3.85Å; L351-F377 HydrophobicContact CD1-CZ 4.13Å; L355-F377 HydrophobicContact CB-CB 4.48Å; L355-F377 HydrophobicContact CB-CD1 3.8Å; L355-F377 HydrophobicContact CB-CE1 4.28Å; L355-F377 HydrophobicContact CB-CG 4.18Å; L355-F377 HydrophobicContact CD2-CD1 4.05Å; L355-F377 HydrophobicContact CD2-CD2 3.88Å; L355-F377 HydrophobicContact CD2-CE1 4.15Å; L355-F377 HydrophobicContact CD2-CE2 4.01Å; L355-F377 HydrophobicContact CD2-CG 3.92Å; L355-F377 HydrophobicContact CD2-CZ 4.14Å; I374-F377 HydrophobicContact CB-CD2 3.99Å; I374-F377 HydrophobicContact CB-CE2 4.32Å; I374-F377 HydrophobicContact CG2-CD2 4.14Å; I374-F377 HydrophobicContact CG2-CE2 4.03Å; I374-F377 WeakPolarHBondContact O-CD2 3.34Å; I374-F377 PolarHBondContact O-N 3.09Å; I374-F377 VanDerWaalsContact O-N 3.15Å; F377-N379 PolarHBondContact O-N 1.9Å; F377-N379 VanDerWaalsContact O-N 3.15Å; F377-L380 HydrophobicContact CB-CB 4.33Å; F377-L380 WeakPolarHBondContact O-CB 3.5Å; F377-L380 PolarHBondContact O-N 3.33Å | ||
| 378 | H | 87.3 | Confident | 90.8 | Very high | 90 Ų | 90 | 27.5 Ų | 27.5 | 42% | 0.417 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | -174.1 | -59.7 | -55.6 | 0 | 0 | 0 | 113.2 | K375 K376 L380 Y405 | K375-H378 PolarHBondContact O-CE1 2.79Å; K375-H378 VanDerWaalsContact O-CE1 3.25Å; K375-H378 PolarHBondContact O-ND1 3.41Å; K376-H378 PolarHBondContact O-CD2 3.35Å; K376-H378 PolarHBondContact O-N 3.16Å; H378-L380 PolarHBondContact O-N 3.01Å; H378-Y405 WeakPolarHBondContact O-CD2 3.34Å |
| 379 | N | 91.4 | Very high | 90.8 | Very high | 55 Ų | 55 | 31.7 Ų | 31.7 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 9 | 177.6 | -63.4 | -38.4 | 0 | 0 | 0 | 114.4 | N353 L355 F377 Q381 | N353-N379 WeakPolarHBondContact O-CB 3.38Å; N353-N379 PolarHBondContact O-ND2 2.69Å; L355-N379 CarbonylContact O-C 3.41Å; F377-N379 PolarHBondContact O-N 1.9Å; F377-N379 VanDerWaalsContact O-N 3.15Å; N379-Q381 WeakPolarHBondContact O-CG 3.49Å; N379-Q381 PolarHBondContact O-N 2.8Å |
| 380 | L | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -65.2 | 118.3 | -179.9 | -169.3 | 72.2 | 0 | 0 | 0 | 110.4 | L355 L358 F377 H378 L383 Y405 L406 | L355-L380 HydrophobicContact CG-CD1 4.49Å; L355-L380 PolarHBondContact O-N 3.32Å; L358-L380 HydrophobicContact CB-CD1 3.71Å; F377-L380 HydrophobicContact CB-CB 4.33Å; F377-L380 WeakPolarHBondContact O-CB 3.5Å; F377-L380 PolarHBondContact O-N 3.33Å; H378-L380 PolarHBondContact O-N 3.01Å; L380-L383 HydrophobicContact CD2-CB 3.99Å; L380-L383 HydrophobicContact CD2-CD1 4.33Å; L380-L383 HydrophobicContact CD2-CD2 4.22Å; L380-L383 HydrophobicContact CD2-CG 4.41Å; L380-Y405 CarbonylContact O-C 3.49Å; L380-L406 HydrophobicContact CD2-CD1 4.5Å; L380-L406 HydrophobicContact CG-CD1 4.39Å; L380-L406 VanDerWaalsContact O-CA 3.24Å; L380-L406 WeakPolarHBondContact O-CA 3.4Å; L380-L406 PolarHBondContact O-N 3.5Å | ||
| 381 | Q | 94.2 | Very high | 90.8 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 22% | 0.215 | 17% | 0.174 | C | C | . | . | trans | -98.9 | -31.9 | -178.9 | -59.7 | -173.8 | -46.2 | 0 | 0 | 112.4 | K356 N379 K407 E408 D1048 | K356-Q381 HydrophobicContact CB-CG 4.34Å; K356-Q381 HydrophobicContact CG-CG 4.44Å; K356-Q381 WeakPolarHBondContact O-CA 3.42Å; K356-Q381 PolarHBondContact O-N 2.83Å; N379-Q381 WeakPolarHBondContact O-CG 3.49Å; N379-Q381 PolarHBondContact O-N 2.8Å; Q381-K407 PolarHBondContact O-N 2.91Å; Q381-E408 PolarHBondContact O-N 3.29Å; Q381-D1048 PolarHBondContact NE2-OD1 2.66Å | ||
| 382 | L | 95.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.4 | -179.6 | -172.6 | 164.7 | 0 | 0 | 0 | 110.5 | K356 Q357 L358 Y359 E408 | K356-L382 PolarHBondContact O-N 3Å; Q357-L382 WeakPolarHBondContact CA-O 3.45Å; Q357-L382 HydrophobicContact CB-CB 4.35Å; Q357-L382 HydrophobicContact CG-CB 4.08Å; L358-L382 PolarHBondContact N-O 2.77Å; Y359-L382 HydrophobicContact CD1-CD2 4.4Å; Y359-L382 HydrophobicContact CE1-CD2 3.75Å; Y359-L382 HydrophobicContact CE2-CD2 4.25Å; Y359-L382 WeakPolarHBondContact OH-CD1 3.3Å; L382-E408 WeakPolarHBondContact CA-O 3.48Å; L382-E408 HydrophobicContact CB-CB 4.33Å; L382-E408 HydrophobicContact CD1-CB 4.48Å; L382-E408 HydrophobicContact CD1-CG 4.38Å; L382-E408 VanDerWaalsContact CD1-OE2 3.24Å; L382-E408 WeakPolarHBondContact CD1-OE2 3.4Å; L382-E408 HydrophobicContact CG-CB 4.06Å; L382-E408 HydrophobicContact CG-CG 4.11Å |
| 383 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122 | 173 | 179.8 | 52.6 | 0 | 0 | 0 | 110.5 | L358 I374 L380 I385 F399 W403 L406 E408 L409 Q410 | L358-L383 HydrophobicContact CB-CD1 4.27Å; L358-L383 HydrophobicContact CD2-CD1 4.21Å; L358-L383 HydrophobicContact CG-CD1 4.21Å; I374-L383 HydrophobicContact CD1-CD1 4.24Å; I374-L383 HydrophobicContact CD1-CD2 4.04Å; L380-L383 HydrophobicContact CD2-CB 3.99Å; L380-L383 HydrophobicContact CD2-CD1 4.33Å; L380-L383 HydrophobicContact CD2-CD2 4.22Å; L380-L383 HydrophobicContact CD2-CG 4.41Å; L383-I385 HydrophobicContact CD1-CD1 4.39Å; L383-I385 HydrophobicContact CD1-CG1 4.14Å; L383-I385 HydrophobicContact CD2-CD1 4.21Å; L383-I385 HydrophobicContact CG-CD1 4.1Å; L383-I385 HydrophobicContact CG-CG1 4.05Å; L383-F399 HydrophobicContact CD2-CZ 3.86Å; L383-W403 HydrophobicContact CD2-CE3 4.47Å; L383-W403 HydrophobicContact CD2-CH2 4.02Å; L383-W403 HydrophobicContact CD2-CZ2 4.48Å; L383-W403 HydrophobicContact CD2-CZ3 4.02Å; L383-L406 HydrophobicContact CB-CD1 3.86Å; L383-E408 PolarHBondContact N-O 3.09Å; L383-E408 VanDerWaalsContact N-O 3.09Å; L383-L409 HydrophobicContact CB-CD1 4.24Å; L383-L409 HydrophobicContact CG-CD1 4.39Å; L383-Q410 PolarHBondContact O-N 3.02Å |
| 384 | S | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.4 | -175.7 | -175.1 | 0 | 0 | 0 | 0 | 112.8 | L358 Y359 I360 N386 Q410 | L358-S384 PolarHBondContact O-N 2.94Å; Y359-S384 VanDerWaalsContact CD1-CB 3.43Å; I360-S384 PolarHBondContact N-O 2.83Å; S384-N386 PolarHBondContact OG-ND2 2.78Å; S384-Q410 PolarHBondContact OG-OE1 2.96Å |
| 385 | I | 93.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 79.1 | -174.5 | -40.7 | -178 | 0 | 0 | 0 | 108.5 | I360 F368 F370 L383 Q410 T412 I414 | I360-I385 HydrophobicContact CD1-CD1 4.28Å; I360-I385 HydrophobicContact CD1-CG1 4.02Å; I360-I385 HydrophobicContact CD1-CG2 4.35Å; I360-I385 HydrophobicContact CG1-CB 4.42Å; I360-I385 HydrophobicContact CG1-CG1 4.01Å; I360-I385 HydrophobicContact CG1-CG2 4.28Å; F368-I385 HydrophobicContact CE1-CD1 4.43Å; F370-I385 HydrophobicContact CE2-CD1 4.09Å; F370-I385 HydrophobicContact CZ-CD1 4.13Å; F370-I385 HydrophobicContact CZ-CG2 4.39Å; L383-I385 HydrophobicContact CD1-CD1 4.39Å; L383-I385 HydrophobicContact CD1-CG1 4.14Å; L383-I385 HydrophobicContact CD2-CD1 4.21Å; L383-I385 HydrophobicContact CG-CD1 4.1Å; L383-I385 HydrophobicContact CG-CG1 4.05Å; I385-Q410 PolarHBondContact N-O 3.07Å; I385-T412 PolarHBondContact O-N 2.86Å; I385-I414 HydrophobicContact CG2-CG2 4.33Å; I385-I414 WeakPolarHBondContact O-CG2 3.38Å |
| 386 | N | 92.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 139.8 | -173 | -66.2 | -29.4 | 0 | 0 | 0 | 112.3 | G361 F362 S384 N388 Q410 T412 | G361-N386 CarbonylContact C-O 3.55Å; G361-N386 WeakPolarHBondContact CA-O 3.48Å; F362-N386 PolarHBondContact N-O 3.16Å; S384-N386 PolarHBondContact OG-ND2 2.78Å; N386-N388 VanDerWaalsContact C-N 3.34Å; N386-N388 PolarHBondContact O-N 2.99Å; N386-Q410 PolarHBondContact ND2-OE1 2.95Å; N386-T412 CarbonylContact C-O 3.47Å; N386-T412 WeakPolarHBondContact CA-O 3.44Å; N386-T412 WeakPolarHBondContact CB-OG1 3.43Å; N386-T412 WeakPolarHBondContact OD1-CB 3.46Å; N386-T412 PolarHBondContact OD1-N 2.64Å; N386-T412 PolarHBondContact OD1-OG1 3.2Å |
| 387 | S | 93.2 | Very high | 90.1 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | trans | 52 | 38.2 | 168 | -64.8 | 0 | 0 | 0 | 0 | 116.6 | F362 Q389 T412 | F362-S387 WeakPolarHBondContact CA-O 3.27Å; F362-S387 VanDerWaalsContact CD1-CB 3.48Å; S387-Q389 PolarHBondContact O-N 3.49Å; S387-T412 PolarHBondContact N-O 3.28Å | ||
| 388 | N | 91.8 | Very high | 89.4 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | trans | -57.2 | 133.5 | 175.2 | -172 | 68.4 | 0 | 0 | 0 | 110.8 | N363 F365 N386 I390 L392 I414 | N363-N388 PolarHBondContact O-OD1 2.86Å; N363-N388 VanDerWaalsContact O-OD1 3.06Å; F365-N388 WeakPolarHBondContact CD2-OD1 3.28Å; F365-N388 PolarHBondContact N-OD1 2.98Å; F365-N388 PolarHBondContact O-ND2 2.99Å; N386-N388 VanDerWaalsContact C-N 3.34Å; N386-N388 PolarHBondContact O-N 2.99Å; N388-I390 PolarHBondContact ND2-O 3.14Å; N388-I390 PolarHBondContact O-N 2.79Å; N388-I390 VanDerWaalsContact O-N 3.14Å; N388-L392 HydrophobicContact CB-CD1 4.39Å; N388-I414 HydrophobicContact CB-CB 4.28Å; N388-I414 HydrophobicContact CB-CG2 3.93Å | ||
| 389 | Q | 87.2 | Confident | 88.9 | Confident | 107 Ų | 107 | 39.4 Ų | 39.4 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -72.6 | -9.4 | -169.2 | -60.9 | -179 | 32.3 | 0 | 0 | 113.9 | F362 N363 Q364 S387 | F362-Q389 PolarHBondContact O-NE2 3.31Å; N363-Q389 WeakPolarHBondContact O-CB 3.46Å; N363-Q389 WeakPolarHBondContact O-CG 3.39Å; N363-Q389 PolarHBondContact O-N 3.08Å; Q364-Q389 HydrophobicContact CG-CB 4.12Å; Q364-Q389 HydrophobicContact CG-CG 4.34Å; S387-Q389 PolarHBondContact O-N 3.49Å |
| 390 | I | 87.7 | Confident | 87.9 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -119.2 | 140 | 173.9 | -52.7 | 179.4 | 0 | 0 | 0 | 107.8 | Q364 P366 N388 L392 | Q364-I390 WeakPolarHBondContact O-CD1 3.25Å; P366-I390 HydrophobicContact CB-CD1 4.26Å; N388-I390 PolarHBondContact ND2-O 3.14Å; N388-I390 PolarHBondContact O-N 2.79Å; N388-I390 VanDerWaalsContact O-N 3.14Å; I390-L392 PolarHBondContact O-N 3.32Å |
| 391 | S | 88.3 | Confident | 86.7 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 43% | 0.427 | 23% | 0.227 | S | C | . | . | trans | -64.9 | 129.7 | 175.5 | -144.6 | 0 | 0 | 0 | 0 | 109.7 | I414 G415 | S391-I414 WeakPolarHBondContact CA-O 3.46Å; S391-G415 WeakPolarHBondContact OG-CA 3.29Å; S391-G415 PolarHBondContact OG-O 3.24Å | ||
| 392 | L | 89.4 | Confident | 85.8 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | trans | -92 | -9.1 | 178.1 | -67.6 | 176.2 | 0 | 0 | 0 | 113.7 | F365 N367 F368 F370 N388 I390 K394 I414 | F365-L392 HydrophobicContact CB-CD2 4.44Å; F365-L392 WeakPolarHBondContact O-CD2 3.49Å; N367-L392 VanDerWaalsContact CA-CD2 3.44Å; F368-L392 HydrophobicContact CD1-CD1 4.43Å; F368-L392 HydrophobicContact CD2-CB 4.17Å; F368-L392 HydrophobicContact CE1-CD1 4Å; F368-L392 HydrophobicContact CE2-CB 3.62Å; F368-L392 HydrophobicContact CE2-CD1 4.14Å; F368-L392 HydrophobicContact CE2-CG 4.4Å; F368-L392 HydrophobicContact CZ-CB 4.06Å; F368-L392 HydrophobicContact CZ-CD1 3.84Å; F370-L392 HydrophobicContact CE1-CD1 4.38Å; N388-L392 HydrophobicContact CB-CD1 4.39Å; I390-L392 PolarHBondContact O-N 3.32Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-K394 PolarHBondContact O-N 3.08Å; L392-I414 HydrophobicContact CB-CD1 4.23Å; L392-I414 HydrophobicContact CD1-CB 4.38Å; L392-I414 HydrophobicContact CD1-CD1 3.78Å; L392-I414 PolarHBondContact N-O 2.93Å | ||
| 393 | E | 86.4 | Confident | 85.3 | Confident | 131 Ų | 131 | 42.8 Ų | 42.8 | 61% | 0.612 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 62.7 | -65.3 | 170.3 | -59.2 | -176.2 | 172.4 | 0 | 0 | 115.4 | G415 I416 N417 | E393-G415 VanDerWaalsContact CA-O 3.31Å; E393-G415 WeakPolarHBondContact CA-O 3.33Å; E393-G415 PolarHBondContact N-O 3.48Å; E393-I416 CarbonylContact O-C 3.48Å; E393-I416 VanDerWaalsContact O-CA 3.29Å; E393-I416 WeakPolarHBondContact O-CA 3.3Å; E393-N417 PolarHBondContact O-N 3.1Å; E393-N417 PolarHBondContact O-OD1 3.38Å |
| 394 | K | 85.3 | Confident | 84.6 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.5 | -177 | 174.4 | 175.4 | -178.6 | 176.3 | 0 | 111.8 | F368 L392 E397 Y418 | F368-K394 WeakPolarHBondContact CD2-O 3.41Å; F368-K394 VanDerWaalsContact CE2-O 3.25Å; F368-K394 WeakPolarHBondContact CE2-O 3.48Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-K394 PolarHBondContact O-N 3.08Å; K394-E397 WeakPolarHBondContact CE-OE1 3.21Å; K394-E397 IonicContact NZ-OE1 3.77Å; K394-E397 PolarHBondContact NZ-OE1 2.77Å; K394-Y418 HydrophobicContact CD-CD1 3.7Å; K394-Y418 HydrophobicContact CD-CE1 3.9Å; K394-Y418 VanDerWaalsContact CE-CE1 3.47Å; K394-Y418 HydrophobicContact CG-CD1 3.92Å; K394-Y418 HydrophobicContact CG-CE1 4.49Å |
| 395 | L | 88.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -67.9 | 133 | 167.7 | -166.9 | 70.5 | 0 | 0 | 0 | 110 | F368 F399 I411 I416 Y418 I419 P420 I424 | F368-L395 HydrophobicContact CE1-CD1 4.43Å; F368-L395 HydrophobicContact CZ-CD1 4.03Å; L395-F399 HydrophobicContact CD1-CD2 3.96Å; L395-F399 HydrophobicContact CD1-CE2 4.22Å; L395-F399 HydrophobicContact CD1-CG 4.43Å; L395-I411 HydrophobicContact CD1-CD1 3.82Å; L395-I416 HydrophobicContact CB-CD1 4.08Å; L395-I416 HydrophobicContact CD1-CD1 4.01Å; L395-Y418 PolarHBondContact N-O 3.37Å; L395-I419 HydrophobicContact CD2-CG2 4.47Å; L395-P420 WeakPolarHBondContact O-CD 3.38Å; L395-P420 VanDerWaalsContact O-CG 3.26Å; L395-P420 WeakPolarHBondContact O-CG 3.49Å; L395-I424 HydrophobicContact CD2-CD1 4.44Å; L395-I424 HydrophobicContact CD2-CG1 4.24Å | ||
| 396 | P | 86 | Confident | 84.2 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | trans | -75 | 140.9 | -177.3 | 27.8 | -30.2 | 0 | 0 | 0 | 111.8 | F368 I371 S398 F399 | F368-P396 HydrophobicContact CB-CG 4.05Å; F368-P396 HydrophobicContact CD2-CG 4.36Å; F368-P396 HydrophobicContact CG-CG 4.09Å; I371-P396 HydrophobicContact CD1-CG 3.71Å; P396-S398 PolarHBondContact O-N 3.17Å; P396-F399 HydrophobicContact CG-CB 4.32Å; P396-F399 HydrophobicContact CG-CD2 4.17Å; P396-F399 VanDerWaalsContact O-CB 3.29Å; P396-F399 WeakPolarHBondContact O-CB 3.43Å; P396-F399 PolarHBondContact O-N 3.37Å | ||
| 397 | E | 80.1 | Confident | 84.2 | Confident | 113 Ų | 113 | 53.5 Ų | 53.5 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -59.2 | -30.7 | 179.4 | -70.8 | 135.4 | -134.5 | 0 | 0 | 113.1 | K394 F399 P420 | K394-E397 WeakPolarHBondContact CE-OE1 3.21Å; K394-E397 IonicContact NZ-OE1 3.77Å; K394-E397 PolarHBondContact NZ-OE1 2.77Å; E397-F399 VanDerWaalsContact C-N 3.26Å; E397-F399 PolarHBondContact O-N 3.24Å; E397-P420 HydrophobicContact CG-CB 3.97Å; E397-P420 HydrophobicContact CG-CG 3.88Å |
| 398 | S | 74.2 | Confident | 84.3 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 42% | 0.42 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -82.1 | 9.3 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | P396 Q402 | P396-S398 PolarHBondContact O-N 3.17Å; S398-Q402 PolarHBondContact O-NE2 2.95Å |
| 399 | F | 78 | Confident | 84.4 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -67.5 | -41.4 | -175.7 | -165.2 | -76.8 | 0 | 0 | 0 | 112.7 | I371 L383 L395 P396 E397 W403 L406 L409 | I371-F399 HydrophobicContact CD1-CD2 3.53Å; I371-F399 HydrophobicContact CD1-CE2 3.8Å; L383-F399 HydrophobicContact CD2-CZ 3.86Å; L395-F399 HydrophobicContact CD1-CD2 3.96Å; L395-F399 HydrophobicContact CD1-CE2 4.22Å; L395-F399 HydrophobicContact CD1-CG 4.43Å; P396-F399 HydrophobicContact CG-CB 4.32Å; P396-F399 HydrophobicContact CG-CD2 4.17Å; P396-F399 VanDerWaalsContact O-CB 3.29Å; P396-F399 WeakPolarHBondContact O-CB 3.43Å; P396-F399 PolarHBondContact O-N 3.37Å; E397-F399 VanDerWaalsContact C-N 3.26Å; E397-F399 PolarHBondContact O-N 3.24Å; F399-W403 HydrophobicContact CD1-CE3 4.35Å; F399-W403 AromaticContact CD1-CZ3 3.88Å; F399-W403 HydrophobicContact CD1-CZ3 3.88Å; F399-W403 HydrophobicContact CD2-CZ3 4.13Å; F399-W403 HydrophobicContact CE1-CE3 4.13Å; F399-W403 AromaticContact CE1-CZ3 3.67Å; F399-W403 HydrophobicContact CE1-CZ3 3.67Å; F399-W403 HydrophobicContact CE2-CH2 4.43Å; F399-W403 AromaticContact CE2-CZ3 3.95Å; F399-W403 HydrophobicContact CE2-CZ3 3.95Å; F399-W403 HydrophobicContact CG-CZ3 4.08Å; F399-W403 HydrophobicContact CZ-CH2 4.46Å; F399-W403 AromaticContact CZ-CZ3 3.71Å; F399-W403 HydrophobicContact CZ-CZ3 3.71Å; F399-L406 HydrophobicContact CE1-CD2 4.19Å; F399-L409 HydrophobicContact CD1-CD2 4.34Å; F399-L409 HydrophobicContact CE1-CD1 3.81Å; F399-L409 HydrophobicContact CE1-CD2 3.56Å; F399-L409 HydrophobicContact CE1-CG 4.35Å; F399-L409 HydrophobicContact CZ-CD1 3.63Å; F399-L409 HydrophobicContact CZ-CD2 4.09Å |
| 400 | S | 69.1 | Low | 84.8 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -62.1 | -40.1 | 179.2 | 47.3 | 0 | 0 | 0 | 0 | 114.2 | Q402 N422 S423 Q447 | S400-Q402 PolarHBondContact O-N 3.44Å; S400-N422 VanDerWaalsContact CB-O 3.24Å; S400-N422 WeakPolarHBondContact CB-O 3.21Å; S400-N422 PolarHBondContact OG-O 3.38Å; S400-S423 PolarHBondContact N-O 2.88Å; S400-Q447 PolarHBondContact OG-OE1 2.86Å |
| 401 | I | 68.5 | Low | 85.1 | Confident | 128 Ų | 128 | 44.7 Ų | 44.7 | 66% | 0.656 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -68.1 | -20 | -169.4 | -64 | 162.2 | 0 | 0 | 0 | 113.1 | ||
| 402 | Q | 74.7 | Confident | 85.4 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -93.6 | -25.7 | -163.8 | -65.6 | 176.8 | 60.5 | 0 | 0 | 115.1 | I371 S398 S400 | I371-Q402 VanDerWaalsContact CG2-OE1 3.23Å; S398-Q402 PolarHBondContact O-NE2 2.95Å; S400-Q402 PolarHBondContact O-N 3.44Å |
| 403 | W | 85.5 | Confident | 85.7 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | trans | -131.5 | 85.4 | -174 | -53.5 | -68.3 | 0 | 0 | 0 | 111.7 | I371 I374 L383 F399 Y405 L406 | I371-W403 HydrophobicContact CD1-CH2 4.41Å; I371-W403 HydrophobicContact CG1-CH2 4.22Å; I371-W403 HydrophobicContact CG2-CH2 3.8Å; I371-W403 HydrophobicContact CG2-CZ2 4.23Å; I374-W403 HydrophobicContact CB-CZ2 4.43Å; I374-W403 HydrophobicContact CD1-CH2 3.87Å; I374-W403 HydrophobicContact CD1-CZ2 3.59Å; I374-W403 HydrophobicContact CG1-CH2 4.37Å; I374-W403 HydrophobicContact CG1-CZ2 3.77Å; I374-W403 PolarHBondContact O-NE1 3.42Å; L383-W403 HydrophobicContact CD2-CE3 4.47Å; L383-W403 HydrophobicContact CD2-CH2 4.02Å; L383-W403 HydrophobicContact CD2-CZ2 4.48Å; L383-W403 HydrophobicContact CD2-CZ3 4.02Å; F399-W403 HydrophobicContact CD1-CE3 4.35Å; F399-W403 AromaticContact CD1-CZ3 3.88Å; F399-W403 HydrophobicContact CD1-CZ3 3.88Å; F399-W403 HydrophobicContact CD2-CZ3 4.13Å; F399-W403 HydrophobicContact CE1-CE3 4.13Å; F399-W403 AromaticContact CE1-CZ3 3.67Å; F399-W403 HydrophobicContact CE1-CZ3 3.67Å; F399-W403 HydrophobicContact CE2-CH2 4.43Å; F399-W403 AromaticContact CE2-CZ3 3.95Å; F399-W403 HydrophobicContact CE2-CZ3 3.95Å; F399-W403 HydrophobicContact CG-CZ3 4.08Å; F399-W403 HydrophobicContact CZ-CH2 4.46Å; F399-W403 AromaticContact CZ-CZ3 3.71Å; F399-W403 HydrophobicContact CZ-CZ3 3.71Å; W403-Y405 PolarHBondContact O-N 3.14Å; W403-L406 HydrophobicContact CB-CB 3.8Å; W403-L406 HydrophobicContact CE3-CD2 4.27Å; W403-L406 WeakPolarHBondContact O-CB 3.42Å; W403-L406 PolarHBondContact O-N 2.71Å | ||
| 404 | P | 81.6 | Confident | 86 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 40% | 0.403 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17 | -177.7 | 28.2 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 405 | Y | 87.9 | Confident | 86.3 | Confident | 138 Ų | 138 | 35 Ų | 35 | 54% | 0.541 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7.7 | 178.8 | -60.1 | -63.1 | 0 | 0 | 0 | 114 | H378 L380 W403 K407 | H378-Y405 WeakPolarHBondContact O-CD2 3.34Å; L380-Y405 CarbonylContact O-C 3.49Å; W403-Y405 PolarHBondContact O-N 3.14Å; Y405-K407 WeakPolarHBondContact O-CG 3.23Å; Y405-K407 PolarHBondContact O-N 3.07Å |
| 406 | L | 91.7 | Very high | 86.5 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | trans | -72.3 | 120.1 | 179.3 | -172.6 | 71.4 | 0 | 0 | 0 | 110.7 | L380 L383 F399 W403 L409 L428 | L380-L406 HydrophobicContact CD2-CD1 4.5Å; L380-L406 HydrophobicContact CG-CD1 4.39Å; L380-L406 VanDerWaalsContact O-CA 3.24Å; L380-L406 WeakPolarHBondContact O-CA 3.4Å; L380-L406 PolarHBondContact O-N 3.5Å; L383-L406 HydrophobicContact CB-CD1 3.86Å; F399-L406 HydrophobicContact CE1-CD2 4.19Å; W403-L406 HydrophobicContact CB-CB 3.8Å; W403-L406 HydrophobicContact CE3-CD2 4.27Å; W403-L406 WeakPolarHBondContact O-CB 3.42Å; W403-L406 PolarHBondContact O-N 2.71Å; L406-L409 HydrophobicContact CD2-CD1 4.46Å; L406-L428 HydrophobicContact CD2-CD1 4.26Å; L406-L428 HydrophobicContact CG-CD1 4.01Å | ||
| 407 | K | 93.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | trans | -110.1 | -35.9 | -175.9 | -52.3 | -171.9 | -179.8 | 179.5 | 0 | 112.3 | Q381 Y405 L428 Q429 I430 D1048 L1049 | Q381-K407 PolarHBondContact O-N 2.91Å; Y405-K407 WeakPolarHBondContact O-CG 3.23Å; Y405-K407 PolarHBondContact O-N 3.07Å; K407-L428 VanDerWaalsContact C-CD1 3.48Å; K407-L428 WeakPolarHBondContact O-CD1 3.5Å; K407-Q429 HydrophobicContact CB-CG 4.48Å; K407-Q429 WeakPolarHBondContact O-CA 3.39Å; K407-Q429 PolarHBondContact O-N 2.92Å; K407-I430 PolarHBondContact O-N 2.85Å; K407-D1048 IonicContact NZ-OD1 3.65Å; K407-D1048 PolarHBondContact NZ-OD1 2.6Å; K407-D1048 IonicContact NZ-OD2 3.83Å; K407-D1048 PolarHBondContact NZ-OD2 3.24Å; K407-L1049 HydrophobicContact CB-CD2 4.17Å; K407-L1049 HydrophobicContact CD-CD1 4.03Å; K407-L1049 HydrophobicContact CD-CD2 3.8Å; K407-L1049 HydrophobicContact CD-CG 3.91Å | ||
| 408 | E | 95.4 | Very high | 87.4 | Confident | 9 Ų | 9 | 33.1 Ų | 33.1 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.6 | -179.7 | -176.4 | -179.3 | 157.2 | 0 | 0 | 110.8 | Q381 L382 L383 Q410 I430 | Q381-E408 PolarHBondContact O-N 3.29Å; L382-E408 WeakPolarHBondContact CA-O 3.48Å; L382-E408 HydrophobicContact CB-CB 4.33Å; L382-E408 HydrophobicContact CD1-CB 4.48Å; L382-E408 HydrophobicContact CD1-CG 4.38Å; L382-E408 VanDerWaalsContact CD1-OE2 3.24Å; L382-E408 WeakPolarHBondContact CD1-OE2 3.4Å; L382-E408 HydrophobicContact CG-CB 4.06Å; L382-E408 HydrophobicContact CG-CG 4.11Å; L383-E408 PolarHBondContact N-O 3.09Å; L383-E408 VanDerWaalsContact N-O 3.09Å; E408-Q410 HydrophobicContact CG-CG 4.34Å; E408-Q410 WeakPolarHBondContact OE1-CG 3.32Å; E408-Q410 PolarHBondContact OE1-NE2 3.13Å; E408-I430 WeakPolarHBondContact CA-O 3.32Å; E408-I430 HydrophobicContact CB-CB 4.26Å; E408-I430 HydrophobicContact CG-CB 4.04Å; E408-I430 HydrophobicContact CG-CG2 4.06Å |
| 409 | L | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 106.9 | 177.4 | -179.3 | 57.1 | 0 | 0 | 0 | 109.8 | L383 F399 L406 I411 L428 I430 L431 H432 | L383-L409 HydrophobicContact CB-CD1 4.24Å; L383-L409 HydrophobicContact CG-CD1 4.39Å; F399-L409 HydrophobicContact CD1-CD2 4.34Å; F399-L409 HydrophobicContact CE1-CD1 3.81Å; F399-L409 HydrophobicContact CE1-CD2 3.56Å; F399-L409 HydrophobicContact CE1-CG 4.35Å; F399-L409 HydrophobicContact CZ-CD1 3.63Å; F399-L409 HydrophobicContact CZ-CD2 4.09Å; L406-L409 HydrophobicContact CD2-CD1 4.46Å; L409-I411 HydrophobicContact CD1-CD1 3.85Å; L409-I411 HydrophobicContact CD1-CG1 3.82Å; L409-I411 HydrophobicContact CD2-CD1 3.88Å; L409-I411 HydrophobicContact CG-CD1 3.83Å; L409-I411 HydrophobicContact CG-CG1 3.92Å; L409-L428 HydrophobicContact CB-CD1 3.72Å; L409-L428 HydrophobicContact CB-CD2 3.88Å; L409-L428 HydrophobicContact CB-CG 4.44Å; L409-L428 HydrophobicContact CD2-CD2 4.32Å; L409-I430 PolarHBondContact N-O 2.71Å; L409-L431 HydrophobicContact CB-CD1 4.19Å; L409-L431 HydrophobicContact CD2-CD1 4.09Å; L409-L431 HydrophobicContact CG-CD1 4.2Å; L409-H432 PolarHBondContact O-N 2.81Å |
| 410 | Q | 95.6 | Very high | 88.8 | Confident | 34 Ų | 34 | 30.1 Ų | 30.1 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 112.7 | 174.2 | -56.4 | 179.9 | -0.5 | 0 | 0 | 109.8 | L383 S384 I385 N386 E408 | L383-Q410 PolarHBondContact O-N 3.02Å; S384-Q410 PolarHBondContact OG-OE1 2.96Å; I385-Q410 PolarHBondContact N-O 3.07Å; N386-Q410 PolarHBondContact ND2-OE1 2.95Å; E408-Q410 HydrophobicContact CG-CG 4.34Å; E408-Q410 WeakPolarHBondContact OE1-CG 3.32Å; E408-Q410 PolarHBondContact OE1-NE2 3.13Å |
| 411 | I | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 91.7 | 175 | -62.5 | 178.7 | 0 | 0 | 0 | 108.2 | L395 L409 I414 I416 H432 L433 N436 | L395-I411 HydrophobicContact CD1-CD1 3.82Å; L409-I411 HydrophobicContact CD1-CD1 3.85Å; L409-I411 HydrophobicContact CD1-CG1 3.82Å; L409-I411 HydrophobicContact CD2-CD1 3.88Å; L409-I411 HydrophobicContact CG-CD1 3.83Å; L409-I411 HydrophobicContact CG-CG1 3.92Å; I411-I414 HydrophobicContact CG2-CD1 3.35Å; I411-I414 HydrophobicContact CG2-CG1 3.58Å; I411-I416 HydrophobicContact CG2-CD1 3.81Å; I411-H432 CarbonylContact C-O 3.54Å; I411-H432 PolarHBondContact N-O 3.43Å; I411-H432 VanDerWaalsContact O-O 3.09Å; I411-L433 CarbonylContact O-C 3.49Å; I411-L433 WeakPolarHBondContact O-CA 3.3Å; I411-N436 PolarHBondContact O-ND2 3.5Å |
| 412 | T | 94.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.141 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.3 | -176.7 | 69 | 0 | 0 | 0 | 0 | 113.4 | I385 N386 S387 I414 H432 S434 | I385-T412 PolarHBondContact O-N 2.86Å; N386-T412 CarbonylContact C-O 3.47Å; N386-T412 WeakPolarHBondContact CA-O 3.44Å; N386-T412 WeakPolarHBondContact CB-OG1 3.43Å; N386-T412 WeakPolarHBondContact OD1-CB 3.46Å; N386-T412 PolarHBondContact OD1-N 2.64Å; N386-T412 PolarHBondContact OD1-OG1 3.2Å; S387-T412 PolarHBondContact N-O 3.28Å; T412-I414 WeakPolarHBondContact O-CG2 3.3Å; T412-I414 PolarHBondContact O-N 2.8Å; T412-H432 HydrophobicContact CG2-CB 4.18Å; T412-S434 CarbonylContact C-O 3.58Å; T412-S434 WeakPolarHBondContact CA-O 3.3Å; T412-S434 WeakPolarHBondContact CB-O 3.22Å |
| 413 | S | 94.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 28% | 0.28 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 54.1 | 29.5 | 172 | -133.6 | 0 | 0 | 0 | 0 | 115.4 | S434 E435 | S413-S434 PolarHBondContact N-O 2.8Å; S413-E435 VanDerWaalsContact CB-OE2 3.3Å; S413-E435 WeakPolarHBondContact CB-OE2 3.37Å; S413-E435 WeakPolarHBondContact OG-CB 3.43Å; S413-E435 PolarHBondContact OG-OE2 2.79Å |
| 414 | I | 93.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -95.8 | -2.4 | 179.1 | 66.1 | 157.7 | 0 | 0 | 0 | 114.2 | F368 I385 N388 S391 L392 I411 T412 I416 N436 | F368-I414 HydrophobicContact CE1-CD1 4.48Å; F368-I414 HydrophobicContact CZ-CD1 3.79Å; I385-I414 HydrophobicContact CG2-CG2 4.33Å; I385-I414 WeakPolarHBondContact O-CG2 3.38Å; N388-I414 HydrophobicContact CB-CB 4.28Å; N388-I414 HydrophobicContact CB-CG2 3.93Å; S391-I414 WeakPolarHBondContact CA-O 3.46Å; L392-I414 HydrophobicContact CB-CD1 4.23Å; L392-I414 HydrophobicContact CD1-CB 4.38Å; L392-I414 HydrophobicContact CD1-CD1 3.78Å; L392-I414 PolarHBondContact N-O 2.93Å; I411-I414 HydrophobicContact CG2-CD1 3.35Å; I411-I414 HydrophobicContact CG2-CG1 3.58Å; T412-I414 WeakPolarHBondContact O-CG2 3.3Å; T412-I414 PolarHBondContact O-N 2.8Å; I414-I416 HydrophobicContact CD1-CD1 3.69Å; I414-I416 HydrophobicContact CD1-CG1 3.78Å; I414-I416 HydrophobicContact CG1-CD1 4.23Å; I414-I416 HydrophobicContact CG1-CG1 4.04Å; I414-N436 WeakPolarHBondContact CG1-OD1 3.32Å; I414-N436 PolarHBondContact N-OD1 3.04Å |
| 415 | G | 92 | Very high | 91.5 | Very high | 12 Ų | 12 | 26.6 Ų | 26.6 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | trans | 74.9 | 38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | S391 E393 N436 | S391-G415 WeakPolarHBondContact OG-CA 3.29Å; S391-G415 PolarHBondContact OG-O 3.24Å; E393-G415 VanDerWaalsContact CA-O 3.31Å; E393-G415 WeakPolarHBondContact CA-O 3.33Å; E393-G415 PolarHBondContact N-O 3.48Å; G415-N436 PolarHBondContact N-OD1 3.46Å; G415-N436 VanDerWaalsContact N-OD1 3.08Å | ||
| 416 | I | 92.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 137.5 | 160.1 | -70.4 | 170.6 | 0 | 0 | 0 | 108.7 | F368 E393 L395 I411 I414 Y418 I419 N436 P437 L438 | F368-I416 HydrophobicContact CZ-CD1 4.31Å; E393-I416 CarbonylContact O-C 3.48Å; E393-I416 VanDerWaalsContact O-CA 3.29Å; E393-I416 WeakPolarHBondContact O-CA 3.3Å; L395-I416 HydrophobicContact CB-CD1 4.08Å; L395-I416 HydrophobicContact CD1-CD1 4.01Å; I411-I416 HydrophobicContact CG2-CD1 3.81Å; I414-I416 HydrophobicContact CD1-CD1 3.69Å; I414-I416 HydrophobicContact CD1-CG1 3.78Å; I414-I416 HydrophobicContact CG1-CD1 4.23Å; I414-I416 HydrophobicContact CG1-CG1 4.04Å; I416-Y418 WeakPolarHBondContact CG2-O 3.24Å; I416-I419 HydrophobicContact CG2-CG1 4.37Å; I416-N436 HydrophobicContact CB-CB 4.48Å; I416-N436 PolarHBondContact N-OD1 3.49Å; I416-P437 CarbonylContact O-C 3.5Å; I416-P437 WeakPolarHBondContact O-CD 3.34Å; I416-L438 HydrophobicContact CB-CD2 4.27Å; I416-L438 HydrophobicContact CG2-CD2 3.69Å |
| 417 | N | 93.3 | Very high | 91.1 | Very high | 55 Ų | 55 | 23.9 Ų | 23.9 | 29% | 0.294 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -12.9 | 164.9 | 73.4 | -24.5 | 0 | 0 | 0 | 114.5 | E393 P437 E439 L440 | E393-N417 PolarHBondContact O-N 3.1Å; E393-N417 PolarHBondContact O-OD1 3.38Å; N417-P437 VanDerWaalsContact CA-O 3.29Å; N417-P437 WeakPolarHBondContact CA-O 3.47Å; N417-P437 VanDerWaalsContact CB-O 3.25Å; N417-P437 WeakPolarHBondContact CB-O 3.46Å; N417-E439 HydrophobicContact CB-CB 4.32Å; N417-E439 HydrophobicContact CB-CG 4.25Å; N417-E439 PolarHBondContact ND2-OE2 2.84Å; N417-E439 PolarHBondContact O-N 3.03Å; N417-L440 PolarHBondContact O-N 3.4Å |
| 418 | Y | 92 | Very high | 91.1 | Very high | 48 Ų | 48 | 22.9 Ų | 22.9 | 19% | 0.188 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.7 | -176.3 | 171.6 | -135.3 | 0 | 0 | 0 | 113.7 | K394 L395 I416 P420 L440 E475 | K394-Y418 HydrophobicContact CD-CD1 3.7Å; K394-Y418 HydrophobicContact CD-CE1 3.9Å; K394-Y418 VanDerWaalsContact CE-CE1 3.47Å; K394-Y418 HydrophobicContact CG-CD1 3.92Å; K394-Y418 HydrophobicContact CG-CE1 4.49Å; L395-Y418 PolarHBondContact N-O 3.37Å; I416-Y418 WeakPolarHBondContact CG2-O 3.24Å; Y418-P420 HydrophobicContact CE1-CB 3.91Å; Y418-P420 HydrophobicContact CE2-CB 4.32Å; Y418-P420 WeakPolarHBondContact OH-CB 3.17Å; Y418-L440 WeakPolarHBondContact CA-O 2.93Å; Y418-L440 HydrophobicContact CD2-CB 3.63Å; Y418-L440 HydrophobicContact CE2-CB 4.4Å; Y418-L440 HydrophobicContact CG-CB 4.27Å; Y418-E475 HydrophobicContact CE2-CG 4.25Å; Y418-E475 WeakPolarHBondContact CE2-OE1 3.44Å; Y418-E475 VanDerWaalsContact CZ-OE1 3.22Å; Y418-E475 PolarHBondContact OH-OE1 3Å |
| 419 | I | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.3 | 173.1 | -58 | -175.1 | 0 | 0 | 0 | 109.2 | L395 I416 L433 L438 L440 F441 N442 W445 | L395-I419 HydrophobicContact CD2-CG2 4.47Å; I416-I419 HydrophobicContact CG2-CG1 4.37Å; I419-L433 HydrophobicContact CD1-CD1 3.59Å; I419-L433 HydrophobicContact CD1-CD2 3.91Å; I419-L433 HydrophobicContact CD1-CG 4.39Å; I419-L438 HydrophobicContact CD1-CD1 4.2Å; I419-L438 HydrophobicContact CD1-CD2 4.36Å; I419-L438 HydrophobicContact CG1-CD2 4.29Å; I419-L440 PolarHBondContact N-O 2.92Å; I419-F441 HydrophobicContact CB-CD1 4.45Å; I419-F441 HydrophobicContact CD1-CE1 3.93Å; I419-F441 HydrophobicContact CD1-CE2 4.32Å; I419-F441 HydrophobicContact CD1-CZ 3.78Å; I419-N442 PolarHBondContact O-N 3.21Å; I419-W445 HydrophobicContact CG2-CB 4.08Å |
| 420 | P | 89.3 | Confident | 91.1 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.013 | 13% | 0.129 | C | C | . | . | trans | -85.4 | 170.6 | -176.2 | 34.3 | -34.8 | 0 | 0 | 0 | 113.7 | L395 E397 Y418 S423 | L395-P420 WeakPolarHBondContact O-CD 3.38Å; L395-P420 VanDerWaalsContact O-CG 3.26Å; L395-P420 WeakPolarHBondContact O-CG 3.49Å; E397-P420 HydrophobicContact CG-CB 3.97Å; E397-P420 HydrophobicContact CG-CG 3.88Å; Y418-P420 HydrophobicContact CE1-CB 3.91Å; Y418-P420 HydrophobicContact CE2-CB 4.32Å; Y418-P420 WeakPolarHBondContact OH-CB 3.17Å; P420-S423 WeakPolarHBondContact O-CB 3.4Å; P420-S423 PolarHBondContact O-N 2.86Å; P420-S423 PolarHBondContact O-OG 3.44Å | ||
| 421 | M | 87.5 | Confident | 91.1 | Very high | 93 Ų | 93 | 23 Ų | 23 | 46% | 0.458 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 141.4 | 174.7 | -166.3 | 179.8 | -176.6 | 0 | 0 | 112.8 | S423 N442 H444 | M421-S423 PolarHBondContact O-N 3.43Å; M421-N442 WeakPolarHBondContact CA-OD1 3.26Å; M421-N442 HydrophobicContact CB-CB 4.32Å; M421-N442 WeakPolarHBondContact CB-OD1 3.37Å; M421-N442 WeakPolarHBondContact CG-OD1 3.38Å; M421-N442 VanDerWaalsContact N-CB 3.3Å; M421-H444 WeakPolarHBondContact CA-O 3.43Å; M421-H444 HydrophobicContact CE-CB 4.08Å; M421-H444 HydrophobicContact CG-CB 4.09Å |
| 422 | N | 85.5 | Confident | 91.2 | Very high | 54 Ų | 54 | 24.7 Ų | 24.7 | 29% | 0.289 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 14.4 | 174.2 | -65.9 | -22.5 | 0 | 0 | 0 | 116.1 | S400 I424 H444 Q447 | S400-N422 VanDerWaalsContact CB-O 3.24Å; S400-N422 WeakPolarHBondContact CB-O 3.21Å; S400-N422 PolarHBondContact OG-O 3.38Å; N422-I424 VanDerWaalsContact C-N 3.32Å; N422-I424 PolarHBondContact O-N 3.39Å; N422-H444 PolarHBondContact N-O 2.81Å; N422-H444 PolarHBondContact OD1-O 3.16Å; N422-Q447 HydrophobicContact CB-CB 4.19Å; N422-Q447 HydrophobicContact CB-CG 4.46Å; N422-Q447 WeakPolarHBondContact OD1-CA 3.42Å |
| 423 | S | 87.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -74.6 | -18.6 | -173.3 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | S400 P420 M421 W445 | S400-S423 PolarHBondContact N-O 2.88Å; P420-S423 WeakPolarHBondContact O-CB 3.4Å; P420-S423 PolarHBondContact O-N 2.86Å; P420-S423 PolarHBondContact O-OG 3.44Å; M421-S423 PolarHBondContact O-N 3.43Å; S423-W445 PolarHBondContact N-O 3.15Å; S423-W445 VanDerWaalsContact N-O 3.16Å | ||
| 424 | I | 89.2 | Confident | 91.3 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -115 | 134.8 | 180 | -65 | -174.4 | 0 | 0 | 0 | 110.9 | L395 N422 L428 L431 W445 I446 Q447 | L395-I424 HydrophobicContact CD2-CD1 4.44Å; L395-I424 HydrophobicContact CD2-CG1 4.24Å; N422-I424 VanDerWaalsContact C-N 3.32Å; N422-I424 PolarHBondContact O-N 3.39Å; I424-L428 HydrophobicContact CG2-CB 4.36Å; I424-L428 HydrophobicContact CG2-CD2 3.68Å; I424-L431 HydrophobicContact CD1-CD1 4.02Å; I424-L431 HydrophobicContact CD1-CD2 3.64Å; I424-W445 HydrophobicContact CB-CE3 4.19Å; I424-W445 HydrophobicContact CB-CZ3 4.31Å; I424-W445 HydrophobicContact CD1-CE3 3.92Å; I424-W445 HydrophobicContact CD1-CZ3 3.82Å; I424-W445 HydrophobicContact CG1-CE3 4.39Å; I424-W445 HydrophobicContact CG2-CZ3 4.3Å; I424-W445 PolarHBondContact N-O 3.27Å; I424-I446 WeakPolarHBondContact O-CA 3.19Å; I424-Q447 PolarHBondContact O-N 2.99Å |
| 425 | S | 85.8 | Confident | 91.4 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | trans | -70.6 | 141.6 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | H427 L428 | S425-H427 PolarHBondContact O-N 2.88Å; S425-H427 PolarHBondContact OG-N 2.86Å; S425-H427 PolarHBondContact OG-ND1 3.07Å; S425-L428 WeakPolarHBondContact O-CB 3.12Å; S425-L428 PolarHBondContact O-N 3.5Å | ||
| 426 | N | 86 | Confident | 91.5 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12 | 173 | 63.4 | -27 | 0 | 0 | 0 | 114.3 | I446 Q447 V457 Q458 | N426-I446 HydrophobicContact CB-CG2 4.14Å; N426-Q447 WeakPolarHBondContact CB-O 3.26Å; N426-V457 HydrophobicContact CB-CG2 4.29Å; N426-Q458 PolarHBondContact O-N 2.95Å |
| 427 | H | 86.8 | Confident | 91.5 | Very high | 80 Ų | 80 | 30.4 Ų | 30.4 | 37% | 0.37 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -10.1 | 174.3 | -59.4 | 80.9 | 0 | 0 | 0 | 113.2 | S425 | S425-H427 PolarHBondContact O-N 2.88Å; S425-H427 PolarHBondContact OG-N 2.86Å; S425-H427 PolarHBondContact OG-ND1 3.07Å |
| 428 | L | 92.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -68.4 | 137 | 178.9 | -166.5 | 76.8 | 0 | 0 | 0 | 110.3 | L406 K407 L409 I424 S425 L431 Q458 L459 | L406-L428 HydrophobicContact CD2-CD1 4.26Å; L406-L428 HydrophobicContact CG-CD1 4.01Å; K407-L428 VanDerWaalsContact C-CD1 3.48Å; K407-L428 WeakPolarHBondContact O-CD1 3.5Å; L409-L428 HydrophobicContact CB-CD1 3.72Å; L409-L428 HydrophobicContact CB-CD2 3.88Å; L409-L428 HydrophobicContact CB-CG 4.44Å; L409-L428 HydrophobicContact CD2-CD2 4.32Å; I424-L428 HydrophobicContact CG2-CB 4.36Å; I424-L428 HydrophobicContact CG2-CD2 3.68Å; S425-L428 WeakPolarHBondContact O-CB 3.12Å; S425-L428 PolarHBondContact O-N 3.5Å; L428-L431 HydrophobicContact CD2-CB 3.9Å; L428-L431 HydrophobicContact CD2-CD1 3.98Å; L428-L431 HydrophobicContact CD2-CD2 4.48Å; L428-L431 HydrophobicContact CD2-CG 4.33Å; L428-Q458 CarbonylContact O-C 3.08Å; L428-Q458 VanDerWaalsContact O-C 3.25Å; L428-L459 HydrophobicContact CB-CD1 4.43Å; L428-L459 HydrophobicContact CD2-CD1 4.09Å; L428-L459 HydrophobicContact CG-CD1 4.19Å; L428-L459 VanDerWaalsContact O-CA 3.22Å; L428-L459 WeakPolarHBondContact O-CA 3.4Å; L428-L459 PolarHBondContact O-N 3.38Å; L428-L459 VanDerWaalsContact O-N 3.11Å | ||
| 429 | Q | 94.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | trans | -111.3 | -35.9 | -174.7 | -60.8 | -175.5 | -13.2 | 0 | 0 | 112.9 | K407 Q458 N460 E461 | K407-Q429 HydrophobicContact CB-CG 4.48Å; K407-Q429 WeakPolarHBondContact O-CA 3.39Å; K407-Q429 PolarHBondContact O-N 2.92Å; Q429-Q458 WeakPolarHBondContact CA-O 3.42Å; Q429-Q458 HydrophobicContact CG-CB 4.03Å; Q429-Q458 VanDerWaalsContact NE2-OE1 3.11Å; Q429-N460 PolarHBondContact O-N 2.96Å; Q429-E461 PolarHBondContact O-N 2.84Å | ||
| 430 | I | 95.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.4 | -178.5 | -55.3 | 177.7 | 0 | 0 | 0 | 109.1 | K407 E408 L409 H432 E461 | K407-I430 PolarHBondContact O-N 2.85Å; E408-I430 WeakPolarHBondContact CA-O 3.32Å; E408-I430 HydrophobicContact CB-CB 4.26Å; E408-I430 HydrophobicContact CG-CB 4.04Å; E408-I430 HydrophobicContact CG-CG2 4.06Å; L409-I430 PolarHBondContact N-O 2.71Å; I430-H432 VanDerWaalsContact CG2-NE2 3.31Å; I430-H432 WeakPolarHBondContact CG2-NE2 3.3Å; I430-E461 HydrophobicContact CB-CB 4.41Å; I430-E461 HydrophobicContact CG1-CB 4.19Å; I430-E461 HydrophobicContact CG1-CG 4.16Å; I430-E461 HydrophobicContact CG2-CB 4.2Å |
| 431 | L | 96 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 118.6 | 179.7 | 178.8 | 58.9 | 0 | 0 | 0 | 111.9 | L409 I424 L428 L433 W445 L459 E461 L462 H463 | L409-L431 HydrophobicContact CB-CD1 4.19Å; L409-L431 HydrophobicContact CD2-CD1 4.09Å; L409-L431 HydrophobicContact CG-CD1 4.2Å; I424-L431 HydrophobicContact CD1-CD1 4.02Å; I424-L431 HydrophobicContact CD1-CD2 3.64Å; L428-L431 HydrophobicContact CD2-CB 3.9Å; L428-L431 HydrophobicContact CD2-CD1 3.98Å; L428-L431 HydrophobicContact CD2-CD2 4.48Å; L428-L431 HydrophobicContact CD2-CG 4.33Å; L431-L433 HydrophobicContact CD1-CD2 4.1Å; L431-L433 HydrophobicContact CD1-CG 4.11Å; L431-L433 HydrophobicContact CD2-CD1 4.09Å; L431-L433 HydrophobicContact CD2-CG 4.37Å; L431-L433 HydrophobicContact CG-CD1 4.29Å; L431-L433 HydrophobicContact CG-CG 4.04Å; L431-W445 HydrophobicContact CD2-CH2 3.98Å; L431-W445 HydrophobicContact CD2-CZ3 3.64Å; L431-L459 HydrophobicContact CB-CD1 3.69Å; L431-L459 HydrophobicContact CB-CD2 4.43Å; L431-L459 HydrophobicContact CD2-CD2 4.41Å; L431-E461 PolarHBondContact N-O 3Å; L431-L462 HydrophobicContact CB-CD1 4.12Å; L431-L462 HydrophobicContact CD2-CD1 3.92Å; L431-L462 HydrophobicContact CG-CD1 4.02Å; L431-L462 WeakPolarHBondContact O-CA 3.49Å; L431-H463 PolarHBondContact O-N 2.99Å |
| 432 | H | 96.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 28.7 Ų | 28.7 | 17% | 0.171 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.7 | 170.3 | -49.9 | -104.9 | 0 | 0 | 0 | 110.4 | L409 I411 T412 I430 H463 | L409-H432 PolarHBondContact O-N 2.81Å; I411-H432 CarbonylContact C-O 3.54Å; I411-H432 PolarHBondContact N-O 3.43Å; I411-H432 VanDerWaalsContact O-O 3.09Å; T412-H432 HydrophobicContact CG2-CB 4.18Å; I430-H432 VanDerWaalsContact CG2-NE2 3.31Å; I430-H432 WeakPolarHBondContact CG2-NE2 3.3Å; H432-H463 HydrophobicContact CB-CB 4.28Å; H432-H463 AromaticContact CE1-CD2 3.25Å; H432-H463 PolarHBondContact CE1-CD2 3.14Å; H432-H463 AromaticContact CE1-CE1 3.94Å; H432-H463 AromaticContact CE1-CG 3.75Å; H432-H463 AromaticContact CE1-NE2 3.39Å; H432-H463 PolarHBondContact CE1-NE2 2.78Å; H432-H463 AromaticContact CG-CD2 3.93Å; H432-H463 AromaticContact ND1-CD2 3.19Å; H432-H463 PolarHBondContact ND1-CD2 2.93Å; H432-H463 AromaticContact ND1-CG 3.31Å; H432-H463 VanDerWaalsContact ND1-CG 3.31Å; H432-H463 AromaticContact ND1-ND1 3.93Å; H432-H463 AromaticContact ND1-NE2 3.78Å; H432-H463 AromaticContact NE2-CD2 4Å |
| 433 | L | 95.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -115.6 | 7.9 | 175.6 | -66 | 170.2 | 0 | 0 | 0 | 112.5 | I411 I419 L431 N436 L438 F441 H463 L464 I467 | I411-L433 CarbonylContact O-C 3.49Å; I411-L433 WeakPolarHBondContact O-CA 3.3Å; I419-L433 HydrophobicContact CD1-CD1 3.59Å; I419-L433 HydrophobicContact CD1-CD2 3.91Å; I419-L433 HydrophobicContact CD1-CG 4.39Å; L431-L433 HydrophobicContact CD1-CD2 4.1Å; L431-L433 HydrophobicContact CD1-CG 4.11Å; L431-L433 HydrophobicContact CD2-CD1 4.09Å; L431-L433 HydrophobicContact CD2-CG 4.37Å; L431-L433 HydrophobicContact CG-CD1 4.29Å; L431-L433 HydrophobicContact CG-CG 4.04Å; L433-N436 WeakPolarHBondContact O-CB 3.38Å; L433-N436 PolarHBondContact O-N 2.95Å; L433-N436 PolarHBondContact O-ND2 3.46Å; L433-L438 HydrophobicContact CB-CD1 4.44Å; L433-L438 HydrophobicContact CD1-CD1 4.45Å; L433-F441 HydrophobicContact CD1-CZ 4.41Å; L433-H463 PolarHBondContact N-O 3.01Å; L433-L464 HydrophobicContact CB-CD2 4.22Å; L433-L464 HydrophobicContact CD1-CD2 3.98Å; L433-I467 HydrophobicContact CB-CD1 4.22Å; L433-I467 WeakPolarHBondContact O-CD1 3.3Å | ||
| 434 | S | 95.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | 146.9 | -169.3 | -51.2 | 0 | 0 | 0 | 0 | 115.1 | T412 S413 N436 N465 | T412-S434 CarbonylContact C-O 3.58Å; T412-S434 WeakPolarHBondContact CA-O 3.3Å; T412-S434 WeakPolarHBondContact CB-O 3.22Å; S413-S434 PolarHBondContact N-O 2.8Å; S434-N436 PolarHBondContact O-N 3.49Å; S434-N436 VanDerWaalsContact O-N 3.09Å; S434-N436 PolarHBondContact O-ND2 3.08Å; S434-N465 CarbonylContact C-O 3.58Å; S434-N465 VanDerWaalsContact CA-O 3.24Å; S434-N465 WeakPolarHBondContact CA-O 3.42Å; S434-N465 WeakPolarHBondContact CB-O 3.25Å |
| 435 | E | 94.7 | Very high | 91.1 | Very high | 105 Ų | 105 | 33.3 Ų | 33.3 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 4.9 | -179 | -55.9 | -165.4 | 166.1 | 0 | 0 | 116.8 | S413 N465 | S413-E435 VanDerWaalsContact CB-OE2 3.3Å; S413-E435 WeakPolarHBondContact CB-OE2 3.37Å; S413-E435 WeakPolarHBondContact OG-CB 3.43Å; S413-E435 PolarHBondContact OG-OE2 2.79Å; E435-N465 PolarHBondContact N-O 3.32Å |
| 436 | N | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 17% | 0.166 | C | C | . | . | trans | -77.7 | 138.4 | 172.4 | -70.2 | -72.3 | 0 | 0 | 0 | 111.6 | I411 I414 G415 I416 L433 S434 L438 | I411-N436 PolarHBondContact O-ND2 3.5Å; I414-N436 WeakPolarHBondContact CG1-OD1 3.32Å; I414-N436 PolarHBondContact N-OD1 3.04Å; G415-N436 PolarHBondContact N-OD1 3.46Å; G415-N436 VanDerWaalsContact N-OD1 3.08Å; I416-N436 HydrophobicContact CB-CB 4.48Å; I416-N436 PolarHBondContact N-OD1 3.49Å; L433-N436 WeakPolarHBondContact O-CB 3.38Å; L433-N436 PolarHBondContact O-N 2.95Å; L433-N436 PolarHBondContact O-ND2 3.46Å; S434-N436 PolarHBondContact O-N 3.49Å; S434-N436 VanDerWaalsContact O-N 3.09Å; S434-N436 PolarHBondContact O-ND2 3.08Å; N436-L438 HydrophobicContact CB-CD2 4Å; N436-L438 HydrophobicContact CB-CG 4.12Å; N436-L438 PolarHBondContact O-N 3.05Å | ||
| 437 | P | 92.8 | Very high | 90.4 | Very high | 73 Ų | 73 | 34.5 Ų | 34.5 | 47% | 0.474 | 17% | 0.173 | S | C | . | . | trans | -77.3 | 61.9 | 176.2 | 35.3 | -38 | 0 | 0 | 0 | 110.9 | I416 N417 E439 | I416-P437 CarbonylContact O-C 3.5Å; I416-P437 WeakPolarHBondContact O-CD 3.34Å; N417-P437 VanDerWaalsContact CA-O 3.29Å; N417-P437 WeakPolarHBondContact CA-O 3.47Å; N417-P437 VanDerWaalsContact CB-O 3.25Å; N417-P437 WeakPolarHBondContact CB-O 3.46Å; P437-E439 PolarHBondContact O-N 3.02Å | ||
| 438 | L | 92.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | -62.7 | 130.5 | 179.4 | -57.8 | -177.1 | 0 | 0 | 0 | 110.6 | I416 I419 L433 N436 F441 I467 V472 | I416-L438 HydrophobicContact CB-CD2 4.27Å; I416-L438 HydrophobicContact CG2-CD2 3.69Å; I419-L438 HydrophobicContact CD1-CD1 4.2Å; I419-L438 HydrophobicContact CD1-CD2 4.36Å; I419-L438 HydrophobicContact CG1-CD2 4.29Å; L433-L438 HydrophobicContact CB-CD1 4.44Å; L433-L438 HydrophobicContact CD1-CD1 4.45Å; N436-L438 HydrophobicContact CB-CD2 4Å; N436-L438 HydrophobicContact CB-CG 4.12Å; N436-L438 PolarHBondContact O-N 3.05Å; L438-F441 HydrophobicContact CB-CE2 4.28Å; L438-F441 HydrophobicContact CD1-CE2 3.56Å; L438-F441 HydrophobicContact CD1-CZ 3.83Å; L438-F441 HydrophobicContact CG-CE2 4.44Å; L438-I467 HydrophobicContact CB-CG2 4.07Å; L438-I467 HydrophobicContact CD1-CD1 3.77Å; L438-I467 HydrophobicContact CD1-CG2 4.45Å; L438-I467 HydrophobicContact CG-CD1 4.31Å; L438-I467 HydrophobicContact CG-CG2 4.36Å; L438-V472 HydrophobicContact CB-CG2 3.87Å; L438-V472 WeakPolarHBondContact O-CG2 3.06Å | ||
| 439 | E | 90.8 | Very high | 88.2 | Confident | 80 Ų | 80 | 38.4 Ų | 38.4 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | trans | -122.1 | -35.1 | 179.4 | -69.4 | 171.8 | 155.1 | 0 | 0 | 110.2 | N417 P437 Q473 | N417-E439 HydrophobicContact CB-CB 4.32Å; N417-E439 HydrophobicContact CB-CG 4.25Å; N417-E439 PolarHBondContact ND2-OE2 2.84Å; N417-E439 PolarHBondContact O-N 3.03Å; P437-E439 PolarHBondContact O-N 3.02Å; E439-Q473 PolarHBondContact O-N 3.04Å | ||
| 440 | L | 90 | Very high | 86.1 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 141.3 | -176.3 | -71 | 169.4 | 0 | 0 | 0 | 114 | N417 Y418 I419 Q473 | N417-L440 PolarHBondContact O-N 3.4Å; Y418-L440 WeakPolarHBondContact CA-O 2.93Å; Y418-L440 HydrophobicContact CD2-CB 3.63Å; Y418-L440 HydrophobicContact CE2-CB 4.4Å; Y418-L440 HydrophobicContact CG-CB 4.27Å; I419-L440 PolarHBondContact N-O 2.92Å; L440-Q473 CarbonylContact C-O 3.08Å; L440-Q473 WeakPolarHBondContact CA-O 3.29Å; L440-Q473 HydrophobicContact CD2-CB 4.23Å |
| 441 | F | 88.6 | Confident | 84 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.3 | 167.4 | -90 | -112.2 | 0 | 0 | 0 | 110.8 | I419 L433 L438 W445 V472 Q473 L474 E475 W481 I484 | I419-F441 HydrophobicContact CB-CD1 4.45Å; I419-F441 HydrophobicContact CD1-CE1 3.93Å; I419-F441 HydrophobicContact CD1-CE2 4.32Å; I419-F441 HydrophobicContact CD1-CZ 3.78Å; L433-F441 HydrophobicContact CD1-CZ 4.41Å; L438-F441 HydrophobicContact CB-CE2 4.28Å; L438-F441 HydrophobicContact CD1-CE2 3.56Å; L438-F441 HydrophobicContact CD1-CZ 3.83Å; L438-F441 HydrophobicContact CG-CE2 4.44Å; F441-W445 HydrophobicContact CD1-CG 4.3Å; F441-V472 HydrophobicContact CD2-CG1 3.42Å; F441-V472 VanDerWaalsContact CD2-CG1 3.42Å; F441-V472 HydrophobicContact CE2-CG1 3.85Å; F441-V472 HydrophobicContact CG-CG1 4.36Å; F441-Q473 PolarHBondContact N-O 3.19Å; F441-L474 HydrophobicContact CB-CD2 4.31Å; F441-L474 CarbonylContact O-C 3.6Å; F441-L474 VanDerWaalsContact O-CA 3.3Å; F441-L474 WeakPolarHBondContact O-CA 3.44Å; F441-E475 PolarHBondContact O-N 2.96Å; F441-W481 AromaticContact CE2-CH2 3.96Å; F441-W481 HydrophobicContact CE2-CH2 3.96Å; F441-W481 HydrophobicContact CZ-CH2 4.08Å; F441-W481 HydrophobicContact CZ-CZ3 4.28Å; F441-I484 HydrophobicContact CB-CD1 4.08Å; F441-I484 HydrophobicContact CB-CG1 4.29Å; F441-I484 HydrophobicContact CD1-CG2 3.68Å; F441-I484 HydrophobicContact CD2-CD1 4.46Å; F441-I484 HydrophobicContact CE1-CG2 3.85Å; F441-I484 HydrophobicContact CG-CD1 4.17Å; F441-I484 HydrophobicContact CG-CG2 4.32Å |
| 442 | N | 88.1 | Confident | 81.7 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | trans | -72.8 | 149.5 | 156 | -168.4 | -98.6 | 0 | 0 | 0 | 110.2 | I419 M421 H444 W445 E475 | I419-N442 PolarHBondContact O-N 3.21Å; M421-N442 WeakPolarHBondContact CA-OD1 3.26Å; M421-N442 HydrophobicContact CB-CB 4.32Å; M421-N442 WeakPolarHBondContact CB-OD1 3.37Å; M421-N442 WeakPolarHBondContact CG-OD1 3.38Å; M421-N442 VanDerWaalsContact N-CB 3.3Å; N442-H444 VanDerWaalsContact OD1-C 3.25Å; N442-H444 VanDerWaalsContact OD1-CA 3.29Å; N442-H444 WeakPolarHBondContact OD1-CA 3.41Å; N442-H444 WeakPolarHBondContact OD1-CB 3.49Å; N442-H444 PolarHBondContact OD1-N 3.41Å; N442-W445 VanDerWaalsContact O-CD1 3.31Å; N442-E475 VanDerWaalsContact CB-OE1 3.3Å; N442-E475 WeakPolarHBondContact CB-OE1 3.37Å; N442-E475 VanDerWaalsContact ND2-CD 3.26Å; N442-E475 PolarHBondContact ND2-OE1 2.91Å; N442-E475 VanDerWaalsContact ND2-OE1 3.14Å; N442-E475 PolarHBondContact ND2-OE2 3.16Å | ||
| 443 | D | 83.2 | Confident | 79.4 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 31% | 0.31 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.5 | 176 | 56 | -10.5 | 0 | 0 | 0 | 113.3 | L474 | D443-L474 HydrophobicContact CB-CD2 3.95Š|
| 444 | H | 84.8 | Confident | 77.4 | Confident | 94 Ų | 94 | 65.7 Ų | 65.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 45.5 | 176 | -58.2 | 80.3 | 0 | 0 | 0 | 111.2 | M421 N422 N442 I446 | M421-H444 WeakPolarHBondContact CA-O 3.43Å; M421-H444 HydrophobicContact CE-CB 4.08Å; M421-H444 HydrophobicContact CG-CB 4.09Å; N422-H444 PolarHBondContact N-O 2.81Å; N422-H444 PolarHBondContact OD1-O 3.16Å; N442-H444 VanDerWaalsContact OD1-C 3.25Å; N442-H444 VanDerWaalsContact OD1-CA 3.29Å; N442-H444 WeakPolarHBondContact OD1-CA 3.41Å; N442-H444 WeakPolarHBondContact OD1-CB 3.49Å; N442-H444 PolarHBondContact OD1-N 3.41Å; H444-I446 VanDerWaalsContact C-N 3.28Å; H444-I446 PolarHBondContact O-N 3.33Å |
| 445 | W | 88.9 | Confident | 75.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.011 | 37% | 0.365 | C | S | . | . | trans | -68.5 | -19.9 | -176.2 | 61.4 | -84.5 | 0 | 0 | 0 | 114.9 | I419 S423 I424 L431 F441 N442 L459 I484 I488 | I419-W445 HydrophobicContact CG2-CB 4.08Å; S423-W445 PolarHBondContact N-O 3.15Å; S423-W445 VanDerWaalsContact N-O 3.16Å; I424-W445 HydrophobicContact CB-CE3 4.19Å; I424-W445 HydrophobicContact CB-CZ3 4.31Å; I424-W445 HydrophobicContact CD1-CE3 3.92Å; I424-W445 HydrophobicContact CD1-CZ3 3.82Å; I424-W445 HydrophobicContact CG1-CE3 4.39Å; I424-W445 HydrophobicContact CG2-CZ3 4.3Å; I424-W445 PolarHBondContact N-O 3.27Å; L431-W445 HydrophobicContact CD2-CH2 3.98Å; L431-W445 HydrophobicContact CD2-CZ3 3.64Å; F441-W445 HydrophobicContact CD1-CG 4.3Å; N442-W445 VanDerWaalsContact O-CD1 3.31Å; W445-L459 HydrophobicContact CH2-CD2 4.07Å; W445-I484 PolarHBondContact NE1-O 2.85Å; W445-I488 HydrophobicContact CH2-CD1 4.02Å; W445-I488 HydrophobicContact CZ2-CD1 3.71Å; W445-I488 HydrophobicContact CZ2-CG1 4.43Å | ||
| 446 | I | 85.6 | Confident | 74.4 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 134.3 | 171.7 | -60.7 | -176.9 | 0 | 0 | 0 | 109.6 | I424 N426 H444 L448 V457 P487 I488 | I424-I446 WeakPolarHBondContact O-CA 3.19Å; N426-I446 HydrophobicContact CB-CG2 4.14Å; H444-I446 VanDerWaalsContact C-N 3.28Å; H444-I446 PolarHBondContact O-N 3.33Å; I446-L448 PolarHBondContact O-N 2.88Å; I446-V457 HydrophobicContact CD1-CG1 3.83Å; I446-V457 HydrophobicContact CG2-CG1 4.15Å; I446-V457 HydrophobicContact CG2-CG2 4.07Å; I446-P487 HydrophobicContact CD1-CB 4.49Å; I446-I488 HydrophobicContact CD1-CG2 3.4Å |
| 447 | Q | 73.3 | Confident | 73.9 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | trans | -65.2 | 100.1 | 176.2 | -174.8 | -178.3 | -18.8 | 0 | 0 | 111.7 | S400 N422 I424 N426 N449 | S400-Q447 PolarHBondContact OG-OE1 2.86Å; N422-Q447 HydrophobicContact CB-CB 4.19Å; N422-Q447 HydrophobicContact CB-CG 4.46Å; N422-Q447 WeakPolarHBondContact OD1-CA 3.42Å; I424-Q447 PolarHBondContact O-N 2.99Å; N426-Q447 WeakPolarHBondContact CB-O 3.26Å; Q447-N449 PolarHBondContact NE2-OD1 3.11Å | ||
| 448 | L | 70.3 | Confident | 73.7 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | trans | -90.8 | 119.1 | 164.6 | -62.1 | 176.1 | 0 | 0 | 0 | 108.2 | I446 D450 V457 | I446-L448 PolarHBondContact O-N 2.88Å; L448-D450 PolarHBondContact O-N 2.88Å; L448-V457 HydrophobicContact CD2-CG2 3.73Å | ||
| 449 | N | 60.4 | Low | 73.7 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | trans | -76.8 | 107.2 | 174.8 | -70.2 | -19.8 | 0 | 0 | 0 | 108.9 | Q447 H451 | Q447-N449 PolarHBondContact NE2-OD1 3.11Å; N449-H451 PolarHBondContact O-N 3.08Å | ||
| 450 | D | 51.2 | Low | 73.9 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 77% | 0.765 | 37% | 0.371 | S | S | * | . | trans | -59.7 | -12.3 | -163.4 | -83.6 | -50.3 | 0 | 0 | 0 | 117.3 | L448 | L448-D450 PolarHBondContact O-N 2.88Š| ||
| 451 | H | 51.9 | Low | 74.2 | Confident | 168 Ų | 168 | 71.1 Ų | 71.1 | 78% | 0.778 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -127.3 | 115.4 | -170 | -65.1 | -18.1 | 0 | 0 | 0 | 114.1 | N449 | N449-H451 PolarHBondContact O-N 3.08Š|
| 452 | S | 47.3 | Very low | 74.6 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 76.3 | 129.8 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 118.9 | N992 | S452-N992 PolarHBondContact OG-ND2 3.41Š|
| 453 | N | 48.1 | Very low | 75.1 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 70% | 0.695 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 47 | 85.7 | 161.7 | -67.7 | -8.6 | 0 | 0 | 0 | 119.9 | N455 | N453-N455 VanDerWaalsContact C-N 3.32Å; N453-N455 PolarHBondContact O-N 3.09Å |
| 454 | I | 54 | Low | 75.7 | Confident | 145 Ų | 145 | 69.6 Ų | 69.6 | 74% | 0.744 | 36% | 0.356 | S | S | * | . | trans | 44.9 | 44.2 | 139.7 | -33.7 | -178.7 | 0 | 0 | 0 | 115.9 | Q456 | I454-Q456 VanDerWaalsContact C-N 3.27Å; I454-Q456 HydrophobicContact CG2-CG 3.91Å; I454-Q456 PolarHBondContact O-N 2.99Å | ||
| 455 | N | 54.8 | Low | 76.2 | Confident | 105 Ų | 105 | 65.7 Ų | 65.7 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | -72.7 | 86.2 | 163.9 | -77.2 | -45.2 | 0 | 0 | 0 | 109 | N453 | N453-N455 VanDerWaalsContact C-N 3.32Å; N453-N455 PolarHBondContact O-N 3.09Å | ||
| 456 | Q | 72.1 | Confident | 76.6 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 71% | 0.71 | 35% | 0.347 | S | S | * | . | trans | -60.8 | 134.5 | 179.2 | -62.2 | -178 | -11.4 | 0 | 0 | 110.3 | I454 Q458 | I454-Q456 VanDerWaalsContact C-N 3.27Å; I454-Q456 HydrophobicContact CG2-CG 3.91Å; I454-Q456 PolarHBondContact O-N 2.99Å; Q456-Q458 PolarHBondContact O-N 2.99Å | ||
| 457 | V | 82.9 | Confident | 77 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | trans | -62.8 | 131.1 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | N426 I446 L448 L459 I488 S491 | N426-V457 HydrophobicContact CB-CG2 4.29Å; I446-V457 HydrophobicContact CD1-CG1 3.83Å; I446-V457 HydrophobicContact CG2-CG1 4.15Å; I446-V457 HydrophobicContact CG2-CG2 4.07Å; L448-V457 HydrophobicContact CD2-CG2 3.73Å; V457-L459 HydrophobicContact CG1-CB 3.99Å; V457-I488 HydrophobicContact CB-CG2 4.38Å; V457-I488 HydrophobicContact CG1-CG2 3.66Å; V457-S491 WeakPolarHBondContact O-CB 3.44Å | ||
| 458 | Q | 89.1 | Confident | 77.9 | Confident | 83 Ų | 83 | 70.8 Ų | 70.8 | 39% | 0.388 | 36% | 0.36 | S | S | . | . | trans | -92.2 | 9 | -174.2 | -57.2 | -168.8 | 9.2 | 0 | 0 | 114 | N426 L428 Q429 Q456 N460 | N426-Q458 PolarHBondContact O-N 2.95Å; L428-Q458 CarbonylContact O-C 3.08Å; L428-Q458 VanDerWaalsContact O-C 3.25Å; Q429-Q458 WeakPolarHBondContact CA-O 3.42Å; Q429-Q458 HydrophobicContact CG-CB 4.03Å; Q429-Q458 VanDerWaalsContact NE2-OE1 3.11Å; Q456-Q458 PolarHBondContact O-N 2.99Å; Q458-N460 PolarHBondContact O-N 3.3Å; Q458-N460 PolarHBondContact O-OD1 2.63Å; Q458-N460 VanDerWaalsContact O-OD1 3.14Å | ||
| 459 | L | 93 | Very high | 78.8 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | trans | -73.5 | 101.9 | -173.7 | -167.1 | 78.6 | 0 | 0 | 0 | 110.9 | L428 L431 W445 V457 I488 S491 I492 | L428-L459 HydrophobicContact CB-CD1 4.43Å; L428-L459 HydrophobicContact CD2-CD1 4.09Å; L428-L459 HydrophobicContact CG-CD1 4.19Å; L428-L459 VanDerWaalsContact O-CA 3.22Å; L428-L459 WeakPolarHBondContact O-CA 3.4Å; L428-L459 PolarHBondContact O-N 3.38Å; L428-L459 VanDerWaalsContact O-N 3.11Å; L431-L459 HydrophobicContact CB-CD1 3.69Å; L431-L459 HydrophobicContact CB-CD2 4.43Å; L431-L459 HydrophobicContact CD2-CD2 4.41Å; W445-L459 HydrophobicContact CH2-CD2 4.07Å; V457-L459 HydrophobicContact CG1-CB 3.99Å; L459-I488 HydrophobicContact CB-CG2 3.95Å; L459-I488 HydrophobicContact CD2-CD1 3.89Å; L459-I488 HydrophobicContact CD2-CG2 4.03Å; L459-S491 CarbonylContact O-C 3.56Å; L459-S491 VanDerWaalsContact O-C 3.28Å; L459-S491 VanDerWaalsContact O-CB 3.24Å; L459-S491 WeakPolarHBondContact O-CB 2.99Å; L459-S491 PolarHBondContact O-OG 2.84Å; L459-I492 PolarHBondContact O-N 3.08Å | ||
| 460 | N | 94.5 | Very high | 80 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | trans | -93.2 | -31.6 | -178.1 | -61.5 | -19.3 | 0 | 0 | 0 | 111.7 | Q429 Q458 S491 E493 H494 | Q429-N460 PolarHBondContact O-N 2.96Å; Q458-N460 PolarHBondContact O-N 3.3Å; Q458-N460 PolarHBondContact O-OD1 2.63Å; Q458-N460 VanDerWaalsContact O-OD1 3.14Å; N460-S491 PolarHBondContact OD1-O 3.37Å; N460-E493 PolarHBondContact O-N 2.93Å; N460-H494 PolarHBondContact O-N 3.11Å | ||
| 461 | E | 96.8 | Very high | 81.6 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.3 | -174.4 | -49.8 | -162 | 149.4 | 0 | 0 | 112.7 | Q429 I430 L431 H494 | Q429-E461 PolarHBondContact O-N 2.84Å; I430-E461 HydrophobicContact CB-CB 4.41Å; I430-E461 HydrophobicContact CG1-CB 4.19Å; I430-E461 HydrophobicContact CG1-CG 4.16Å; I430-E461 HydrophobicContact CG2-CB 4.2Å; L431-E461 PolarHBondContact N-O 3Å; E461-H494 WeakPolarHBondContact CA-O 3.46Å; E461-H494 HydrophobicContact CB-CB 4.42Å; E461-H494 HydrophobicContact CG-CB 4.06Å; E461-H494 IonicContact OE1-CD2 2.64Å; E461-H494 IonicContact OE1-CG 3.64Å |
| 462 | L | 96.7 | Very high | 83.4 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 121.7 | -179.6 | -179.4 | 60.4 | 0 | 0 | 0 | 112.2 | L431 L464 F485 I488 I492 H494 L495 S496 | L431-L462 HydrophobicContact CB-CD1 4.12Å; L431-L462 HydrophobicContact CD2-CD1 3.92Å; L431-L462 HydrophobicContact CG-CD1 4.02Å; L431-L462 WeakPolarHBondContact O-CA 3.49Å; L462-L464 HydrophobicContact CD1-CD2 4.06Å; L462-L464 HydrophobicContact CD1-CG 4.39Å; L462-L464 HydrophobicContact CD2-CD1 4.27Å; L462-L464 HydrophobicContact CD2-CG 4.42Å; L462-L464 HydrophobicContact CG-CD1 4.47Å; L462-L464 HydrophobicContact CG-CD2 4.31Å; L462-L464 HydrophobicContact CG-CG 4.11Å; L462-F485 HydrophobicContact CD2-CD1 4.3Å; L462-F485 HydrophobicContact CD2-CE1 3.82Å; L462-I488 HydrophobicContact CD2-CD1 3.89Å; L462-I492 HydrophobicContact CD2-CD1 4.47Å; L462-H494 PolarHBondContact N-O 3.24Å; L462-H494 VanDerWaalsContact N-O 3.08Å; L462-L495 HydrophobicContact CB-CD1 4.07Å; L462-L495 HydrophobicContact CD2-CD1 4.12Å; L462-L495 HydrophobicContact CG-CD1 4.17Å; L462-S496 PolarHBondContact O-N 3.43Å |
| 463 | H | 97.2 | Very high | 85.2 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 16% | 0.157 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113 | 178.2 | -56.6 | -105.2 | 0 | 0 | 0 | 111.7 | L431 H432 L433 S496 | L431-H463 PolarHBondContact O-N 2.99Å; H432-H463 HydrophobicContact CB-CB 4.28Å; H432-H463 AromaticContact CE1-CD2 3.25Å; H432-H463 PolarHBondContact CE1-CD2 3.14Å; H432-H463 AromaticContact CE1-CE1 3.94Å; H432-H463 AromaticContact CE1-CG 3.75Å; H432-H463 AromaticContact CE1-NE2 3.39Å; H432-H463 PolarHBondContact CE1-NE2 2.78Å; H432-H463 AromaticContact CG-CD2 3.93Å; H432-H463 AromaticContact ND1-CD2 3.19Å; H432-H463 PolarHBondContact ND1-CD2 2.93Å; H432-H463 AromaticContact ND1-CG 3.31Å; H432-H463 VanDerWaalsContact ND1-CG 3.31Å; H432-H463 AromaticContact ND1-ND1 3.93Å; H432-H463 AromaticContact ND1-NE2 3.78Å; H432-H463 AromaticContact NE2-CD2 4Å; L433-H463 PolarHBondContact N-O 3.01Å; H463-S496 WeakPolarHBondContact ND1-CB 3.5Å; H463-S496 PolarHBondContact ND1-OG 2.81Å |
| 464 | L | 96.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -110.8 | 28 | 179.6 | -59.1 | 175.7 | 0 | 0 | 0 | 111.6 | L433 L462 I467 L469 W481 F485 S496 L497 C500 | L433-L464 HydrophobicContact CB-CD2 4.22Å; L433-L464 HydrophobicContact CD1-CD2 3.98Å; L462-L464 HydrophobicContact CD1-CD2 4.06Å; L462-L464 HydrophobicContact CD1-CG 4.39Å; L462-L464 HydrophobicContact CD2-CD1 4.27Å; L462-L464 HydrophobicContact CD2-CG 4.42Å; L462-L464 HydrophobicContact CG-CD1 4.47Å; L462-L464 HydrophobicContact CG-CD2 4.31Å; L462-L464 HydrophobicContact CG-CG 4.11Å; L464-I467 HydrophobicContact CB-CD1 4.07Å; L464-I467 HydrophobicContact CD2-CD1 4.16Å; L464-I467 WeakPolarHBondContact O-CB 3.4Å; L464-I467 VanDerWaalsContact O-CG1 3.23Å; L464-I467 WeakPolarHBondContact O-CG1 3.15Å; L464-I467 PolarHBondContact O-N 3.35Å; L464-L469 HydrophobicContact CB-CD2 4.25Å; L464-L469 HydrophobicContact CD1-CD2 4.41Å; L464-W481 HydrophobicContact CD1-CE3 4.35Å; L464-W481 HydrophobicContact CD1-CH2 3.89Å; L464-W481 HydrophobicContact CD1-CZ3 3.55Å; L464-F485 HydrophobicContact CD1-CE1 4.12Å; L464-F485 HydrophobicContact CD1-CZ 4.16Å; L464-S496 PolarHBondContact N-O 3.23Å; L464-L497 HydrophobicContact CB-CD2 4Å; L464-L497 HydrophobicContact CD1-CD2 3.94Å; L464-L497 HydrophobicContact CG-CD2 4.37Å; L464-C500 PolarHBondContact O-SG 3.38Å | ||
| 465 | N | 96.8 | Very high | 88.1 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 141.1 | -165.9 | -65.1 | -28.2 | 0 | 0 | 0 | 112.8 | S434 E435 I467 S496 L497 I498 | S434-N465 CarbonylContact C-O 3.58Å; S434-N465 VanDerWaalsContact CA-O 3.24Å; S434-N465 WeakPolarHBondContact CA-O 3.42Å; S434-N465 WeakPolarHBondContact CB-O 3.25Å; E435-N465 PolarHBondContact N-O 3.32Å; N465-I467 PolarHBondContact O-N 3.46Å; N465-S496 PolarHBondContact ND2-OG 2.93Å; N465-S496 PolarHBondContact OD1-O 3.04Å; N465-S496 PolarHBondContact OD1-OG 2.87Å; N465-S496 VanDerWaalsContact OD1-OG 3.14Å; N465-L497 PolarHBondContact OD1-N 2.97Å; N465-I498 CarbonylContact C-O 3.36Å; N465-I498 WeakPolarHBondContact CA-O 3.23Å; N465-I498 HydrophobicContact CB-CB 4.17Å; N465-I498 WeakPolarHBondContact OD1-CB 3.39Å; N465-I498 WeakPolarHBondContact OD1-CG1 3.22Å; N465-I498 PolarHBondContact OD1-N 2.99Å |
| 466 | S | 96.4 | Very high | 89 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 11.7 | -176.1 | -92.4 | 0 | 0 | 0 | 0 | 116.1 | I498 K1253 | S466-I498 PolarHBondContact N-O 3.28Å; S466-K1253 PolarHBondContact OG-NZ 3.05Å; S466-K1253 VanDerWaalsContact OG-NZ 3.1Å |
| 467 | I | 93.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | trans | -90.5 | 133.2 | 175.6 | -51.6 | 176.4 | 0 | 0 | 0 | 109.3 | L433 L438 L464 N465 L469 V472 C500 | L433-I467 HydrophobicContact CB-CD1 4.22Å; L433-I467 WeakPolarHBondContact O-CD1 3.3Å; L438-I467 HydrophobicContact CB-CG2 4.07Å; L438-I467 HydrophobicContact CD1-CD1 3.77Å; L438-I467 HydrophobicContact CD1-CG2 4.45Å; L438-I467 HydrophobicContact CG-CD1 4.31Å; L438-I467 HydrophobicContact CG-CG2 4.36Å; L464-I467 HydrophobicContact CB-CD1 4.07Å; L464-I467 HydrophobicContact CD2-CD1 4.16Å; L464-I467 WeakPolarHBondContact O-CB 3.4Å; L464-I467 VanDerWaalsContact O-CG1 3.23Å; L464-I467 WeakPolarHBondContact O-CG1 3.15Å; L464-I467 PolarHBondContact O-N 3.35Å; N465-I467 PolarHBondContact O-N 3.46Å; I467-L469 HydrophobicContact CB-CD2 4.04Å; I467-L469 HydrophobicContact CG2-CD2 4.09Å; I467-L469 PolarHBondContact O-N 3.03Å; I467-L469 VanDerWaalsContact O-N 3.08Å; I467-V472 HydrophobicContact CG2-CG2 4.42Å; I467-C500 VanDerWaalsContact O-CA 3.3Å; I467-C500 WeakPolarHBondContact O-CA 3.29Å; I467-C500 WeakPolarHBondContact O-CB 3.5Å; I467-C500 PolarHBondContact O-SG 3.24Å | ||
| 468 | R | 91.9 | Very high | 88.7 | Confident | 125 Ų | 125 | 41.5 Ų | 41.5 | 47% | 0.472 | 21% | 0.214 | S | C | . | . | trans | -80.6 | 88.7 | 177.3 | -175.9 | 178.7 | -175 | -135 | -4.7 | 109.7 | I470 S471 | R468-I470 HydrophobicContact CG-CG2 3.74Å; R468-I470 PolarHBondContact O-N 2.99Å; R468-S471 PolarHBondContact O-N 3.02Å; R468-S471 PolarHBondContact O-OG 2.93Å | ||
| 469 | L | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -59.7 | -25.8 | -170.2 | -52.2 | -173.8 | 0 | 0 | 0 | 114 | L464 I467 S471 V472 W481 L497 C500 L502 L533 L535 | L464-L469 HydrophobicContact CB-CD2 4.25Å; L464-L469 HydrophobicContact CD1-CD2 4.41Å; I467-L469 HydrophobicContact CB-CD2 4.04Å; I467-L469 HydrophobicContact CG2-CD2 4.09Å; I467-L469 PolarHBondContact O-N 3.03Å; I467-L469 VanDerWaalsContact O-N 3.08Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.93Å; L469-V472 PolarHBondContact O-N 3.01Å; L469-W481 HydrophobicContact CB-CZ2 4Å; L469-W481 HydrophobicContact CD2-CH2 3.91Å; L469-W481 HydrophobicContact CD2-CZ2 3.61Å; L469-W481 HydrophobicContact CG-CZ2 4.29Å; L469-W481 PolarHBondContact O-NE1 3.49Å; L469-L497 HydrophobicContact CD1-CD1 4.44Å; L469-L497 HydrophobicContact CD1-CD2 4.11Å; L469-C500 HydrophobicContact CD1-CB 4.29Å; L469-C500 HydrophobicContact CG-CB 4.1Å; L469-L502 HydrophobicContact CB-CD2 4.45Å; L469-L502 HydrophobicContact CD1-CD2 4.17Å; L469-L533 HydrophobicContact CB-CD2 3.87Å; L469-L535 HydrophobicContact CD1-CD2 3.94Å |
| 470 | I | 85.4 | Confident | 87.7 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -73.8 | -11.3 | 175.6 | -167.7 | 164.5 | 0 | 0 | 0 | 114.8 | R468 M506 I531 L533 | R468-I470 HydrophobicContact CG-CG2 3.74Å; R468-I470 PolarHBondContact O-N 2.99Å; I470-M506 HydrophobicContact CD1-CE 3.86Å; I470-M506 HydrophobicContact CD1-SD 4.29Å; I470-I531 HydrophobicContact CD1-CB 4.31Å; I470-I531 WeakPolarHBondContact CD1-O 3.45Å; I470-I531 HydrophobicContact CG1-CB 4.35Å; I470-I531 HydrophobicContact CG1-CG2 4.21Å; I470-L533 HydrophobicContact CB-CD1 4.43Å |
| 471 | S | 85.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -98.8 | 5.4 | 169.2 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | R468 L469 | R468-S471 PolarHBondContact O-N 3.02Å; R468-S471 PolarHBondContact O-OG 2.93Å; L469-S471 VanDerWaalsContact C-N 3.31Å; L469-S471 PolarHBondContact O-N 2.93Å |
| 472 | V | 87.8 | Confident | 87 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -92.9 | 123.2 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | L438 F441 I467 L469 W481 I484 | L438-V472 HydrophobicContact CB-CG2 3.87Å; L438-V472 WeakPolarHBondContact O-CG2 3.06Å; F441-V472 HydrophobicContact CD2-CG1 3.42Å; F441-V472 VanDerWaalsContact CD2-CG1 3.42Å; F441-V472 HydrophobicContact CE2-CG1 3.85Å; F441-V472 HydrophobicContact CG-CG1 4.36Å; I467-V472 HydrophobicContact CG2-CG2 4.42Å; L469-V472 PolarHBondContact O-N 3.01Å; V472-W481 HydrophobicContact CB-CZ2 3.58Å; V472-W481 HydrophobicContact CG1-CH2 4.21Å; V472-W481 HydrophobicContact CG1-CZ2 3.63Å; V472-W481 HydrophobicContact CG2-CH2 4.46Å; V472-W481 HydrophobicContact CG2-CZ2 3.75Å; V472-I484 HydrophobicContact CG1-CD1 4.06Å | ||
| 473 | Q | 87 | Confident | 86.5 | Confident | 94 Ų | 94 | 40.9 Ų | 40.9 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 153.3 | 173 | -67.3 | 178 | -20.4 | 0 | 0 | 110.4 | E439 L440 F441 | E439-Q473 PolarHBondContact O-N 3.04Å; L440-Q473 CarbonylContact C-O 3.08Å; L440-Q473 WeakPolarHBondContact CA-O 3.29Å; L440-Q473 HydrophobicContact CD2-CB 4.23Å; F441-Q473 PolarHBondContact N-O 3.19Å |
| 474 | L | 83.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 160 | 158.8 | -73.2 | 170.8 | 0 | 0 | 0 | 110.3 | F441 D443 N476 G477 E478 N480 K483 I484 | F441-L474 HydrophobicContact CB-CD2 4.31Å; F441-L474 CarbonylContact O-C 3.6Å; F441-L474 VanDerWaalsContact O-CA 3.3Å; F441-L474 WeakPolarHBondContact O-CA 3.44Å; D443-L474 HydrophobicContact CB-CD2 3.95Å; L474-N476 VanDerWaalsContact CB-OD1 3.28Å; L474-N476 WeakPolarHBondContact CB-OD1 3.16Å; L474-N476 PolarHBondContact O-N 2.94Å; L474-G477 WeakPolarHBondContact O-CA 3.41Å; L474-G477 PolarHBondContact O-N 3.07Å; L474-E478 WeakPolarHBondContact CB-O 3.31Å; L474-E478 HydrophobicContact CD1-CB 4.4Å; L474-E478 PolarHBondContact N-O 2.89Å; L474-N480 HydrophobicContact CD1-CB 4.43Å; L474-K483 HydrophobicContact CD1-CB 3.67Å; L474-K483 HydrophobicContact CD1-CD 3.72Å; L474-K483 HydrophobicContact CD1-CG 4.35Å; L474-I484 HydrophobicContact CD2-CD1 4.21Å; L474-I484 HydrophobicContact CD2-CG1 3.54Å; L474-I484 HydrophobicContact CG-CD1 4.46Å; L474-I484 HydrophobicContact CG-CG1 4.1Å |
| 475 | E | 79 | Confident | 85.8 | Confident | 95 Ų | 95 | 39.5 Ų | 39.5 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.3 | 173.9 | -74.2 | 174.5 | -162.2 | 0 | 0 | 114.2 | Y418 F441 N442 G477 | Y418-E475 HydrophobicContact CE2-CG 4.25Å; Y418-E475 WeakPolarHBondContact CE2-OE1 3.44Å; Y418-E475 VanDerWaalsContact CZ-OE1 3.22Å; Y418-E475 PolarHBondContact OH-OE1 3Å; F441-E475 PolarHBondContact O-N 2.96Å; N442-E475 VanDerWaalsContact CB-OE1 3.3Å; N442-E475 WeakPolarHBondContact CB-OE1 3.37Å; N442-E475 VanDerWaalsContact ND2-CD 3.26Å; N442-E475 PolarHBondContact ND2-OE1 2.91Å; N442-E475 VanDerWaalsContact ND2-OE1 3.14Å; N442-E475 PolarHBondContact ND2-OE2 3.16Å; E475-G477 VanDerWaalsContact C-N 3.29Å |
| 476 | N | 74.3 | Confident | 85.4 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.3 | 173.7 | 62.2 | 30.2 | 0 | 0 | 0 | 114.1 | L474 E478 | L474-N476 VanDerWaalsContact CB-OD1 3.28Å; L474-N476 WeakPolarHBondContact CB-OD1 3.16Å; L474-N476 PolarHBondContact O-N 2.94Å; N476-E478 WeakPolarHBondContact OD1-CB 3.47Å; N476-E478 PolarHBondContact OD1-N 3.38Å |
| 477 | G | 75.5 | Confident | 85 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | S | Bend | trans | 89 | -9.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L474 E475 A479 | L474-G477 WeakPolarHBondContact O-CA 3.41Å; L474-G477 PolarHBondContact O-N 3.07Å; E475-G477 VanDerWaalsContact C-N 3.29Å; G477-A479 PolarHBondContact O-N 2.78Å |
| 478 | E | 72.8 | Confident | 84.9 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | trans | -76.2 | 124.6 | 179.8 | -71 | -178.6 | -142.8 | 0 | 0 | 112.7 | L474 N476 N480 K483 | L474-E478 WeakPolarHBondContact CB-O 3.31Å; L474-E478 HydrophobicContact CD1-CB 4.4Å; L474-E478 PolarHBondContact N-O 2.89Å; N476-E478 WeakPolarHBondContact OD1-CB 3.47Å; N476-E478 PolarHBondContact OD1-N 3.38Å; E478-N480 HydrophobicContact CB-CB 3.9Å; E478-N480 PolarHBondContact O-N 2.97Å; E478-N480 PolarHBondContact OE2-ND2 2.81Å; E478-K483 IonicContact OE1-NZ 2.79Å; E478-K483 PolarHBondContact OE1-NZ 2.92Å; E478-K483 WeakPolarHBondContact OE2-CE 3.38Å; E478-K483 IonicContact OE2-NZ 2.68Å; E478-K483 PolarHBondContact OE2-NZ 3.5Å | ||
| 479 | A | 76.6 | Confident | 84.9 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 17% | 0.174 | 22% | 0.215 | C | C | . | . | trans | -78.6 | 61.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G477 I531 | G477-A479 PolarHBondContact O-N 2.78Å; A479-I531 HydrophobicContact CB-CG2 4.06Å | ||
| 480 | N | 83.9 | Confident | 84.9 | Confident | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -121.4 | 93.8 | -166.1 | -169.5 | -1.6 | 0 | 0 | 0 | 112.4 | L474 E478 K483 I484 N534 | L474-N480 HydrophobicContact CD1-CB 4.43Å; E478-N480 HydrophobicContact CB-CB 3.9Å; E478-N480 PolarHBondContact O-N 2.97Å; E478-N480 PolarHBondContact OE2-ND2 2.81Å; N480-K483 HydrophobicContact CB-CD 4.43Å; N480-K483 WeakPolarHBondContact O-CB 3.41Å; N480-K483 PolarHBondContact O-N 2.91Å; N480-I484 PolarHBondContact O-N 2.83Å; N480-N534 PolarHBondContact OD1-ND2 2.81Å; N480-N534 VanDerWaalsContact OD1-ND2 3.16Å |
| 481 | W | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -75 | -21.1 | -176.6 | -76.8 | 86.5 | 0 | 0 | 0 | 113.9 | F441 L464 L469 V472 K483 I484 F485 N534 L535 | F441-W481 AromaticContact CE2-CH2 3.96Å; F441-W481 HydrophobicContact CE2-CH2 3.96Å; F441-W481 HydrophobicContact CZ-CH2 4.08Å; F441-W481 HydrophobicContact CZ-CZ3 4.28Å; L464-W481 HydrophobicContact CD1-CE3 4.35Å; L464-W481 HydrophobicContact CD1-CH2 3.89Å; L464-W481 HydrophobicContact CD1-CZ3 3.55Å; L469-W481 HydrophobicContact CB-CZ2 4Å; L469-W481 HydrophobicContact CD2-CH2 3.91Å; L469-W481 HydrophobicContact CD2-CZ2 3.61Å; L469-W481 HydrophobicContact CG-CZ2 4.29Å; L469-W481 PolarHBondContact O-NE1 3.49Å; V472-W481 HydrophobicContact CB-CZ2 3.58Å; V472-W481 HydrophobicContact CG1-CH2 4.21Å; V472-W481 HydrophobicContact CG1-CZ2 3.63Å; V472-W481 HydrophobicContact CG2-CH2 4.46Å; V472-W481 HydrophobicContact CG2-CZ2 3.75Å; W481-K483 PolarHBondContact O-N 3.41Å; W481-I484 HydrophobicContact CD2-CD1 3.79Å; W481-I484 HydrophobicContact CE3-CB 4Å; W481-I484 HydrophobicContact CE3-CD1 3.87Å; W481-I484 HydrophobicContact CE3-CG2 3.82Å; W481-I484 HydrophobicContact CG-CD1 4.19Å; W481-I484 HydrophobicContact CZ2-CD1 4.48Å; W481-I484 HydrophobicContact CZ3-CD1 4.24Å; W481-I484 HydrophobicContact CZ3-CG2 3.88Å; W481-I484 PolarHBondContact O-N 3.49Å; W481-I484 VanDerWaalsContact O-N 3.15Å; W481-F485 HydrophobicContact CB-CD2 4.47Å; W481-F485 HydrophobicContact CB-CE2 4.22Å; W481-F485 HydrophobicContact CD2-CZ 4.5Å; W481-F485 HydrophobicContact CE3-CD1 4.41Å; W481-F485 AromaticContact CE3-CE1 3.71Å; W481-F485 HydrophobicContact CE3-CE1 3.71Å; W481-F485 HydrophobicContact CE3-CE2 4.28Å; W481-F485 AromaticContact CE3-CZ 3.64Å; W481-F485 HydrophobicContact CE3-CZ 3.64Å; W481-F485 HydrophobicContact CZ3-CE1 4.04Å; W481-F485 HydrophobicContact CZ3-CZ 4.22Å; W481-F485 WeakPolarHBondContact O-CD2 3.41Å; W481-F485 WeakPolarHBondContact O-CG 3.4Å; W481-F485 PolarHBondContact O-N 3.11Å; W481-N534 CarbonylContact C-O 3.33Å; W481-N534 WeakPolarHBondContact CA-O 3.22Å; W481-N534 WeakPolarHBondContact CB-O 3.41Å; W481-N534 PolarHBondContact N-O 2.92Å; W481-L535 HydrophobicContact CB-CD2 4.13Å; W481-L535 HydrophobicContact CG-CD2 4.14Å |
| 482 | E | 87.6 | Confident | 85.6 | Confident | 50 Ų | 50 | 42.5 Ų | 42.5 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.5 | -40.8 | 167.7 | -177.2 | -174.3 | 159.3 | 0 | 0 | 111.1 | Q486 K515 N534 H539 | E482-Q486 PolarHBondContact O-N 3.41Å; E482-Q486 VanDerWaalsContact O-N 3.11Å; E482-K515 IonicContact OE1-NZ 3.54Å; E482-N534 WeakPolarHBondContact CB-ND2 3.3Å; E482-N534 PolarHBondContact N-O 2.87Å; E482-N534 VanDerWaalsContact N-O 3.08Å; E482-N534 PolarHBondContact OE2-ND2 2.78Å; E482-H539 IonicContact OE1-CD2 3.31Å; E482-H539 IonicContact OE1-NE2 3.23Å |
| 483 | K | 86.9 | Confident | 86 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.4 | -43 | 174.4 | -76.5 | -179.7 | 176 | 178.7 | 0 | 111.9 | L474 E478 N480 W481 F485 Q486 | L474-K483 HydrophobicContact CD1-CB 3.67Å; L474-K483 HydrophobicContact CD1-CD 3.72Å; L474-K483 HydrophobicContact CD1-CG 4.35Å; E478-K483 IonicContact OE1-NZ 2.79Å; E478-K483 PolarHBondContact OE1-NZ 2.92Å; E478-K483 WeakPolarHBondContact OE2-CE 3.38Å; E478-K483 IonicContact OE2-NZ 2.68Å; E478-K483 PolarHBondContact OE2-NZ 3.5Å; N480-K483 HydrophobicContact CB-CD 4.43Å; N480-K483 WeakPolarHBondContact O-CB 3.41Å; N480-K483 PolarHBondContact O-N 2.91Å; W481-K483 PolarHBondContact O-N 3.41Å; K483-F485 VanDerWaalsContact C-N 3.31Å; K483-F485 PolarHBondContact O-N 3.11Å; K483-Q486 WeakPolarHBondContact O-CB 3.11Å; K483-Q486 PolarHBondContact O-N 3.3Å; K483-Q486 VanDerWaalsContact O-N 3.16Å |
| 484 | I | 88.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -37.7 | 178.1 | -62.8 | 170.6 | 0 | 0 | 0 | 111.7 | F441 W445 V472 L474 N480 W481 P487 | F441-I484 HydrophobicContact CB-CD1 4.08Å; F441-I484 HydrophobicContact CB-CG1 4.29Å; F441-I484 HydrophobicContact CD1-CG2 3.68Å; F441-I484 HydrophobicContact CD2-CD1 4.46Å; F441-I484 HydrophobicContact CE1-CG2 3.85Å; F441-I484 HydrophobicContact CG-CD1 4.17Å; F441-I484 HydrophobicContact CG-CG2 4.32Å; W445-I484 PolarHBondContact NE1-O 2.85Å; V472-I484 HydrophobicContact CG1-CD1 4.06Å; L474-I484 HydrophobicContact CD2-CD1 4.21Å; L474-I484 HydrophobicContact CD2-CG1 3.54Å; L474-I484 HydrophobicContact CG-CD1 4.46Å; L474-I484 HydrophobicContact CG-CG1 4.1Å; N480-I484 PolarHBondContact O-N 2.83Å; W481-I484 HydrophobicContact CD2-CD1 3.79Å; W481-I484 HydrophobicContact CE3-CB 4Å; W481-I484 HydrophobicContact CE3-CD1 3.87Å; W481-I484 HydrophobicContact CE3-CG2 3.82Å; W481-I484 HydrophobicContact CG-CD1 4.19Å; W481-I484 HydrophobicContact CZ2-CD1 4.48Å; W481-I484 HydrophobicContact CZ3-CD1 4.24Å; W481-I484 HydrophobicContact CZ3-CG2 3.88Å; W481-I484 PolarHBondContact O-N 3.49Å; W481-I484 VanDerWaalsContact O-N 3.15Å; I484-P487 WeakPolarHBondContact O-CD 3.34Å |
| 485 | F | 90.8 | Very high | 87.1 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -84.3 | -8.2 | 177.3 | -60.9 | -35.2 | 0 | 0 | 0 | 114.2 | L462 L464 W481 K483 P487 I488 K489 L535 L540 | L462-F485 HydrophobicContact CD2-CD1 4.3Å; L462-F485 HydrophobicContact CD2-CE1 3.82Å; L464-F485 HydrophobicContact CD1-CE1 4.12Å; L464-F485 HydrophobicContact CD1-CZ 4.16Å; W481-F485 HydrophobicContact CB-CD2 4.47Å; W481-F485 HydrophobicContact CB-CE2 4.22Å; W481-F485 HydrophobicContact CD2-CZ 4.5Å; W481-F485 HydrophobicContact CE3-CD1 4.41Å; W481-F485 AromaticContact CE3-CE1 3.71Å; W481-F485 HydrophobicContact CE3-CE1 3.71Å; W481-F485 HydrophobicContact CE3-CE2 4.28Å; W481-F485 AromaticContact CE3-CZ 3.64Å; W481-F485 HydrophobicContact CE3-CZ 3.64Å; W481-F485 HydrophobicContact CZ3-CE1 4.04Å; W481-F485 HydrophobicContact CZ3-CZ 4.22Å; W481-F485 WeakPolarHBondContact O-CD2 3.41Å; W481-F485 WeakPolarHBondContact O-CG 3.4Å; W481-F485 PolarHBondContact O-N 3.11Å; K483-F485 VanDerWaalsContact C-N 3.31Å; K483-F485 PolarHBondContact O-N 3.11Å; F485-P487 VanDerWaalsContact C-N 3.33Å; F485-I488 HydrophobicContact CD1-CD1 4.26Å; F485-I488 CarbonylContact O-C 3.58Å; F485-I488 WeakPolarHBondContact O-CG1 3.4Å; F485-I488 PolarHBondContact O-N 2.84Å; F485-K489 PolarHBondContact O-N 3.48Å; F485-L535 WeakPolarHBondContact CD2-O 3.3Å; F485-L535 WeakPolarHBondContact CE2-O 3.18Å; F485-L540 HydrophobicContact CB-CD2 4.13Å |
| 486 | Q | 88.5 | Confident | 88 | Confident | 98 Ų | 98 | 37 Ų | 37 | 46% | 0.458 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -37 | -178.4 | -177.9 | 76.2 | -45.6 | 0 | 0 | 114.6 | E482 K483 I488 K489 | E482-Q486 PolarHBondContact O-N 3.41Å; E482-Q486 VanDerWaalsContact O-N 3.11Å; K483-Q486 WeakPolarHBondContact O-CB 3.11Å; K483-Q486 PolarHBondContact O-N 3.3Å; K483-Q486 VanDerWaalsContact O-N 3.16Å; Q486-I488 VanDerWaalsContact C-N 3.32Å; Q486-I488 PolarHBondContact O-N 3.43Å; Q486-K489 VanDerWaalsContact CD-NZ 3.28Å; Q486-K489 WeakPolarHBondContact O-CD 3.43Å; Q486-K489 VanDerWaalsContact O-CE 3.27Å; Q486-K489 WeakPolarHBondContact O-CE 3.32Å; Q486-K489 VanDerWaalsContact OE1-CD 3.24Å |
| 487 | P | 87.9 | Confident | 89.1 | Confident | 32 Ų | 32 | 32.8 Ų | 32.8 | 21% | 0.208 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -26.1 | 175.9 | -20.9 | 34.7 | 0 | 0 | 0 | 114.3 | I446 I484 F485 | I446-P487 HydrophobicContact CD1-CB 4.49Å; I484-P487 WeakPolarHBondContact O-CD 3.34Å; F485-P487 VanDerWaalsContact C-N 3.33Å |
| 488 | I | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -2.3 | -168.4 | 48.7 | 173.8 | 0 | 0 | 0 | 114.7 | W445 I446 V457 L459 L462 F485 Q486 N490 S491 I492 | W445-I488 HydrophobicContact CH2-CD1 4.02Å; W445-I488 HydrophobicContact CZ2-CD1 3.71Å; W445-I488 HydrophobicContact CZ2-CG1 4.43Å; I446-I488 HydrophobicContact CD1-CG2 3.4Å; V457-I488 HydrophobicContact CB-CG2 4.38Å; V457-I488 HydrophobicContact CG1-CG2 3.66Å; L459-I488 HydrophobicContact CB-CG2 3.95Å; L459-I488 HydrophobicContact CD2-CD1 3.89Å; L459-I488 HydrophobicContact CD2-CG2 4.03Å; L462-I488 HydrophobicContact CD2-CD1 3.89Å; F485-I488 HydrophobicContact CD1-CD1 4.26Å; F485-I488 CarbonylContact O-C 3.58Å; F485-I488 WeakPolarHBondContact O-CG1 3.4Å; F485-I488 PolarHBondContact O-N 2.84Å; Q486-I488 VanDerWaalsContact C-N 3.32Å; Q486-I488 PolarHBondContact O-N 3.43Å; I488-N490 PolarHBondContact O-N 2.77Å; I488-S491 PolarHBondContact O-N 2.91Å; I488-S491 PolarHBondContact O-OG 3.48Å; I488-S491 VanDerWaalsContact O-OG 3.08Å; I488-I492 HydrophobicContact CB-CD1 4.32Å; I488-I492 HydrophobicContact CB-CG1 3.94Å; I488-I492 HydrophobicContact CD1-CD1 3.6Å; I488-I492 HydrophobicContact CD1-CG1 3.95Å; I488-I492 HydrophobicContact CG1-CD1 3.85Å; I488-I492 HydrophobicContact CG1-CG1 4.05Å; I488-I492 WeakPolarHBondContact O-CG1 3.38Å; I488-I492 PolarHBondContact O-N 3.38Å; I488-I492 VanDerWaalsContact O-N 3.07Å |
| 489 | K | 90.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 27% | 0.265 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -23.9 | 175.8 | 69.5 | -171.3 | 166.6 | -174.3 | 0 | 116.5 | F485 Q486 L540 | F485-K489 PolarHBondContact O-N 3.48Å; Q486-K489 VanDerWaalsContact CD-NZ 3.28Å; Q486-K489 WeakPolarHBondContact O-CD 3.43Å; Q486-K489 VanDerWaalsContact O-CE 3.27Å; Q486-K489 WeakPolarHBondContact O-CE 3.32Å; Q486-K489 VanDerWaalsContact OE1-CD 3.24Å; K489-L540 HydrophobicContact CB-CD2 4.22Å |
| 490 | N | 89.9 | Confident | 92.2 | Very high | 113 Ų | 113 | 30.8 Ų | 30.8 | 60% | 0.604 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -3.3 | -178.2 | -72.8 | -18.7 | 0 | 0 | 0 | 113.3 | I488 Q542 | I488-N490 PolarHBondContact O-N 2.77Å; N490-Q542 WeakPolarHBondContact O-CG 3.5Å |
| 491 | S | 92.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -35.1 | -175.8 | 65.5 | 0 | 0 | 0 | 0 | 114 | V457 L459 N460 I488 E493 | V457-S491 WeakPolarHBondContact O-CB 3.44Å; L459-S491 CarbonylContact O-C 3.56Å; L459-S491 VanDerWaalsContact O-C 3.28Å; L459-S491 VanDerWaalsContact O-CB 3.24Å; L459-S491 WeakPolarHBondContact O-CB 2.99Å; L459-S491 PolarHBondContact O-OG 2.84Å; N460-S491 PolarHBondContact OD1-O 3.37Å; I488-S491 PolarHBondContact O-N 2.91Å; I488-S491 PolarHBondContact O-OG 3.48Å; I488-S491 VanDerWaalsContact O-OG 3.08Å; S491-E493 PolarHBondContact O-N 3.43Å; S491-E493 VanDerWaalsContact O-N 3.1Å |
| 492 | I | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -59.1 | 119.3 | -177.5 | -50.9 | 176.8 | 0 | 0 | 0 | 110.9 | L459 L462 I488 H494 L495 L540 Q542 L543 | L459-I492 PolarHBondContact O-N 3.08Å; L462-I492 HydrophobicContact CD2-CD1 4.47Å; I488-I492 HydrophobicContact CB-CD1 4.32Å; I488-I492 HydrophobicContact CB-CG1 3.94Å; I488-I492 HydrophobicContact CD1-CD1 3.6Å; I488-I492 HydrophobicContact CD1-CG1 3.95Å; I488-I492 HydrophobicContact CG1-CD1 3.85Å; I488-I492 HydrophobicContact CG1-CG1 4.05Å; I488-I492 WeakPolarHBondContact O-CG1 3.38Å; I488-I492 PolarHBondContact O-N 3.38Å; I488-I492 VanDerWaalsContact O-N 3.07Å; I492-H494 WeakPolarHBondContact CG2-O 3.44Å; I492-L495 HydrophobicContact CG2-CB 4.29Å; I492-L540 HydrophobicContact CD1-CD1 4.26Å; I492-L540 HydrophobicContact CD1-CD2 4Å; I492-Q542 CarbonylContact O-C 3.51Å; I492-Q542 WeakPolarHBondContact O-CB 3.42Å; I492-L543 HydrophobicContact CG2-CD1 3.82Å; I492-L543 PolarHBondContact O-N 3.08Å | ||
| 493 | E | 96.2 | Very high | 92.9 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | trans | -104.4 | -27.3 | 169.3 | -60.5 | -158.3 | 126.5 | 0 | 0 | 111.8 | N460 S491 Q542 K544 S545 K566 | N460-E493 PolarHBondContact O-N 2.93Å; S491-E493 PolarHBondContact O-N 3.43Å; S491-E493 VanDerWaalsContact O-N 3.1Å; E493-Q542 HydrophobicContact CG-CB 4.17Å; E493-K544 HydrophobicContact CB-CD 4.14Å; E493-K544 HydrophobicContact CB-CG 4.24Å; E493-K544 VanDerWaalsContact CD-NZ 3.33Å; E493-K544 PolarHBondContact O-N 2.88Å; E493-K544 VanDerWaalsContact OE1-CE 3.27Å; E493-K544 WeakPolarHBondContact OE1-CE 3.21Å; E493-K544 IonicContact OE1-NZ 3.6Å; E493-K544 VanDerWaalsContact OE2-CE 3.23Å; E493-K544 WeakPolarHBondContact OE2-CE 3.48Å; E493-K544 IonicContact OE2-NZ 3.99Å; E493-K544 PolarHBondContact OE2-NZ 3.39Å; E493-S545 PolarHBondContact O-N 3.07Å; E493-K566 IonicContact OE1-NZ 3.62Å | ||
| 494 | H | 96.4 | Very high | 92.9 | Very high | 29 Ų | 29 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.7 | -178.9 | -53.5 | -103.2 | 0 | 0 | 0 | 111.8 | N460 E461 L462 I492 S545 D1361 | N460-H494 PolarHBondContact O-N 3.11Å; E461-H494 WeakPolarHBondContact CA-O 3.46Å; E461-H494 HydrophobicContact CB-CB 4.42Å; E461-H494 HydrophobicContact CG-CB 4.06Å; E461-H494 IonicContact OE1-CD2 2.64Å; E461-H494 IonicContact OE1-CG 3.64Å; L462-H494 PolarHBondContact N-O 3.24Å; L462-H494 VanDerWaalsContact N-O 3.08Å; I492-H494 WeakPolarHBondContact CG2-O 3.44Å; H494-S545 WeakPolarHBondContact ND1-CB 3.39Å; H494-D1361 IonicContact CE1-OD1 2.71Å |
| 495 | L | 97.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | -179.3 | -175 | 64.1 | 0 | 0 | 0 | 112 | L462 I492 L497 L537 L540 L543 S545 L546 I547 | L462-L495 HydrophobicContact CB-CD1 4.07Å; L462-L495 HydrophobicContact CD2-CD1 4.12Å; L462-L495 HydrophobicContact CG-CD1 4.17Å; I492-L495 HydrophobicContact CG2-CB 4.29Å; L495-L497 HydrophobicContact CD1-CD2 4.02Å; L495-L497 HydrophobicContact CD2-CD1 4.21Å; L495-L497 HydrophobicContact CD2-CD2 4.43Å; L495-L497 HydrophobicContact CD2-CG 4.38Å; L495-L497 HydrophobicContact CG-CD1 4.47Å; L495-L497 HydrophobicContact CG-CD2 4.05Å; L495-L497 HydrophobicContact CG-CG 4.1Å; L495-L537 HydrophobicContact CD2-CD2 3.75Å; L495-L540 HydrophobicContact CD2-CD1 3.84Å; L495-L543 HydrophobicContact CB-CD1 3.66Å; L495-S545 PolarHBondContact N-O 2.85Å; L495-L546 HydrophobicContact CB-CD1 4.24Å; L495-L546 HydrophobicContact CD2-CD1 4.19Å; L495-L546 HydrophobicContact CG-CD1 4.38Å; L495-I547 PolarHBondContact O-N 3.11Å |
| 496 | S | 97.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.7 | -175.9 | -156.6 | 0 | 0 | 0 | 0 | 111.3 | L462 H463 L464 N465 | L462-S496 PolarHBondContact O-N 3.43Å; H463-S496 WeakPolarHBondContact ND1-CB 3.5Å; H463-S496 PolarHBondContact ND1-OG 2.81Å; L464-S496 PolarHBondContact N-O 3.23Å; N465-S496 PolarHBondContact ND2-OG 2.93Å; N465-S496 PolarHBondContact OD1-O 3.04Å; N465-S496 PolarHBondContact OD1-OG 2.87Å; N465-S496 VanDerWaalsContact OD1-OG 3.14Å |
| 497 | L | 96.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -124.9 | 40.7 | -176.5 | -50.6 | -178.1 | 0 | 0 | 0 | 111.8 | L464 N465 L469 L495 C500 L502 I547 L548 N551 | L464-L497 HydrophobicContact CB-CD2 4Å; L464-L497 HydrophobicContact CD1-CD2 3.94Å; L464-L497 HydrophobicContact CG-CD2 4.37Å; N465-L497 PolarHBondContact OD1-N 2.97Å; L469-L497 HydrophobicContact CD1-CD1 4.44Å; L469-L497 HydrophobicContact CD1-CD2 4.11Å; L495-L497 HydrophobicContact CD1-CD2 4.02Å; L495-L497 HydrophobicContact CD2-CD1 4.21Å; L495-L497 HydrophobicContact CD2-CD2 4.43Å; L495-L497 HydrophobicContact CD2-CG 4.38Å; L495-L497 HydrophobicContact CG-CD1 4.47Å; L495-L497 HydrophobicContact CG-CD2 4.05Å; L495-L497 HydrophobicContact CG-CG 4.1Å; L497-C500 PolarHBondContact O-SG 3.45Å; L497-C500 VanDerWaalsContact O-SG 3.37Å; L497-L502 HydrophobicContact CB-CD1 4.33Å; L497-L502 HydrophobicContact CD1-CD1 4.23Å; L497-I547 PolarHBondContact N-O 3.45Å; L497-L548 HydrophobicContact CB-CD2 4.26Å; L497-L548 HydrophobicContact CD1-CD2 4.09Å; L497-N551 PolarHBondContact O-ND2 3.2Å | ||
| 498 | I | 97.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 30.8 Ų | 30.8 | 14% | 0.138 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 134.1 | -176.9 | -56.4 | 172.2 | 0 | 0 | 0 | 110.8 | N465 S466 C500 I547 S549 | N465-I498 CarbonylContact C-O 3.36Å; N465-I498 WeakPolarHBondContact CA-O 3.23Å; N465-I498 HydrophobicContact CB-CB 4.17Å; N465-I498 WeakPolarHBondContact OD1-CB 3.39Å; N465-I498 WeakPolarHBondContact OD1-CG1 3.22Å; N465-I498 PolarHBondContact OD1-N 2.99Å; S466-I498 PolarHBondContact N-O 3.28Å; I498-C500 PolarHBondContact O-N 3.35Å; I498-I547 HydrophobicContact CD1-CG2 3.85Å; I498-I547 HydrophobicContact CG1-CB 4.45Å; I498-I547 HydrophobicContact CG1-CG2 3.52Å; I498-S549 CarbonylContact C-O 3.22Å; I498-S549 VanDerWaalsContact CA-O 3.27Å; I498-S549 WeakPolarHBondContact CA-O 3.43Å |
| 499 | N | 97.1 | Very high | 89.3 | Confident | 68 Ų | 68 | 35.6 Ų | 35.6 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 28.2 | 176.4 | -71.8 | -61.7 | 0 | 0 | 0 | 114.8 | Q501 S549 G550 | N499-Q501 VanDerWaalsContact C-N 3.28Å; N499-Q501 PolarHBondContact O-N 2.84Å; N499-S549 PolarHBondContact N-O 2.84Å; N499-G550 WeakPolarHBondContact CA-O 3.39Å; N499-G550 PolarHBondContact OD1-O 3.43Å |
| 500 | C | 95.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | trans | -81.7 | 2.7 | -176.2 | -70.3 | 0 | 0 | 0 | 0 | 115.3 | L464 I467 L469 L497 I498 L502 N551 | L464-C500 PolarHBondContact O-SG 3.38Å; I467-C500 VanDerWaalsContact O-CA 3.3Å; I467-C500 WeakPolarHBondContact O-CA 3.29Å; I467-C500 WeakPolarHBondContact O-CB 3.5Å; I467-C500 PolarHBondContact O-SG 3.24Å; L469-C500 HydrophobicContact CD1-CB 4.29Å; L469-C500 HydrophobicContact CG-CB 4.1Å; L497-C500 PolarHBondContact O-SG 3.45Å; L497-C500 VanDerWaalsContact O-SG 3.37Å; I498-C500 PolarHBondContact O-N 3.35Å; C500-L502 HydrophobicContact CB-CD1 4.29Å; C500-L502 HydrophobicContact CB-CG 4Å; C500-N551 WeakPolarHBondContact CA-OD1 2.94Å; C500-N551 PolarHBondContact N-OD1 2.82Å | ||
| 501 | Q | 93.4 | Very high | 86.1 | Confident | 80 Ų | 80 | 30.9 Ų | 30.9 | 37% | 0.374 | 16% | 0.155 | S | C | . | . | trans | 63.6 | 35.4 | -178.6 | -47.4 | -166.7 | -60.3 | 0 | 0 | 113.9 | N499 N551 Y552 | N499-Q501 VanDerWaalsContact C-N 3.28Å; N499-Q501 PolarHBondContact O-N 2.84Å; Q501-N551 PolarHBondContact N-OD1 3.17Å; Q501-Y552 HydrophobicContact CB-CD2 4.4Å; Q501-Y552 HydrophobicContact CB-CE2 3.87Å; Q501-Y552 HydrophobicContact CG-CE2 4.18Å | ||
| 502 | L | 92.2 | Very high | 84.5 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -78.6 | 132.3 | 179.1 | -57.4 | 177.1 | 0 | 0 | 0 | 111.4 | L469 L497 C500 M506 F507 L533 L535 L548 N551 Y552 L553 | L469-L502 HydrophobicContact CB-CD2 4.45Å; L469-L502 HydrophobicContact CD1-CD2 4.17Å; L497-L502 HydrophobicContact CB-CD1 4.33Å; L497-L502 HydrophobicContact CD1-CD1 4.23Å; C500-L502 HydrophobicContact CB-CD1 4.29Å; C500-L502 HydrophobicContact CB-CG 4Å; L502-M506 HydrophobicContact CD2-SD 4.23Å; L502-F507 HydrophobicContact CB-CE2 4.27Å; L502-F507 HydrophobicContact CB-CZ 4.41Å; L502-F507 HydrophobicContact CD1-CZ 4.12Å; L502-L533 HydrophobicContact CD2-CD2 3.71Å; L502-L535 HydrophobicContact CD1-CD1 4.28Å; L502-L535 HydrophobicContact CD2-CD1 4.29Å; L502-L548 HydrophobicContact CD1-CD2 4Å; L502-N551 HydrophobicContact CB-CB 4.11Å; L502-N551 PolarHBondContact N-OD1 3.18Å; L502-Y552 CarbonylContact O-C 3.51Å; L502-Y552 WeakPolarHBondContact O-CA 3.37Å; L502-Y552 PolarHBondContact O-N 2.88Å; L502-L553 HydrophobicContact CB-CD2 4.27Å | ||
| 503 | E | 90.8 | Very high | 82.5 | Confident | 80 Ų | 80 | 40.3 Ų | 40.3 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -109.1 | 152.3 | 172.8 | -67.9 | 168.2 | -153 | 0 | 0 | 109.6 | N505 M506 F507 Y552 | E503-N505 WeakPolarHBondContact CB-OD1 3.38Å; E503-N505 PolarHBondContact O-N 3.06Å; E503-N505 PolarHBondContact OE2-ND2 2.56Å; E503-N505 PolarHBondContact OE2-OD1 3.23Å; E503-M506 HydrophobicContact CB-CE 4.01Å; E503-M506 HydrophobicContact CB-CG 4.15Å; E503-M506 HydrophobicContact CG-CE 4.07Å; E503-M506 WeakPolarHBondContact O-CB 3.39Å; E503-M506 WeakPolarHBondContact O-CG 3.32Å; E503-M506 PolarHBondContact O-N 2.96Å; E503-M506 VanDerWaalsContact O-N 3.14Å; E503-F507 WeakPolarHBondContact O-CD2 3.4Å; E503-Y552 HydrophobicContact CG-CD2 4.47Å |
| 504 | A | 86.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -61.7 | -32 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M506 Y555 P557 | A504-M506 PolarHBondContact O-N 3.14Å; A504-Y555 HydrophobicContact CB-CD1 3.73Å; A504-Y555 HydrophobicContact CB-CD2 4.22Å; A504-Y555 HydrophobicContact CB-CE1 3.54Å; A504-Y555 HydrophobicContact CB-CE2 4.05Å; A504-Y555 HydrophobicContact CB-CG 4.06Å; A504-Y555 VanDerWaalsContact CB-O 3.29Å; A504-Y555 WeakPolarHBondContact CB-O 3.12Å; A504-P557 WeakPolarHBondContact O-CG 3.36Å |
| 505 | N | 80.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -59.6 | -29.2 | 176.7 | 58.3 | 22.9 | 0 | 0 | 0 | 113.5 | E503 F507 I508 | E503-N505 WeakPolarHBondContact CB-OD1 3.38Å; E503-N505 PolarHBondContact O-N 3.06Å; E503-N505 PolarHBondContact OE2-ND2 2.56Å; E503-N505 PolarHBondContact OE2-OD1 3.23Å; N505-F507 VanDerWaalsContact C-N 3.28Å; N505-F507 PolarHBondContact O-N 3.13Å; N505-I508 PolarHBondContact O-N 3.28Å |
| 506 | M | 80.9 | Confident | 76 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66.2 | -32.7 | -172.3 | -63.1 | -170.4 | -179.7 | 0 | 0 | 112 | I470 L502 E503 A504 L533 | I470-M506 HydrophobicContact CD1-CE 3.86Å; I470-M506 HydrophobicContact CD1-SD 4.29Å; L502-M506 HydrophobicContact CD2-SD 4.23Å; E503-M506 HydrophobicContact CB-CE 4.01Å; E503-M506 HydrophobicContact CB-CG 4.15Å; E503-M506 HydrophobicContact CG-CE 4.07Å; E503-M506 WeakPolarHBondContact O-CB 3.39Å; E503-M506 WeakPolarHBondContact O-CG 3.32Å; E503-M506 PolarHBondContact O-N 2.96Å; E503-M506 VanDerWaalsContact O-N 3.14Å; A504-M506 PolarHBondContact O-N 3.14Å; M506-L533 HydrophobicContact CB-CB 3.98Å; M506-L533 PolarHBondContact O-N 2.86Å; M506-L533 HydrophobicContact SD-CB 4.5Å; M506-L533 HydrophobicContact SD-CD2 4.32Å |
| 507 | F | 77.7 | Confident | 73.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -81.3 | -19.3 | -175.2 | -61.3 | -99.5 | 0 | 0 | 0 | 113.9 | L502 E503 N505 K509 S510 L535 L537 L553 P557 L560 | L502-F507 HydrophobicContact CB-CE2 4.27Å; L502-F507 HydrophobicContact CB-CZ 4.41Å; L502-F507 HydrophobicContact CD1-CZ 4.12Å; E503-F507 WeakPolarHBondContact O-CD2 3.4Å; N505-F507 VanDerWaalsContact C-N 3.28Å; N505-F507 PolarHBondContact O-N 3.13Å; F507-K509 PolarHBondContact O-N 2.88Å; F507-K509 VanDerWaalsContact O-N 3.12Å; F507-S510 PolarHBondContact O-N 2.99Å; F507-S510 VanDerWaalsContact O-N 3.09Å; F507-S510 PolarHBondContact O-OG 3.04Å; F507-L535 HydrophobicContact CD1-CD1 3.87Å; F507-L535 HydrophobicContact CE1-CD1 3.35Å; F507-L535 HydrophobicContact CZ-CD1 3.73Å; F507-L537 HydrophobicContact CE1-CD1 4.13Å; F507-L553 HydrophobicContact CE2-CD2 3.65Å; F507-L553 HydrophobicContact CZ-CD2 4.3Å; F507-P557 HydrophobicContact CB-CG 4.1Å; F507-L560 HydrophobicContact CB-CD1 4.28Å; F507-L560 HydrophobicContact CD1-CD1 3.68Å; F507-L560 HydrophobicContact CD1-CD2 3.68Å; F507-L560 HydrophobicContact CD1-CG 4.36Å; F507-L560 HydrophobicContact CE1-CD1 4.46Å; F507-L560 HydrophobicContact CE1-CD2 3.93Å; F507-L560 HydrophobicContact CG-CD1 4.38Å; F507-L560 HydrophobicContact CG-CD2 4.24Å |
| 508 | I | 67.8 | Low | 71.5 | Confident | 49 Ų | 49 | 72 Ų | 72 | 25% | 0.251 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.5 | -168.6 | -60.6 | 175 | 0 | 0 | 0 | 111.7 | N505 S510 I511 Y512 | N505-I508 PolarHBondContact O-N 3.28Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.16Å; I508-I511 PolarHBondContact O-N 2.81Å; I508-I511 VanDerWaalsContact O-N 3.13Å; I508-Y512 HydrophobicContact CG2-CD2 3.84Å; I508-Y512 HydrophobicContact CG2-CE2 4.29Å; I508-Y512 PolarHBondContact O-N 3.38Å |
| 509 | K | 63.6 | Low | 69.1 | Low | 101 Ų | 101 | 74.6 Ų | 74.6 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.5 | -23.3 | -176.5 | -165.6 | 170 | -176 | 175.8 | 0 | 114 | F507 I511 H513 Y532 | F507-K509 PolarHBondContact O-N 2.88Å; F507-K509 VanDerWaalsContact O-N 3.12Å; K509-I511 VanDerWaalsContact C-N 3.27Å; K509-I511 PolarHBondContact O-N 3.48Å; K509-H513 VanDerWaalsContact CE-CD2 3.5Å; K509-H513 WeakPolarHBondContact CE-CD2 3.41Å; K509-H513 WeakPolarHBondContact CE-NE2 3.14Å; K509-Y532 HydrophobicContact CB-CD1 4.38Å; K509-Y532 HydrophobicContact CB-CG 4.06Å; K509-Y532 HydrophobicContact CD-CD2 3.9Å; K509-Y532 HydrophobicContact CD-CG 3.91Å |
| 510 | S | 57.7 | Low | 66.5 | Low | 28 Ų | 28 | 79.2 Ų | 79.2 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -78.9 | -9.1 | 177.3 | 71.7 | 0 | 0 | 0 | 0 | 113.8 | F507 I508 N534 | F507-S510 PolarHBondContact O-N 2.99Å; F507-S510 VanDerWaalsContact O-N 3.09Å; F507-S510 PolarHBondContact O-OG 3.04Å; I508-S510 VanDerWaalsContact C-N 3.26Å; I508-S510 PolarHBondContact O-N 3.16Å; S510-N534 VanDerWaalsContact CB-OD1 3.24Å; S510-N534 WeakPolarHBondContact CB-OD1 3.4Å |
| 511 | I | 57.5 | Low | 64.1 | Low | 47 Ų | 47 | 88.3 Ų | 88.3 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -98.7 | -40 | -179.6 | -63.7 | 159.9 | 0 | 0 | 0 | 110.8 | I508 K509 P557 | I508-I511 PolarHBondContact O-N 2.81Å; I508-I511 VanDerWaalsContact O-N 3.13Å; K509-I511 VanDerWaalsContact C-N 3.27Å; K509-I511 PolarHBondContact O-N 3.48Å; I511-P557 HydrophobicContact CD1-CB 3.6Å |
| 512 | Y | 57.1 | Low | 61.7 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -100.2 | 4.9 | -166 | -72 | -76.7 | 0 | 0 | 0 | 116.7 | I508 P514 I585 D588 | I508-Y512 HydrophobicContact CG2-CD2 3.84Å; I508-Y512 HydrophobicContact CG2-CE2 4.29Å; I508-Y512 PolarHBondContact O-N 3.38Å; Y512-P514 VanDerWaalsContact C-CD 3.47Å; Y512-P514 WeakPolarHBondContact O-CD 2.99Å; Y512-I585 HydrophobicContact CE2-CD1 3.74Å; Y512-D588 VanDerWaalsContact CE1-OD2 3.31Å; Y512-D588 WeakPolarHBondContact CE1-OD2 3.17Å; Y512-D588 PolarHBondContact OH-OD2 3.02Å |
| 513 | H | 53.8 | Low | 59.6 | Low | 136 Ų | 136 | 96.9 Ų | 96.9 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | trans | -109.3 | 83.6 | 167.8 | -75.9 | -50.6 | 0 | 0 | 0 | 111.9 | K509 | K509-H513 VanDerWaalsContact CE-CD2 3.5Å; K509-H513 WeakPolarHBondContact CE-CD2 3.41Å; K509-H513 WeakPolarHBondContact CE-NE2 3.14Å | ||
| 514 | P | 50.1 | Low | 57.4 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | trans | -61.4 | 155.4 | 164 | 28.6 | -34.4 | 0 | 0 | 0 | 110.4 | Y512 N516 | Y512-P514 VanDerWaalsContact C-CD 3.47Å; Y512-P514 WeakPolarHBondContact O-CD 2.99Å; P514-N516 PolarHBondContact O-N 3.43Å | ||
| 515 | K | 53.9 | Low | 55.4 | Low | 156 Ų | 156 | 106.7 Ų | 106.7 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -74.4 | 31.1 | -161.6 | -57.4 | -163.1 | 174.4 | -155.6 | 0 | 116.2 | E482 Q517 | E482-K515 IonicContact OE1-NZ 3.54Å; K515-Q517 VanDerWaalsContact C-N 3.26Å; K515-Q517 PolarHBondContact O-N 2.76Å |
| 516 | N | 48.7 | Very low | 53.9 | Low | 145 Ų | 145 | 111.1 Ų | 111.1 | 78% | 0.775 | 55% | 0.554 | S | S | * | * | trans | -82.9 | 66 | 178.5 | -68.8 | -0.5 | 0 | 0 | 0 | 111.4 | P514 H518 | P514-N516 PolarHBondContact O-N 3.43Å; N516-H518 PolarHBondContact O-N 3.22Å | ||
| 517 | Q | 49.9 | Very low | 52.4 | Low | 174 Ų | 174 | 116.1 Ų | 116.1 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | trans | -62.5 | 119.5 | 159.2 | -67.2 | 176 | -37.5 | 0 | 0 | 108.4 | K515 | K515-Q517 VanDerWaalsContact C-N 3.26Å; K515-Q517 PolarHBondContact O-N 2.76Å | ||
| 518 | H | 49.2 | Very low | 51 | Low | 166 Ų | 166 | 123 Ų | 123 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | trans | 165.9 | 44.9 | 149.6 | -94.1 | 60.6 | 0 | 0 | 0 | 111.9 | N516 | N516-H518 PolarHBondContact O-N 3.22Š| ||
| 519 | S | 48.1 | Very low | 50.2 | Low | 83 Ų | 83 | 129.6 Ų | 129.6 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | trans | -137.4 | 122 | 168.3 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | Y521 | S519-Y521 PolarHBondContact O-N 2.94Š| ||
| 520 | N | 42.7 | Very low | 49.8 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | trans | -80.4 | 69.7 | 178.9 | -73.2 | -7 | 0 | 0 | 0 | 110.6 | T522 | N520-T522 PolarHBondContact O-N 2.97Š| ||
| 521 | Y | 44.8 | Very low | 49.7 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | trans | -85.7 | 88.9 | 169.2 | -87.1 | -77.6 | 0 | 0 | 0 | 110.4 | S519 I523 | S519-Y521 PolarHBondContact O-N 2.94Å; Y521-I523 PolarHBondContact O-N 2.91Å | ||
| 522 | T | 43.2 | Very low | 49.9 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | -70.4 | 69.6 | 165.9 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | N520 Q524 | N520-T522 PolarHBondContact O-N 2.97Å; T522-Q524 PolarHBondContact O-N 3.14Å | ||
| 523 | I | 47.8 | Very low | 50.7 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | trans | -78.3 | 75.4 | 163.5 | -56.4 | 177.7 | 0 | 0 | 0 | 106.7 | Y521 | Y521-I523 PolarHBondContact O-N 2.91Š| ||
| 524 | Q | 43 | Very low | 51.8 | Low | 143 Ų | 143 | 127.2 Ų | 127.2 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | trans | -84.2 | 144.9 | 171 | -129.1 | 173.8 | -73.9 | 0 | 0 | 109.1 | T522 | T522-Q524 PolarHBondContact O-N 3.14Š| ||
| 525 | E | 45.3 | Very low | 53.3 | Low | 148 Ų | 148 | 122.6 Ų | 122.6 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 66.7 | 110.3 | 162.5 | -65.8 | 162.5 | -142 | 0 | 0 | 117.5 | ||
| 526 | N | 49.4 | Very low | 54.7 | Low | 153 Ų | 153 | 115.3 Ų | 115.3 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | trans | 116.3 | -5.6 | 156.7 | -58.7 | -62.9 | 0 | 0 | 0 | 118.8 | N528 | N526-N528 PolarHBondContact O-N 2.83Š| ||
| 527 | V | 50.1 | Low | 56.6 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -73 | 108.7 | 157 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | E529 | V527-E529 PolarHBondContact O-N 3.43Š|
| 528 | N | 47.4 | Very low | 58.3 | Low | 147 Ų | 147 | 101 Ų | 101 | 79% | 0.786 | 51% | 0.51 | S | S | * | . | trans | -48.2 | 131.9 | 176.5 | -71.9 | -65 | 0 | 0 | 0 | 110.3 | N526 Q530 | N526-N528 PolarHBondContact O-N 2.83Å; N528-Q530 VanDerWaalsContact C-N 3.26Å; N528-Q530 PolarHBondContact O-N 3.06Å | ||
| 529 | E | 50.9 | Low | 60.1 | Low | 187 Ų | 187 | 95.8 Ų | 95.8 | 87% | 0.874 | 49% | 0.486 | S | S | * | . | trans | -66.7 | 74.7 | -169.7 | -61.8 | 179.4 | 133.4 | 0 | 0 | 113.4 | V527 I531 | V527-E529 PolarHBondContact O-N 3.43Å; E529-I531 PolarHBondContact O-N 3.18Å | ||
| 530 | Q | 54.4 | Low | 62.2 | Low | 122 Ų | 122 | 91.9 Ų | 91.9 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | trans | -69.2 | 99.5 | 160.6 | -72 | -170.7 | -14.4 | 0 | 0 | 107.6 | N528 Y532 | N528-Q530 VanDerWaalsContact C-N 3.26Å; N528-Q530 PolarHBondContact O-N 3.06Å; Q530-Y532 VanDerWaalsContact C-N 3.3Å; Q530-Y532 HydrophobicContact CB-CE1 4.34Å; Q530-Y532 HydrophobicContact CB-CE2 4.22Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.49Å; Q530-Y532 WeakPolarHBondContact O-CE2 3.31Å; Q530-Y532 PolarHBondContact O-N 3.17Å; Q530-Y532 PolarHBondContact OE1-OH 2.83Å | ||
| 531 | I | 57.2 | Low | 64.5 | Low | 92 Ų | 92 | 90.1 Ų | 90.1 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | trans | -68.6 | 88.6 | 178.5 | -58 | 174 | 0 | 0 | 0 | 108.4 | I470 A479 E529 L533 | I470-I531 HydrophobicContact CD1-CB 4.31Å; I470-I531 WeakPolarHBondContact CD1-O 3.45Å; I470-I531 HydrophobicContact CG1-CB 4.35Å; I470-I531 HydrophobicContact CG1-CG2 4.21Å; A479-I531 HydrophobicContact CB-CG2 4.06Å; E529-I531 PolarHBondContact O-N 3.18Å; I531-L533 PolarHBondContact O-N 3.07Å | ||
| 532 | Y | 61.9 | Low | 66.8 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | trans | -66.2 | 118.9 | 177.4 | -61.8 | -74.4 | 0 | 0 | 0 | 110.9 | K509 Q530 N534 | K509-Y532 HydrophobicContact CB-CD1 4.38Å; K509-Y532 HydrophobicContact CB-CG 4.06Å; K509-Y532 HydrophobicContact CD-CD2 3.9Å; K509-Y532 HydrophobicContact CD-CG 3.91Å; Q530-Y532 VanDerWaalsContact C-N 3.3Å; Q530-Y532 HydrophobicContact CB-CE1 4.34Å; Q530-Y532 HydrophobicContact CB-CE2 4.22Å; Q530-Y532 WeakPolarHBondContact O-CD2 3.49Å; Q530-Y532 WeakPolarHBondContact O-CE2 3.31Å; Q530-Y532 PolarHBondContact O-N 3.17Å; Q530-Y532 PolarHBondContact OE1-OH 2.83Å; Y532-N534 PolarHBondContact O-N 2.97Å | ||
| 533 | L | 72.4 | Confident | 69.2 | Low | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -85 | 95.1 | -176.1 | -167.7 | 71.3 | 0 | 0 | 0 | 111 | L469 I470 L502 M506 I531 L535 | L469-L533 HydrophobicContact CB-CD2 3.87Å; I470-L533 HydrophobicContact CB-CD1 4.43Å; L502-L533 HydrophobicContact CD2-CD2 3.71Å; M506-L533 HydrophobicContact CB-CB 3.98Å; M506-L533 PolarHBondContact O-N 2.86Å; M506-L533 HydrophobicContact SD-CB 4.5Å; M506-L533 HydrophobicContact SD-CD2 4.32Å; I531-L533 PolarHBondContact O-N 3.07Å; L533-L535 HydrophobicContact CD2-CD1 4.03Å; L533-L535 HydrophobicContact CD2-CD2 3.91Å; L533-L535 HydrophobicContact CD2-CG 3.84Å; L533-L535 HydrophobicContact CG-CD2 4.26Å; L533-L535 HydrophobicContact CG-CG 4.02Å; L533-L535 PolarHBondContact O-N 3.44Å | ||
| 534 | N | 76.5 | Confident | 71.5 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 91.5 | 173.7 | -176.7 | 22.8 | 0 | 0 | 0 | 111.1 | N480 W481 E482 S510 Y532 G536 | N480-N534 PolarHBondContact OD1-ND2 2.81Å; N480-N534 VanDerWaalsContact OD1-ND2 3.16Å; W481-N534 CarbonylContact C-O 3.33Å; W481-N534 WeakPolarHBondContact CA-O 3.22Å; W481-N534 WeakPolarHBondContact CB-O 3.41Å; W481-N534 PolarHBondContact N-O 2.92Å; E482-N534 WeakPolarHBondContact CB-ND2 3.3Å; E482-N534 PolarHBondContact N-O 2.87Å; E482-N534 VanDerWaalsContact N-O 3.08Å; E482-N534 PolarHBondContact OE2-ND2 2.78Å; S510-N534 VanDerWaalsContact CB-OD1 3.24Å; S510-N534 WeakPolarHBondContact CB-OD1 3.4Å; Y532-N534 PolarHBondContact O-N 2.97Å; N534-G536 VanDerWaalsContact C-N 3.3Å; N534-G536 PolarHBondContact O-N 2.94Å; N534-G536 PolarHBondContact OD1-N 2.77Å |
| 535 | L | 83 | Confident | 74 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | trans | -75.2 | -11.5 | 177.9 | -77.6 | 168.7 | 0 | 0 | 0 | 114.4 | L469 W481 F485 L502 F507 L533 L537 | L469-L535 HydrophobicContact CD1-CD2 3.94Å; W481-L535 HydrophobicContact CB-CD2 4.13Å; W481-L535 HydrophobicContact CG-CD2 4.14Å; F485-L535 WeakPolarHBondContact CD2-O 3.3Å; F485-L535 WeakPolarHBondContact CE2-O 3.18Å; L502-L535 HydrophobicContact CD1-CD1 4.28Å; L502-L535 HydrophobicContact CD2-CD1 4.29Å; F507-L535 HydrophobicContact CD1-CD1 3.87Å; F507-L535 HydrophobicContact CE1-CD1 3.35Å; F507-L535 HydrophobicContact CZ-CD1 3.73Å; L533-L535 HydrophobicContact CD2-CD1 4.03Å; L533-L535 HydrophobicContact CD2-CD2 3.91Å; L533-L535 HydrophobicContact CD2-CG 3.84Å; L533-L535 HydrophobicContact CG-CD2 4.26Å; L533-L535 HydrophobicContact CG-CG 4.02Å; L533-L535 PolarHBondContact O-N 3.44Å; L535-L537 HydrophobicContact CB-CG 4.16Å; L535-L537 PolarHBondContact O-N 2.76Å | ||
| 536 | G | 83.8 | Confident | 76.4 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | trans | 60.1 | 14.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | N534 T538 H539 | N534-G536 VanDerWaalsContact C-N 3.3Å; N534-G536 PolarHBondContact O-N 2.94Å; N534-G536 PolarHBondContact OD1-N 2.77Å; G536-T538 PolarHBondContact O-N 3.2Å; G536-T538 VanDerWaalsContact O-N 3.08Å; G536-H539 WeakPolarHBondContact O-CB 3.45Å; G536-H539 PolarHBondContact O-N 3.19Å | ||
| 537 | L | 87.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -54.5 | -34.9 | -169.8 | -63.6 | -177.5 | 0 | 0 | 0 | 113.4 | L495 F507 L535 H539 L540 L546 L560 L564 | L495-L537 HydrophobicContact CD2-CD2 3.75Å; F507-L537 HydrophobicContact CE1-CD1 4.13Å; L535-L537 HydrophobicContact CB-CG 4.16Å; L535-L537 PolarHBondContact O-N 2.76Å; L537-H539 PolarHBondContact O-N 3.25Å; L537-L540 HydrophobicContact CD2-CD1 3.89Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.67Å; L537-L546 HydrophobicContact CD1-CD2 4.25Å; L537-L560 HydrophobicContact CD1-CD1 4.39Å; L537-L564 WeakPolarHBondContact O-CD2 3.27Å |
| 538 | T | 85.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.4 | -6 | 178.1 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | G536 L560 N563 | G536-T538 PolarHBondContact O-N 3.2Å; G536-T538 VanDerWaalsContact O-N 3.08Å; T538-L560 WeakPolarHBondContact CG2-O 3.35Å; T538-N563 PolarHBondContact O-ND2 2.82Å |
| 539 | H | 86.4 | Confident | 83.2 | Confident | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -98.8 | -13.8 | 174 | -62.7 | -53.8 | 0 | 0 | 0 | 114.3 | E482 G536 L537 K541 | E482-H539 IonicContact OE1-CD2 3.31Å; E482-H539 IonicContact OE1-NE2 3.23Å; G536-H539 WeakPolarHBondContact O-CB 3.45Å; G536-H539 PolarHBondContact O-N 3.19Å; L537-H539 PolarHBondContact O-N 3.25Å; H539-K541 PolarHBondContact O-N 2.92Å |
| 540 | L | 92 | Very high | 85.4 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -80.7 | 62.5 | -177.9 | -54.1 | -175.6 | 0 | 0 | 0 | 111.8 | F485 K489 I492 L495 L537 Q542 L543 L564 | F485-L540 HydrophobicContact CB-CD2 4.13Å; K489-L540 HydrophobicContact CB-CD2 4.22Å; I492-L540 HydrophobicContact CD1-CD1 4.26Å; I492-L540 HydrophobicContact CD1-CD2 4Å; L495-L540 HydrophobicContact CD2-CD1 3.84Å; L537-L540 HydrophobicContact CD2-CD1 3.89Å; L537-L540 WeakPolarHBondContact O-CB 3.37Å; L537-L540 PolarHBondContact O-N 2.67Å; L540-Q542 PolarHBondContact O-N 2.99Å; L540-L543 HydrophobicContact CB-CB 4.15Å; L540-L543 HydrophobicContact CD1-CD2 4.45Å; L540-L543 VanDerWaalsContact O-CB 3.23Å; L540-L543 WeakPolarHBondContact O-CB 3.42Å; L540-L543 PolarHBondContact O-N 2.98Å; L540-L564 HydrophobicContact CB-CD2 4.39Å; L540-L564 VanDerWaalsContact O-CD2 3.26Å; L540-L564 WeakPolarHBondContact O-CD2 3.4Å | ||
| 541 | K | 91.7 | Very high | 87.5 | Confident | 127 Ų | 127 | 25.8 Ų | 25.8 | 55% | 0.552 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -14.8 | -168.6 | -69.1 | -174.3 | 176.4 | -173.3 | 0 | 115.8 | H539 | H539-K541 PolarHBondContact O-N 2.92Š|
| 542 | Q | 92.8 | Very high | 89.2 | Confident | 61 Ų | 61 | 26 Ų | 26 | 29% | 0.285 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -9 | 175.9 | -53.3 | -58.5 | -10.2 | 0 | 0 | 114 | N490 I492 E493 L540 K544 | N490-Q542 WeakPolarHBondContact O-CG 3.5Å; I492-Q542 CarbonylContact O-C 3.51Å; I492-Q542 WeakPolarHBondContact O-CB 3.42Å; E493-Q542 HydrophobicContact CG-CB 4.17Å; L540-Q542 PolarHBondContact O-N 2.99Å; Q542-K544 PolarHBondContact O-N 3.26Å |
| 543 | L | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -61.1 | 117.9 | -170.3 | -166.4 | 72.4 | 0 | 0 | 0 | 112 | I492 L495 L540 L546 L564 K566 L567 | I492-L543 HydrophobicContact CG2-CD1 3.82Å; I492-L543 PolarHBondContact O-N 3.08Å; L495-L543 HydrophobicContact CB-CD1 3.66Å; L540-L543 HydrophobicContact CB-CB 4.15Å; L540-L543 HydrophobicContact CD1-CD2 4.45Å; L540-L543 VanDerWaalsContact O-CB 3.23Å; L540-L543 WeakPolarHBondContact O-CB 3.42Å; L540-L543 PolarHBondContact O-N 2.98Å; L543-L546 HydrophobicContact CD2-CB 4.12Å; L543-L546 HydrophobicContact CD2-CD1 4.36Å; L543-L546 HydrophobicContact CD2-CD2 4.41Å; L543-L564 HydrophobicContact CB-CD2 4.27Å; L543-L564 HydrophobicContact CD2-CD1 4.2Å; L543-K566 CarbonylContact O-C 3.55Å; L543-K566 VanDerWaalsContact O-C 3.3Å; L543-L567 HydrophobicContact CD2-CD1 4.34Å; L543-L567 HydrophobicContact CG-CD1 4.37Å; L543-L567 WeakPolarHBondContact O-CA 3.34Å; L543-L567 PolarHBondContact O-N 2.71Å; L543-L567 VanDerWaalsContact O-N 3.09Å | ||
| 544 | K | 95 | Very high | 91.7 | Very high | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.087 | 13% | 0.125 | C | C | . | . | trans | -93.9 | -46.6 | 173.6 | -59.2 | 172.8 | -178.3 | 155.5 | 0 | 111.7 | E493 Q542 L567 N568 S569 D1361 | E493-K544 HydrophobicContact CB-CD 4.14Å; E493-K544 HydrophobicContact CB-CG 4.24Å; E493-K544 VanDerWaalsContact CD-NZ 3.33Å; E493-K544 PolarHBondContact O-N 2.88Å; E493-K544 VanDerWaalsContact OE1-CE 3.27Å; E493-K544 WeakPolarHBondContact OE1-CE 3.21Å; E493-K544 IonicContact OE1-NZ 3.6Å; E493-K544 VanDerWaalsContact OE2-CE 3.23Å; E493-K544 WeakPolarHBondContact OE2-CE 3.48Å; E493-K544 IonicContact OE2-NZ 3.99Å; E493-K544 PolarHBondContact OE2-NZ 3.39Å; Q542-K544 PolarHBondContact O-N 3.26Å; K544-L567 CarbonylContact O-C 3.49Å; K544-L567 WeakPolarHBondContact O-CA 3.45Å; K544-L567 WeakPolarHBondContact O-CD1 3.48Å; K544-N568 PolarHBondContact O-N 3Å; K544-N568 PolarHBondContact O-OD1 2.95Å; K544-S569 PolarHBondContact O-N 3.41Å; K544-D1361 WeakPolarHBondContact CD-OD1 3.24Å | ||
| 545 | S | 95.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.7 | -172.4 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | E493 H494 L495 S569 | E493-S545 PolarHBondContact O-N 3.07Å; H494-S545 WeakPolarHBondContact ND1-CB 3.39Å; L495-S545 PolarHBondContact N-O 2.85Å; S545-S569 WeakPolarHBondContact CA-O 3.35Å; S545-S569 WeakPolarHBondContact OG-CB 3.25Å; S545-S569 PolarHBondContact OG-OG 2.93Å |
| 546 | L | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.1 | 178 | 179.7 | 57.2 | 0 | 0 | 0 | 110.7 | L495 L537 L543 L548 F561 L567 S569 L570 V571 | L495-L546 HydrophobicContact CB-CD1 4.24Å; L495-L546 HydrophobicContact CD2-CD1 4.19Å; L495-L546 HydrophobicContact CG-CD1 4.38Å; L537-L546 HydrophobicContact CD1-CD2 4.25Å; L543-L546 HydrophobicContact CD2-CB 4.12Å; L543-L546 HydrophobicContact CD2-CD1 4.36Å; L543-L546 HydrophobicContact CD2-CD2 4.41Å; L546-L548 HydrophobicContact CD1-CG 4.24Å; L546-L548 HydrophobicContact CD2-CD1 3.93Å; L546-L548 HydrophobicContact CD2-CG 4.46Å; L546-L548 HydrophobicContact CG-CD1 4.04Å; L546-L548 HydrophobicContact CG-CG 4.08Å; L546-F561 HydrophobicContact CD2-CD1 4.28Å; L546-F561 HydrophobicContact CD2-CE1 3.5Å; L546-F561 HydrophobicContact CD2-CZ 4.03Å; L546-L567 HydrophobicContact CB-CD1 3.76Å; L546-S569 PolarHBondContact N-O 2.77Å; L546-L570 HydrophobicContact CB-CD1 4.33Å; L546-L570 HydrophobicContact CD2-CD1 4.35Å; L546-L570 HydrophobicContact CG-CD1 4.39Å; L546-V571 PolarHBondContact O-N 3.09Å |
| 547 | I | 96.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 8% | 0.077 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.2 | -179.2 | -50.5 | 175 | 0 | 0 | 0 | 109.7 | L495 L497 I498 V571 V1364 | L495-I547 PolarHBondContact O-N 3.11Å; L497-I547 PolarHBondContact N-O 3.45Å; I498-I547 HydrophobicContact CD1-CG2 3.85Å; I498-I547 HydrophobicContact CG1-CB 4.45Å; I498-I547 HydrophobicContact CG1-CG2 3.52Å; I547-V571 HydrophobicContact CB-CB 4.42Å; I547-V571 HydrophobicContact CG1-CB 4.31Å; I547-V571 HydrophobicContact CG1-CG2 4.28Å; I547-V571 HydrophobicContact CG2-CB 4.07Å; I547-V571 HydrophobicContact CG2-CG1 4.2Å; I547-V1364 HydrophobicContact CD1-CG1 3.66Å; I547-V1364 HydrophobicContact CD1-CG2 4.36Å |
| 548 | L | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -118.9 | 18.8 | -176.1 | -75.4 | 166.9 | 0 | 0 | 0 | 112.4 | L497 L502 L546 N551 L553 F561 V571 L572 N575 | L497-L548 HydrophobicContact CB-CD2 4.26Å; L497-L548 HydrophobicContact CD1-CD2 4.09Å; L502-L548 HydrophobicContact CD1-CD2 4Å; L546-L548 HydrophobicContact CD1-CG 4.24Å; L546-L548 HydrophobicContact CD2-CD1 3.93Å; L546-L548 HydrophobicContact CD2-CG 4.46Å; L546-L548 HydrophobicContact CG-CD1 4.04Å; L546-L548 HydrophobicContact CG-CG 4.08Å; L548-N551 PolarHBondContact O-ND2 2.77Å; L548-L553 HydrophobicContact CB-CD1 4.21Å; L548-L553 HydrophobicContact CD1-CD1 4.38Å; L548-F561 HydrophobicContact CD1-CZ 4.47Å; L548-V571 PolarHBondContact N-O 2.94Å; L548-L572 HydrophobicContact CB-CD2 3.89Å; L548-L572 HydrophobicContact CD1-CD2 4.02Å; L548-N575 PolarHBondContact O-ND2 3.29Å | ||
| 549 | S | 96.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 6% | 0.056 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 148.3 | -172.6 | -44 | 0 | 0 | 0 | 0 | 114.5 | I498 N499 N551 V571 T573 | I498-S549 CarbonylContact C-O 3.22Å; I498-S549 VanDerWaalsContact CA-O 3.27Å; I498-S549 WeakPolarHBondContact CA-O 3.43Å; N499-S549 PolarHBondContact N-O 2.84Å; S549-N551 VanDerWaalsContact C-N 3.32Å; S549-N551 PolarHBondContact O-N 2.84Å; S549-N551 PolarHBondContact O-ND2 3.47Å; S549-V571 VanDerWaalsContact OG-CG1 3.3Å; S549-V571 WeakPolarHBondContact OG-CG1 3.42Å; S549-T573 CarbonylContact C-O 3.49Å; S549-T573 WeakPolarHBondContact CA-O 3.27Å; S549-T573 WeakPolarHBondContact CB-O 3.47Å |
| 550 | G | 97 | Very high | 92.2 | Very high | 8 Ų | 8 | 25.1 Ų | 25.1 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 22.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | N499 T573 Q574 | N499-G550 WeakPolarHBondContact CA-O 3.39Å; N499-G550 PolarHBondContact OD1-O 3.43Å; G550-T573 PolarHBondContact N-O 3.04Å; G550-Q574 VanDerWaalsContact CA-O 3.27Å; G550-Q574 WeakPolarHBondContact CA-O 3.24Å; G550-Q574 PolarHBondContact N-O 3.19Å |
| 551 | N | 96.6 | Very high | 92 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -97.9 | -171.5 | 175.1 | -73.4 | -69.4 | 0 | 0 | 0 | 111 | L497 C500 Q501 L502 L548 S549 L553 N575 | L497-N551 PolarHBondContact O-ND2 3.2Å; C500-N551 WeakPolarHBondContact CA-OD1 2.94Å; C500-N551 PolarHBondContact N-OD1 2.82Å; Q501-N551 PolarHBondContact N-OD1 3.17Å; L502-N551 HydrophobicContact CB-CB 4.11Å; L502-N551 PolarHBondContact N-OD1 3.18Å; L548-N551 PolarHBondContact O-ND2 2.77Å; S549-N551 VanDerWaalsContact C-N 3.32Å; S549-N551 PolarHBondContact O-N 2.84Å; S549-N551 PolarHBondContact O-ND2 3.47Å; N551-L553 HydrophobicContact CB-CG 4.14Å; N551-N575 VanDerWaalsContact CA-OD1 3.32Å; N551-N575 WeakPolarHBondContact CA-OD1 3.46Å; N551-N575 VanDerWaalsContact CB-OD1 3.23Å; N551-N575 WeakPolarHBondContact CB-OD1 3.35Å; N551-N575 PolarHBondContact N-OD1 3.23Å; N551-N575 PolarHBondContact O-OD1 2.84Å |
| 552 | Y | 94.8 | Very high | 91.5 | Very high | 96 Ų | 96 | 24.5 Ų | 24.5 | 38% | 0.376 | 12% | 0.115 | S | C | . | . | B | Isolated β-bridge | trans | -111.1 | 42 | -177.9 | -49.5 | -43.6 | 0 | 0 | 0 | 110.6 | Q501 L502 E503 E554 | Q501-Y552 HydrophobicContact CB-CD2 4.4Å; Q501-Y552 HydrophobicContact CB-CE2 3.87Å; Q501-Y552 HydrophobicContact CG-CE2 4.18Å; L502-Y552 CarbonylContact O-C 3.51Å; L502-Y552 WeakPolarHBondContact O-CA 3.37Å; L502-Y552 PolarHBondContact O-N 2.88Å; E503-Y552 HydrophobicContact CG-CD2 4.47Å; Y552-E554 PolarHBondContact O-N 3.25Å |
| 553 | L | 93.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -80.8 | 106.9 | 179.4 | -52.7 | 177.9 | 0 | 0 | 0 | 109.8 | L502 F507 L548 N551 I556 L572 N575 Q576 L577 | L502-L553 HydrophobicContact CB-CD2 4.27Å; F507-L553 HydrophobicContact CE2-CD2 3.65Å; F507-L553 HydrophobicContact CZ-CD2 4.3Å; L548-L553 HydrophobicContact CB-CD1 4.21Å; L548-L553 HydrophobicContact CD1-CD1 4.38Å; N551-L553 HydrophobicContact CB-CG 4.14Å; L553-I556 HydrophobicContact CB-CD1 4.32Å; L553-I556 HydrophobicContact CD1-CD1 3.86Å; L553-L572 HydrophobicContact CD1-CD2 4.01Å; L553-N575 HydrophobicContact CB-CB 4.17Å; L553-N575 WeakPolarHBondContact CB-OD1 3.43Å; L553-N575 VanDerWaalsContact CG-OD1 3.25Å; L553-N575 WeakPolarHBondContact CG-OD1 3.31Å; L553-N575 PolarHBondContact N-OD1 3.2Å; L553-Q576 CarbonylContact O-C 3.57Å; L553-Q576 WeakPolarHBondContact O-CA 3.31Å; L553-Q576 PolarHBondContact O-N 3.12Å; L553-L577 HydrophobicContact CB-CD2 4.29Å; L553-L577 WeakPolarHBondContact O-CD2 3.47Å; L553-L577 PolarHBondContact O-N 3.09Å; L553-L577 VanDerWaalsContact O-N 3.16Å | ||
| 554 | E | 92.8 | Very high | 90.9 | Very high | 103 Ų | 103 | 25.7 Ų | 25.7 | 48% | 0.481 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -79.6 | -27.1 | 173.3 | -63.5 | 179.4 | 177.7 | 0 | 0 | 112.6 | Y552 Q576 L577 L578 | Y552-E554 PolarHBondContact O-N 3.25Å; E554-Q576 HydrophobicContact CG-CB 4.36Å; E554-L577 WeakPolarHBondContact O-CA 3.24Å; E554-L578 PolarHBondContact O-N 3.04Å |
| 555 | Y | 90.5 | Very high | 90.6 | Very high | 46 Ų | 46 | 29.7 Ų | 29.7 | 18% | 0.18 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -153.8 | 170.1 | 173.9 | 64.6 | -84.8 | 0 | 0 | 0 | 109.7 | A504 P557 | A504-Y555 HydrophobicContact CB-CD1 3.73Å; A504-Y555 HydrophobicContact CB-CD2 4.22Å; A504-Y555 HydrophobicContact CB-CE1 3.54Å; A504-Y555 HydrophobicContact CB-CE2 4.05Å; A504-Y555 HydrophobicContact CB-CG 4.06Å; A504-Y555 VanDerWaalsContact CB-O 3.29Å; A504-Y555 WeakPolarHBondContact CB-O 3.12Å; Y555-P557 HydrophobicContact CD2-CG 4.31Å; Y555-P557 HydrophobicContact CE2-CB 4.46Å; Y555-P557 HydrophobicContact CE2-CG 3.85Å |
| 556 | I | 90.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | trans | -109.6 | 123.2 | 171 | -49.9 | -60.5 | 0 | 0 | 0 | 108.8 | L553 L560 F561 L572 L577 L622 | L553-I556 HydrophobicContact CB-CD1 4.32Å; L553-I556 HydrophobicContact CD1-CD1 3.86Å; I556-L560 HydrophobicContact CG2-CB 4.39Å; I556-L560 HydrophobicContact CG2-CD2 3.93Å; I556-F561 HydrophobicContact CG2-CE2 4.15Å; I556-F561 HydrophobicContact CG2-CZ 4.2Å; I556-L572 HydrophobicContact CD1-CD1 4.33Å; I556-L572 HydrophobicContact CD1-CD2 3.74Å; I556-L572 HydrophobicContact CG1-CD1 4.32Å; I556-L577 HydrophobicContact CD1-CD2 4.07Å; I556-L577 HydrophobicContact CG1-CD2 4.16Å; I556-L622 HydrophobicContact CG1-CD2 4.4Å; I556-L622 WeakPolarHBondContact CG2-O 3.42Å | ||
| 557 | P | 84.4 | Confident | 90.2 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | trans | -62.3 | 147.7 | -177.7 | -30.2 | 39.3 | 0 | 0 | 0 | 114.9 | A504 F507 I511 Y555 G559 L560 G623 | A504-P557 WeakPolarHBondContact O-CG 3.36Å; F507-P557 HydrophobicContact CB-CG 4.1Å; I511-P557 HydrophobicContact CD1-CB 3.6Å; Y555-P557 HydrophobicContact CD2-CG 4.31Å; Y555-P557 HydrophobicContact CE2-CB 4.46Å; Y555-P557 HydrophobicContact CE2-CG 3.85Å; P557-G559 PolarHBondContact O-N 3.47Å; P557-L560 WeakPolarHBondContact O-CB 3.34Å; P557-L560 PolarHBondContact O-N 3.42Å; P557-G623 VanDerWaalsContact O-CA 3.27Å; P557-G623 WeakPolarHBondContact O-CA 3.49Å | ||
| 558 | P | 80 | Confident | 90.1 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 128 | -170.2 | 25.1 | -34.6 | 0 | 0 | 0 | 113 | L560 E582 | P558-L560 VanDerWaalsContact C-N 3.29Å; P558-L560 PolarHBondContact O-N 2.8Å; P558-E582 VanDerWaalsContact CA-OE1 3.26Å; P558-E582 WeakPolarHBondContact CA-OE1 3.41Å; P558-E582 HydrophobicContact CB-CB 4.23Å; P558-E582 HydrophobicContact CB-CG 4.15Å |
| 559 | G | 80.8 | Confident | 89.9 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 18.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | P557 F561 K562 E582 G623 | P557-G559 PolarHBondContact O-N 3.47Å; G559-F561 PolarHBondContact O-N 2.74Å; G559-F561 VanDerWaalsContact O-N 3.14Å; G559-K562 WeakPolarHBondContact O-CB 3.06Å; G559-K562 PolarHBondContact O-N 3.15Å; G559-E582 PolarHBondContact N-OE1 3Å; G559-G623 CarbonylContact C-O 3.56Å; G559-G623 WeakPolarHBondContact CA-O 3.32Å; G559-G623 PolarHBondContact N-O 3.06Å; G559-G623 VanDerWaalsContact N-O 3.11Å |
| 560 | L | 86.2 | Confident | 89.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -31 | 172.8 | 177.8 | 59.9 | 0 | 0 | 0 | 112.6 | F507 L537 T538 I556 P557 P558 G623 | F507-L560 HydrophobicContact CB-CD1 4.28Å; F507-L560 HydrophobicContact CD1-CD1 3.68Å; F507-L560 HydrophobicContact CD1-CD2 3.68Å; F507-L560 HydrophobicContact CD1-CG 4.36Å; F507-L560 HydrophobicContact CE1-CD1 4.46Å; F507-L560 HydrophobicContact CE1-CD2 3.93Å; F507-L560 HydrophobicContact CG-CD1 4.38Å; F507-L560 HydrophobicContact CG-CD2 4.24Å; L537-L560 HydrophobicContact CD1-CD1 4.39Å; T538-L560 WeakPolarHBondContact CG2-O 3.35Å; I556-L560 HydrophobicContact CG2-CB 4.39Å; I556-L560 HydrophobicContact CG2-CD2 3.93Å; P557-L560 WeakPolarHBondContact O-CB 3.34Å; P557-L560 PolarHBondContact O-N 3.42Å; P558-L560 VanDerWaalsContact C-N 3.29Å; P558-L560 PolarHBondContact O-N 2.8Å; L560-G623 PolarHBondContact N-O 3.05Å |
| 561 | F | 88.8 | Confident | 89.8 | Confident | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 13.5 | 178.8 | -51.4 | -39.2 | 0 | 0 | 0 | 113.4 | L546 L548 I556 G559 N563 L564 L567 L570 L622 F624 | L546-F561 HydrophobicContact CD2-CD1 4.28Å; L546-F561 HydrophobicContact CD2-CE1 3.5Å; L546-F561 HydrophobicContact CD2-CZ 4.03Å; L548-F561 HydrophobicContact CD1-CZ 4.47Å; I556-F561 HydrophobicContact CG2-CE2 4.15Å; I556-F561 HydrophobicContact CG2-CZ 4.2Å; G559-F561 PolarHBondContact O-N 2.74Å; G559-F561 VanDerWaalsContact O-N 3.14Å; F561-N563 PolarHBondContact O-N 2.65Å; F561-L564 HydrophobicContact CB-CB 4.4Å; F561-L564 HydrophobicContact CB-CD1 4Å; F561-L564 HydrophobicContact CB-CG 4.43Å; F561-L564 HydrophobicContact CD1-CD1 3.67Å; F561-L564 HydrophobicContact CG-CD1 4.19Å; F561-L564 WeakPolarHBondContact O-CB 3.46Å; F561-L564 PolarHBondContact O-N 2.76Å; F561-L567 HydrophobicContact CB-CD2 4.4Å; F561-L567 HydrophobicContact CD1-CD2 4.47Å; F561-L567 HydrophobicContact CD2-CD2 4.29Å; F561-L567 HydrophobicContact CG-CD2 4.13Å; F561-L570 HydrophobicContact CD2-CD2 4.47Å; F561-L570 HydrophobicContact CE2-CD1 4.16Å; F561-L570 HydrophobicContact CE2-CD2 3.72Å; F561-L570 HydrophobicContact CZ-CD1 3.99Å; F561-L570 HydrophobicContact CZ-CD2 4.37Å; F561-L622 WeakPolarHBondContact CD2-O 3.39Å; F561-L622 WeakPolarHBondContact CE2-O 3.41Å; F561-F624 HydrophobicContact CB-CD1 4.4Å; F561-F624 HydrophobicContact CB-CE1 4.18Å; F561-F624 HydrophobicContact CD2-CD2 4.13Å; F561-F624 HydrophobicContact CD2-CE1 4.16Å; F561-F624 AromaticContact CD2-CE2 3.72Å; F561-F624 HydrophobicContact CD2-CE2 3.72Å; F561-F624 AromaticContact CD2-CZ 3.74Å; F561-F624 HydrophobicContact CD2-CZ 3.74Å; F561-F624 HydrophobicContact CE2-CE2 4.16Å; F561-F624 HydrophobicContact CE2-CZ 4.43Å |
| 562 | K | 80 | Confident | 89.8 | Confident | 107 Ų | 107 | 34.3 Ų | 34.3 | 47% | 0.465 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 125.3 | 172.2 | -168.7 | 179.2 | -175.2 | -175.6 | 0 | 108.8 | G559 | G559-K562 WeakPolarHBondContact O-CB 3.06Å; G559-K562 PolarHBondContact O-N 3.15Å |
| 563 | N | 85.1 | Confident | 89.9 | Confident | 77 Ų | 77 | 29.9 Ų | 29.9 | 41% | 0.412 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -2.5 | -171.2 | -39.8 | -41.7 | 0 | 0 | 0 | 117.4 | T538 F561 N565 | T538-N563 PolarHBondContact O-ND2 2.82Å; F561-N563 PolarHBondContact O-N 2.65Å; N563-N565 WeakPolarHBondContact CA-OD1 3.23Å; N563-N565 PolarHBondContact O-N 2.77Å; N563-N565 PolarHBondContact O-OD1 3.07Å |
| 564 | L | 90.1 | Very high | 90 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | trans | -82 | 58 | 176.8 | -64.5 | -173.4 | 0 | 0 | 0 | 112 | L537 L540 L543 F561 K566 L567 | L537-L564 WeakPolarHBondContact O-CD2 3.27Å; L540-L564 HydrophobicContact CB-CD2 4.39Å; L540-L564 VanDerWaalsContact O-CD2 3.26Å; L540-L564 WeakPolarHBondContact O-CD2 3.4Å; L543-L564 HydrophobicContact CB-CD2 4.27Å; L543-L564 HydrophobicContact CD2-CD1 4.2Å; F561-L564 HydrophobicContact CB-CB 4.4Å; F561-L564 HydrophobicContact CB-CD1 4Å; F561-L564 HydrophobicContact CB-CG 4.43Å; F561-L564 HydrophobicContact CD1-CD1 3.67Å; F561-L564 HydrophobicContact CG-CD1 4.19Å; F561-L564 WeakPolarHBondContact O-CB 3.46Å; F561-L564 PolarHBondContact O-N 2.76Å; L564-K566 PolarHBondContact O-N 3.13Å; L564-L567 HydrophobicContact CB-CB 4.01Å; L564-L567 HydrophobicContact CD1-CD2 4.26Å; L564-L567 WeakPolarHBondContact O-CB 3.34Å; L564-L567 PolarHBondContact O-N 2.85Å | ||
| 565 | N | 88.7 | Confident | 90.2 | Very high | 104 Ų | 104 | 30 Ų | 30 | 56% | 0.556 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 9.7 | -170.6 | -63 | 26 | 0 | 0 | 0 | 114.5 | N563 N600 | N563-N565 WeakPolarHBondContact CA-OD1 3.23Å; N563-N565 PolarHBondContact O-N 2.77Å; N563-N565 PolarHBondContact O-OD1 3.07Å; N565-N600 VanDerWaalsContact C-ND2 3.33Å; N565-N600 PolarHBondContact O-ND2 2.86Å |
| 566 | K | 92 | Very high | 90.5 | Very high | 88 Ų | 88 | 31.3 Ų | 31.3 | 38% | 0.383 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -8 | 169.7 | -78.8 | -164 | 176.5 | 176.5 | 0 | 114 | E493 L543 L564 N568 | E493-K566 IonicContact OE1-NZ 3.62Å; L543-K566 CarbonylContact O-C 3.55Å; L543-K566 VanDerWaalsContact O-C 3.3Å; L564-K566 PolarHBondContact O-N 3.13Å; K566-N568 PolarHBondContact O-N 2.99Å; K566-N568 VanDerWaalsContact O-N 3.11Å |
| 567 | L | 93 | Very high | 90.7 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 15% | 0.153 | C | C | . | . | trans | -64.4 | 114.7 | -173.3 | -171.6 | 77 | 0 | 0 | 0 | 109.9 | L543 K544 L546 F561 L564 F624 | L543-L567 HydrophobicContact CD2-CD1 4.34Å; L543-L567 HydrophobicContact CG-CD1 4.37Å; L543-L567 WeakPolarHBondContact O-CA 3.34Å; L543-L567 PolarHBondContact O-N 2.71Å; L543-L567 VanDerWaalsContact O-N 3.09Å; K544-L567 CarbonylContact O-C 3.49Å; K544-L567 WeakPolarHBondContact O-CA 3.45Å; K544-L567 WeakPolarHBondContact O-CD1 3.48Å; L546-L567 HydrophobicContact CB-CD1 3.76Å; F561-L567 HydrophobicContact CB-CD2 4.4Å; F561-L567 HydrophobicContact CD1-CD2 4.47Å; F561-L567 HydrophobicContact CD2-CD2 4.29Å; F561-L567 HydrophobicContact CG-CD2 4.13Å; L564-L567 HydrophobicContact CB-CB 4.01Å; L564-L567 HydrophobicContact CD1-CD2 4.26Å; L564-L567 WeakPolarHBondContact O-CB 3.34Å; L564-L567 PolarHBondContact O-N 2.85Å; L567-F624 HydrophobicContact CD2-CE1 4.26Å; L567-F624 HydrophobicContact CD2-CZ 3.92Å | ||
| 568 | N | 92.8 | Very high | 91.1 | Very high | 34 Ų | 34 | 34.3 Ų | 34.3 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | trans | -118.8 | -23.2 | -178.9 | 67.4 | 1.4 | 0 | 0 | 0 | 112.3 | K544 K566 L602 S603 R604 D1361 | K544-N568 PolarHBondContact O-N 3Å; K544-N568 PolarHBondContact O-OD1 2.95Å; K566-N568 PolarHBondContact O-N 2.99Å; K566-N568 VanDerWaalsContact O-N 3.11Å; N568-L602 CarbonylContact O-C 3.52Å; N568-L602 WeakPolarHBondContact O-CA 3.46Å; N568-L602 WeakPolarHBondContact O-CB 3.29Å; N568-S603 PolarHBondContact O-N 2.79Å; N568-S603 PolarHBondContact O-OG 3.13Å; N568-R604 PolarHBondContact O-N 2.91Å; N568-D1361 PolarHBondContact ND2-OD2 3.17Å | ||
| 569 | S | 94 | Very high | 91.6 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 116.8 | -178.7 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | K544 S545 L546 R604 | K544-S569 PolarHBondContact O-N 3.41Å; S545-S569 WeakPolarHBondContact CA-O 3.35Å; S545-S569 WeakPolarHBondContact OG-CB 3.25Å; S545-S569 PolarHBondContact OG-OG 2.93Å; L546-S569 PolarHBondContact N-O 2.77Å; S569-R604 WeakPolarHBondContact CA-O 3.12Å |
| 570 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 118.6 | 176.8 | -179.6 | 60.7 | 0 | 0 | 0 | 110.3 | L546 F561 L572 L602 R604 L605 D606 F624 | L546-L570 HydrophobicContact CB-CD1 4.33Å; L546-L570 HydrophobicContact CD2-CD1 4.35Å; L546-L570 HydrophobicContact CG-CD1 4.39Å; F561-L570 HydrophobicContact CD2-CD2 4.47Å; F561-L570 HydrophobicContact CE2-CD1 4.16Å; F561-L570 HydrophobicContact CE2-CD2 3.72Å; F561-L570 HydrophobicContact CZ-CD1 3.99Å; F561-L570 HydrophobicContact CZ-CD2 4.37Å; L570-L572 HydrophobicContact CD1-CD1 4.42Å; L570-L572 HydrophobicContact CD1-CG 4.25Å; L570-L572 HydrophobicContact CD2-CD1 3.93Å; L570-L572 HydrophobicContact CG-CD1 4.01Å; L570-L572 HydrophobicContact CG-CG 4.16Å; L570-L602 HydrophobicContact CB-CD1 4.07Å; L570-L602 HydrophobicContact CB-CD2 4.45Å; L570-L602 HydrophobicContact CD2-CD1 4.46Å; L570-R604 PolarHBondContact N-O 3.3Å; L570-L605 HydrophobicContact CB-CD1 4.35Å; L570-L605 HydrophobicContact CD2-CD1 4.28Å; L570-L605 HydrophobicContact CG-CD1 4.4Å; L570-L605 WeakPolarHBondContact O-CA 3.39Å; L570-D606 PolarHBondContact O-N 3.1Å; L570-F624 HydrophobicContact CD2-CE2 3.79Å; L570-F624 HydrophobicContact CD2-CZ 4.2Å |
| 571 | V | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.3 | -176.7 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | L546 I547 L548 S549 T573 D606 | L546-V571 PolarHBondContact O-N 3.09Å; I547-V571 HydrophobicContact CB-CB 4.42Å; I547-V571 HydrophobicContact CG1-CB 4.31Å; I547-V571 HydrophobicContact CG1-CG2 4.28Å; I547-V571 HydrophobicContact CG2-CB 4.07Å; I547-V571 HydrophobicContact CG2-CG1 4.2Å; L548-V571 PolarHBondContact N-O 2.94Å; S549-V571 VanDerWaalsContact OG-CG1 3.3Å; S549-V571 WeakPolarHBondContact OG-CG1 3.42Å; V571-T573 WeakPolarHBondContact CG1-OG1 3.41Å; V571-D606 HydrophobicContact CB-CB 4.46Å; V571-D606 HydrophobicContact CG1-CB 3.97Å |
| 572 | L | 96.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -118.8 | 15.3 | -175.3 | -73.2 | 166.6 | 0 | 0 | 0 | 112.7 | L548 L553 I556 L570 N575 L577 D606 L607 N610 L622 | L548-L572 HydrophobicContact CB-CD2 3.89Å; L548-L572 HydrophobicContact CD1-CD2 4.02Å; L553-L572 HydrophobicContact CD1-CD2 4.01Å; I556-L572 HydrophobicContact CD1-CD1 4.33Å; I556-L572 HydrophobicContact CD1-CD2 3.74Å; I556-L572 HydrophobicContact CG1-CD1 4.32Å; L570-L572 HydrophobicContact CD1-CD1 4.42Å; L570-L572 HydrophobicContact CD1-CG 4.25Å; L570-L572 HydrophobicContact CD2-CD1 3.93Å; L570-L572 HydrophobicContact CG-CD1 4.01Å; L570-L572 HydrophobicContact CG-CG 4.16Å; L572-N575 PolarHBondContact O-ND2 2.93Å; L572-L577 HydrophobicContact CB-CD1 4.15Å; L572-L577 HydrophobicContact CD1-CD1 4.17Å; L572-D606 CarbonylContact C-O 3.59Å; L572-D606 WeakPolarHBondContact CA-O 3.43Å; L572-D606 WeakPolarHBondContact CB-O 3.26Å; L572-D606 PolarHBondContact N-O 3.09Å; L572-L607 HydrophobicContact CB-CD2 4.2Å; L572-L607 HydrophobicContact CD1-CD2 3.96Å; L572-N610 PolarHBondContact O-ND2 3.34Å; L572-L622 HydrophobicContact CD1-CD2 4.2Å | ||
| 573 | T | 95.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 139 | 179.4 | -42.7 | 0 | 0 | 0 | 0 | 113.5 | S549 G550 V571 N575 D606 S608 Y609 | S549-T573 CarbonylContact C-O 3.49Å; S549-T573 WeakPolarHBondContact CA-O 3.27Å; S549-T573 WeakPolarHBondContact CB-O 3.47Å; G550-T573 PolarHBondContact N-O 3.04Å; V571-T573 WeakPolarHBondContact CG1-OG1 3.41Å; T573-N575 VanDerWaalsContact C-N 3.31Å; T573-N575 PolarHBondContact O-N 3.2Å; T573-D606 PolarHBondContact OG1-OD1 2.97Å; T573-S608 CarbonylContact C-O 3.25Å; T573-S608 VanDerWaalsContact CA-O 3.3Å; T573-S608 WeakPolarHBondContact CA-O 3.38Å; T573-S608 VanDerWaalsContact CG2-OG 3.27Å; T573-S608 WeakPolarHBondContact CG2-OG 3Å; T573-Y609 HydrophobicContact CG2-CD2 4.3Å |
| 574 | Q | 97.2 | Very high | 89.5 | Confident | 97 Ų | 97 | 38.7 Ų | 38.7 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 39.2 | 175.4 | -64.8 | 172.2 | 8.2 | 0 | 0 | 114.2 | G550 S608 Y609 | G550-Q574 VanDerWaalsContact CA-O 3.27Å; G550-Q574 WeakPolarHBondContact CA-O 3.24Å; G550-Q574 PolarHBondContact N-O 3.19Å; Q574-S608 PolarHBondContact N-O 2.83Å; Q574-Y609 WeakPolarHBondContact CA-O 3.13Å; Q574-Y609 HydrophobicContact CG-CD2 4.49Å; Q574-Y609 HydrophobicContact CG-CG 4.35Å |
| 575 | N | 96.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -96.8 | -164.1 | 165.3 | -82.1 | -80.8 | 0 | 0 | 0 | 110 | L548 N551 L553 L572 T573 L577 N610 | L548-N575 PolarHBondContact O-ND2 3.29Å; N551-N575 VanDerWaalsContact CA-OD1 3.32Å; N551-N575 WeakPolarHBondContact CA-OD1 3.46Å; N551-N575 VanDerWaalsContact CB-OD1 3.23Å; N551-N575 WeakPolarHBondContact CB-OD1 3.35Å; N551-N575 PolarHBondContact N-OD1 3.23Å; N551-N575 PolarHBondContact O-OD1 2.84Å; L553-N575 HydrophobicContact CB-CB 4.17Å; L553-N575 WeakPolarHBondContact CB-OD1 3.43Å; L553-N575 VanDerWaalsContact CG-OD1 3.25Å; L553-N575 WeakPolarHBondContact CG-OD1 3.31Å; L553-N575 PolarHBondContact N-OD1 3.2Å; L572-N575 PolarHBondContact O-ND2 2.93Å; T573-N575 VanDerWaalsContact C-N 3.31Å; T573-N575 PolarHBondContact O-N 3.2Å; N575-L577 HydrophobicContact CB-CG 4.26Å; N575-N610 VanDerWaalsContact CA-OD1 3.29Å; N575-N610 WeakPolarHBondContact CA-OD1 3.4Å; N575-N610 WeakPolarHBondContact CB-OD1 3.47Å; N575-N610 PolarHBondContact N-OD1 2.8Å; N575-N610 PolarHBondContact O-OD1 2.84Å |
| 576 | Q | 95.8 | Very high | 86.6 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | trans | -117 | 26.2 | -177.6 | -60.1 | -176.1 | 12.3 | 0 | 0 | 111.5 | L553 E554 L578 N610 L611 | L553-Q576 CarbonylContact O-C 3.57Å; L553-Q576 WeakPolarHBondContact O-CA 3.31Å; L553-Q576 PolarHBondContact O-N 3.12Å; E554-Q576 HydrophobicContact CG-CB 4.36Å; Q576-L578 PolarHBondContact O-N 3.48Å; Q576-N610 PolarHBondContact N-OD1 3.36Å; Q576-L611 HydrophobicContact CB-CD1 4.34Å | ||
| 577 | L | 95.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -61.2 | 112.8 | -171.5 | -62.1 | 171.8 | 0 | 0 | 0 | 110.8 | L553 E554 I556 L572 N575 L607 N610 L611 L612 L622 | L553-L577 HydrophobicContact CB-CD2 4.29Å; L553-L577 WeakPolarHBondContact O-CD2 3.47Å; L553-L577 PolarHBondContact O-N 3.09Å; L553-L577 VanDerWaalsContact O-N 3.16Å; E554-L577 WeakPolarHBondContact O-CA 3.24Å; I556-L577 HydrophobicContact CD1-CD2 4.07Å; I556-L577 HydrophobicContact CG1-CD2 4.16Å; L572-L577 HydrophobicContact CB-CD1 4.15Å; L572-L577 HydrophobicContact CD1-CD1 4.17Å; N575-L577 HydrophobicContact CB-CG 4.26Å; L577-L607 HydrophobicContact CD1-CD2 4.16Å; L577-N610 HydrophobicContact CB-CB 4.13Å; L577-N610 WeakPolarHBondContact CB-OD1 3.34Å; L577-N610 VanDerWaalsContact CG-OD1 3.29Å; L577-N610 WeakPolarHBondContact CG-OD1 3.28Å; L577-N610 PolarHBondContact N-OD1 3.07Å; L577-N610 VanDerWaalsContact N-OD1 3.07Å; L577-L611 CarbonylContact O-C 3.43Å; L577-L611 WeakPolarHBondContact O-CA 3.27Å; L577-L611 PolarHBondContact O-N 3.04Å; L577-L612 HydrophobicContact CB-CD2 4.08Å; L577-L612 WeakPolarHBondContact O-CD2 3.48Å; L577-L612 PolarHBondContact O-N 3.1Å; L577-L622 HydrophobicContact CD1-CD2 4.46Å | ||
| 578 | L | 92.2 | Very high | 83.2 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -89.9 | -15.9 | -176.6 | -74.5 | 169.3 | 0 | 0 | 0 | 113.6 | E554 Q576 L611 R798 | E554-L578 PolarHBondContact O-N 3.04Å; Q576-L578 PolarHBondContact O-N 3.48Å; L578-L611 HydrophobicContact CD2-CB 3.8Å; L578-L611 HydrophobicContact CD2-CD1 4.01Å; L578-R798 PolarHBondContact O-NH1 3.27Å; L578-R798 VanDerWaalsContact O-NH1 3.15Å; L578-R798 PolarHBondContact O-NH2 2.88Å |
| 579 | T | 90.1 | Very high | 81.5 | Confident | 37 Ų | 37 | 56.8 Ų | 56.8 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | trans | -156.5 | 159.5 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | Q581 L612 | T579-Q581 HydrophobicContact CG2-CB 4.11Å; T579-Q581 WeakPolarHBondContact OG1-CB 3.43Å; T579-Q581 PolarHBondContact OG1-N 3.32Å; T579-Q581 VanDerWaalsContact OG1-N 3.16Å; T579-L612 VanDerWaalsContact C-CD2 3.44Å | ||
| 580 | I | 89.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82.2 | -20.2 | 168.5 | 58.7 | 169 | 0 | 0 | 0 | 112.5 | L612 M615 E616 A621 L622 F628 | I580-L612 HydrophobicContact CG2-CD1 3.99Å; I580-L612 HydrophobicContact CG2-CD2 3.91Å; I580-M615 HydrophobicContact CD1-CB 4.41Å; I580-E616 HydrophobicContact CD1-CB 4.4Å; I580-A621 HydrophobicContact CB-CB 4.29Å; I580-A621 HydrophobicContact CD1-CB 4.45Å; I580-A621 WeakPolarHBondContact O-CA 3.37Å; I580-A621 WeakPolarHBondContact O-CB 3.24Å; I580-L622 HydrophobicContact CB-CD2 4.46Å; I580-L622 HydrophobicContact CG2-CD2 4.43Å; I580-L622 PolarHBondContact O-N 2.76Å; I580-L622 VanDerWaalsContact O-N 3.07Å; I580-F628 HydrophobicContact CD1-CB 3.76Å; I580-F628 HydrophobicContact CD1-CD1 3.51Å; I580-F628 HydrophobicContact CD1-CD2 3.7Å; I580-F628 HydrophobicContact CD1-CE1 3.97Å; I580-F628 HydrophobicContact CD1-CE2 4.13Å; I580-F628 HydrophobicContact CD1-CG 3.37Å; I580-F628 HydrophobicContact CD1-CZ 4.26Å; I580-F628 HydrophobicContact CG2-CE2 4.4Å |
| 581 | Q | 82.3 | Confident | 77.9 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 10% | 0.098 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 136 | -172.4 | -171.8 | -174.6 | 35.9 | 0 | 0 | 112.1 | T579 Y583 A619 Y620 | T579-Q581 HydrophobicContact CG2-CB 4.11Å; T579-Q581 WeakPolarHBondContact OG1-CB 3.43Å; T579-Q581 PolarHBondContact OG1-N 3.32Å; T579-Q581 VanDerWaalsContact OG1-N 3.16Å; Q581-Y583 PolarHBondContact O-N 2.97Å; Q581-A619 HydrophobicContact CB-CB 4.12Å; Q581-A619 HydrophobicContact CG-CB 4.03Å; Q581-Y620 WeakPolarHBondContact CA-O 3.33Å |
| 582 | E | 73.4 | Confident | 75.9 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 10% | 0.103 | 38% | 0.382 | C | S | . | . | trans | -59.8 | 127.5 | 168.3 | -73 | -174.7 | 156.2 | 0 | 0 | 110.4 | P558 G559 K584 Y620 G623 F624 | P558-E582 VanDerWaalsContact CA-OE1 3.26Å; P558-E582 WeakPolarHBondContact CA-OE1 3.41Å; P558-E582 HydrophobicContact CB-CB 4.23Å; P558-E582 HydrophobicContact CB-CG 4.15Å; G559-E582 PolarHBondContact N-OE1 3Å; E582-K584 PolarHBondContact O-N 3.27Å; E582-K584 VanDerWaalsContact O-N 3.09Å; E582-Y620 PolarHBondContact N-O 3.08Å; E582-Y620 WeakPolarHBondContact OE2-CB 3.45Å; E582-G623 VanDerWaalsContact OE1-C 3.25Å; E582-G623 WeakPolarHBondContact OE1-CA 3.48Å; E582-F624 PolarHBondContact OE1-N 2.85Å | ||
| 583 | Y | 68.2 | Low | 73.9 | Confident | 117 Ų | 117 | 85.1 Ų | 85.1 | 46% | 0.459 | 41% | 0.405 | S | S | . | . | trans | -65.2 | 110.4 | 174.5 | -176.6 | -93.3 | 0 | 0 | 0 | 109.5 | Q581 I585 L791 | Q581-Y583 PolarHBondContact O-N 2.97Å; Y583-I585 HydrophobicContact CD1-CG1 4Å; Y583-I585 HydrophobicContact CE1-CG1 4.31Å; Y583-I585 PolarHBondContact O-N 3.02Å; Y583-L791 HydrophobicContact CD2-CD2 3.69Å; Y583-L791 HydrophobicContact CE2-CD2 3.7Å | ||
| 584 | K | 64.2 | Low | 72 | Confident | 105 Ų | 105 | 91.3 Ų | 91.3 | 46% | 0.457 | 44% | 0.436 | S | S | . | . | trans | -64 | 102.1 | 174.1 | -76.7 | -174.7 | 177.5 | 178 | 0 | 109.5 | E582 E586 S788 | E582-K584 PolarHBondContact O-N 3.27Å; E582-K584 VanDerWaalsContact O-N 3.09Å; K584-E586 PolarHBondContact O-N 2.79Å; K584-S788 PolarHBondContact NZ-OG 3.08Å | ||
| 585 | I | 60.9 | Low | 70 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -71.3 | 118.3 | 161 | -61.7 | 175.3 | 0 | 0 | 0 | 106.2 | Y512 Y583 N587 | Y512-I585 HydrophobicContact CE2-CD1 3.74Å; Y583-I585 HydrophobicContact CD1-CG1 4Å; Y583-I585 HydrophobicContact CE1-CG1 4.31Å; Y583-I585 PolarHBondContact O-N 3.02Å; I585-N587 PolarHBondContact O-N 3.05Å | ||
| 586 | E | 57.2 | Low | 68.2 | Low | 171 Ų | 171 | 98.9 Ų | 98.9 | 80% | 0.799 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 9 | -160.5 | -59 | -179.6 | 125.7 | 0 | 0 | 115.9 | K584 | K584-E586 PolarHBondContact O-N 2.79Š|
| 587 | N | 56.7 | Low | 66.6 | Low | 144 Ų | 144 | 99.6 Ų | 99.6 | 77% | 0.77 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -2.6 | -169.9 | -69.7 | -50.8 | 0 | 0 | 0 | 115.3 | I585 | I585-N587 PolarHBondContact O-N 3.05Š|
| 588 | D | 55.8 | Low | 65.1 | Low | 94 Ų | 94 | 107.4 Ų | 107.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | trans | -82 | 121 | 179.2 | -87.3 | -28 | 0 | 0 | 0 | 112.1 | Y512 | Y512-D588 VanDerWaalsContact CE1-OD2 3.31Å; Y512-D588 WeakPolarHBondContact CE1-OD2 3.17Å; Y512-D588 PolarHBondContact OH-OD2 3.02Å | ||
| 589 | I | 58.4 | Low | 63.5 | Low | 152 Ų | 152 | 109 Ų | 109 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | trans | -58.8 | 145.4 | 178.1 | -62.4 | 167.7 | 0 | 0 | 0 | 110.9 | E591 | I589-E591 PolarHBondContact O-N 3.46Š| ||
| 590 | E | 55.6 | Low | 62.3 | Low | 192 Ų | 192 | 110.6 Ų | 110.6 | 90% | 0.897 | 53% | 0.532 | S | S | * | . | trans | -67.6 | 64.9 | 174.2 | -62.1 | -166.3 | 132.8 | 0 | 0 | 113 | E592 | E590-E592 PolarHBondContact O-N 3.49Å; E590-E592 VanDerWaalsContact O-N 3.17Å | ||
| 591 | E | 56.8 | Low | 61.6 | Low | 130 Ų | 130 | 113.4 Ų | 113.4 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | trans | -64.4 | 117 | 170 | -73 | -156.9 | 141.6 | 0 | 0 | 110.3 | I589 Y593 | I589-E591 PolarHBondContact O-N 3.46Å; E591-Y593 HydrophobicContact CB-CD2 3.81Å; E591-Y593 HydrophobicContact CB-CE2 3.4Å; E591-Y593 VanDerWaalsContact CB-CE2 3.4Å; E591-Y593 HydrophobicContact CG-CE2 4.28Å; E591-Y593 WeakPolarHBondContact O-CD2 3.18Å; E591-Y593 PolarHBondContact O-N 3Å; E591-Y593 WeakPolarHBondContact OE2-CE2 3.21Å; E591-Y593 VanDerWaalsContact OE2-CZ 3.24Å; E591-Y593 PolarHBondContact OE2-OH 3.28Å | ||
| 592 | E | 55 | Low | 61.9 | Low | 160 Ų | 160 | 112.7 Ų | 112.7 | 75% | 0.748 | 54% | 0.541 | S | S | * | . | trans | -73.8 | 62.8 | -171.8 | -162 | -169.7 | 167.4 | 0 | 0 | 112.9 | E590 I594 | E590-E592 PolarHBondContact O-N 3.49Å; E590-E592 VanDerWaalsContact O-N 3.17Å; E592-I594 VanDerWaalsContact C-N 3.28Å; E592-I594 HydrophobicContact CG-CD1 4.45Å; E592-I594 HydrophobicContact CG-CG1 4.31Å; E592-I594 PolarHBondContact O-N 3.08Å | ||
| 593 | Y | 54.1 | Low | 62.7 | Low | 123 Ų | 123 | 113.8 Ų | 113.8 | 48% | 0.482 | 55% | 0.552 | S | S | . | * | trans | -71.4 | 82.2 | 174.8 | -70.2 | -78.4 | 0 | 0 | 0 | 111.7 | E591 S595 | E591-Y593 HydrophobicContact CB-CD2 3.81Å; E591-Y593 HydrophobicContact CB-CE2 3.4Å; E591-Y593 VanDerWaalsContact CB-CE2 3.4Å; E591-Y593 HydrophobicContact CG-CE2 4.28Å; E591-Y593 WeakPolarHBondContact O-CD2 3.18Å; E591-Y593 PolarHBondContact O-N 3Å; E591-Y593 WeakPolarHBondContact OE2-CE2 3.21Å; E591-Y593 VanDerWaalsContact OE2-CZ 3.24Å; E591-Y593 PolarHBondContact OE2-OH 3.28Å; Y593-S595 PolarHBondContact O-N 3.18Å | ||
| 594 | I | 55.4 | Low | 63.9 | Low | 132 Ų | 132 | 109.3 Ų | 109.3 | 68% | 0.677 | 53% | 0.534 | S | S | * | . | trans | -82.6 | 60.1 | 153 | -48.2 | 177.3 | 0 | 0 | 0 | 107.5 | E592 | E592-I594 VanDerWaalsContact C-N 3.28Å; E592-I594 HydrophobicContact CG-CD1 4.45Å; E592-I594 HydrophobicContact CG-CG1 4.31Å; E592-I594 PolarHBondContact O-N 3.08Å | ||
| 595 | S | 56 | Low | 65.3 | Low | 60 Ų | 60 | 104.3 Ų | 104.3 | 42% | 0.42 | 51% | 0.512 | S | S | . | . | trans | -71.7 | 135.6 | 175.5 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | Y593 D597 | Y593-S595 PolarHBondContact O-N 3.18Å; S595-D597 WeakPolarHBondContact CB-OD2 3.5Å; S595-D597 PolarHBondContact O-N 3.33Å; S595-D597 PolarHBondContact OG-OD2 3.09Å | ||
| 596 | K | 58.9 | Low | 67 | Low | 204 Ų | 204 | 101.8 Ų | 101.8 | 89% | 0.887 | 50% | 0.499 | S | S | * | . | trans | -78.8 | 29.9 | 174.6 | -69.9 | -174.4 | 174 | -178.2 | 0 | 112 | E598 | K596-E598 PolarHBondContact O-N 3.24Š| ||
| 597 | D | 61.7 | Low | 68.8 | Low | 90 Ų | 90 | 93.6 Ų | 93.6 | 48% | 0.481 | 46% | 0.461 | S | S | . | . | trans | -67.3 | 117.1 | -176.7 | -61.4 | -35.1 | 0 | 0 | 0 | 109.1 | S595 K626 | S595-D597 WeakPolarHBondContact CB-OD2 3.5Å; S595-D597 PolarHBondContact O-N 3.33Å; S595-D597 PolarHBondContact OG-OD2 3.09Å; D597-K626 PolarHBondContact O-NZ 2.83Å | ||
| 598 | E | 64.8 | Low | 70.7 | Confident | 165 Ų | 165 | 86.9 Ų | 86.9 | 77% | 0.771 | 43% | 0.425 | S | S | * | . | trans | -48.8 | 144.7 | -173 | -63.3 | -176.6 | 135.7 | 0 | 0 | 111.5 | K596 N600 K626 | K596-E598 PolarHBondContact O-N 3.24Å; E598-N600 PolarHBondContact O-N 3.32Å; E598-K626 PolarHBondContact O-NZ 3.03Å | ||
| 599 | M | 57.8 | Low | 72.7 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 53% | 0.532 | 42% | 0.418 | S | S | . | . | trans | -77.7 | 74.4 | -173.7 | -72 | -60.8 | -159.9 | 0 | 0 | 110.9 | H601 K626 | M599-H601 VanDerWaalsContact C-N 3.28Å; M599-H601 PolarHBondContact O-CD2 2.92Å; M599-H601 PolarHBondContact O-N 2.63Å; M599-K626 HydrophobicContact SD-CD 4.01Å; M599-K626 PolarHBondContact SD-NZ 3.25Å; M599-K626 VanDerWaalsContact SD-NZ 3.38Å | ||
| 600 | N | 65.1 | Low | 74.5 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | trans | -63.1 | 90.1 | 163.1 | -66 | 7.9 | 0 | 0 | 0 | 108.9 | N565 E598 | N565-N600 VanDerWaalsContact C-ND2 3.33Å; N565-N600 PolarHBondContact O-ND2 2.86Å; E598-N600 PolarHBondContact O-N 3.32Å | ||
| 601 | H | 74.4 | Confident | 76.4 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 30% | 0.296 | 36% | 0.359 | S | S | . | . | trans | -65.4 | 144.4 | 157.7 | -72.3 | -95.7 | 0 | 0 | 0 | 108.6 | M599 S630 I632 | M599-H601 VanDerWaalsContact C-N 3.28Å; M599-H601 PolarHBondContact O-CD2 2.92Å; M599-H601 PolarHBondContact O-N 2.63Å; H601-S630 PolarHBondContact ND1-O 2.82Å; H601-I632 PolarHBondContact ND1-O 3.19Å; H601-I632 VanDerWaalsContact ND1-O 3.11Å | ||
| 602 | L | 89.5 | Confident | 78.3 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | trans | -68.6 | 142.4 | 167.5 | -64.5 | 172.3 | 0 | 0 | 0 | 108.8 | N568 L570 L605 F624 I631 P633 | N568-L602 CarbonylContact O-C 3.52Å; N568-L602 WeakPolarHBondContact O-CA 3.46Å; N568-L602 WeakPolarHBondContact O-CB 3.29Å; L570-L602 HydrophobicContact CB-CD1 4.07Å; L570-L602 HydrophobicContact CB-CD2 4.45Å; L570-L602 HydrophobicContact CD2-CD1 4.46Å; L602-L605 HydrophobicContact CD1-CB 4.02Å; L602-L605 HydrophobicContact CD1-CD1 4.01Å; L602-L605 HydrophobicContact CD1-CD2 4.24Å; L602-L605 HydrophobicContact CD1-CG 4.31Å; L602-F624 HydrophobicContact CD1-CE2 4.3Å; L602-F624 HydrophobicContact CD1-CZ 4.24Å; L602-F624 HydrophobicContact CD2-CZ 4.18Å; L602-I631 PolarHBondContact N-O 3.38Å; L602-P633 HydrophobicContact CB-CG 4.33Å; L602-P633 WeakPolarHBondContact O-CA 3.31Å; L602-P633 VanDerWaalsContact O-CB 3.3Å; L602-P633 WeakPolarHBondContact O-CB 3.44Å; L602-P633 VanDerWaalsContact O-CG 3.3Å; L602-P633 WeakPolarHBondContact O-CG 3.46Å | ||
| 603 | S | 89.9 | Confident | 80.2 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.2 | -27 | 165.2 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | N568 G671 | N568-S603 PolarHBondContact O-N 2.79Å; N568-S603 PolarHBondContact O-OG 3.13Å; S603-G671 PolarHBondContact O-N 2.83Å |
| 604 | R | 93 | Very high | 82 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.4 | 176.6 | -177 | -177.2 | -171.9 | 146.7 | -12.5 | 111.1 | N568 S569 L570 L669 V1364 | N568-R604 PolarHBondContact O-N 2.91Å; S569-R604 WeakPolarHBondContact CA-O 3.12Å; L570-R604 PolarHBondContact N-O 3.3Å; R604-L669 VanDerWaalsContact CD-O 3.3Å; R604-L669 WeakPolarHBondContact CD-O 3.47Å; R604-L669 PolarHBondContact NH1-O 3.41Å; R604-V1364 PolarHBondContact NH2-O 3.47Å |
| 605 | L | 95 | Very high | 83.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 108.4 | 171.4 | 177.2 | 54.9 | 0 | 0 | 0 | 109.9 | L570 L602 L607 L622 F628 P633 G671 L672 N673 | L570-L605 HydrophobicContact CB-CD1 4.35Å; L570-L605 HydrophobicContact CD2-CD1 4.28Å; L570-L605 HydrophobicContact CG-CD1 4.4Å; L570-L605 WeakPolarHBondContact O-CA 3.39Å; L602-L605 HydrophobicContact CD1-CB 4.02Å; L602-L605 HydrophobicContact CD1-CD1 4.01Å; L602-L605 HydrophobicContact CD1-CD2 4.24Å; L602-L605 HydrophobicContact CD1-CG 4.31Å; L605-L607 HydrophobicContact CD1-CD2 4.15Å; L605-L607 HydrophobicContact CD1-CG 4.07Å; L605-L607 HydrophobicContact CD2-CD1 4.27Å; L605-L607 HydrophobicContact CG-CD1 4.28Å; L605-L607 HydrophobicContact CG-CG 4.14Å; L605-L622 HydrophobicContact CD1-CD1 3.82Å; L605-L622 HydrophobicContact CD2-CD1 4.01Å; L605-F628 HydrophobicContact CD2-CE2 4.16Å; L605-P633 HydrophobicContact CB-CG 4.06Å; L605-G671 PolarHBondContact N-O 2.66Å; L605-L672 HydrophobicContact CB-CD1 4.18Å; L605-L672 HydrophobicContact CD2-CD1 4.01Å; L605-L672 HydrophobicContact CG-CD1 3.97Å; L605-L672 WeakPolarHBondContact O-CA 3.42Å; L605-N673 PolarHBondContact O-N 3.06Å |
| 606 | D | 95.4 | Very high | 85.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 113.4 | 177 | -165.1 | -51.5 | 0 | 0 | 0 | 111 | L570 V571 L572 T573 S608 N673 | L570-D606 PolarHBondContact O-N 3.1Å; V571-D606 HydrophobicContact CB-CB 4.46Å; V571-D606 HydrophobicContact CG1-CB 3.97Å; L572-D606 CarbonylContact C-O 3.59Å; L572-D606 WeakPolarHBondContact CA-O 3.43Å; L572-D606 WeakPolarHBondContact CB-O 3.26Å; L572-D606 PolarHBondContact N-O 3.09Å; T573-D606 PolarHBondContact OG1-OD1 2.97Å; D606-S608 WeakPolarHBondContact OD1-CB 3.23Å; D606-S608 PolarHBondContact OD1-N 3.46Å; D606-S608 PolarHBondContact OD1-OG 3.18Å; D606-N673 HydrophobicContact CB-CB 4.38Å; D606-N673 PolarHBondContact OD2-ND2 3.26Å |
| 607 | L | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -113.7 | 12.4 | 176.9 | -63.5 | 171.8 | 0 | 0 | 0 | 111.6 | L572 L577 L605 N610 L612 L622 F628 N673 I674 N677 | L572-L607 HydrophobicContact CB-CD2 4.2Å; L572-L607 HydrophobicContact CD1-CD2 3.96Å; L577-L607 HydrophobicContact CD1-CD2 4.16Å; L605-L607 HydrophobicContact CD1-CD2 4.15Å; L605-L607 HydrophobicContact CD1-CG 4.07Å; L605-L607 HydrophobicContact CD2-CD1 4.27Å; L605-L607 HydrophobicContact CG-CD1 4.28Å; L605-L607 HydrophobicContact CG-CG 4.14Å; L607-N610 PolarHBondContact O-ND2 2.83Å; L607-L612 HydrophobicContact CB-CD1 4.18Å; L607-L612 HydrophobicContact CD1-CD1 4.22Å; L607-L622 HydrophobicContact CD1-CD1 4.3Å; L607-L622 HydrophobicContact CD2-CD1 3.91Å; L607-L622 HydrophobicContact CD2-CD2 3.97Å; L607-F628 HydrophobicContact CD1-CE2 4.29Å; L607-F628 HydrophobicContact CD1-CZ 4.3Å; L607-N673 PolarHBondContact N-O 3.48Å; L607-I674 HydrophobicContact CB-CG2 4.35Å; L607-I674 HydrophobicContact CD1-CG2 4.46Å; L607-N677 PolarHBondContact O-ND2 2.03Å | ||
| 608 | S | 95.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 151.6 | -170.8 | 63 | 0 | 0 | 0 | 0 | 113.4 | T573 Q574 D606 N610 N673 I675 | T573-S608 CarbonylContact C-O 3.25Å; T573-S608 VanDerWaalsContact CA-O 3.3Å; T573-S608 WeakPolarHBondContact CA-O 3.38Å; T573-S608 VanDerWaalsContact CG2-OG 3.27Å; T573-S608 WeakPolarHBondContact CG2-OG 3Å; Q574-S608 PolarHBondContact N-O 2.83Å; D606-S608 WeakPolarHBondContact OD1-CB 3.23Å; D606-S608 PolarHBondContact OD1-N 3.46Å; D606-S608 PolarHBondContact OD1-OG 3.18Å; S608-N610 VanDerWaalsContact C-N 3.29Å; S608-N610 PolarHBondContact O-N 3.5Å; S608-N610 PolarHBondContact O-ND2 3.47Å; S608-N673 WeakPolarHBondContact CB-ND2 3.27Å; S608-N673 PolarHBondContact N-O 3.16Å; S608-N673 PolarHBondContact OG-ND2 2.73Å; S608-I675 CarbonylContact C-O 3.25Å; S608-I675 WeakPolarHBondContact CA-O 3.31Å; S608-I675 WeakPolarHBondContact CB-O 3.48Å |
| 609 | Y | 97 | Very high | 89.1 | Confident | 89 Ų | 89 | 28.6 Ų | 28.6 | 35% | 0.349 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 39.6 | -180 | -54.2 | -79.7 | 0 | 0 | 0 | 114.1 | T573 Q574 I675 I1370 | T573-Y609 HydrophobicContact CG2-CD2 4.3Å; Q574-Y609 WeakPolarHBondContact CA-O 3.13Å; Q574-Y609 HydrophobicContact CG-CD2 4.49Å; Q574-Y609 HydrophobicContact CG-CG 4.35Å; Y609-I675 HydrophobicContact CE2-CD1 3.94Å; Y609-I675 HydrophobicContact CE2-CG1 3.97Å; Y609-I675 PolarHBondContact N-O 2.85Å; Y609-I675 WeakPolarHBondContact OH-CD1 3.49Å; Y609-I1370 HydrophobicContact CD2-CD1 4.22Å; Y609-I1370 HydrophobicContact CE2-CD1 3.71Å |
| 610 | N | 97.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -101.3 | -166.5 | 169.7 | -83.4 | -86.3 | 0 | 0 | 0 | 110.6 | L572 N575 Q576 L577 L607 S608 L612 N677 | L572-N610 PolarHBondContact O-ND2 3.34Å; N575-N610 VanDerWaalsContact CA-OD1 3.29Å; N575-N610 WeakPolarHBondContact CA-OD1 3.4Å; N575-N610 WeakPolarHBondContact CB-OD1 3.47Å; N575-N610 PolarHBondContact N-OD1 2.8Å; N575-N610 PolarHBondContact O-OD1 2.84Å; Q576-N610 PolarHBondContact N-OD1 3.36Å; L577-N610 HydrophobicContact CB-CB 4.13Å; L577-N610 WeakPolarHBondContact CB-OD1 3.34Å; L577-N610 VanDerWaalsContact CG-OD1 3.29Å; L577-N610 WeakPolarHBondContact CG-OD1 3.28Å; L577-N610 PolarHBondContact N-OD1 3.07Å; L577-N610 VanDerWaalsContact N-OD1 3.07Å; L607-N610 PolarHBondContact O-ND2 2.83Å; S608-N610 VanDerWaalsContact C-N 3.29Å; S608-N610 PolarHBondContact O-N 3.5Å; S608-N610 PolarHBondContact O-ND2 3.47Å; N610-L612 HydrophobicContact CB-CG 4.32Å; N610-N677 VanDerWaalsContact CA-OD1 3.3Å; N610-N677 WeakPolarHBondContact CA-OD1 3.48Å; N610-N677 WeakPolarHBondContact CB-OD1 3.27Å; N610-N677 PolarHBondContact N-OD1 2.86Å; N610-N677 PolarHBondContact O-OD1 3.01Å |
| 611 | L | 96.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 24.8 Ų | 24.8 | 42% | 0.419 | 12% | 0.121 | S | C | . | . | trans | -112.7 | 28.7 | -177.9 | -58.6 | 177.3 | 0 | 0 | 0 | 112.3 | Q576 L577 L578 I613 N677 | Q576-L611 HydrophobicContact CB-CD1 4.34Å; L577-L611 CarbonylContact O-C 3.43Å; L577-L611 WeakPolarHBondContact O-CA 3.27Å; L577-L611 PolarHBondContact O-N 3.04Å; L578-L611 HydrophobicContact CD2-CB 3.8Å; L578-L611 HydrophobicContact CD2-CD1 4.01Å; L611-I613 PolarHBondContact O-N 2.69Å; L611-N677 PolarHBondContact N-OD1 3.42Å | ||
| 612 | L | 95.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | trans | -71.6 | 125.6 | -178.3 | -59 | 174.3 | 0 | 0 | 0 | 110.8 | L577 T579 I580 L607 N610 N677 P678 F679 | L577-L612 HydrophobicContact CB-CD2 4.08Å; L577-L612 WeakPolarHBondContact O-CD2 3.48Å; L577-L612 PolarHBondContact O-N 3.1Å; T579-L612 VanDerWaalsContact C-CD2 3.44Å; I580-L612 HydrophobicContact CG2-CD1 3.99Å; I580-L612 HydrophobicContact CG2-CD2 3.91Å; L607-L612 HydrophobicContact CB-CD1 4.18Å; L607-L612 HydrophobicContact CD1-CD1 4.22Å; N610-L612 HydrophobicContact CB-CG 4.32Å; L612-N677 HydrophobicContact CB-CB 4.22Å; L612-N677 VanDerWaalsContact CB-OD1 3.3Å; L612-N677 WeakPolarHBondContact CB-OD1 3.39Å; L612-N677 WeakPolarHBondContact CG-OD1 3.45Å; L612-N677 PolarHBondContact N-OD1 3.44Å; L612-P678 CarbonylContact O-C 3.57Å; L612-P678 WeakPolarHBondContact O-CD 3.04Å; L612-F679 HydrophobicContact CB-CD1 4.49Å; L612-F679 HydrophobicContact CB-CE1 3.72Å; L612-F679 HydrophobicContact CB-CZ 4.04Å; L612-F679 HydrophobicContact CD1-CZ 4.44Å; L612-F679 PolarHBondContact O-N 3.08Å | ||
| 613 | I | 94.2 | Very high | 91.7 | Very high | 44 Ų | 44 | 21.7 Ų | 21.7 | 23% | 0.226 | 11% | 0.107 | C | C | . | . | trans | -98.4 | -18.2 | 177.8 | 64.2 | 168.3 | 0 | 0 | 0 | 113.5 | L611 P678 F679 V680 | L611-I613 PolarHBondContact O-N 2.69Å; I613-P678 HydrophobicContact CG2-CG 4.35Å; I613-F679 WeakPolarHBondContact O-CA 3.46Å; I613-V680 PolarHBondContact O-N 3.5Å | ||
| 614 | T | 93.6 | Very high | 91.5 | Very high | 14 Ų | 14 | 21 Ų | 21 | 9% | 0.086 | 10% | 0.098 | C | C | . | . | trans | -161.3 | 175.1 | 178.3 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | R684 | T614-R684 WeakPolarHBondContact OG1-CB 3.41Š| ||
| 615 | M | 90.8 | Very high | 91 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -128.4 | 105.8 | 176.9 | -70.5 | -178.6 | -77.8 | 0 | 0 | 110.9 | I580 R617 F628 I674 F679 L685 W687 F688 | I580-M615 HydrophobicContact CD1-CB 4.41Å; M615-R617 PolarHBondContact O-N 3.33Å; M615-R617 VanDerWaalsContact O-N 3.12Å; M615-F628 HydrophobicContact CB-CD1 4.48Å; M615-F628 HydrophobicContact CB-CE1 4.05Å; M615-F628 HydrophobicContact CG-CE1 4.14Å; M615-F628 HydrophobicContact SD-CE1 3.88Å; M615-F628 HydrophobicContact SD-CZ 4.17Å; M615-I674 HydrophobicContact CE-CD1 3.87Å; M615-I674 HydrophobicContact SD-CD1 4.49Å; M615-I674 HydrophobicContact SD-CG2 4.44Å; M615-F679 HydrophobicContact CE-CE1 4.13Å; M615-F679 HydrophobicContact CE-CZ 3.98Å; M615-F679 HydrophobicContact CG-CE1 3.78Å; M615-F679 HydrophobicContact CG-CZ 4.14Å; M615-F679 HydrophobicContact SD-CE1 4.29Å; M615-F679 HydrophobicContact SD-CZ 4.07Å; M615-L685 HydrophobicContact CB-CD2 4.06Å; M615-L685 HydrophobicContact CE-CD2 3.95Å; M615-L685 HydrophobicContact CG-CD2 4.47Å; M615-W687 HydrophobicContact CB-CZ2 4.02Å; M615-W687 WeakPolarHBondContact O-CZ2 3.38Å; M615-W687 PolarHBondContact O-NE1 2.93Å; M615-F688 HydrophobicContact CE-CB 4.41Å; M615-F688 HydrophobicContact CE-CD1 3.45Å; M615-F688 VanDerWaalsContact CE-CD1 3.45Å; M615-F688 HydrophobicContact CE-CD2 4.09Å; M615-F688 HydrophobicContact CE-CE1 3.63Å; M615-F688 HydrophobicContact CE-CE2 4.23Å; M615-F688 HydrophobicContact CE-CG 3.7Å; M615-F688 HydrophobicContact CE-CZ 4.02Å | ||
| 616 | E | 88.6 | Confident | 90.3 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | trans | -74.9 | 94.9 | 176.5 | -71 | -157.1 | -122.2 | 0 | 0 | 112.6 | I580 C618 A619 R763 | I580-E616 HydrophobicContact CD1-CB 4.4Å; E616-C618 PolarHBondContact O-N 3.07Å; E616-A619 HydrophobicContact CB-CB 3.52Å; E616-A619 HydrophobicContact CG-CB 4.48Å; E616-A619 PolarHBondContact O-N 2.87Å; E616-R763 IonicContact OE2-CZ 3.46Å; E616-R763 IonicContact OE2-NH1 2.9Å; E616-R763 IonicContact OE2-NH2 3.3Å; E616-R763 PolarHBondContact OE2-NH2 2.89Å | ||
| 617 | R | 89.9 | Confident | 90 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -36.9 | -48 | 178.7 | -169 | 176.4 | 162.2 | -119.7 | -11.4 | 115.4 | M615 F628 E629 W687 I766 K778 C780 | M615-R617 PolarHBondContact O-N 3.33Å; M615-R617 VanDerWaalsContact O-N 3.12Å; R617-F628 PolarHBondContact O-N 2.98Å; R617-E629 HydrophobicContact CG-CB 4.16Å; R617-E629 IonicContact CZ-OE1 2.67Å; R617-E629 IonicContact NE-OE1 3.96Å; R617-E629 PolarHBondContact NE-OE1 2.81Å; R617-E629 IonicContact NH2-OE1 3.88Å; R617-E629 PolarHBondContact NH2-OE1 3.41Å; R617-E629 IonicContact NH2-OE2 2.66Å; R617-E629 PolarHBondContact NH2-OE2 2.96Å; R617-E629 WeakPolarHBondContact O-CB 3.07Å; R617-E629 PolarHBondContact O-N 3.06Å; R617-W687 HydrophobicContact CB-CD2 3.69Å; R617-W687 HydrophobicContact CB-CE3 4.16Å; R617-W687 HydrophobicContact CB-CG 4.1Å; R617-W687 HydrophobicContact CB-CH2 4.31Å; R617-W687 HydrophobicContact CB-CZ2 3.85Å; R617-W687 HydrophobicContact CB-CZ3 4.45Å; R617-W687 HydrophobicContact CG-CD2 3.67Å; R617-W687 HydrophobicContact CG-CE3 3.66Å; R617-W687 HydrophobicContact CG-CG 4.23Å; R617-W687 HydrophobicContact CG-CH2 4.26Å; R617-W687 HydrophobicContact CG-CZ2 4.27Å; R617-W687 HydrophobicContact CG-CZ3 3.97Å; R617-I766 HydrophobicContact CB-CG2 4.35Å; R617-I766 PolarHBondContact NH1-O 3.4Å; R617-I766 VanDerWaalsContact NH1-O 3.1Å; R617-K778 PolarHBondContact NH1-O 3.27Å; R617-K778 PolarHBondContact NH2-O 3.32Å; R617-C780 PolarHBondContact O-SG 3.3Å |
| 618 | C | 89.2 | Confident | 89.7 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 16% | 0.162 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 13.2 | -173.3 | -56.8 | 0 | 0 | 0 | 0 | 114.5 | E616 I766 C780 | E616-C618 PolarHBondContact O-N 3.07Å; C618-I766 HydrophobicContact CB-CD1 4.1Å; C618-I766 HydrophobicContact CB-CG1 4.17Å; C618-I766 HydrophobicContact CB-CG2 4.21Å; C618-C780 WeakPolarHBondContact CA-SG 3.33Å; C618-C780 HydrophobicContact CB-CB 3.67Å; C618-C780 WeakPolarHBondContact CB-SG 3.49Å; C618-C780 VanDerWaalsContact SG-CA 3.6Å; C618-C780 WeakPolarHBondContact SG-CB 3.47Å; C618-C780 CovalentContact SG-SG 2.04Å; C618-C780 PolarHBondContact SG-SG 3.31Å |
| 619 | A | 85.9 | Confident | 89.3 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -70.2 | 138.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q581 E616 A621 P627 F628 | Q581-A619 HydrophobicContact CB-CB 4.12Å; Q581-A619 HydrophobicContact CG-CB 4.03Å; E616-A619 HydrophobicContact CB-CB 3.52Å; E616-A619 HydrophobicContact CG-CB 4.48Å; E616-A619 PolarHBondContact O-N 2.87Å; A619-A621 PolarHBondContact O-N 3.01Å; A619-P627 CarbonylContact O-C 3.58Å; A619-P627 VanDerWaalsContact O-CA 3.29Å; A619-P627 WeakPolarHBondContact O-CA 3.34Å; A619-F628 PolarHBondContact O-N 3.19Å |
| 620 | Y | 83.7 | Confident | 88.8 | Confident | 97 Ų | 97 | 27.1 Ų | 27.1 | 38% | 0.38 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 129.1 | 156.3 | -67.9 | -68.1 | 0 | 0 | 0 | 107.9 | Q581 E582 K625 | Q581-Y620 WeakPolarHBondContact CA-O 3.33Å; E582-Y620 PolarHBondContact N-O 3.08Å; E582-Y620 WeakPolarHBondContact OE2-CB 3.45Å; Y620-K625 VanDerWaalsContact CD1-C 3.49Å; Y620-K625 WeakPolarHBondContact CE1-O 3.46Å |
| 621 | A | 84.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148 | -158.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I580 A619 G623 F624 F628 I631 | I580-A621 HydrophobicContact CB-CB 4.29Å; I580-A621 HydrophobicContact CD1-CB 4.45Å; I580-A621 WeakPolarHBondContact O-CA 3.37Å; I580-A621 WeakPolarHBondContact O-CB 3.24Å; A619-A621 PolarHBondContact O-N 3.01Å; A621-G623 PolarHBondContact O-N 2.93Å; A621-G623 VanDerWaalsContact O-N 3.11Å; A621-F624 PolarHBondContact O-N 3.25Å; A621-F628 HydrophobicContact CB-CB 3.96Å; A621-F628 HydrophobicContact CB-CD2 4.04Å; A621-F628 HydrophobicContact CB-CG 4.44Å; A621-I631 HydrophobicContact CB-CD1 4.43Å |
| 622 | L | 87.4 | Confident | 88 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.021 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.2 | 173.1 | -52.2 | 177.9 | 0 | 0 | 0 | 114.4 | I556 F561 L572 L577 I580 L605 L607 F624 F628 I631 | I556-L622 HydrophobicContact CG1-CD2 4.4Å; I556-L622 WeakPolarHBondContact CG2-O 3.42Å; F561-L622 WeakPolarHBondContact CD2-O 3.39Å; F561-L622 WeakPolarHBondContact CE2-O 3.41Å; L572-L622 HydrophobicContact CD1-CD2 4.2Å; L577-L622 HydrophobicContact CD1-CD2 4.46Å; I580-L622 HydrophobicContact CB-CD2 4.46Å; I580-L622 HydrophobicContact CG2-CD2 4.43Å; I580-L622 PolarHBondContact O-N 2.76Å; I580-L622 VanDerWaalsContact O-N 3.07Å; L605-L622 HydrophobicContact CD1-CD1 3.82Å; L605-L622 HydrophobicContact CD2-CD1 4.01Å; L607-L622 HydrophobicContact CD1-CD1 4.3Å; L607-L622 HydrophobicContact CD2-CD1 3.91Å; L607-L622 HydrophobicContact CD2-CD2 3.97Å; L622-F624 VanDerWaalsContact C-N 3.26Å; L622-F624 HydrophobicContact CB-CD2 4.14Å; L622-F624 HydrophobicContact CB-CE2 4.38Å; L622-F624 PolarHBondContact O-N 3.1Å; L622-F628 HydrophobicContact CD1-CE2 4.31Å; L622-I631 HydrophobicContact CB-CD1 4.3Å; L622-I631 HydrophobicContact CD1-CD1 4.04Å; L622-I631 HydrophobicContact CG-CD1 4.4Å |
| 623 | G | 86.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 7.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P557 G559 L560 E582 A621 | P557-G623 VanDerWaalsContact O-CA 3.27Å; P557-G623 WeakPolarHBondContact O-CA 3.49Å; G559-G623 CarbonylContact C-O 3.56Å; G559-G623 WeakPolarHBondContact CA-O 3.32Å; G559-G623 PolarHBondContact N-O 3.06Å; G559-G623 VanDerWaalsContact N-O 3.11Å; L560-G623 PolarHBondContact N-O 3.05Å; E582-G623 VanDerWaalsContact OE1-C 3.25Å; E582-G623 WeakPolarHBondContact OE1-CA 3.48Å; A621-G623 PolarHBondContact O-N 2.93Å; A621-G623 VanDerWaalsContact O-N 3.11Å |
| 624 | F | 86.2 | Confident | 87 | Confident | 31 Ų | 31 | 24.9 Ų | 24.9 | 14% | 0.136 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130 | 168 | -60.9 | -89.6 | 0 | 0 | 0 | 110.1 | F561 L567 L570 E582 L602 A621 L622 K626 I631 | F561-F624 HydrophobicContact CB-CD1 4.4Å; F561-F624 HydrophobicContact CB-CE1 4.18Å; F561-F624 HydrophobicContact CD2-CD2 4.13Å; F561-F624 HydrophobicContact CD2-CE1 4.16Å; F561-F624 AromaticContact CD2-CE2 3.72Å; F561-F624 HydrophobicContact CD2-CE2 3.72Å; F561-F624 AromaticContact CD2-CZ 3.74Å; F561-F624 HydrophobicContact CD2-CZ 3.74Å; F561-F624 HydrophobicContact CE2-CE2 4.16Å; F561-F624 HydrophobicContact CE2-CZ 4.43Å; L567-F624 HydrophobicContact CD2-CE1 4.26Å; L567-F624 HydrophobicContact CD2-CZ 3.92Å; L570-F624 HydrophobicContact CD2-CE2 3.79Å; L570-F624 HydrophobicContact CD2-CZ 4.2Å; E582-F624 PolarHBondContact OE1-N 2.85Å; L602-F624 HydrophobicContact CD1-CE2 4.3Å; L602-F624 HydrophobicContact CD1-CZ 4.24Å; L602-F624 HydrophobicContact CD2-CZ 4.18Å; A621-F624 PolarHBondContact O-N 3.25Å; L622-F624 VanDerWaalsContact C-N 3.26Å; L622-F624 HydrophobicContact CB-CD2 4.14Å; L622-F624 HydrophobicContact CB-CE2 4.38Å; L622-F624 PolarHBondContact O-N 3.1Å; F624-K626 PolarHBondContact O-N 2.89Å; F624-I631 HydrophobicContact CB-CG2 4.14Å; F624-I631 HydrophobicContact CD1-CG2 4.46Å; F624-I631 HydrophobicContact CD2-CD1 3.66Å; F624-I631 HydrophobicContact CD2-CG2 4.26Å; F624-I631 HydrophobicContact CE2-CD1 4.14Å; F624-I631 HydrophobicContact CG-CD1 4.4Å; F624-I631 HydrophobicContact CG-CG2 4.06Å |
| 625 | K | 81.5 | Confident | 86.4 | Confident | 115 Ų | 115 | 31.5 Ų | 31.5 | 50% | 0.5 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 37.9 | 169.2 | -60.8 | -153.8 | 172.7 | -149 | 0 | 113 | Y620 | Y620-K625 VanDerWaalsContact CD1-C 3.49Å; Y620-K625 WeakPolarHBondContact CE1-O 3.46Å |
| 626 | K | 81.2 | Confident | 85.9 | Confident | 43 Ų | 43 | 32 Ų | 32 | 19% | 0.187 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.1 | 176.8 | -63.5 | -168.8 | 173.8 | -168.2 | 0 | 108.9 | D597 E598 M599 F624 S630 I631 | D597-K626 PolarHBondContact O-NZ 2.83Å; E598-K626 PolarHBondContact O-NZ 3.03Å; M599-K626 HydrophobicContact SD-CD 4.01Å; M599-K626 PolarHBondContact SD-NZ 3.25Å; M599-K626 VanDerWaalsContact SD-NZ 3.38Å; F624-K626 PolarHBondContact O-N 2.89Å; K626-S630 WeakPolarHBondContact CB-OG 3.49Å; K626-I631 HydrophobicContact CB-CG2 4.23Å |
| 627 | P | 87.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 34.4 Ų | 34.4 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 150.9 | 179.7 | 27 | -34.3 | 0 | 0 | 0 | 111.9 | A619 E629 S630 C780 | A619-P627 CarbonylContact O-C 3.58Å; A619-P627 VanDerWaalsContact O-CA 3.29Å; A619-P627 WeakPolarHBondContact O-CA 3.34Å; P627-E629 VanDerWaalsContact C-N 3.29Å; P627-E629 PolarHBondContact O-N 3.1Å; P627-S630 VanDerWaalsContact CD-OG 3.3Å; P627-S630 WeakPolarHBondContact CD-OG 3.45Å; P627-S630 WeakPolarHBondContact CG-OG 3.5Å; P627-S630 PolarHBondContact O-N 2.73Å; P627-S630 PolarHBondContact O-OG 2.98Å; P627-C780 HydrophobicContact CB-CB 3.81Å; P627-C780 HydrophobicContact CG-CB 3.82Å |
| 628 | F | 90.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -50.8 | -44 | -177.2 | -171.9 | -120.8 | 0 | 0 | 0 | 113.6 | I580 L605 L607 M615 R617 A619 A621 L622 S630 I631 I632 W687 | I580-F628 HydrophobicContact CD1-CB 3.76Å; I580-F628 HydrophobicContact CD1-CD1 3.51Å; I580-F628 HydrophobicContact CD1-CD2 3.7Å; I580-F628 HydrophobicContact CD1-CE1 3.97Å; I580-F628 HydrophobicContact CD1-CE2 4.13Å; I580-F628 HydrophobicContact CD1-CG 3.37Å; I580-F628 HydrophobicContact CD1-CZ 4.26Å; I580-F628 HydrophobicContact CG2-CE2 4.4Å; L605-F628 HydrophobicContact CD2-CE2 4.16Å; L607-F628 HydrophobicContact CD1-CE2 4.29Å; L607-F628 HydrophobicContact CD1-CZ 4.3Å; M615-F628 HydrophobicContact CB-CD1 4.48Å; M615-F628 HydrophobicContact CB-CE1 4.05Å; M615-F628 HydrophobicContact CG-CE1 4.14Å; M615-F628 HydrophobicContact SD-CE1 3.88Å; M615-F628 HydrophobicContact SD-CZ 4.17Å; R617-F628 PolarHBondContact O-N 2.98Å; A619-F628 PolarHBondContact O-N 3.19Å; A621-F628 HydrophobicContact CB-CB 3.96Å; A621-F628 HydrophobicContact CB-CD2 4.04Å; A621-F628 HydrophobicContact CB-CG 4.44Å; L622-F628 HydrophobicContact CD1-CE2 4.31Å; F628-S630 PolarHBondContact O-N 3.03Å; F628-I631 HydrophobicContact CD2-CD1 4.1Å; F628-I631 HydrophobicContact CD2-CG1 4.09Å; F628-I631 WeakPolarHBondContact O-CG1 3.08Å; F628-I631 PolarHBondContact O-N 3Å; F628-I632 HydrophobicContact CD1-CD1 3.75Å; F628-I632 HydrophobicContact CD1-CG1 4.2Å; F628-I632 HydrophobicContact CE1-CD1 3.65Å; F628-I632 HydrophobicContact CE1-CG1 3.94Å; F628-I632 HydrophobicContact CE2-CG1 4.27Å; F628-I632 HydrophobicContact CG-CD1 4.37Å; F628-I632 HydrophobicContact CG-CG1 4.47Å; F628-I632 HydrophobicContact CZ-CD1 4.21Å; F628-I632 HydrophobicContact CZ-CG1 3.97Å; F628-I632 WeakPolarHBondContact O-CG1 3.05Å; F628-I632 PolarHBondContact O-N 2.89Å; F628-W687 HydrophobicContact CD1-CH2 4.03Å; F628-W687 HydrophobicContact CD1-CZ2 4.23Å; F628-W687 HydrophobicContact CE1-CH2 4.26Å; F628-W687 HydrophobicContact CE1-CZ2 4.5Å |
| 629 | E | 88.5 | Confident | 82.8 | Confident | 47 Ų | 47 | 38.5 Ų | 38.5 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -47.4 | -30.1 | 173.3 | 177.5 | 173.6 | -107.4 | 0 | 0 | 114.4 | R617 P627 P779 C780 | R617-E629 HydrophobicContact CG-CB 4.16Å; R617-E629 IonicContact CZ-OE1 2.67Å; R617-E629 IonicContact NE-OE1 3.96Å; R617-E629 PolarHBondContact NE-OE1 2.81Å; R617-E629 IonicContact NH2-OE1 3.88Å; R617-E629 PolarHBondContact NH2-OE1 3.41Å; R617-E629 IonicContact NH2-OE2 2.66Å; R617-E629 PolarHBondContact NH2-OE2 2.96Å; R617-E629 WeakPolarHBondContact O-CB 3.07Å; R617-E629 PolarHBondContact O-N 3.06Å; P627-E629 VanDerWaalsContact C-N 3.29Å; P627-E629 PolarHBondContact O-N 3.1Å; E629-P779 VanDerWaalsContact OE2-CA 3.29Å; E629-P779 WeakPolarHBondContact OE2-CA 3.45Å; E629-C780 PolarHBondContact OE2-N 2.87Å; E629-C780 PolarHBondContact OE2-SG 3.32Å; E629-C780 VanDerWaalsContact OE2-SG 3.33Å |
| 630 | S | 86.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 41.5 Ų | 41.5 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -97.9 | -1.7 | -176.3 | 64.9 | 0 | 0 | 0 | 0 | 115.7 | H601 K626 P627 F628 | H601-S630 PolarHBondContact ND1-O 2.82Å; K626-S630 WeakPolarHBondContact CB-OG 3.49Å; P627-S630 VanDerWaalsContact CD-OG 3.3Å; P627-S630 WeakPolarHBondContact CD-OG 3.45Å; P627-S630 WeakPolarHBondContact CG-OG 3.5Å; P627-S630 PolarHBondContact O-N 2.73Å; P627-S630 PolarHBondContact O-OG 2.98Å; F628-S630 PolarHBondContact O-N 3.03Å |
| 631 | I | 87.5 | Confident | 79.9 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -11.9 | 174.6 | 65.3 | 171.8 | 0 | 0 | 0 | 113.4 | L602 A621 L622 F624 K626 F628 | L602-I631 PolarHBondContact N-O 3.38Å; A621-I631 HydrophobicContact CB-CD1 4.43Å; L622-I631 HydrophobicContact CB-CD1 4.3Å; L622-I631 HydrophobicContact CD1-CD1 4.04Å; L622-I631 HydrophobicContact CG-CD1 4.4Å; F624-I631 HydrophobicContact CB-CG2 4.14Å; F624-I631 HydrophobicContact CD1-CG2 4.46Å; F624-I631 HydrophobicContact CD2-CD1 3.66Å; F624-I631 HydrophobicContact CD2-CG2 4.26Å; F624-I631 HydrophobicContact CE2-CD1 4.14Å; F624-I631 HydrophobicContact CG-CD1 4.4Å; F624-I631 HydrophobicContact CG-CG2 4.06Å; K626-I631 HydrophobicContact CB-CG2 4.23Å; F628-I631 HydrophobicContact CD2-CD1 4.1Å; F628-I631 HydrophobicContact CD2-CG1 4.09Å; F628-I631 WeakPolarHBondContact O-CG1 3.08Å; F628-I631 PolarHBondContact O-N 3Å |
| 632 | I | 88.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -63.3 | 135.8 | 175.8 | -64.9 | 161.2 | 0 | 0 | 0 | 110.1 | H601 F628 L634 L672 W687 F691 | H601-I632 PolarHBondContact ND1-O 3.19Å; H601-I632 VanDerWaalsContact ND1-O 3.11Å; F628-I632 HydrophobicContact CD1-CD1 3.75Å; F628-I632 HydrophobicContact CD1-CG1 4.2Å; F628-I632 HydrophobicContact CE1-CD1 3.65Å; F628-I632 HydrophobicContact CE1-CG1 3.94Å; F628-I632 HydrophobicContact CE2-CG1 4.27Å; F628-I632 HydrophobicContact CG-CD1 4.37Å; F628-I632 HydrophobicContact CG-CG1 4.47Å; F628-I632 HydrophobicContact CZ-CD1 4.21Å; F628-I632 HydrophobicContact CZ-CG1 3.97Å; F628-I632 WeakPolarHBondContact O-CG1 3.05Å; F628-I632 PolarHBondContact O-N 2.89Å; I632-L634 PolarHBondContact O-N 3.31Å; I632-L672 HydrophobicContact CG2-CD2 4.09Å; I632-W687 HydrophobicContact CD1-CH2 3.85Å; I632-W687 HydrophobicContact CD1-CZ3 4.24Å; I632-F691 HydrophobicContact CB-CZ 4.43Å; I632-F691 HydrophobicContact CG2-CE1 3.62Å; I632-F691 HydrophobicContact CG2-CZ 3.6Å |
| 633 | P | 86.9 | Confident | 76 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | trans | -58.3 | 125.8 | 168.3 | -24.2 | 33.3 | 0 | 0 | 0 | 112.4 | L602 L605 M695 | L602-P633 HydrophobicContact CB-CG 4.33Å; L602-P633 WeakPolarHBondContact O-CA 3.31Å; L602-P633 VanDerWaalsContact O-CB 3.3Å; L602-P633 WeakPolarHBondContact O-CB 3.44Å; L602-P633 VanDerWaalsContact O-CG 3.3Å; L602-P633 WeakPolarHBondContact O-CG 3.46Å; L605-P633 HydrophobicContact CB-CG 4.06Å; P633-M695 WeakPolarHBondContact O-CE 3.47Å | ||
| 634 | L | 82.3 | Confident | 73.9 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -82 | -31.5 | -179.2 | -60.6 | 179.5 | 0 | 0 | 0 | 112.8 | I632 F691 M695 | I632-L634 PolarHBondContact O-N 3.31Å; L634-F691 HydrophobicContact CD2-CE2 4.27Å; L634-F691 HydrophobicContact CD2-CZ 4.41Å; L634-M695 WeakPolarHBondContact O-CE 3.08Å |
| 635 | E | 81.3 | Confident | 71.9 | Confident | 153 Ų | 153 | 54.8 Ų | 54.8 | 72% | 0.715 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -125.5 | 125 | 179.9 | -68.3 | 173.8 | -176.6 | 0 | 0 | 107.9 | ||
| 636 | P | 80.2 | Confident | 70 | Confident | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | trans | -76.2 | 144.9 | 171.3 | -4 | 21.5 | 0 | 0 | 0 | 109.7 | W638 M695 F721 Y724 | P636-W638 HydrophobicContact CB-CE3 4.07Å; P636-W638 HydrophobicContact CB-CZ3 3.87Å; P636-W638 HydrophobicContact CG-CZ3 4.09Å; P636-W638 VanDerWaalsContact O-CZ3 3.3Å; P636-W638 WeakPolarHBondContact O-CZ3 3.42Å; P636-M695 HydrophobicContact CG-SD 4.08Å; P636-F721 HydrophobicContact CG-CD2 4.11Å; P636-F721 HydrophobicContact CG-CE2 3.86Å; P636-Y724 HydrophobicContact CB-CD1 3.84Å; P636-Y724 HydrophobicContact CB-CD2 3.93Å; P636-Y724 HydrophobicContact CB-CE1 3.7Å; P636-Y724 HydrophobicContact CB-CE2 3.78Å; P636-Y724 HydrophobicContact CB-CG 3.95Å; P636-Y724 HydrophobicContact CG-CD1 3.62Å; P636-Y724 HydrophobicContact CG-CE1 3.25Å; P636-Y724 HydrophobicContact CG-CE2 4.26Å; P636-Y724 HydrophobicContact CG-CG 4.25Å | ||
| 637 | T | 75 | Confident | 68.1 | Low | 61 Ų | 61 | 61 Ų | 61 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | trans | -109.9 | 125.8 | 174.5 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | W668 L669 G670 | T637-W668 CarbonylContact O-C 3.2Å; T637-W668 WeakPolarHBondContact O-CA 3.32Å; T637-L669 PolarHBondContact O-N 3.36Å; T637-G670 PolarHBondContact N-O 2.84Å; T637-G670 PolarHBondContact O-N 3.21Å; T637-G670 VanDerWaalsContact OG1-CA 3.22Å; T637-G670 WeakPolarHBondContact OG1-CA 3.48Å; T637-G670 PolarHBondContact OG1-N 2.91Å | ||
| 638 | W | 69.4 | Low | 66 | Low | 45 Ų | 45 | 64.6 Ų | 64.6 | 17% | 0.17 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 155.6 | 172.6 | 61.6 | 83.3 | 0 | 0 | 0 | 109.8 | P636 I666 Y667 W668 F699 F721 | P636-W638 HydrophobicContact CB-CE3 4.07Å; P636-W638 HydrophobicContact CB-CZ3 3.87Å; P636-W638 HydrophobicContact CG-CZ3 4.09Å; P636-W638 VanDerWaalsContact O-CZ3 3.3Å; P636-W638 WeakPolarHBondContact O-CZ3 3.42Å; W638-I666 HydrophobicContact CB-CG2 3.78Å; W638-I666 HydrophobicContact CG-CG2 3.95Å; W638-Y667 VanDerWaalsContact CA-O 3.31Å; W638-Y667 WeakPolarHBondContact CA-O 3.45Å; W638-Y667 WeakPolarHBondContact CB-O 3.41Å; W638-W668 HydrophobicContact CB-CB 4.35Å; W638-F699 HydrophobicContact CH2-CD1 4.24Å; W638-F699 HydrophobicContact CH2-CD2 4.21Å; W638-F699 AromaticContact CH2-CE1 3.61Å; W638-F699 HydrophobicContact CH2-CE1 3.61Å; W638-F699 AromaticContact CH2-CE2 3.58Å; W638-F699 HydrophobicContact CH2-CE2 3.58Å; W638-F699 AromaticContact CH2-CZ 3.27Å; W638-F699 HydrophobicContact CH2-CZ 3.27Å; W638-F699 AromaticContact CZ2-CE1 3.79Å; W638-F699 HydrophobicContact CZ2-CE1 3.79Å; W638-F699 HydrophobicContact CZ2-CE2 4.11Å; W638-F699 AromaticContact CZ2-CZ 3.41Å; W638-F699 HydrophobicContact CZ2-CZ 3.41Å; W638-F699 VanDerWaalsContact CZ2-CZ 3.41Å; W638-F721 HydrophobicContact CH2-CB 3.64Å; W638-F721 AromaticContact CH2-CD2 3.68Å; W638-F721 HydrophobicContact CH2-CD2 3.68Å; W638-F721 HydrophobicContact CH2-CG 4.13Å; W638-F721 HydrophobicContact CZ2-CB 4Å; W638-F721 HydrophobicContact CZ3-CB 4.16Å; W638-F721 AromaticContact CZ3-CD2 3.74Å; W638-F721 HydrophobicContact CZ3-CD2 3.74Å; W638-F721 HydrophobicContact CZ3-CG 4.45Å |
| 639 | F | 57.5 | Low | 63.6 | Low | 71 Ų | 71 | 70.4 Ų | 70.4 | 31% | 0.311 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.6 | 179.5 | -82.6 | -116.6 | 0 | 0 | 0 | 109.1 | Y644 Y667 L669 | F639-Y644 HydrophobicContact CD1-CD2 4.48Å; F639-Y667 PolarHBondContact N-O 2.9Å; F639-L669 HydrophobicContact CD2-CB 4.42Å; F639-L669 HydrophobicContact CD2-CD1 3.47Å; F639-L669 VanDerWaalsContact CD2-CD1 3.47Å; F639-L669 HydrophobicContact CD2-CG 3.72Å; F639-L669 HydrophobicContact CE2-CD1 3.48Å; F639-L669 VanDerWaalsContact CE2-CD1 3.48Å; F639-L669 HydrophobicContact CE2-CG 4.1Å; F639-L669 HydrophobicContact CG-CD1 4.16Å; F639-L669 HydrophobicContact CZ-CD1 4.12Å |
| 640 | I | 55.2 | Low | 61.2 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 36% | 0.359 | 37% | 0.367 | S | S | . | . | trans | -75.5 | 126.9 | 164.4 | -57 | 177.7 | 0 | 0 | 0 | 106.4 | K642 E643 Y644 I666 | I640-K642 HydrophobicContact CG2-CB 4.31Å; I640-K642 PolarHBondContact O-N 2.7Å; I640-E643 HydrophobicContact CB-CG 4.23Å; I640-E643 WeakPolarHBondContact O-CB 3.34Å; I640-E643 PolarHBondContact O-N 2.65Å; I640-Y644 PolarHBondContact O-N 2.71Å; I640-I666 HydrophobicContact CG1-CD1 4.49Å | ||
| 641 | E | 53.4 | Low | 59 | Low | 34 Ų | 34 | 84 Ų | 84 | 16% | 0.159 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58 | -27.5 | -171.9 | -157.6 | 162.8 | -161 | 0 | 0 | 112.7 | Y645 L663 N664 Q665 | E641-Y645 VanDerWaalsContact O-CD2 3.28Å; E641-Y645 WeakPolarHBondContact O-CD2 3.16Å; E641-L663 HydrophobicContact CG-CD2 4.1Å; E641-L663 WeakPolarHBondContact OE2-CA 3.29Å; E641-N664 WeakPolarHBondContact OE2-CA 3.24Å; E641-N664 PolarHBondContact OE2-N 3.28Å; E641-Q665 PolarHBondContact OE2-N 3.02Å |
| 642 | K | 47 | Very low | 56.7 | Low | 79 Ų | 79 | 88.4 Ų | 88.4 | 34% | 0.343 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 171.2 | -65.6 | -172 | 179.9 | -177.8 | 0 | 114.4 | P65 I640 Y645 H646 | P65-K642 PolarHBondContact O-NZ 2.8Å; I640-K642 HydrophobicContact CG2-CB 4.31Å; I640-K642 PolarHBondContact O-N 2.7Å; K642-Y645 PolarHBondContact O-N 2.99Å; K642-H646 PolarHBondContact O-CD2 3.18Å; K642-H646 PolarHBondContact O-N 2.55Å |
| 643 | E | 43.9 | Very low | 54.3 | Low | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70 | -37.4 | -179.6 | -66.8 | 175.2 | 137.2 | 0 | 0 | 111 | I640 Y645 H646 D647 | I640-E643 HydrophobicContact CB-CG 4.23Å; I640-E643 WeakPolarHBondContact O-CB 3.34Å; I640-E643 PolarHBondContact O-N 2.65Å; E643-Y645 PolarHBondContact O-N 3.2Å; E643-Y645 VanDerWaalsContact O-N 3.17Å; E643-H646 PolarHBondContact O-N 2.94Å; E643-H646 VanDerWaalsContact O-N 3.16Å; E643-D647 PolarHBondContact O-N 3.19Å |
| 644 | Y | 42.7 | Very low | 52.1 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.3 | -28.3 | 173.4 | -173.3 | -99.4 | 0 | 0 | 0 | 112.8 | F639 I640 K648 E1362 | F639-Y644 HydrophobicContact CD1-CD2 4.48Å; I640-Y644 PolarHBondContact O-N 2.71Å; Y644-K648 WeakPolarHBondContact O-CD 3.47Å; Y644-E1362 WeakPolarHBondContact CE2-OE1 3.26Å |
| 645 | Y | 44.2 | Very low | 50.4 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 42% | 0.42 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90.4 | -38.4 | 171.6 | -73.6 | -71.1 | 0 | 0 | 0 | 113.9 | E641 K642 E643 K648 Q649 | E641-Y645 VanDerWaalsContact O-CD2 3.28Å; E641-Y645 WeakPolarHBondContact O-CD2 3.16Å; K642-Y645 PolarHBondContact O-N 2.99Å; E643-Y645 PolarHBondContact O-N 3.2Å; E643-Y645 VanDerWaalsContact O-N 3.17Å; Y645-K648 CarbonylContact O-C 3.4Å; Y645-K648 PolarHBondContact O-N 3.48Å; Y645-Q649 VanDerWaalsContact O-CB 3.24Å; Y645-Q649 WeakPolarHBondContact O-CB 3.49Å; Y645-Q649 VanDerWaalsContact O-CG 3.31Å; Y645-Q649 WeakPolarHBondContact O-CG 3.4Å; Y645-Q649 PolarHBondContact O-N 2.92Å |
| 646 | H | 39.9 | Very low | 48.6 | Very low | 120 Ų | 120 | 91.9 Ų | 91.9 | 56% | 0.556 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.8 | -43.4 | -173 | -86.7 | -53.9 | 0 | 0 | 0 | 114.3 | K642 E643 K648 Q649 | K642-H646 PolarHBondContact O-CD2 3.18Å; K642-H646 PolarHBondContact O-N 2.55Å; E643-H646 PolarHBondContact O-N 2.94Å; E643-H646 VanDerWaalsContact O-N 3.16Å; H646-K648 PolarHBondContact O-N 3.15Å; H646-K648 VanDerWaalsContact O-N 3.17Å; H646-Q649 PolarHBondContact CE1-OE1 2.69Å; H646-Q649 PolarHBondContact ND1-OE1 2.91Å; H646-Q649 WeakPolarHBondContact O-CB 3.46Å; H646-Q649 PolarHBondContact O-N 2.84Å |
| 647 | D | 42.4 | Very low | 46.8 | Very low | 169 Ų | 169 | 92.2 Ų | 92.2 | 90% | 0.904 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.1 | 177 | -112.7 | 12.3 | 0 | 0 | 0 | 113 | E643 | E643-D647 PolarHBondContact O-N 3.19Š|
| 648 | K | 43.3 | Very low | 45.5 | Very low | 101 Ų | 101 | 92.3 Ų | 92.3 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 9.5 | 173.9 | -65.7 | 175.5 | -176.4 | 160.6 | 0 | 112.5 | Y644 Y645 H646 E1362 | Y644-K648 WeakPolarHBondContact O-CD 3.47Å; Y645-K648 CarbonylContact O-C 3.4Å; Y645-K648 PolarHBondContact O-N 3.48Å; H646-K648 PolarHBondContact O-N 3.15Å; H646-K648 VanDerWaalsContact O-N 3.17Å; K648-E1362 IonicContact NZ-OE1 3.76Å; K648-E1362 PolarHBondContact NZ-OE1 2.68Å; K648-E1362 IonicContact NZ-OE2 3.77Å; K648-E1362 PolarHBondContact NZ-OE2 2.9Å |
| 649 | Q | 39.7 | Very low | 44.4 | Very low | 122 Ų | 122 | 94.2 Ų | 94.2 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 9 | -162.3 | -120 | 176.4 | 27.7 | 0 | 0 | 119.2 | Y645 H646 | Y645-Q649 VanDerWaalsContact O-CB 3.24Å; Y645-Q649 WeakPolarHBondContact O-CB 3.49Å; Y645-Q649 VanDerWaalsContact O-CG 3.31Å; Y645-Q649 WeakPolarHBondContact O-CG 3.4Å; Y645-Q649 PolarHBondContact O-N 2.92Å; H646-Q649 PolarHBondContact CE1-OE1 2.69Å; H646-Q649 PolarHBondContact ND1-OE1 2.91Å; H646-Q649 WeakPolarHBondContact O-CB 3.46Å; H646-Q649 PolarHBondContact O-N 2.84Å |
| 650 | E | 39 | Very low | 43.9 | Very low | 202 Ų | 202 | 92 Ų | 92 | 94% | 0.944 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 8.6 | 172.2 | -76.3 | -146 | 137.1 | 0 | 0 | 115 | ||
| 651 | L | 40.3 | Very low | 43.5 | Very low | 147 Ų | 147 | 93.3 Ų | 93.3 | 77% | 0.77 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -135.1 | 106.3 | 179.7 | -153.1 | 75.6 | 0 | 0 | 0 | 115.5 | ||
| 652 | S | 39 | Very low | 43.3 | Very low | 93 Ų | 93 | 95.2 Ų | 95.2 | 65% | 0.65 | 48% | 0.48 | S | S | * | . | trans | 59.9 | 111.1 | 169.7 | 50.8 | 0 | 0 | 0 | 0 | 117.4 | D654 | S652-D654 WeakPolarHBondContact CB-OD2 3.33Å; S652-D654 PolarHBondContact O-N 3.19Å | ||
| 653 | T | 38.1 | Very low | 43.3 | Very low | 122 Ų | 122 | 93.9 Ų | 93.9 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -74.9 | 52.4 | -178.7 | 40.6 | 0 | 0 | 0 | 0 | 113.1 | K219 | K219-T653 PolarHBondContact NZ-O 2.77Å; K219-T653 PolarHBondContact NZ-OG1 3.2Å |
| 654 | D | 41 | Very low | 43.6 | Very low | 24 Ų | 24 | 92.6 Ų | 92.6 | 13% | 0.128 | 47% | 0.474 | C | S | . | . | trans | -137.9 | 24 | -154.9 | -67.8 | -68.9 | 0 | 0 | 0 | 115.1 | K219 L246 K247 S652 | K219-D654 WeakPolarHBondContact CB-OD1 3.35Å; K219-D654 WeakPolarHBondContact CG-OD1 3.49Å; K219-D654 IonicContact NZ-OD1 3.07Å; K219-D654 PolarHBondContact NZ-OD1 3.06Å; K219-D654 IonicContact NZ-OD2 2.93Å; K219-D654 PolarHBondContact NZ-OD2 3.42Å; L246-D654 HydrophobicContact CD1-CB 4.44Å; L246-D654 VanDerWaalsContact CD1-CG 3.49Å; L246-D654 WeakPolarHBondContact CD1-OD1 3.41Å; K247-D654 WeakPolarHBondContact CE-O 3.2Å; K247-D654 PolarHBondContact NZ-O 3.4Å; S652-D654 WeakPolarHBondContact CB-OD2 3.33Å; S652-D654 PolarHBondContact O-N 3.19Å | ||
| 655 | N | 45.2 | Very low | 43.9 | Very low | 97 Ų | 97 | 91.7 Ų | 91.7 | 52% | 0.519 | 47% | 0.472 | S | S | . | . | trans | -143.6 | 8.7 | 175.4 | -138.2 | 23.1 | 0 | 0 | 0 | 115.2 | K247 N657 | K247-N655 VanDerWaalsContact NZ-CG 3.33Å; K247-N655 PolarHBondContact NZ-OD1 2.85Å; N655-N657 PolarHBondContact O-N 3.03Å | ||
| 656 | V | 43.7 | Very low | 44.3 | Very low | 63 Ų | 63 | 87.5 Ų | 87.5 | 38% | 0.382 | 46% | 0.457 | S | S | . | . | trans | -77.7 | 108.1 | 163.4 | 179.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 657 | N | 43.3 | Very low | 45.2 | Very low | 18 Ų | 18 | 86 Ų | 86 | 10% | 0.096 | 45% | 0.447 | C | S | . | . | trans | 156.8 | 105.8 | 145.2 | -84.5 | -52.8 | 0 | 0 | 0 | 111.3 | V164 Y166 S194 N655 | V164-N657 WeakPolarHBondContact CG1-OD1 3.41Å; V164-N657 VanDerWaalsContact CG2-ND2 3.32Å; V164-N657 WeakPolarHBondContact CG2-ND2 3.22Å; Y166-N657 WeakPolarHBondContact CE2-OD1 3.32Å; Y166-N657 VanDerWaalsContact OH-C 3.3Å; Y166-N657 WeakPolarHBondContact OH-CA 3.39Å; Y166-N657 WeakPolarHBondContact OH-CB 3.35Å; Y166-N657 VanDerWaalsContact OH-CG 3.25Å; Y166-N657 PolarHBondContact OH-OD1 3.48Å; S194-N657 WeakPolarHBondContact CB-ND2 3.32Å; S194-N657 PolarHBondContact OG-ND2 3.18Å; N655-N657 PolarHBondContact O-N 3.03Å | ||
| 658 | D | 46.6 | Very low | 46.3 | Very low | 64 Ų | 64 | 80.3 Ų | 80.3 | 34% | 0.342 | 41% | 0.413 | S | S | . | . | S | Bend | -173.6 | 131.9 | 129.9 | -78.3 | -32.3 | 0 | 0 | 0 | 107.2 | Y166 H196 R249 | Y166-D658 VanDerWaalsContact OH-CA 3.25Å; Y166-D658 WeakPolarHBondContact OH-CA 3.47Å; Y166-D658 PolarHBondContact OH-N 3.28Å; Y166-D658 VanDerWaalsContact OH-N 3.15Å; H196-D658 IonicContact ND1-OD1 2.7Å; R249-D658 IonicContact CZ-OD2 3.17Å; R249-D658 IonicContact NH1-OD2 2.78Å; R249-D658 PolarHBondContact NH1-OD2 3.33Å | |
| 659 | D | 47.8 | Very low | 47.3 | Very low | 84 Ų | 84 | 76.9 Ų | 76.9 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | trans | 54.6 | 117.3 | -171.4 | -74.6 | -33.9 | 0 | 0 | 0 | 116.7 | K144 | K144-D659 IonicContact NZ-OD1 3.63Å; K144-D659 PolarHBondContact NZ-OD1 3.3Å | ||
| 660 | I | 47 | Very low | 49 | Very low | 24 Ų | 24 | 71.1 Ų | 71.1 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | trans | -120.6 | -11.3 | -175.9 | -71 | -176.1 | 0 | 0 | 0 | 114.2 | I101 K140 I142 E662 L663 | I101-I660 HydrophobicContact CD1-CG2 4.05Å; K140-I660 HydrophobicContact CD-CD1 3.66Å; I142-I660 HydrophobicContact CD1-CB 4.44Å; I660-E662 PolarHBondContact O-N 3.19Å; I660-L663 HydrophobicContact CG1-CD1 4.29Å; I660-L663 HydrophobicContact CG2-CD1 4.16Å; I660-L663 WeakPolarHBondContact O-CB 3.48Å; I660-L663 PolarHBondContact O-N 2.94Å | ||
| 661 | D | 46.7 | Very low | 51.3 | Low | 99 Ų | 99 | 61.5 Ų | 61.5 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -1.3 | 176.7 | -53.3 | -89.1 | 0 | 0 | 0 | 114 | H103 | H103-D661 VanDerWaalsContact CE1-CG 3.5Å; H103-D661 IonicContact CE1-OD1 2.64Å; H103-D661 PolarHBondContact CE1-OD1 3.17Å; H103-D661 VanDerWaalsContact CE1-OD1 3.3Å; H103-D661 IonicContact CE1-OD2 2.72Å; H103-D661 PolarHBondContact CE1-OD2 2.99Å; H103-D661 IonicContact ND1-OD1 2.63Å; H103-D661 PolarHBondContact ND1-OD1 3.14Å; H103-D661 IonicContact ND1-OD2 2.9Å; H103-D661 PolarHBondContact ND1-OD2 3.21Å |
| 662 | E | 49.3 | Very low | 53.9 | Low | 73 Ų | 73 | 54.5 Ų | 54.5 | 34% | 0.341 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -6.6 | 171.9 | -62.8 | -153.8 | 95.4 | 0 | 0 | 113.5 | I660 N664 Q665 R1056 | I660-E662 PolarHBondContact O-N 3.19Å; E662-N664 VanDerWaalsContact C-N 3.26Å; E662-N664 PolarHBondContact O-N 3.47Å; E662-Q665 WeakPolarHBondContact O-CG 3.39Å; E662-Q665 PolarHBondContact O-N 3.12Å; E662-Q665 VanDerWaalsContact O-N 3.13Å; E662-Q665 PolarHBondContact OE1-NE2 2.89Å; E662-R1056 IonicContact OE2-CZ 3.87Å; E662-R1056 IonicContact OE2-NH1 3.94Å; E662-R1056 PolarHBondContact OE2-NH1 2.74Å; E662-R1056 IonicContact OE2-NH2 2.69Å; E662-R1056 PolarHBondContact OE2-NH2 2.88Å |
| 663 | L | 47.2 | Very low | 56.5 | Low | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 38.4 | -159 | -132.9 | 170.3 | 0 | 0 | 0 | 116.9 | E641 I660 | E641-L663 HydrophobicContact CG-CD2 4.1Å; E641-L663 WeakPolarHBondContact OE2-CA 3.29Å; I660-L663 HydrophobicContact CG1-CD1 4.29Å; I660-L663 HydrophobicContact CG2-CD1 4.16Å; I660-L663 WeakPolarHBondContact O-CB 3.48Å; I660-L663 PolarHBondContact O-N 2.94Å |
| 664 | N | 48.3 | Very low | 59.3 | Low | 90 Ų | 90 | 44.6 Ų | 44.6 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | 27.7 | 159.9 | -87.7 | -65 | 0 | 0 | 0 | 110.8 | E641 E662 I666 | E641-N664 WeakPolarHBondContact OE2-CA 3.24Å; E641-N664 PolarHBondContact OE2-N 3.28Å; E662-N664 VanDerWaalsContact C-N 3.26Å; E662-N664 PolarHBondContact O-N 3.47Å; N664-I666 PolarHBondContact O-N 3.46Å |
| 665 | Q | 50.5 | Low | 61.8 | Low | 56 Ų | 56 | 45 Ų | 45 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | trans | -78.2 | 90.1 | 176.4 | -80.1 | -170.9 | 61.4 | 0 | 0 | 109.7 | E641 E662 Y667 | E641-Q665 PolarHBondContact OE2-N 3.02Å; E662-Q665 WeakPolarHBondContact O-CG 3.39Å; E662-Q665 PolarHBondContact O-N 3.12Å; E662-Q665 VanDerWaalsContact O-N 3.13Å; E662-Q665 PolarHBondContact OE1-NE2 2.89Å; Q665-Y667 HydrophobicContact CB-CD2 4.47Å; Q665-Y667 HydrophobicContact CB-CE1 4.12Å; Q665-Y667 HydrophobicContact CB-CE2 3.76Å; Q665-Y667 WeakPolarHBondContact O-CD2 3.24Å; Q665-Y667 WeakPolarHBondContact O-CE2 3.42Å; Q665-Y667 PolarHBondContact O-N 3.3Å; Q665-Y667 PolarHBondContact OE1-OH 3.28Å | ||
| 666 | I | 51.8 | Low | 64.2 | Low | 18 Ų | 18 | 42.6 Ų | 42.6 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | trans | -59.6 | 114.5 | 163 | -62.7 | -177.1 | 0 | 0 | 0 | 108 | W638 I640 N664 F719 K723 | W638-I666 HydrophobicContact CB-CG2 3.78Å; W638-I666 HydrophobicContact CG-CG2 3.95Å; I640-I666 HydrophobicContact CG1-CD1 4.49Å; N664-I666 PolarHBondContact O-N 3.46Å; I666-F719 HydrophobicContact CD1-CD1 3.67Å; I666-F719 HydrophobicContact CD1-CE1 4.39Å; I666-F719 HydrophobicContact CG1-CD1 4.43Å; I666-K723 HydrophobicContact CB-CD 4.32Å; I666-K723 WeakPolarHBondContact O-CD 3.45Å; I666-K723 WeakPolarHBondContact O-CE 3.47Å; I666-K723 PolarHBondContact O-NZ 2.79Å | ||
| 667 | Y | 59.6 | Low | 66.7 | Low | 90 Ų | 90 | 40 Ų | 40 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129.3 | 172.2 | -59.2 | -80.6 | 0 | 0 | 0 | 108.7 | W638 F639 Q665 | W638-Y667 VanDerWaalsContact CA-O 3.31Å; W638-Y667 WeakPolarHBondContact CA-O 3.45Å; W638-Y667 WeakPolarHBondContact CB-O 3.41Å; F639-Y667 PolarHBondContact N-O 2.9Å; Q665-Y667 HydrophobicContact CB-CD2 4.47Å; Q665-Y667 HydrophobicContact CB-CE1 4.12Å; Q665-Y667 HydrophobicContact CB-CE2 3.76Å; Q665-Y667 WeakPolarHBondContact O-CD2 3.24Å; Q665-Y667 WeakPolarHBondContact O-CE2 3.42Å; Q665-Y667 PolarHBondContact O-N 3.3Å; Q665-Y667 PolarHBondContact OE1-OH 3.28Å |
| 668 | W | 64.2 | Low | 69.3 | Low | 48 Ų | 48 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 124.2 | 165.8 | 64 | -90.5 | 0 | 0 | 0 | 108.2 | T637 W638 N673 Y724 | T637-W668 CarbonylContact O-C 3.2Å; T637-W668 WeakPolarHBondContact O-CA 3.32Å; W638-W668 HydrophobicContact CB-CB 4.35Å; W668-N673 HydrophobicContact CH2-CB 3.49Å; W668-N673 VanDerWaalsContact CH2-CB 3.49Å; W668-N673 WeakPolarHBondContact CH2-ND2 3.44Å; W668-N673 HydrophobicContact CZ2-CB 3.97Å; W668-N673 WeakPolarHBondContact CZ2-ND2 3.35Å; W668-N673 HydrophobicContact CZ3-CB 4.09Å; W668-Y724 HydrophobicContact CB-CD2 4.46Å |
| 669 | L | 64.2 | Low | 71.7 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 15% | 0.152 | 20% | 0.199 | C | C | . | . | trans | -96.3 | -19.2 | 176.7 | -62.1 | -163.5 | 0 | 0 | 0 | 112.1 | R604 T637 F639 T1365 | R604-L669 VanDerWaalsContact CD-O 3.3Å; R604-L669 WeakPolarHBondContact CD-O 3.47Å; R604-L669 PolarHBondContact NH1-O 3.41Å; T637-L669 PolarHBondContact O-N 3.36Å; F639-L669 HydrophobicContact CD2-CB 4.42Å; F639-L669 HydrophobicContact CD2-CD1 3.47Å; F639-L669 VanDerWaalsContact CD2-CD1 3.47Å; F639-L669 HydrophobicContact CD2-CG 3.72Å; F639-L669 HydrophobicContact CE2-CD1 3.48Å; F639-L669 VanDerWaalsContact CE2-CD1 3.48Å; F639-L669 HydrophobicContact CE2-CG 4.1Å; F639-L669 HydrophobicContact CG-CD1 4.16Å; F639-L669 HydrophobicContact CZ-CD1 4.12Å; L669-T1365 HydrophobicContact CD2-CG2 3.9Å | ||
| 670 | G | 75.3 | Confident | 74 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -154.2 | -172.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T637 | T637-G670 PolarHBondContact N-O 2.84Å; T637-G670 PolarHBondContact O-N 3.21Å; T637-G670 VanDerWaalsContact OG1-CA 3.22Å; T637-G670 WeakPolarHBondContact OG1-CA 3.48Å; T637-G670 PolarHBondContact OG1-N 2.91Å |
| 671 | G | 89.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.5 | -170 | -161.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S603 L605 | S603-G671 PolarHBondContact O-N 2.83Å; L605-G671 PolarHBondContact N-O 2.66Å |
| 672 | L | 93.5 | Very high | 78.6 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.5 | 180 | 175.4 | 63.5 | 0 | 0 | 0 | 110 | L605 I632 I674 F688 Y724 I729 | L605-L672 HydrophobicContact CB-CD1 4.18Å; L605-L672 HydrophobicContact CD2-CD1 4.01Å; L605-L672 HydrophobicContact CG-CD1 3.97Å; L605-L672 WeakPolarHBondContact O-CA 3.42Å; I632-L672 HydrophobicContact CG2-CD2 4.09Å; L672-I674 HydrophobicContact CD1-CG2 3.71Å; L672-I674 HydrophobicContact CD2-CG2 4.21Å; L672-I674 HydrophobicContact CG-CG2 3.83Å; L672-F688 HydrophobicContact CD2-CE2 3.63Å; L672-F688 HydrophobicContact CD2-CZ 3.69Å; L672-Y724 PolarHBondContact N-OH 3.42Å; L672-Y724 WeakPolarHBondContact O-CE2 3.15Å; L672-Y724 PolarHBondContact O-OH 3.29Å; L672-I729 HydrophobicContact CB-CD1 4.22Å; L672-I729 HydrophobicContact CD2-CD1 4.36Å; L672-I729 HydrophobicContact CG-CD1 4.24Å; L672-I729 WeakPolarHBondContact O-CD1 3.24Å |
| 673 | N | 94.6 | Very high | 80.7 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.5 | 171.7 | 180 | 16.4 | 0 | 0 | 0 | 110.7 | L605 D606 L607 S608 W668 I675 A728 | L605-N673 PolarHBondContact O-N 3.06Å; D606-N673 HydrophobicContact CB-CB 4.38Å; D606-N673 PolarHBondContact OD2-ND2 3.26Å; L607-N673 PolarHBondContact N-O 3.48Å; S608-N673 WeakPolarHBondContact CB-ND2 3.27Å; S608-N673 PolarHBondContact N-O 3.16Å; S608-N673 PolarHBondContact OG-ND2 2.73Å; W668-N673 HydrophobicContact CH2-CB 3.49Å; W668-N673 VanDerWaalsContact CH2-CB 3.49Å; W668-N673 WeakPolarHBondContact CH2-ND2 3.44Å; W668-N673 HydrophobicContact CZ2-CB 3.97Å; W668-N673 WeakPolarHBondContact CZ2-ND2 3.35Å; W668-N673 HydrophobicContact CZ3-CB 4.09Å; N673-I675 WeakPolarHBondContact OD1-CG1 3.44Å; N673-I675 PolarHBondContact OD1-N 3.47Å; N673-A728 HydrophobicContact CB-CB 4.13Å; N673-A728 PolarHBondContact OD1-O 2.95Å |
| 674 | I | 95.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -132.7 | 5.2 | -174.1 | 56.5 | 169.1 | 0 | 0 | 0 | 113.8 | L607 M615 L672 N677 F679 F688 A728 I729 F731 | L607-I674 HydrophobicContact CB-CG2 4.35Å; L607-I674 HydrophobicContact CD1-CG2 4.46Å; M615-I674 HydrophobicContact CE-CD1 3.87Å; M615-I674 HydrophobicContact SD-CD1 4.49Å; M615-I674 HydrophobicContact SD-CG2 4.44Å; L672-I674 HydrophobicContact CD1-CG2 3.71Å; L672-I674 HydrophobicContact CD2-CG2 4.21Å; L672-I674 HydrophobicContact CG-CG2 3.83Å; I674-N677 PolarHBondContact O-ND2 2.89Å; I674-F679 HydrophobicContact CB-CE2 3.98Å; I674-F679 HydrophobicContact CB-CZ 4.28Å; I674-F679 HydrophobicContact CD1-CE2 4.12Å; I674-F679 HydrophobicContact CG1-CE2 4.38Å; I674-F688 HydrophobicContact CD1-CE1 3.59Å; I674-F688 HydrophobicContact CD1-CZ 3.77Å; I674-A728 WeakPolarHBondContact CG1-O 3.37Å; I674-A728 PolarHBondContact N-O 3.3Å; I674-I729 HydrophobicContact CG1-CD1 4.38Å; I674-F731 HydrophobicContact CD1-CD1 3.93Å; I674-F731 HydrophobicContact CD1-CE1 3.73Å; I674-F731 HydrophobicContact CG1-CD1 4.35Å | ||
| 675 | I | 94.6 | Very high | 85.1 | Confident | 34 Ų | 34 | 20.2 Ų | 20.2 | 17% | 0.174 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 158.2 | -177 | 69.3 | 179 | 0 | 0 | 0 | 113.2 | S608 Y609 N673 N677 E727 | S608-I675 CarbonylContact C-O 3.25Å; S608-I675 WeakPolarHBondContact CA-O 3.31Å; S608-I675 WeakPolarHBondContact CB-O 3.48Å; Y609-I675 HydrophobicContact CE2-CD1 3.94Å; Y609-I675 HydrophobicContact CE2-CG1 3.97Å; Y609-I675 PolarHBondContact N-O 2.85Å; Y609-I675 WeakPolarHBondContact OH-CD1 3.49Å; N673-I675 WeakPolarHBondContact OD1-CG1 3.44Å; N673-I675 PolarHBondContact OD1-N 3.47Å; I675-N677 PolarHBondContact O-N 3.13Å; I675-E727 WeakPolarHBondContact CD1-O 3.31Å; I675-E727 WeakPolarHBondContact CG2-O 3.16Å |
| 676 | G | 95.1 | Very high | 87.1 | Confident | 46 Ų | 46 | 17.5 Ų | 17.5 | 47% | 0.474 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 10.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 677 | N | 97.2 | Very high | 89 | Confident | 7 Ų | 7 | 16.9 Ų | 16.9 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | trans | -91.2 | 143 | 170.3 | -78.6 | -82.8 | 0 | 0 | 0 | 111.1 | L607 N610 L611 L612 I674 I675 F679 | L607-N677 PolarHBondContact O-ND2 2.03Å; N610-N677 VanDerWaalsContact CA-OD1 3.3Å; N610-N677 WeakPolarHBondContact CA-OD1 3.48Å; N610-N677 WeakPolarHBondContact CB-OD1 3.27Å; N610-N677 PolarHBondContact N-OD1 2.86Å; N610-N677 PolarHBondContact O-OD1 3.01Å; L611-N677 PolarHBondContact N-OD1 3.42Å; L612-N677 HydrophobicContact CB-CB 4.22Å; L612-N677 VanDerWaalsContact CB-OD1 3.3Å; L612-N677 WeakPolarHBondContact CB-OD1 3.39Å; L612-N677 WeakPolarHBondContact CG-OD1 3.45Å; L612-N677 PolarHBondContact N-OD1 3.44Å; I674-N677 PolarHBondContact O-ND2 2.89Å; I675-N677 PolarHBondContact O-N 3.13Å; N677-F679 HydrophobicContact CB-CD2 3.72Å; N677-F679 HydrophobicContact CB-CE1 4.45Å; N677-F679 HydrophobicContact CB-CE2 3.46Å; N677-F679 VanDerWaalsContact CB-CE2 3.46Å; N677-F679 HydrophobicContact CB-CG 4.35Å; N677-F679 HydrophobicContact CB-CZ 3.86Å; N677-F679 PolarHBondContact O-N 3.5Å | ||
| 678 | P | 96.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 12.6 Ų | 12.6 | 22% | 0.221 | 8% | 0.076 | C | C | . | . | trans | -80.4 | 56 | -179.1 | 35.6 | -38 | 0 | 0 | 0 | 112.8 | L612 I613 V680 Y734 | L612-P678 CarbonylContact O-C 3.57Å; L612-P678 WeakPolarHBondContact O-CD 3.04Å; I613-P678 HydrophobicContact CG2-CG 4.35Å; P678-V680 PolarHBondContact O-N 3.17Å; P678-Y734 HydrophobicContact CB-CD1 4Å; P678-Y734 HydrophobicContact CB-CG 4.08Å | ||
| 679 | F | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -65.4 | 128.4 | -177.1 | -74 | -60.7 | 0 | 0 | 0 | 113.1 | L612 I613 M615 I674 N677 L685 F731 Y734 | L612-F679 HydrophobicContact CB-CD1 4.49Å; L612-F679 HydrophobicContact CB-CE1 3.72Å; L612-F679 HydrophobicContact CB-CZ 4.04Å; L612-F679 HydrophobicContact CD1-CZ 4.44Å; L612-F679 PolarHBondContact O-N 3.08Å; I613-F679 WeakPolarHBondContact O-CA 3.46Å; M615-F679 HydrophobicContact CE-CE1 4.13Å; M615-F679 HydrophobicContact CE-CZ 3.98Å; M615-F679 HydrophobicContact CG-CE1 3.78Å; M615-F679 HydrophobicContact CG-CZ 4.14Å; M615-F679 HydrophobicContact SD-CE1 4.29Å; M615-F679 HydrophobicContact SD-CZ 4.07Å; I674-F679 HydrophobicContact CB-CE2 3.98Å; I674-F679 HydrophobicContact CB-CZ 4.28Å; I674-F679 HydrophobicContact CD1-CE2 4.12Å; I674-F679 HydrophobicContact CG1-CE2 4.38Å; N677-F679 HydrophobicContact CB-CD2 3.72Å; N677-F679 HydrophobicContact CB-CE1 4.45Å; N677-F679 HydrophobicContact CB-CE2 3.46Å; N677-F679 VanDerWaalsContact CB-CE2 3.46Å; N677-F679 HydrophobicContact CB-CG 4.35Å; N677-F679 HydrophobicContact CB-CZ 3.86Å; N677-F679 PolarHBondContact O-N 3.5Å; F679-L685 HydrophobicContact CB-CD1 4.05Å; F679-L685 HydrophobicContact CD1-CD1 4.35Å; F679-L685 HydrophobicContact CG-CD1 4.4Å; F679-F731 HydrophobicContact CB-CD2 3.81Å; F679-F731 HydrophobicContact CB-CE2 3.36Å; F679-F731 HydrophobicContact CB-CZ 3.87Å; F679-F731 AromaticContact CD2-CD1 3.66Å; F679-F731 HydrophobicContact CD2-CD1 3.66Å; F679-F731 AromaticContact CD2-CD2 3.78Å; F679-F731 HydrophobicContact CD2-CD2 3.78Å; F679-F731 AromaticContact CD2-CE1 3.64Å; F679-F731 HydrophobicContact CD2-CE1 3.64Å; F679-F731 AromaticContact CD2-CE2 3.74Å; F679-F731 HydrophobicContact CD2-CE2 3.74Å; F679-F731 AromaticContact CD2-CG 3.75Å; F679-F731 HydrophobicContact CD2-CG 3.75Å; F679-F731 AromaticContact CD2-CZ 3.68Å; F679-F731 HydrophobicContact CD2-CZ 3.68Å; F679-F731 HydrophobicContact CE2-CD1 4.05Å; F679-F731 HydrophobicContact CE2-CE1 4.04Å; F679-F731 HydrophobicContact CE2-CG 4.48Å; F679-F731 HydrophobicContact CE2-CZ 4.45Å; F679-F731 HydrophobicContact CG-CD2 4.26Å; F679-F731 HydrophobicContact CG-CE1 4.35Å; F679-F731 AromaticContact CG-CE2 3.89Å; F679-F731 HydrophobicContact CG-CE2 3.89Å; F679-F731 AromaticContact CG-CZ 3.94Å; F679-F731 HydrophobicContact CG-CZ 3.94Å; F679-Y734 PolarHBondContact O-N 2.92Å | ||
| 680 | V | 96.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 13.1 Ų | 13.1 | 19% | 0.188 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -84.4 | 116 | 169.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | I613 P678 D682 L685 Y734 | I613-V680 PolarHBondContact O-N 3.5Å; P678-V680 PolarHBondContact O-N 3.17Å; V680-D682 PolarHBondContact O-N 3.02Å; V680-L685 VanDerWaalsContact O-CD1 3.3Å; V680-L685 WeakPolarHBondContact O-CD1 3.14Å; V680-Y734 WeakPolarHBondContact CA-O 3.19Å |
| 681 | C | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | -80.2 | 83.8 | -179.6 | -70.8 | 0 | 0 | 0 | 0 | 110.4 | C733 N737 W739 L747 L752 | C681-C733 HydrophobicContact CB-CB 3.62Å; C681-C733 WeakPolarHBondContact CB-SG 3.48Å; C681-C733 VanDerWaalsContact SG-CA 3.59Å; C681-C733 WeakPolarHBondContact SG-CB 3.39Å; C681-C733 CovalentContact SG-SG 2.02Å; C681-C733 PolarHBondContact SG-SG 3.19Å; C681-N737 PolarHBondContact O-ND2 3.06Å; C681-W739 HydrophobicContact CB-CB 4.09Å; C681-L747 HydrophobicContact CB-CD1 3.91Å; C681-L752 HydrophobicContact CB-CD2 3.69Å | ||
| 682 | D | 94.6 | Very high | 94 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.027 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -125.3 | -176.7 | 173.7 | 64.4 | 49.1 | 0 | 0 | 0 | 111.2 | V680 R684 L685 L752 E755 H757 | V680-D682 PolarHBondContact O-N 3.02Å; D682-R684 PolarHBondContact O-N 3.09Å; D682-R684 WeakPolarHBondContact OD1-CB 3.42Å; D682-R684 WeakPolarHBondContact OD1-CG 3.14Å; D682-R684 IonicContact OD1-CZ 3.24Å; D682-R684 PolarHBondContact OD1-N 3.3Å; D682-R684 IonicContact OD1-NE 3.14Å; D682-R684 PolarHBondContact OD1-NE 3.39Å; D682-R684 IonicContact OD1-NH2 2.9Å; D682-R684 IonicContact OD2-CZ 3.29Å; D682-R684 VanDerWaalsContact OD2-CZ 3.31Å; D682-R684 IonicContact OD2-NE 3.86Å; D682-R684 PolarHBondContact OD2-NE 3.43Å; D682-R684 VanDerWaalsContact OD2-NE 3.13Å; D682-R684 IonicContact OD2-NH2 3.76Å; D682-R684 PolarHBondContact OD2-NH2 2.89Å; D682-L685 PolarHBondContact O-N 3.26Å; D682-L752 CarbonylContact C-O 3.48Å; D682-E755 HydrophobicContact CB-CB 4.1Å; D682-H757 HydrophobicContact CB-CB 4.45Å; D682-H757 IonicContact OD2-CD2 2.67Å; D682-H757 IonicContact OD2-CG 3.12Å |
| 683 | C | 93.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -51.6 | -23.8 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | L685 A686 L752 Y753 E755 H757 C760 | C683-L685 PolarHBondContact O-N 3.35Å; C683-A686 WeakPolarHBondContact O-CB 3.4Å; C683-A686 PolarHBondContact O-N 3.22Å; C683-L752 VanDerWaalsContact CA-O 3.29Å; C683-L752 WeakPolarHBondContact CA-O 3.39Å; C683-L752 PolarHBondContact N-O 3.22Å; C683-Y753 HydrophobicContact CB-CD1 3.7Å; C683-Y753 HydrophobicContact CB-CE1 3.97Å; C683-E755 PolarHBondContact N-O 3.39Å; C683-H757 PolarHBondContact SG-N 2.99Å; C683-C760 VanDerWaalsContact C-SG 3.5Å; C683-C760 HydrophobicContact CB-CB 3.98Å; C683-C760 WeakPolarHBondContact CB-SG 3.46Å; C683-C760 WeakPolarHBondContact SG-CB 3.09Å; C683-C760 CovalentContact SG-SG 2.03Å; C683-C760 PolarHBondContact SG-SG 3.22Å |
| 684 | R | 93.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 20 Ų | 20 | 6% | 0.057 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -69.8 | -16.9 | 177.7 | -57.3 | 174.8 | -65.7 | -174.2 | -5.6 | 113.4 | T614 D682 W687 H757 D759 C760 Y767 | T614-R684 WeakPolarHBondContact OG1-CB 3.41Å; D682-R684 PolarHBondContact O-N 3.09Å; D682-R684 WeakPolarHBondContact OD1-CB 3.42Å; D682-R684 WeakPolarHBondContact OD1-CG 3.14Å; D682-R684 IonicContact OD1-CZ 3.24Å; D682-R684 PolarHBondContact OD1-N 3.3Å; D682-R684 IonicContact OD1-NE 3.14Å; D682-R684 PolarHBondContact OD1-NE 3.39Å; D682-R684 IonicContact OD1-NH2 2.9Å; D682-R684 IonicContact OD2-CZ 3.29Å; D682-R684 VanDerWaalsContact OD2-CZ 3.31Å; D682-R684 IonicContact OD2-NE 3.86Å; D682-R684 PolarHBondContact OD2-NE 3.43Å; D682-R684 VanDerWaalsContact OD2-NE 3.13Å; D682-R684 IonicContact OD2-NH2 3.76Å; D682-R684 PolarHBondContact OD2-NH2 2.89Å; R684-W687 PolarHBondContact O-NE1 2.66Å; R684-H757 HydrophobicContact CG-CB 4.22Å; R684-H757 VanDerWaalsContact CZ-CE1 3.47Å; R684-H757 VanDerWaalsContact CZ-NE2 3.25Å; R684-H757 PolarHBondContact NH1-CE1 2.98Å; R684-H757 PolarHBondContact NH1-NE2 3.04Å; R684-H757 VanDerWaalsContact NH1-NE2 3.17Å; R684-H757 PolarHBondContact NH2-CD2 3.05Å; R684-H757 PolarHBondContact NH2-NE2 2.99Å; R684-D759 WeakPolarHBondContact CD-OD2 3.33Å; R684-D759 HydrophobicContact CG-CB 4.41Å; R684-D759 IonicContact CZ-OD2 3.2Å; R684-D759 IonicContact NE-OD2 2.69Å; R684-D759 IonicContact NH1-OD2 3.74Å; R684-D759 PolarHBondContact NH1-OD2 3.06Å; R684-C760 VanDerWaalsContact CG-SG 3.55Å; R684-C760 PolarHBondContact N-SG 3.03Å; R684-Y767 HydrophobicContact CB-CD1 4.06Å; R684-Y767 HydrophobicContact CB-CE1 3.74Å; R684-Y767 HydrophobicContact CG-CD1 4.26Å; R684-Y767 HydrophobicContact CG-CE1 3.94Å; R684-Y767 HydrophobicContact CG-CE2 4.3Å |
| 685 | L | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -100.9 | -4 | 173.7 | -64.7 | -176.1 | 0 | 0 | 0 | 113.4 | M615 F679 V680 D682 C683 W687 F688 R689 F731 F744 | M615-L685 HydrophobicContact CB-CD2 4.06Å; M615-L685 HydrophobicContact CE-CD2 3.95Å; M615-L685 HydrophobicContact CG-CD2 4.47Å; F679-L685 HydrophobicContact CB-CD1 4.05Å; F679-L685 HydrophobicContact CD1-CD1 4.35Å; F679-L685 HydrophobicContact CG-CD1 4.4Å; V680-L685 VanDerWaalsContact O-CD1 3.3Å; V680-L685 WeakPolarHBondContact O-CD1 3.14Å; D682-L685 PolarHBondContact O-N 3.26Å; C683-L685 PolarHBondContact O-N 3.35Å; L685-W687 VanDerWaalsContact C-N 3.34Å; L685-W687 PolarHBondContact O-N 2.93Å; L685-F688 WeakPolarHBondContact O-CB 3.25Å; L685-F688 PolarHBondContact O-N 3.1Å; L685-R689 PolarHBondContact O-N 2.89Å; L685-F731 HydrophobicContact CD1-CZ 4.14Å; L685-F744 HydrophobicContact CB-CE2 4.15Å |
| 686 | A | 92.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C683 F688 R689 Y690 P749 L752 Y753 | C683-A686 WeakPolarHBondContact O-CB 3.4Å; C683-A686 PolarHBondContact O-N 3.22Å; A686-F688 VanDerWaalsContact C-N 3.28Å; A686-F688 PolarHBondContact O-N 3.29Å; A686-R689 PolarHBondContact O-N 3.16Å; A686-Y690 WeakPolarHBondContact O-CB 3.33Å; A686-Y690 PolarHBondContact O-N 2.66Å; A686-P749 HydrophobicContact CB-CB 4.45Å; A686-L752 HydrophobicContact CB-CB 3.82Å; A686-L752 HydrophobicContact CB-CD1 4.42Å; A686-Y753 HydrophobicContact CB-CD2 3.99Å; A686-Y753 HydrophobicContact CB-CE1 4.07Å; A686-Y753 HydrophobicContact CB-CE2 3.41Å; A686-Y753 VanDerWaalsContact CB-CE2 3.41Å; A686-Y753 HydrophobicContact CB-CG 4.47Å; A686-Y753 VanDerWaalsContact CB-CZ 3.41Å; A686-Y753 WeakPolarHBondContact CB-OH 3.3Å |
| 687 | W | 91.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60 | -37.7 | 172.5 | 78.9 | -92.7 | 0 | 0 | 0 | 112 | M615 R617 F628 I632 R684 L685 Y690 F691 L777 | M615-W687 HydrophobicContact CB-CZ2 4.02Å; M615-W687 WeakPolarHBondContact O-CZ2 3.38Å; M615-W687 PolarHBondContact O-NE1 2.93Å; R617-W687 HydrophobicContact CB-CD2 3.69Å; R617-W687 HydrophobicContact CB-CE3 4.16Å; R617-W687 HydrophobicContact CB-CG 4.1Å; R617-W687 HydrophobicContact CB-CH2 4.31Å; R617-W687 HydrophobicContact CB-CZ2 3.85Å; R617-W687 HydrophobicContact CB-CZ3 4.45Å; R617-W687 HydrophobicContact CG-CD2 3.67Å; R617-W687 HydrophobicContact CG-CE3 3.66Å; R617-W687 HydrophobicContact CG-CG 4.23Å; R617-W687 HydrophobicContact CG-CH2 4.26Å; R617-W687 HydrophobicContact CG-CZ2 4.27Å; R617-W687 HydrophobicContact CG-CZ3 3.97Å; F628-W687 HydrophobicContact CD1-CH2 4.03Å; F628-W687 HydrophobicContact CD1-CZ2 4.23Å; F628-W687 HydrophobicContact CE1-CH2 4.26Å; F628-W687 HydrophobicContact CE1-CZ2 4.5Å; I632-W687 HydrophobicContact CD1-CH2 3.85Å; I632-W687 HydrophobicContact CD1-CZ3 4.24Å; R684-W687 PolarHBondContact O-NE1 2.66Å; L685-W687 VanDerWaalsContact C-N 3.34Å; L685-W687 PolarHBondContact O-N 2.93Å; W687-Y690 PolarHBondContact O-N 2.86Å; W687-F691 HydrophobicContact CE3-CB 4.36Å; W687-F691 HydrophobicContact CZ3-CB 4.34Å; W687-F691 WeakPolarHBondContact O-CB 3.44Å; W687-F691 PolarHBondContact O-N 3.11Å; W687-L777 HydrophobicContact CB-CD1 3.83Å |
| 688 | F | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -73.9 | -38.7 | -179.1 | -177.6 | -107.3 | 0 | 0 | 0 | 110.7 | M615 L672 I674 L685 A686 Y690 F691 I692 I729 F744 | M615-F688 HydrophobicContact CE-CB 4.41Å; M615-F688 HydrophobicContact CE-CD1 3.45Å; M615-F688 VanDerWaalsContact CE-CD1 3.45Å; M615-F688 HydrophobicContact CE-CD2 4.09Å; M615-F688 HydrophobicContact CE-CE1 3.63Å; M615-F688 HydrophobicContact CE-CE2 4.23Å; M615-F688 HydrophobicContact CE-CG 3.7Å; M615-F688 HydrophobicContact CE-CZ 4.02Å; L672-F688 HydrophobicContact CD2-CE2 3.63Å; L672-F688 HydrophobicContact CD2-CZ 3.69Å; I674-F688 HydrophobicContact CD1-CE1 3.59Å; I674-F688 HydrophobicContact CD1-CZ 3.77Å; L685-F688 WeakPolarHBondContact O-CB 3.25Å; L685-F688 PolarHBondContact O-N 3.1Å; A686-F688 VanDerWaalsContact C-N 3.28Å; A686-F688 PolarHBondContact O-N 3.29Å; F688-Y690 VanDerWaalsContact C-N 3.26Å; F688-Y690 PolarHBondContact O-N 3.22Å; F688-F691 HydrophobicContact CD2-CD1 4.16Å; F688-F691 HydrophobicContact CE2-CD1 4.07Å; F688-F691 WeakPolarHBondContact O-CB 3.33Å; F688-F691 PolarHBondContact O-N 3.45Å; F688-I692 HydrophobicContact CD1-CG1 4.38Å; F688-I692 HydrophobicContact CE1-CD1 4.35Å; F688-I692 HydrophobicContact CE1-CG1 3.9Å; F688-I692 HydrophobicContact CE2-CD1 4.2Å; F688-I692 HydrophobicContact CE2-CG1 4.23Å; F688-I692 HydrophobicContact CZ-CD1 3.82Å; F688-I692 HydrophobicContact CZ-CG1 3.83Å; F688-I692 WeakPolarHBondContact O-CG1 3.28Å; F688-I692 PolarHBondContact O-N 2.86Å; F688-I729 HydrophobicContact CE1-CG2 4.36Å; F688-I729 HydrophobicContact CZ-CD1 4.42Å; F688-F744 AromaticContact CD1-CE1 3.67Å; F688-F744 HydrophobicContact CD1-CE1 3.67Å; F688-F744 AromaticContact CD1-CZ 3.63Å; F688-F744 HydrophobicContact CD1-CZ 3.63Å; F688-F744 AromaticContact CE1-CE1 3.87Å; F688-F744 HydrophobicContact CE1-CE1 3.87Å; F688-F744 HydrophobicContact CE1-CZ 4.3Å |
| 689 | R | 93.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 11% | 0.106 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 172.9 | -168.7 | 65.9 | -168.5 | 84.1 | -0.1 | 111.6 | L685 A686 N693 F744 L745 L747 P749 L752 | L685-R689 PolarHBondContact O-N 2.89Å; A686-R689 PolarHBondContact O-N 3.16Å; R689-N693 VanDerWaalsContact NH1-CG 3.3Å; R689-N693 PolarHBondContact NH1-OD1 2.96Å; R689-N693 PolarHBondContact O-N 2.95Å; R689-N693 VanDerWaalsContact O-N 3.16Å; R689-N693 PolarHBondContact O-ND2 2.94Å; R689-F744 HydrophobicContact CB-CE1 4.4Å; R689-F744 HydrophobicContact CB-CE2 4.1Å; R689-F744 HydrophobicContact CB-CZ 3.61Å; R689-F744 HydrophobicContact CG-CZ 4.18Å; R689-F744 PolarHBondContact NE-O 3.06Å; R689-L745 PolarHBondContact NH2-O 3.26Å; R689-L747 WeakPolarHBondContact CD-O 3.31Å; R689-L747 PolarHBondContact NE-O 2.78Å; R689-P749 HydrophobicContact CB-CG 4.33Å; R689-P749 HydrophobicContact CG-CG 4.22Å; R689-L752 HydrophobicContact CB-CD1 3.66Å; R689-L752 HydrophobicContact CG-CD1 4.11Å |
| 690 | Y | 90.6 | Very high | 89.8 | Confident | 59 Ų | 59 | 32 Ų | 32 | 23% | 0.231 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.1 | -43.2 | 172.4 | 178.3 | -96.2 | 0 | 0 | 0 | 112.7 | A686 W687 F688 I692 N693 Q694 L774 | A686-Y690 WeakPolarHBondContact O-CB 3.33Å; A686-Y690 PolarHBondContact O-N 2.66Å; W687-Y690 PolarHBondContact O-N 2.86Å; F688-Y690 VanDerWaalsContact C-N 3.26Å; F688-Y690 PolarHBondContact O-N 3.22Å; Y690-I692 PolarHBondContact O-N 3.2Å; Y690-N693 WeakPolarHBondContact O-CB 3.38Å; Y690-N693 PolarHBondContact O-N 3.37Å; Y690-N693 VanDerWaalsContact O-N 3.14Å; Y690-Q694 HydrophobicContact CD1-CG 4.24Å; Y690-Q694 HydrophobicContact CE1-CG 3.91Å; Y690-Q694 HydrophobicContact CE2-CG 4.47Å; Y690-Q694 VanDerWaalsContact CZ-NE2 3.28Å; Y690-Q694 WeakPolarHBondContact O-CG 3.15Å; Y690-Q694 PolarHBondContact O-N 3.15Å; Y690-Q694 PolarHBondContact OH-NE2 3.33Å; Y690-L774 HydrophobicContact CD1-CG 4.45Å; Y690-L774 HydrophobicContact CD2-CD2 3.74Å; Y690-L774 HydrophobicContact CD2-CG 4.11Å; Y690-L774 HydrophobicContact CG-CD2 3.82Å; Y690-L774 HydrophobicContact CG-CG 4.04Å |
| 691 | F | 89.4 | Confident | 89.1 | Confident | 40 Ų | 40 | 37.1 Ų | 37.1 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.4 | -48.6 | 173.9 | 171.6 | -98.7 | 0 | 0 | 0 | 111.9 | I632 L634 W687 F688 N693 Q694 M695 | I632-F691 HydrophobicContact CB-CZ 4.43Å; I632-F691 HydrophobicContact CG2-CE1 3.62Å; I632-F691 HydrophobicContact CG2-CZ 3.6Å; L634-F691 HydrophobicContact CD2-CE2 4.27Å; L634-F691 HydrophobicContact CD2-CZ 4.41Å; W687-F691 HydrophobicContact CE3-CB 4.36Å; W687-F691 HydrophobicContact CZ3-CB 4.34Å; W687-F691 WeakPolarHBondContact O-CB 3.44Å; W687-F691 PolarHBondContact O-N 3.11Å; F688-F691 HydrophobicContact CD2-CD1 4.16Å; F688-F691 HydrophobicContact CE2-CD1 4.07Å; F688-F691 WeakPolarHBondContact O-CB 3.33Å; F688-F691 PolarHBondContact O-N 3.45Å; F691-N693 VanDerWaalsContact C-N 3.31Å; F691-N693 PolarHBondContact O-N 2.94Å; F691-Q694 PolarHBondContact O-N 3.5Å; F691-Q694 VanDerWaalsContact O-N 3.07Å; F691-M695 HydrophobicContact CE1-CE 3.58Å; F691-M695 HydrophobicContact CZ-CE 3.75Å; F691-M695 PolarHBondContact O-N 3.19Å |
| 692 | I | 91.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -37.7 | 175.4 | -64.9 | -63.4 | 0 | 0 | 0 | 111.9 | F688 Y690 Q694 M695 S696 L725 I729 L745 | F688-I692 HydrophobicContact CD1-CG1 4.38Å; F688-I692 HydrophobicContact CE1-CD1 4.35Å; F688-I692 HydrophobicContact CE1-CG1 3.9Å; F688-I692 HydrophobicContact CE2-CD1 4.2Å; F688-I692 HydrophobicContact CE2-CG1 4.23Å; F688-I692 HydrophobicContact CZ-CD1 3.82Å; F688-I692 HydrophobicContact CZ-CG1 3.83Å; F688-I692 WeakPolarHBondContact O-CG1 3.28Å; F688-I692 PolarHBondContact O-N 2.86Å; Y690-I692 PolarHBondContact O-N 3.2Å; I692-Q694 VanDerWaalsContact C-N 3.35Å; I692-Q694 PolarHBondContact O-N 3.13Å; I692-M695 HydrophobicContact CD1-SD 4.4Å; I692-M695 PolarHBondContact O-N 2.94Å; I692-S696 WeakPolarHBondContact O-CB 3.48Å; I692-S696 PolarHBondContact O-N 2.84Å; I692-S696 PolarHBondContact O-OG 3Å; I692-L725 HydrophobicContact CG2-CD2 3.81Å; I692-I729 HydrophobicContact CD1-CD1 4.14Å; I692-I729 HydrophobicContact CD1-CG1 4.35Å; I692-I729 HydrophobicContact CD1-CG2 4.05Å; I692-I729 HydrophobicContact CG1-CG2 4.14Å; I692-L745 HydrophobicContact CG2-CD2 4.18Å |
| 693 | N | 89.5 | Confident | 87 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 173.5 | -79.2 | -21 | 0 | 0 | 0 | 112.7 | R689 Y690 F691 K697 | R689-N693 VanDerWaalsContact NH1-CG 3.3Å; R689-N693 PolarHBondContact NH1-OD1 2.96Å; R689-N693 PolarHBondContact O-N 2.95Å; R689-N693 VanDerWaalsContact O-N 3.16Å; R689-N693 PolarHBondContact O-ND2 2.94Å; Y690-N693 WeakPolarHBondContact O-CB 3.38Å; Y690-N693 PolarHBondContact O-N 3.37Å; Y690-N693 VanDerWaalsContact O-N 3.14Å; F691-N693 VanDerWaalsContact C-N 3.31Å; F691-N693 PolarHBondContact O-N 2.94Å; N693-K697 WeakPolarHBondContact O-CB 3.5Å; N693-K697 VanDerWaalsContact O-CG 3.27Å; N693-K697 WeakPolarHBondContact O-CG 3.46Å; N693-K697 PolarHBondContact O-N 3.46Å; N693-K697 VanDerWaalsContact O-N 3.08Å |
| 694 | Q | 85.5 | Confident | 85.8 | Confident | 59 Ų | 59 | 45.8 Ų | 45.8 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -74.9 | -39.7 | 175.9 | -64.9 | -65 | 4.3 | 0 | 0 | 112.1 | Y690 F691 I692 S696 K697 Q698 | Y690-Q694 HydrophobicContact CD1-CG 4.24Å; Y690-Q694 HydrophobicContact CE1-CG 3.91Å; Y690-Q694 HydrophobicContact CE2-CG 4.47Å; Y690-Q694 VanDerWaalsContact CZ-NE2 3.28Å; Y690-Q694 WeakPolarHBondContact O-CG 3.15Å; Y690-Q694 PolarHBondContact O-N 3.15Å; Y690-Q694 PolarHBondContact OH-NE2 3.33Å; F691-Q694 PolarHBondContact O-N 3.5Å; F691-Q694 VanDerWaalsContact O-N 3.07Å; I692-Q694 VanDerWaalsContact C-N 3.35Å; I692-Q694 PolarHBondContact O-N 3.13Å; Q694-S696 VanDerWaalsContact C-N 3.34Å; Q694-S696 PolarHBondContact O-N 3.03Å; Q694-K697 PolarHBondContact O-N 3.09Å; Q694-Q698 WeakPolarHBondContact O-CB 3.09Å; Q694-Q698 WeakPolarHBondContact O-CG 3.48Å; Q694-Q698 PolarHBondContact O-N 2.8Å |
| 695 | M | 85.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 50.9 Ų | 50.9 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.7 | -48.5 | 170.6 | 180 | -172 | -76.6 | 0 | 0 | 110.7 | P633 L634 P636 F691 I692 K697 Q698 F699 F721 Y724 | P633-M695 WeakPolarHBondContact O-CE 3.47Å; L634-M695 WeakPolarHBondContact O-CE 3.08Å; P636-M695 HydrophobicContact CG-SD 4.08Å; F691-M695 HydrophobicContact CE1-CE 3.58Å; F691-M695 HydrophobicContact CZ-CE 3.75Å; F691-M695 PolarHBondContact O-N 3.19Å; I692-M695 HydrophobicContact CD1-SD 4.4Å; I692-M695 PolarHBondContact O-N 2.94Å; M695-K697 PolarHBondContact O-N 2.99Å; M695-Q698 PolarHBondContact O-N 3.14Å; M695-F699 WeakPolarHBondContact O-CB 3.3Å; M695-F699 PolarHBondContact O-N 3.43Å; M695-F721 HydrophobicContact CG-CE2 4.26Å; M695-F721 HydrophobicContact CG-CZ 4.21Å; M695-F721 HydrophobicContact SD-CE2 4.31Å; M695-F721 HydrophobicContact SD-CZ 4.43Å; M695-Y724 HydrophobicContact SD-CE1 4.38Å |
| 696 | S | 86.5 | Confident | 83 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | I692 Q694 F699 I700 F721 | I692-S696 WeakPolarHBondContact O-CB 3.48Å; I692-S696 PolarHBondContact O-N 2.84Å; I692-S696 PolarHBondContact O-OG 3Å; Q694-S696 VanDerWaalsContact C-N 3.34Å; Q694-S696 PolarHBondContact O-N 3.03Å; S696-F699 PolarHBondContact O-N 2.97Å; S696-I700 WeakPolarHBondContact O-CD1 3.26Å; S696-I700 VanDerWaalsContact O-CG1 3.25Å; S696-I700 WeakPolarHBondContact O-CG1 3.4Å; S696-I700 PolarHBondContact O-N 2.92Å; S696-F721 WeakPolarHBondContact OG-CE1 3.41Å |
| 697 | K | 86.1 | Confident | 81.5 | Confident | 122 Ų | 122 | 65 Ų | 65 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 176.5 | -77.2 | 172.8 | 178.4 | -177.1 | 0 | 113.2 | N693 Q694 M695 K701 | N693-K697 WeakPolarHBondContact O-CB 3.5Å; N693-K697 VanDerWaalsContact O-CG 3.27Å; N693-K697 WeakPolarHBondContact O-CG 3.46Å; N693-K697 PolarHBondContact O-N 3.46Å; N693-K697 VanDerWaalsContact O-N 3.08Å; Q694-K697 PolarHBondContact O-N 3.09Å; M695-K697 PolarHBondContact O-N 2.99Å; K697-K701 VanDerWaalsContact O-CG 3.29Å; K697-K701 WeakPolarHBondContact O-CG 3.48Å; K697-K701 PolarHBondContact O-N 2.91Å |
| 698 | Q | 82.4 | Confident | 79.7 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 59% | 0.589 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.6 | -46.6 | 175.2 | -75.5 | 175.9 | -13.5 | 0 | 0 | 110.3 | Q694 M695 I700 K701 S702 | Q694-Q698 WeakPolarHBondContact O-CB 3.09Å; Q694-Q698 WeakPolarHBondContact O-CG 3.48Å; Q694-Q698 PolarHBondContact O-N 2.8Å; M695-Q698 PolarHBondContact O-N 3.14Å; Q698-I700 PolarHBondContact O-N 2.67Å; Q698-K701 WeakPolarHBondContact O-CB 3.24Å; Q698-K701 PolarHBondContact O-N 3.11Å; Q698-K701 VanDerWaalsContact O-N 3.1Å; Q698-S702 PolarHBondContact O-N 3.43Å; Q698-S702 PolarHBondContact O-OG 3.02Å |
| 699 | F | 80.1 | Confident | 77.7 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | -177.8 | -169 | -100.4 | 0 | 0 | 0 | 113 | W638 M695 S696 K701 S702 E703 P718 F721 | W638-F699 HydrophobicContact CH2-CD1 4.24Å; W638-F699 HydrophobicContact CH2-CD2 4.21Å; W638-F699 AromaticContact CH2-CE1 3.61Å; W638-F699 HydrophobicContact CH2-CE1 3.61Å; W638-F699 AromaticContact CH2-CE2 3.58Å; W638-F699 HydrophobicContact CH2-CE2 3.58Å; W638-F699 AromaticContact CH2-CZ 3.27Å; W638-F699 HydrophobicContact CH2-CZ 3.27Å; W638-F699 AromaticContact CZ2-CE1 3.79Å; W638-F699 HydrophobicContact CZ2-CE1 3.79Å; W638-F699 HydrophobicContact CZ2-CE2 4.11Å; W638-F699 AromaticContact CZ2-CZ 3.41Å; W638-F699 HydrophobicContact CZ2-CZ 3.41Å; W638-F699 VanDerWaalsContact CZ2-CZ 3.41Å; M695-F699 WeakPolarHBondContact O-CB 3.3Å; M695-F699 PolarHBondContact O-N 3.43Å; S696-F699 PolarHBondContact O-N 2.97Å; F699-K701 VanDerWaalsContact C-N 3.28Å; F699-K701 PolarHBondContact O-N 3.45Å; F699-S702 WeakPolarHBondContact CA-OG 3.49Å; F699-S702 PolarHBondContact O-N 2.85Å; F699-S702 PolarHBondContact O-OG 3.4Å; F699-E703 PolarHBondContact O-N 3.32Å; F699-E703 VanDerWaalsContact O-N 3.12Å; F699-P718 HydrophobicContact CE1-CB 4.43Å; F699-P718 HydrophobicContact CE1-CG 3.97Å; F699-F721 HydrophobicContact CB-CE2 4.24Å; F699-F721 HydrophobicContact CB-CZ 4.42Å; F699-F721 HydrophobicContact CD1-CB 4.17Å; F699-F721 HydrophobicContact CD1-CD1 4.47Å; F699-F721 AromaticContact CD1-CD2 3.96Å; F699-F721 HydrophobicContact CD1-CD2 3.96Å; F699-F721 HydrophobicContact CD1-CE2 4.47Å; F699-F721 AromaticContact CD1-CG 3.96Å; F699-F721 HydrophobicContact CD1-CG 3.96Å; F699-F721 HydrophobicContact CE1-CB 4.14Å; F699-F721 HydrophobicContact CE1-CD2 4.49Å; F699-F721 HydrophobicContact CE1-CG 4.41Å; F699-F721 HydrophobicContact CG-CD2 4.1Å; F699-F721 HydrophobicContact CG-CE2 4.25Å |
| 700 | I | 79.5 | Confident | 75.6 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 28% | 0.277 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 173.9 | -67.5 | 163.9 | 0 | 0 | 0 | 110.9 | S696 Q698 Q704 I717 | S696-I700 WeakPolarHBondContact O-CD1 3.26Å; S696-I700 VanDerWaalsContact O-CG1 3.25Å; S696-I700 WeakPolarHBondContact O-CG1 3.4Å; S696-I700 PolarHBondContact O-N 2.92Å; Q698-I700 PolarHBondContact O-N 2.67Å; I700-Q704 HydrophobicContact CG2-CG 4.41Å; I700-Q704 WeakPolarHBondContact O-CB 3.24Å; I700-Q704 VanDerWaalsContact O-CG 3.24Å; I700-Q704 WeakPolarHBondContact O-CG 3.37Å; I700-Q704 PolarHBondContact O-N 2.9Å; I700-I717 HydrophobicContact CD1-CG1 4.21Å |
| 701 | K | 81.1 | Confident | 73.4 | Confident | 139 Ų | 139 | 95.8 Ų | 95.8 | 60% | 0.604 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.8 | -41.1 | 177.8 | -76.4 | 178 | 176.7 | -169.8 | 0 | 113 | K697 Q698 F699 E703 Q704 L705 | K697-K701 VanDerWaalsContact O-CG 3.29Å; K697-K701 WeakPolarHBondContact O-CG 3.48Å; K697-K701 PolarHBondContact O-N 2.91Å; Q698-K701 WeakPolarHBondContact O-CB 3.24Å; Q698-K701 PolarHBondContact O-N 3.11Å; Q698-K701 VanDerWaalsContact O-N 3.1Å; F699-K701 VanDerWaalsContact C-N 3.28Å; F699-K701 PolarHBondContact O-N 3.45Å; K701-E703 VanDerWaalsContact C-N 3.32Å; K701-E703 PolarHBondContact O-N 3.26Å; K701-Q704 PolarHBondContact O-N 2.73Å; K701-L705 WeakPolarHBondContact O-CB 3.39Å; K701-L705 VanDerWaalsContact O-CG 3.31Å; K701-L705 WeakPolarHBondContact O-CG 3.22Å; K701-L705 PolarHBondContact O-N 3.19Å |
| 702 | S | 76 | Confident | 71.1 | Confident | 49 Ų | 49 | 100.5 Ų | 100.5 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 177.8 | 42 | 0 | 0 | 0 | 0 | 112.2 | Q698 F699 Q706 | Q698-S702 PolarHBondContact O-N 3.43Å; Q698-S702 PolarHBondContact O-OG 3.02Å; F699-S702 WeakPolarHBondContact CA-OG 3.49Å; F699-S702 PolarHBondContact O-N 2.85Å; F699-S702 PolarHBondContact O-OG 3.4Å; S702-Q706 WeakPolarHBondContact O-CG 3.49Å; S702-Q706 PolarHBondContact O-N 2.92Å |
| 703 | E | 70.8 | Confident | 68.8 | Low | 40 Ų | 40 | 106.2 Ų | 106.2 | 19% | 0.187 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 176.6 | -166.9 | -167.8 | -162.4 | 0 | 0 | 112.1 | F699 K701 L705 Q706 K707 P718 | F699-E703 PolarHBondContact O-N 3.32Å; F699-E703 VanDerWaalsContact O-N 3.12Å; K701-E703 VanDerWaalsContact C-N 3.32Å; K701-E703 PolarHBondContact O-N 3.26Å; E703-L705 PolarHBondContact O-N 2.84Å; E703-Q706 WeakPolarHBondContact O-CA 3.39Å; E703-Q706 WeakPolarHBondContact O-CB 3.17Å; E703-Q706 PolarHBondContact O-N 2.92Å; E703-K707 HydrophobicContact CG-CD 4.09Å; E703-K707 PolarHBondContact O-N 2.82Å; E703-K707 VanDerWaalsContact O-N 3.13Å; E703-K707 WeakPolarHBondContact OE1-CE 3.28Å; E703-K707 IonicContact OE1-NZ 3.45Å; E703-K707 PolarHBondContact OE1-NZ 2.59Å; E703-P718 WeakPolarHBondContact OE1-CG 3.47Å; E703-P718 WeakPolarHBondContact OE2-CD 3.45Å; E703-P718 WeakPolarHBondContact OE2-CG 3.36Å |
| 704 | Q | 68.4 | Low | 66.8 | Low | 101 Ų | 101 | 108.6 Ų | 108.6 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -34.8 | 174.5 | -77.7 | 176.2 | -17.5 | 0 | 0 | 112.5 | I700 K701 Q706 K707 | I700-Q704 HydrophobicContact CG2-CG 4.41Å; I700-Q704 WeakPolarHBondContact O-CB 3.24Å; I700-Q704 VanDerWaalsContact O-CG 3.24Å; I700-Q704 WeakPolarHBondContact O-CG 3.37Å; I700-Q704 PolarHBondContact O-N 2.9Å; K701-Q704 PolarHBondContact O-N 2.73Å; Q704-Q706 VanDerWaalsContact C-N 3.29Å; Q704-Q706 PolarHBondContact O-N 3.06Å; Q704-K707 PolarHBondContact O-N 3.08Å |
| 705 | L | 65.7 | Low | 65.4 | Low | 123 Ų | 123 | 112.3 Ų | 112.3 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -17.1 | 173.7 | -73.5 | 167 | 0 | 0 | 0 | 113.8 | K701 E703 | K701-L705 WeakPolarHBondContact O-CB 3.39Å; K701-L705 VanDerWaalsContact O-CG 3.31Å; K701-L705 WeakPolarHBondContact O-CG 3.22Å; K701-L705 PolarHBondContact O-N 3.19Å; E703-L705 PolarHBondContact O-N 2.84Å |
| 706 | Q | 64 | Low | 64.5 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -18.6 | 174.8 | -72.1 | 175.3 | -4.8 | 0 | 0 | 113.2 | S702 E703 Q704 | S702-Q706 WeakPolarHBondContact O-CG 3.49Å; S702-Q706 PolarHBondContact O-N 2.92Å; E703-Q706 WeakPolarHBondContact O-CA 3.39Å; E703-Q706 WeakPolarHBondContact O-CB 3.17Å; E703-Q706 PolarHBondContact O-N 2.92Å; Q704-Q706 VanDerWaalsContact C-N 3.29Å; Q704-Q706 PolarHBondContact O-N 3.06Å |
| 707 | K | 61.5 | Low | 63.7 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | trans | -111.9 | 27.2 | -173.1 | -68.6 | -177.8 | 173.4 | 174 | 0 | 114.1 | E703 Q704 E709 | E703-K707 HydrophobicContact CG-CD 4.09Å; E703-K707 PolarHBondContact O-N 2.82Å; E703-K707 VanDerWaalsContact O-N 3.13Å; E703-K707 WeakPolarHBondContact OE1-CE 3.28Å; E703-K707 IonicContact OE1-NZ 3.45Å; E703-K707 PolarHBondContact OE1-NZ 2.59Å; Q704-K707 PolarHBondContact O-N 3.08Å; K707-E709 PolarHBondContact O-N 2.95Å | ||
| 708 | Q | 52.6 | Low | 63.1 | Low | 158 Ų | 158 | 115 Ų | 115 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 13.9 | -169.5 | -112.5 | -179.8 | -3.7 | 0 | 0 | 116.6 | ||
| 709 | E | 51.7 | Low | 62.8 | Low | 196 Ų | 196 | 115.8 Ų | 115.8 | 92% | 0.916 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | -4.1 | -179.4 | -65.8 | -170 | 144.7 | 0 | 0 | 115.1 | K707 | K707-E709 PolarHBondContact O-N 2.95Š|
| 710 | E | 49.1 | Very low | 62.6 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 83% | 0.827 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -126.2 | 153.7 | 173.6 | -74.6 | -165.4 | 131.4 | 0 | 0 | 113.6 | ||
| 711 | F | 44.5 | Very low | 62.8 | Low | 207 Ų | 207 | 111 Ų | 111 | 91% | 0.908 | 56% | 0.555 | S | S | * | * | trans | -72.5 | 135.4 | -159.5 | -120.1 | -106 | 0 | 0 | 0 | 114.7 | T713 | F711-T713 PolarHBondContact O-N 3.2Š| ||
| 712 | I | 42.3 | Very low | 62.9 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | trans | -89.6 | 107.5 | -173.2 | -56.8 | 169.3 | 0 | 0 | 0 | 111.7 | ||||
| 713 | T | 41.6 | Very low | 63.3 | Low | 121 Ų | 121 | 106.5 Ų | 106.5 | 74% | 0.742 | 53% | 0.53 | S | S | * | . | trans | -143.2 | 48.9 | 165.5 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | F711 | F711-T713 PolarHBondContact O-N 3.2Š| ||
| 714 | T | 49 | Very low | 64.1 | Low | 102 Ų | 102 | 104.7 Ų | 104.7 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | trans | -171.2 | 145.2 | 149 | 11.7 | 0 | 0 | 0 | 0 | 111.5 | N716 | T714-N716 WeakPolarHBondContact CB-ND2 3.38Å; T714-N716 PolarHBondContact O-N 2.65Å; T714-N716 PolarHBondContact OG1-ND2 3Å | ||
| 715 | T | 55.8 | Low | 65.2 | Low | 137 Ų | 137 | 100.4 Ų | 100.4 | 84% | 0.84 | 50% | 0.501 | S | S | * | . | trans | -84 | 47.5 | 174.6 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | I717 | T715-I717 PolarHBondContact O-N 3.06Š| ||
| 716 | N | 64.9 | Low | 66.3 | Low | 116 Ų | 116 | 98.5 Ų | 98.5 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | trans | -83 | 111 | -172.3 | -72.7 | -12.1 | 0 | 0 | 0 | 110.8 | T714 | T714-N716 WeakPolarHBondContact CB-ND2 3.38Å; T714-N716 PolarHBondContact O-N 2.65Å; T714-N716 PolarHBondContact OG1-ND2 3Å | ||
| 717 | I | 70.7 | Confident | 67.5 | Low | 59 Ų | 59 | 94.1 Ų | 94.1 | 30% | 0.303 | 47% | 0.471 | S | S | . | . | trans | -57.8 | 132.3 | 168 | -63.5 | 174.6 | 0 | 0 | 0 | 108.7 | I700 T715 F719 F721 Q722 | I700-I717 HydrophobicContact CD1-CG1 4.21Å; T715-I717 PolarHBondContact O-N 3.06Å; I717-F719 PolarHBondContact O-N 2.83Å; I717-F721 HydrophobicContact CG2-CB 4.18Å; I717-F721 HydrophobicContact CG2-CD1 3.62Å; I717-F721 HydrophobicContact CG2-CG 4.38Å; I717-Q722 HydrophobicContact CG2-CB 4.13Å | ||
| 718 | P | 73.7 | Confident | 68.9 | Low | 24 Ų | 24 | 87.8 Ų | 87.8 | 16% | 0.156 | 44% | 0.444 | C | S | . | . | trans | -55.4 | 137 | 178.3 | -33.7 | 41.4 | 0 | 0 | 0 | 113.1 | F699 E703 G720 F721 Q722 | F699-P718 HydrophobicContact CE1-CB 4.43Å; F699-P718 HydrophobicContact CE1-CG 3.97Å; E703-P718 WeakPolarHBondContact OE1-CG 3.47Å; E703-P718 WeakPolarHBondContact OE2-CD 3.45Å; E703-P718 WeakPolarHBondContact OE2-CG 3.36Å; P718-G720 PolarHBondContact O-N 2.94Å; P718-G720 VanDerWaalsContact O-N 3.09Å; P718-F721 PolarHBondContact O-N 3.32Å; P718-Q722 PolarHBondContact O-N 3.32Å | ||
| 719 | F | 75.2 | Confident | 70.9 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 63% | 0.627 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.5 | -36.5 | -175.2 | -178.4 | -118.9 | 0 | 0 | 0 | 112.9 | I666 I717 Q722 K723 | I666-F719 HydrophobicContact CD1-CD1 3.67Å; I666-F719 HydrophobicContact CD1-CE1 4.39Å; I666-F719 HydrophobicContact CG1-CD1 4.43Å; I717-F719 PolarHBondContact O-N 2.83Å; F719-Q722 PolarHBondContact O-N 3.29Å; F719-K723 VanDerWaalsContact O-CB 3.26Å; F719-K723 WeakPolarHBondContact O-CB 3.38Å; F719-K723 PolarHBondContact O-N 3.14Å |
| 720 | G | 76.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P718 K723 Y724 | P718-G720 PolarHBondContact O-N 2.94Å; P718-G720 VanDerWaalsContact O-N 3.09Å; G720-K723 PolarHBondContact O-N 3.23Å; G720-Y724 WeakPolarHBondContact O-CB 3.46Å; G720-Y724 PolarHBondContact O-N 3.23Å |
| 721 | F | 83.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 175.5 | -171.1 | -100 | 0 | 0 | 0 | 111.4 | P636 W638 M695 S696 F699 I717 P718 Y724 L725 | P636-F721 HydrophobicContact CG-CD2 4.11Å; P636-F721 HydrophobicContact CG-CE2 3.86Å; W638-F721 HydrophobicContact CH2-CB 3.64Å; W638-F721 AromaticContact CH2-CD2 3.68Å; W638-F721 HydrophobicContact CH2-CD2 3.68Å; W638-F721 HydrophobicContact CH2-CG 4.13Å; W638-F721 HydrophobicContact CZ2-CB 4Å; W638-F721 HydrophobicContact CZ3-CB 4.16Å; W638-F721 AromaticContact CZ3-CD2 3.74Å; W638-F721 HydrophobicContact CZ3-CD2 3.74Å; W638-F721 HydrophobicContact CZ3-CG 4.45Å; M695-F721 HydrophobicContact CG-CE2 4.26Å; M695-F721 HydrophobicContact CG-CZ 4.21Å; M695-F721 HydrophobicContact SD-CE2 4.31Å; M695-F721 HydrophobicContact SD-CZ 4.43Å; S696-F721 WeakPolarHBondContact OG-CE1 3.41Å; F699-F721 HydrophobicContact CB-CE2 4.24Å; F699-F721 HydrophobicContact CB-CZ 4.42Å; F699-F721 HydrophobicContact CD1-CB 4.17Å; F699-F721 HydrophobicContact CD1-CD1 4.47Å; F699-F721 AromaticContact CD1-CD2 3.96Å; F699-F721 HydrophobicContact CD1-CD2 3.96Å; F699-F721 HydrophobicContact CD1-CE2 4.47Å; F699-F721 AromaticContact CD1-CG 3.96Å; F699-F721 HydrophobicContact CD1-CG 3.96Å; F699-F721 HydrophobicContact CE1-CB 4.14Å; F699-F721 HydrophobicContact CE1-CD2 4.49Å; F699-F721 HydrophobicContact CE1-CG 4.41Å; F699-F721 HydrophobicContact CG-CD2 4.1Å; F699-F721 HydrophobicContact CG-CE2 4.25Å; I717-F721 HydrophobicContact CG2-CB 4.18Å; I717-F721 HydrophobicContact CG2-CD1 3.62Å; I717-F721 HydrophobicContact CG2-CG 4.38Å; P718-F721 PolarHBondContact O-N 3.32Å; F721-Y724 HydrophobicContact CD2-CD1 4.41Å; F721-Y724 HydrophobicContact CE2-CD1 4.44Å; F721-Y724 PolarHBondContact O-N 3.43Å; F721-L725 HydrophobicContact CD1-CD1 3.87Å; F721-L725 HydrophobicContact CD1-CG 4.12Å; F721-L725 HydrophobicContact CE1-CD1 3.58Å; F721-L725 HydrophobicContact CE1-CD2 4.3Å; F721-L725 HydrophobicContact CE1-CG 3.89Å; F721-L725 HydrophobicContact CZ-CD1 4.45Å; F721-L725 HydrophobicContact CZ-CD2 4.4Å; F721-L725 HydrophobicContact CZ-CG 4.39Å; F721-L725 WeakPolarHBondContact O-CG 3.24Å; F721-L725 PolarHBondContact O-N 3.13Å |
| 722 | Q | 83.5 | Confident | 77.5 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 175.3 | -172.6 | 59.2 | 64.3 | 0 | 0 | 112 | I717 P718 F719 L725 N726 | I717-Q722 HydrophobicContact CG2-CB 4.13Å; P718-Q722 PolarHBondContact O-N 3.32Å; F719-Q722 PolarHBondContact O-N 3.29Å; Q722-L725 PolarHBondContact O-N 2.87Å; Q722-N726 PolarHBondContact NE2-OD1 3.15Å; Q722-N726 WeakPolarHBondContact O-CB 3.16Å; Q722-N726 PolarHBondContact O-N 2.92Å; Q722-N726 PolarHBondContact O-ND2 2.96Å |
| 723 | K | 84.1 | Confident | 80.1 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 173 | -171.5 | 178.4 | 178.4 | -172.5 | 0 | 110.9 | I666 F719 G720 L725 N726 E727 | I666-K723 HydrophobicContact CB-CD 4.32Å; I666-K723 WeakPolarHBondContact O-CD 3.45Å; I666-K723 WeakPolarHBondContact O-CE 3.47Å; I666-K723 PolarHBondContact O-NZ 2.79Å; F719-K723 VanDerWaalsContact O-CB 3.26Å; F719-K723 WeakPolarHBondContact O-CB 3.38Å; F719-K723 PolarHBondContact O-N 3.14Å; G720-K723 PolarHBondContact O-N 3.23Å; K723-L725 PolarHBondContact O-N 3.07Å; K723-N726 PolarHBondContact O-N 2.68Å; K723-N726 VanDerWaalsContact O-N 3.16Å; K723-E727 WeakPolarHBondContact CE-OE1 3.43Å; K723-E727 WeakPolarHBondContact CE-OE2 3.25Å; K723-E727 VanDerWaalsContact CG-CD 3.49Å; K723-E727 HydrophobicContact CG-CG 4.18Å; K723-E727 WeakPolarHBondContact CG-OE1 3.4Å; K723-E727 WeakPolarHBondContact O-CB 3.47Å; K723-E727 WeakPolarHBondContact O-CG 3.47Å; K723-E727 PolarHBondContact O-N 2.84Å |
| 724 | Y | 88.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 173.2 | 163.9 | -100 | 0 | 0 | 0 | 112.5 | P636 W668 L672 M695 G720 F721 N726 E727 A728 I729 | P636-Y724 HydrophobicContact CB-CD1 3.84Å; P636-Y724 HydrophobicContact CB-CD2 3.93Å; P636-Y724 HydrophobicContact CB-CE1 3.7Å; P636-Y724 HydrophobicContact CB-CE2 3.78Å; P636-Y724 HydrophobicContact CB-CG 3.95Å; P636-Y724 HydrophobicContact CG-CD1 3.62Å; P636-Y724 HydrophobicContact CG-CE1 3.25Å; P636-Y724 HydrophobicContact CG-CE2 4.26Å; P636-Y724 HydrophobicContact CG-CG 4.25Å; W668-Y724 HydrophobicContact CB-CD2 4.46Å; L672-Y724 PolarHBondContact N-OH 3.42Å; L672-Y724 WeakPolarHBondContact O-CE2 3.15Å; L672-Y724 PolarHBondContact O-OH 3.29Å; M695-Y724 HydrophobicContact SD-CE1 4.38Å; G720-Y724 WeakPolarHBondContact O-CB 3.46Å; G720-Y724 PolarHBondContact O-N 3.23Å; F721-Y724 HydrophobicContact CD2-CD1 4.41Å; F721-Y724 HydrophobicContact CE2-CD1 4.44Å; F721-Y724 PolarHBondContact O-N 3.43Å; Y724-N726 VanDerWaalsContact C-N 3.32Å; Y724-N726 PolarHBondContact O-N 2.93Å; Y724-E727 PolarHBondContact O-N 3.24Å; Y724-A728 HydrophobicContact CD2-CB 3.69Å; Y724-A728 HydrophobicContact CE2-CB 3.77Å; Y724-A728 WeakPolarHBondContact O-CA 3.35Å; Y724-A728 VanDerWaalsContact O-CB 3.28Å; Y724-A728 WeakPolarHBondContact O-CB 3.5Å; Y724-A728 PolarHBondContact O-N 2.95Å; Y724-I729 HydrophobicContact CE1-CD1 4.48Å; Y724-I729 HydrophobicContact CE1-CG1 3.94Å |
| 725 | L | 90.9 | Very high | 84.6 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -57.9 | -45.2 | 175.6 | -77.1 | -178.4 | 0 | 0 | 0 | 111.7 | I692 F721 Q722 K723 I729 N730 L745 | I692-L725 HydrophobicContact CG2-CD2 3.81Å; F721-L725 HydrophobicContact CD1-CD1 3.87Å; F721-L725 HydrophobicContact CD1-CG 4.12Å; F721-L725 HydrophobicContact CE1-CD1 3.58Å; F721-L725 HydrophobicContact CE1-CD2 4.3Å; F721-L725 HydrophobicContact CE1-CG 3.89Å; F721-L725 HydrophobicContact CZ-CD1 4.45Å; F721-L725 HydrophobicContact CZ-CD2 4.4Å; F721-L725 HydrophobicContact CZ-CG 4.39Å; F721-L725 WeakPolarHBondContact O-CG 3.24Å; F721-L725 PolarHBondContact O-N 3.13Å; Q722-L725 PolarHBondContact O-N 2.87Å; K723-L725 PolarHBondContact O-N 3.07Å; L725-I729 HydrophobicContact CD2-CB 4.48Å; L725-I729 HydrophobicContact CD2-CG1 4.4Å; L725-I729 PolarHBondContact O-N 2.8Å; L725-N730 WeakPolarHBondContact O-CB 3.45Å; L725-N730 PolarHBondContact O-N 2.92Å; L725-L745 HydrophobicContact CB-CD1 3.9Å |
| 726 | N | 89.3 | Confident | 86.1 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -70.9 | -38.1 | -178.6 | -70.8 | -10.1 | 0 | 0 | 0 | 113.4 | Q722 K723 Y724 | Q722-N726 PolarHBondContact NE2-OD1 3.15Å; Q722-N726 WeakPolarHBondContact O-CB 3.16Å; Q722-N726 PolarHBondContact O-N 2.92Å; Q722-N726 PolarHBondContact O-ND2 2.96Å; K723-N726 PolarHBondContact O-N 2.68Å; K723-N726 VanDerWaalsContact O-N 3.16Å; Y724-N726 VanDerWaalsContact C-N 3.32Å; Y724-N726 PolarHBondContact O-N 2.93Å |
| 727 | E | 89.4 | Confident | 87.3 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -100.4 | -20.1 | -170.2 | -67 | -178.1 | -178.5 | 0 | 0 | 114.7 | I675 K723 Y724 | I675-E727 WeakPolarHBondContact CD1-O 3.31Å; I675-E727 WeakPolarHBondContact CG2-O 3.16Å; K723-E727 WeakPolarHBondContact CE-OE1 3.43Å; K723-E727 WeakPolarHBondContact CE-OE2 3.25Å; K723-E727 VanDerWaalsContact CG-CD 3.49Å; K723-E727 HydrophobicContact CG-CG 4.18Å; K723-E727 WeakPolarHBondContact CG-OE1 3.4Å; K723-E727 WeakPolarHBondContact O-CB 3.47Å; K723-E727 WeakPolarHBondContact O-CG 3.47Å; K723-E727 PolarHBondContact O-N 2.84Å; Y724-E727 PolarHBondContact O-N 3.24Å |
| 728 | A | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -115.4 | -27.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N673 I674 Y724 | N673-A728 HydrophobicContact CB-CB 4.13Å; N673-A728 PolarHBondContact OD1-O 2.95Å; I674-A728 WeakPolarHBondContact CG1-O 3.37Å; I674-A728 PolarHBondContact N-O 3.3Å; Y724-A728 HydrophobicContact CD2-CB 3.69Å; Y724-A728 HydrophobicContact CE2-CB 3.77Å; Y724-A728 WeakPolarHBondContact O-CA 3.35Å; Y724-A728 VanDerWaalsContact O-CB 3.28Å; Y724-A728 WeakPolarHBondContact O-CB 3.5Å; Y724-A728 PolarHBondContact O-N 2.95Å |
| 729 | I | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -111.9 | -33.8 | -173.9 | -56.8 | -63.5 | 0 | 0 | 0 | 113.4 | L672 I674 F688 I692 Y724 L725 F731 L745 | L672-I729 HydrophobicContact CB-CD1 4.22Å; L672-I729 HydrophobicContact CD2-CD1 4.36Å; L672-I729 HydrophobicContact CG-CD1 4.24Å; L672-I729 WeakPolarHBondContact O-CD1 3.24Å; I674-I729 HydrophobicContact CG1-CD1 4.38Å; F688-I729 HydrophobicContact CE1-CG2 4.36Å; F688-I729 HydrophobicContact CZ-CD1 4.42Å; I692-I729 HydrophobicContact CD1-CD1 4.14Å; I692-I729 HydrophobicContact CD1-CG1 4.35Å; I692-I729 HydrophobicContact CD1-CG2 4.05Å; I692-I729 HydrophobicContact CG1-CG2 4.14Å; Y724-I729 HydrophobicContact CE1-CD1 4.48Å; Y724-I729 HydrophobicContact CE1-CG1 3.94Å; L725-I729 HydrophobicContact CD2-CB 4.48Å; L725-I729 HydrophobicContact CD2-CG1 4.4Å; L725-I729 PolarHBondContact O-N 2.8Å; I729-F731 WeakPolarHBondContact O-CD1 3.48Å; I729-F731 PolarHBondContact O-N 2.71Å; I729-F731 VanDerWaalsContact O-N 3.07Å; I729-L745 HydrophobicContact CG2-CD2 4.06Å |
| 730 | N | 94 | Very high | 90.1 | Very high | 39 Ų | 39 | 42.9 Ų | 42.9 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | trans | -82.4 | 88.8 | -171.4 | -163.1 | 30.1 | 0 | 0 | 0 | 113.1 | L725 L745 | L725-N730 WeakPolarHBondContact O-CB 3.45Å; L725-N730 PolarHBondContact O-N 2.92Å; N730-L745 HydrophobicContact CB-CD1 3.72Å; N730-L745 HydrophobicContact CB-CG 3.93Å; N730-L745 WeakPolarHBondContact OD1-CB 3.3Å; N730-L745 WeakPolarHBondContact OD1-CG 3.44Å; N730-L745 PolarHBondContact OD1-N 2.66Å; N730-L745 VanDerWaalsContact OD1-N 3.14Å | ||
| 731 | F | 94.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 158.6 | 171.6 | 59 | -93.4 | 0 | 0 | 0 | 112.3 | I674 F679 L685 I729 F744 | I674-F731 HydrophobicContact CD1-CD1 3.93Å; I674-F731 HydrophobicContact CD1-CE1 3.73Å; I674-F731 HydrophobicContact CG1-CD1 4.35Å; F679-F731 HydrophobicContact CB-CD2 3.81Å; F679-F731 HydrophobicContact CB-CE2 3.36Å; F679-F731 HydrophobicContact CB-CZ 3.87Å; F679-F731 AromaticContact CD2-CD1 3.66Å; F679-F731 HydrophobicContact CD2-CD1 3.66Å; F679-F731 AromaticContact CD2-CD2 3.78Å; F679-F731 HydrophobicContact CD2-CD2 3.78Å; F679-F731 AromaticContact CD2-CE1 3.64Å; F679-F731 HydrophobicContact CD2-CE1 3.64Å; F679-F731 AromaticContact CD2-CE2 3.74Å; F679-F731 HydrophobicContact CD2-CE2 3.74Å; F679-F731 AromaticContact CD2-CG 3.75Å; F679-F731 HydrophobicContact CD2-CG 3.75Å; F679-F731 AromaticContact CD2-CZ 3.68Å; F679-F731 HydrophobicContact CD2-CZ 3.68Å; F679-F731 HydrophobicContact CE2-CD1 4.05Å; F679-F731 HydrophobicContact CE2-CE1 4.04Å; F679-F731 HydrophobicContact CE2-CG 4.48Å; F679-F731 HydrophobicContact CE2-CZ 4.45Å; F679-F731 HydrophobicContact CG-CD2 4.26Å; F679-F731 HydrophobicContact CG-CE1 4.35Å; F679-F731 AromaticContact CG-CE2 3.89Å; F679-F731 HydrophobicContact CG-CE2 3.89Å; F679-F731 AromaticContact CG-CZ 3.94Å; F679-F731 HydrophobicContact CG-CZ 3.94Å; L685-F731 HydrophobicContact CD1-CZ 4.14Å; I729-F731 WeakPolarHBondContact O-CD1 3.48Å; I729-F731 PolarHBondContact O-N 2.71Å; I729-F731 VanDerWaalsContact O-N 3.07Å; F731-F744 HydrophobicContact CD1-CB 4.23Å; F731-F744 HydrophobicContact CD1-CG 4.46Å; F731-F744 HydrophobicContact CD2-CB 3.98Å; F731-F744 HydrophobicContact CE1-CB 3.9Å; F731-F744 AromaticContact CE1-CD1 3.74Å; F731-F744 HydrophobicContact CE1-CD1 3.74Å; F731-F744 HydrophobicContact CE1-CD2 4.22Å; F731-F744 HydrophobicContact CE1-CE1 4.31Å; F731-F744 AromaticContact CE1-CG 3.68Å; F731-F744 HydrophobicContact CE1-CG 3.68Å; F731-F744 HydrophobicContact CE2-CB 3.64Å; F731-F744 AromaticContact CE2-CD2 3.96Å; F731-F744 HydrophobicContact CE2-CD2 3.96Å; F731-F744 AromaticContact CE2-CG 3.88Å; F731-F744 HydrophobicContact CE2-CG 3.88Å; F731-F744 HydrophobicContact CG-CB 4.25Å; F731-F744 HydrophobicContact CZ-CB 3.6Å; F731-F744 AromaticContact CZ-CD1 3.86Å; F731-F744 HydrophobicContact CZ-CD1 3.86Å; F731-F744 AromaticContact CZ-CD2 3.47Å; F731-F744 HydrophobicContact CZ-CD2 3.47Å; F731-F744 VanDerWaalsContact CZ-CD2 3.47Å; F731-F744 HydrophobicContact CZ-CE1 4.41Å; F731-F744 HydrophobicContact CZ-CE2 4.06Å; F731-F744 AromaticContact CZ-CG 3.35Å; F731-F744 HydrophobicContact CZ-CG 3.35Å; F731-F744 HydrophobicContact CZ-CZ 4.49Å; F731-F744 WeakPolarHBondContact O-CB 3.47Å; F731-F744 PolarHBondContact O-N 3.27Å |
| 732 | T | 95.6 | Very high | 91.4 | Very high | 77 Ų | 77 | 51.6 Ų | 51.6 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | B | Isolated β-bridge | trans | -86.1 | 131.5 | 169.7 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | G741 R742 N743 | T732-G741 VanDerWaalsContact CG2-C 3.49Å; T732-G741 WeakPolarHBondContact CG2-O 3.48Å; T732-R742 CarbonylContact C-O 3.28Å; T732-R742 WeakPolarHBondContact CA-O 3.48Å; T732-N743 PolarHBondContact OG1-OD1 3.17Å |
| 733 | C | 96.6 | Very high | 92 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 135.8 | -179.7 | -64.5 | 0 | 0 | 0 | 0 | 112.5 | C681 W739 G741 R742 | C681-C733 HydrophobicContact CB-CB 3.62Å; C681-C733 WeakPolarHBondContact CB-SG 3.48Å; C681-C733 VanDerWaalsContact SG-CA 3.59Å; C681-C733 WeakPolarHBondContact SG-CB 3.39Å; C681-C733 CovalentContact SG-SG 2.02Å; C681-C733 PolarHBondContact SG-SG 3.19Å; C733-W739 WeakPolarHBondContact CB-O 3.45Å; C733-G741 PolarHBondContact O-N 3.36Å; C733-R742 WeakPolarHBondContact CB-O 3.12Å; C733-R742 PolarHBondContact N-O 2.92Å; C733-R742 PolarHBondContact SG-O 3.16Å; C733-R742 VanDerWaalsContact SG-O 3.36Å |
| 734 | Y | 94.2 | Very high | 92.6 | Very high | 149 Ų | 149 | 50.4 Ų | 50.4 | 58% | 0.584 | 27% | 0.272 | S | S | * | . | B | Isolated β-bridge | trans | -111.2 | 164.7 | 179.3 | -167.7 | -100.3 | 0 | 0 | 0 | 111.5 | P678 F679 V680 | P678-Y734 HydrophobicContact CB-CD1 4Å; P678-Y734 HydrophobicContact CB-CG 4.08Å; F679-Y734 PolarHBondContact O-N 2.92Å; V680-Y734 WeakPolarHBondContact CA-O 3.19Å |
| 735 | G | 90.5 | Very high | 92.8 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 122.1 | -146.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T740 | G735-T740 WeakPolarHBondContact O-CG2 3.1Š|
| 736 | T | 88.8 | Confident | 93 | Very high | 128 Ų | 128 | 55.8 Ų | 55.8 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -131.5 | 21.2 | 179.1 | 62.7 | 0 | 0 | 0 | 0 | 112 | T805 | T736-T805 HydrophobicContact CG2-CG2 4.06Š|
| 737 | N | 90.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -101.5 | 171.5 | -174.8 | 84.8 | -1.2 | 0 | 0 | 0 | 111.6 | C681 W739 T740 E755 | C681-N737 PolarHBondContact O-ND2 3.06Å; N737-W739 PolarHBondContact O-N 3.46Å; N737-W739 PolarHBondContact OD1-N 2.9Å; N737-W739 VanDerWaalsContact OD1-N 3.16Å; N737-T740 PolarHBondContact N-OG1 2.87Å; N737-T740 WeakPolarHBondContact O-CB 3.15Å; N737-T740 PolarHBondContact O-N 2.87Å; N737-T740 PolarHBondContact O-OG1 2.87Å; N737-T740 PolarHBondContact OD1-N 2.84Å; N737-E755 HydrophobicContact CB-CG 4.17Å |
| 738 | Q | 91 | Very high | 93.3 | Very high | 103 Ų | 103 | 51.5 Ų | 51.5 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -13 | -171.2 | 83.5 | -162.1 | -73.9 | 0 | 0 | 114.5 | E755 | Q738-E755 WeakPolarHBondContact CB-OE1 3.14Å; Q738-E755 HydrophobicContact CG-CG 4.32Å; Q738-E755 WeakPolarHBondContact CG-OE1 3.4Å; Q738-E755 PolarHBondContact N-OE1 3.33Å; Q738-E755 PolarHBondContact NE2-OE1 3.17Å |
| 739 | W | 93.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -7.1 | 178.9 | -51.9 | 129.6 | 0 | 0 | 0 | 113.8 | C681 C733 N737 G741 R742 L747 D751 M754 E755 | C681-W739 HydrophobicContact CB-CB 4.09Å; C733-W739 WeakPolarHBondContact CB-O 3.45Å; N737-W739 PolarHBondContact O-N 3.46Å; N737-W739 PolarHBondContact OD1-N 2.9Å; N737-W739 VanDerWaalsContact OD1-N 3.16Å; W739-G741 PolarHBondContact O-N 2.53Å; W739-R742 WeakPolarHBondContact O-CB 3.32Å; W739-R742 PolarHBondContact O-N 3.4Å; W739-L747 HydrophobicContact CB-CD1 3.93Å; W739-L747 HydrophobicContact CB-CD2 4.43Å; W739-L747 HydrophobicContact CD2-CD1 4.49Å; W739-L747 HydrophobicContact CD2-CD2 3.83Å; W739-L747 HydrophobicContact CE3-CD2 3.63Å; W739-L747 HydrophobicContact CG-CD1 4.01Å; W739-L747 HydrophobicContact CG-CD2 4.17Å; W739-L747 HydrophobicContact CZ3-CD2 4.21Å; W739-D751 VanDerWaalsContact CE2-O 3.26Å; W739-D751 HydrophobicContact CH2-CB 3.84Å; W739-D751 HydrophobicContact CZ2-CB 3.48Å; W739-D751 VanDerWaalsContact CZ2-CB 3.48Å; W739-D751 VanDerWaalsContact CZ2-O 3.31Å; W739-D751 WeakPolarHBondContact CZ2-O 3.43Å; W739-D751 PolarHBondContact NE1-O 3.09Å; W739-M754 HydrophobicContact CZ2-CB 4.33Å; W739-E755 VanDerWaalsContact CD1-CG 3.49Å |
| 740 | T | 92.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 129.3 | 176.5 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | G735 N737 R742 | G735-T740 WeakPolarHBondContact O-CG2 3.1Å; N737-T740 PolarHBondContact N-OG1 2.87Å; N737-T740 WeakPolarHBondContact O-CB 3.15Å; N737-T740 PolarHBondContact O-N 2.87Å; N737-T740 PolarHBondContact O-OG1 2.87Å; N737-T740 PolarHBondContact OD1-N 2.84Å; T740-R742 VanDerWaalsContact C-N 3.31Å; T740-R742 PolarHBondContact O-N 2.93Å |
| 741 | G | 92.9 | Very high | 93 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -6.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T732 C733 W739 | T732-G741 VanDerWaalsContact CG2-C 3.49Å; T732-G741 WeakPolarHBondContact CG2-O 3.48Å; C733-G741 PolarHBondContact O-N 3.36Å; W739-G741 PolarHBondContact O-N 2.53Å |
| 742 | R | 94.7 | Very high | 92.9 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 50% | 0.498 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -85.2 | 154.8 | 170.9 | -57.4 | -159.9 | -171 | -162.8 | 1.4 | 111.6 | T732 C733 W739 T740 L747 | T732-R742 CarbonylContact C-O 3.28Å; T732-R742 WeakPolarHBondContact CA-O 3.48Å; C733-R742 WeakPolarHBondContact CB-O 3.12Å; C733-R742 PolarHBondContact N-O 2.92Å; C733-R742 PolarHBondContact SG-O 3.16Å; C733-R742 VanDerWaalsContact SG-O 3.36Å; W739-R742 WeakPolarHBondContact O-CB 3.32Å; W739-R742 PolarHBondContact O-N 3.4Å; T740-R742 VanDerWaalsContact C-N 3.31Å; T740-R742 PolarHBondContact O-N 2.93Å; R742-L747 HydrophobicContact CB-CD2 4.4Å |
| 743 | N | 95.3 | Very high | 92.6 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 132.1 | 176.7 | -72 | -20.7 | 0 | 0 | 0 | 111 | T732 L745 T746 | T732-N743 PolarHBondContact OG1-OD1 3.17Å; N743-L745 VanDerWaalsContact C-N 3.3Å; N743-L745 PolarHBondContact O-N 2.79Å; N743-L745 VanDerWaalsContact O-N 3.17Å; N743-T746 HydrophobicContact CB-CG2 4.21Å; N743-T746 WeakPolarHBondContact O-CB 3.32Å; N743-T746 PolarHBondContact O-N 2.71Å; N743-T746 PolarHBondContact O-OG1 3.3Å |
| 744 | F | 96.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -54.4 | -39.4 | -169.9 | 175.5 | -109.7 | 0 | 0 | 0 | 114.2 | L685 F688 R689 F731 T746 L747 L752 | L685-F744 HydrophobicContact CB-CE2 4.15Å; F688-F744 AromaticContact CD1-CE1 3.67Å; F688-F744 HydrophobicContact CD1-CE1 3.67Å; F688-F744 AromaticContact CD1-CZ 3.63Å; F688-F744 HydrophobicContact CD1-CZ 3.63Å; F688-F744 AromaticContact CE1-CE1 3.87Å; F688-F744 HydrophobicContact CE1-CE1 3.87Å; F688-F744 HydrophobicContact CE1-CZ 4.3Å; R689-F744 HydrophobicContact CB-CE1 4.4Å; R689-F744 HydrophobicContact CB-CE2 4.1Å; R689-F744 HydrophobicContact CB-CZ 3.61Å; R689-F744 HydrophobicContact CG-CZ 4.18Å; R689-F744 PolarHBondContact NE-O 3.06Å; F731-F744 HydrophobicContact CD1-CB 4.23Å; F731-F744 HydrophobicContact CD1-CG 4.46Å; F731-F744 HydrophobicContact CD2-CB 3.98Å; F731-F744 HydrophobicContact CE1-CB 3.9Å; F731-F744 AromaticContact CE1-CD1 3.74Å; F731-F744 HydrophobicContact CE1-CD1 3.74Å; F731-F744 HydrophobicContact CE1-CD2 4.22Å; F731-F744 HydrophobicContact CE1-CE1 4.31Å; F731-F744 AromaticContact CE1-CG 3.68Å; F731-F744 HydrophobicContact CE1-CG 3.68Å; F731-F744 HydrophobicContact CE2-CB 3.64Å; F731-F744 AromaticContact CE2-CD2 3.96Å; F731-F744 HydrophobicContact CE2-CD2 3.96Å; F731-F744 AromaticContact CE2-CG 3.88Å; F731-F744 HydrophobicContact CE2-CG 3.88Å; F731-F744 HydrophobicContact CG-CB 4.25Å; F731-F744 HydrophobicContact CZ-CB 3.6Å; F731-F744 AromaticContact CZ-CD1 3.86Å; F731-F744 HydrophobicContact CZ-CD1 3.86Å; F731-F744 AromaticContact CZ-CD2 3.47Å; F731-F744 HydrophobicContact CZ-CD2 3.47Å; F731-F744 VanDerWaalsContact CZ-CD2 3.47Å; F731-F744 HydrophobicContact CZ-CE1 4.41Å; F731-F744 HydrophobicContact CZ-CE2 4.06Å; F731-F744 AromaticContact CZ-CG 3.35Å; F731-F744 HydrophobicContact CZ-CG 3.35Å; F731-F744 HydrophobicContact CZ-CZ 4.49Å; F731-F744 WeakPolarHBondContact O-CB 3.47Å; F731-F744 PolarHBondContact O-N 3.27Å; F744-T746 PolarHBondContact O-N 2.73Å; F744-L747 PolarHBondContact O-N 3.03Å; F744-L747 VanDerWaalsContact O-N 3.16Å; F744-L752 HydrophobicContact CE2-CD1 3.82Å |
| 745 | L | 94.5 | Very high | 92.1 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -68.1 | -19.5 | 179.2 | -65 | -175.1 | 0 | 0 | 0 | 113.6 | R689 I692 L725 I729 N730 N743 L747 | R689-L745 PolarHBondContact NH2-O 3.26Å; I692-L745 HydrophobicContact CG2-CD2 4.18Å; L725-L745 HydrophobicContact CB-CD1 3.9Å; I729-L745 HydrophobicContact CG2-CD2 4.06Å; N730-L745 HydrophobicContact CB-CD1 3.72Å; N730-L745 HydrophobicContact CB-CG 3.93Å; N730-L745 WeakPolarHBondContact OD1-CB 3.3Å; N730-L745 WeakPolarHBondContact OD1-CG 3.44Å; N730-L745 PolarHBondContact OD1-N 2.66Å; N730-L745 VanDerWaalsContact OD1-N 3.14Å; N743-L745 VanDerWaalsContact C-N 3.3Å; N743-L745 PolarHBondContact O-N 2.79Å; N743-L745 VanDerWaalsContact O-N 3.17Å; L745-L747 VanDerWaalsContact C-N 3.31Å |
| 746 | T | 94.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 59 Ų | 59 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -77.4 | -16.6 | 175.2 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | N743 F744 | N743-T746 HydrophobicContact CB-CG2 4.21Å; N743-T746 WeakPolarHBondContact O-CB 3.32Å; N743-T746 PolarHBondContact O-N 2.71Å; N743-T746 PolarHBondContact O-OG1 3.3Å; F744-T746 PolarHBondContact O-N 2.73Å |
| 747 | L | 93.3 | Very high | 91.8 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -85.7 | 142.5 | 175.9 | -55.2 | 179.2 | 0 | 0 | 0 | 110.3 | C681 R689 W739 R742 F744 L745 D751 L752 | C681-L747 HydrophobicContact CB-CD1 3.91Å; R689-L747 WeakPolarHBondContact CD-O 3.31Å; R689-L747 PolarHBondContact NE-O 2.78Å; W739-L747 HydrophobicContact CB-CD1 3.93Å; W739-L747 HydrophobicContact CB-CD2 4.43Å; W739-L747 HydrophobicContact CD2-CD1 4.49Å; W739-L747 HydrophobicContact CD2-CD2 3.83Å; W739-L747 HydrophobicContact CE3-CD2 3.63Å; W739-L747 HydrophobicContact CG-CD1 4.01Å; W739-L747 HydrophobicContact CG-CD2 4.17Å; W739-L747 HydrophobicContact CZ3-CD2 4.21Å; R742-L747 HydrophobicContact CB-CD2 4.4Å; F744-L747 PolarHBondContact O-N 3.03Å; F744-L747 VanDerWaalsContact O-N 3.16Å; L745-L747 VanDerWaalsContact C-N 3.31Å; L747-D751 HydrophobicContact CB-CB 4.25Å; L747-D751 HydrophobicContact CD2-CB 4.28Å; L747-L752 HydrophobicContact CB-CG 4.39Å; L747-L752 HydrophobicContact CD1-CD2 3.79Å; L747-L752 HydrophobicContact CD1-CG 4.37Å |
| 748 | T | 92.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | trans | -85.1 | 166.7 | 165.2 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | N750 D751 L752 | T748-N750 PolarHBondContact O-N 3.04Å; T748-N750 PolarHBondContact OG1-N 2.92Å; T748-D751 WeakPolarHBondContact CA-OD2 3.44Å; T748-D751 VanDerWaalsContact CB-OD2 3.26Å; T748-D751 WeakPolarHBondContact CB-OD2 3.45Å; T748-D751 WeakPolarHBondContact CG2-OD2 3.02Å; T748-D751 PolarHBondContact N-OD2 3.41Å; T748-D751 PolarHBondContact O-N 2.84Å; T748-D751 PolarHBondContact OG1-N 3.07Å; T748-D751 PolarHBondContact OG1-OD2 3.02Å; T748-L752 PolarHBondContact O-N 2.64Å | ||
| 749 | P | 90.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.8 | -28.8 | 167.3 | -25.1 | 35.7 | 0 | 0 | 0 | 113.1 | A686 R689 L752 Y753 L774 | A686-P749 HydrophobicContact CB-CB 4.45Å; R689-P749 HydrophobicContact CB-CG 4.33Å; R689-P749 HydrophobicContact CG-CG 4.22Å; P749-L752 PolarHBondContact O-N 2.54Å; P749-Y753 WeakPolarHBondContact O-CD2 3.41Å; P749-Y753 PolarHBondContact O-N 3.23Å; P749-Y753 VanDerWaalsContact O-N 3.11Å; P749-L774 HydrophobicContact CB-CD2 3.73Å; P749-L774 HydrophobicContact CG-CD2 4.3Å |
| 750 | N | 88.9 | Confident | 91.4 | Very high | 64 Ų | 64 | 52.8 Ų | 52.8 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71 | -44.9 | -179.9 | -66.3 | -0.7 | 0 | 0 | 0 | 111.7 | T748 L752 Y753 M754 M771 | T748-N750 PolarHBondContact O-N 3.04Å; T748-N750 PolarHBondContact OG1-N 2.92Å; N750-L752 PolarHBondContact O-N 2.94Å; N750-Y753 WeakPolarHBondContact O-CA 3.42Å; N750-Y753 PolarHBondContact O-N 3.46Å; N750-M754 WeakPolarHBondContact O-CG 3.42Å; N750-M754 PolarHBondContact O-N 3.01Å; N750-M771 PolarHBondContact ND2-SD 2.97Å; N750-M771 VanDerWaalsContact OD1-CB 3.3Å; N750-M771 WeakPolarHBondContact OD1-CB 3.24Å; N750-M771 WeakPolarHBondContact OD1-CE 3.23Å; N750-M771 WeakPolarHBondContact OD1-CG 3.44Å; N750-M771 PolarHBondContact OD1-SD 2.99Å |
| 751 | D | 92.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.6 | -45.4 | 174.8 | -60.9 | -60.7 | 0 | 0 | 0 | 110 | W739 L747 T748 Y753 M754 | W739-D751 VanDerWaalsContact CE2-O 3.26Å; W739-D751 HydrophobicContact CH2-CB 3.84Å; W739-D751 HydrophobicContact CZ2-CB 3.48Å; W739-D751 VanDerWaalsContact CZ2-CB 3.48Å; W739-D751 VanDerWaalsContact CZ2-O 3.31Å; W739-D751 WeakPolarHBondContact CZ2-O 3.43Å; W739-D751 PolarHBondContact NE1-O 3.09Å; L747-D751 HydrophobicContact CB-CB 4.25Å; L747-D751 HydrophobicContact CD2-CB 4.28Å; T748-D751 WeakPolarHBondContact CA-OD2 3.44Å; T748-D751 VanDerWaalsContact CB-OD2 3.26Å; T748-D751 WeakPolarHBondContact CB-OD2 3.45Å; T748-D751 WeakPolarHBondContact CG2-OD2 3.02Å; T748-D751 PolarHBondContact N-OD2 3.41Å; T748-D751 PolarHBondContact O-N 2.84Å; T748-D751 PolarHBondContact OG1-N 3.07Å; T748-D751 PolarHBondContact OG1-OD2 3.02Å; D751-Y753 VanDerWaalsContact C-N 3.35Å; D751-Y753 PolarHBondContact O-N 2.85Å; D751-M754 WeakPolarHBondContact O-CB 3.45Å; D751-M754 PolarHBondContact O-N 3.08Å; D751-M754 VanDerWaalsContact O-N 3.08Å |
| 752 | L | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.2 | -65.9 | 166 | 0 | 0 | 0 | 112.7 | C681 D682 C683 A686 R689 F744 L747 T748 P749 N750 M754 E755 | C681-L752 HydrophobicContact CB-CD2 3.69Å; D682-L752 CarbonylContact C-O 3.48Å; C683-L752 VanDerWaalsContact CA-O 3.29Å; C683-L752 WeakPolarHBondContact CA-O 3.39Å; C683-L752 PolarHBondContact N-O 3.22Å; A686-L752 HydrophobicContact CB-CB 3.82Å; A686-L752 HydrophobicContact CB-CD1 4.42Å; R689-L752 HydrophobicContact CB-CD1 3.66Å; R689-L752 HydrophobicContact CG-CD1 4.11Å; F744-L752 HydrophobicContact CE2-CD1 3.82Å; L747-L752 HydrophobicContact CB-CG 4.39Å; L747-L752 HydrophobicContact CD1-CD2 3.79Å; L747-L752 HydrophobicContact CD1-CG 4.37Å; T748-L752 PolarHBondContact O-N 2.64Å; P749-L752 PolarHBondContact O-N 2.54Å; N750-L752 PolarHBondContact O-N 2.94Å; L752-M754 VanDerWaalsContact C-N 3.33Å; L752-M754 PolarHBondContact O-N 3.13Å; L752-E755 PolarHBondContact O-N 2.82Å |
| 753 | Y | 89.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.7 | -20.2 | 172.5 | -76.3 | -62.5 | 0 | 0 | 0 | 115 | C683 A686 P749 N750 D751 E755 Y767 L774 | C683-Y753 HydrophobicContact CB-CD1 3.7Å; C683-Y753 HydrophobicContact CB-CE1 3.97Å; A686-Y753 HydrophobicContact CB-CD2 3.99Å; A686-Y753 HydrophobicContact CB-CE1 4.07Å; A686-Y753 HydrophobicContact CB-CE2 3.41Å; A686-Y753 VanDerWaalsContact CB-CE2 3.41Å; A686-Y753 HydrophobicContact CB-CG 4.47Å; A686-Y753 VanDerWaalsContact CB-CZ 3.41Å; A686-Y753 WeakPolarHBondContact CB-OH 3.3Å; P749-Y753 WeakPolarHBondContact O-CD2 3.41Å; P749-Y753 PolarHBondContact O-N 3.23Å; P749-Y753 VanDerWaalsContact O-N 3.11Å; N750-Y753 WeakPolarHBondContact O-CA 3.42Å; N750-Y753 PolarHBondContact O-N 3.46Å; D751-Y753 VanDerWaalsContact C-N 3.35Å; D751-Y753 PolarHBondContact O-N 2.85Å; Y753-E755 PolarHBondContact O-N 2.9Å; Y753-Y767 PolarHBondContact OH-O 3.13Å; Y753-L774 HydrophobicContact CE2-CD1 4.16Å; Y753-L774 HydrophobicContact CE2-CD2 4.18Å; Y753-L774 WeakPolarHBondContact OH-CD1 3.32Å |
| 754 | M | 89 | Confident | 89.9 | Confident | 136 Ų | 136 | 52.5 Ų | 52.5 | 67% | 0.67 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.4 | 173.2 | -59.3 | -61 | -68.2 | 0 | 0 | 112.5 | W739 N750 D751 L752 | W739-M754 HydrophobicContact CZ2-CB 4.33Å; N750-M754 WeakPolarHBondContact O-CG 3.42Å; N750-M754 PolarHBondContact O-N 3.01Å; D751-M754 WeakPolarHBondContact O-CB 3.45Å; D751-M754 PolarHBondContact O-N 3.08Å; D751-M754 VanDerWaalsContact O-N 3.08Å; L752-M754 VanDerWaalsContact C-N 3.33Å; L752-M754 PolarHBondContact O-N 3.13Å |
| 755 | E | 90 | Very high | 89.1 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -102.2 | 92.7 | 172.3 | -72.5 | -68.3 | 175.8 | 0 | 0 | 110.1 | D682 C683 N737 Q738 W739 L752 Y753 H757 | D682-E755 HydrophobicContact CB-CB 4.1Å; C683-E755 PolarHBondContact N-O 3.39Å; N737-E755 HydrophobicContact CB-CG 4.17Å; Q738-E755 WeakPolarHBondContact CB-OE1 3.14Å; Q738-E755 HydrophobicContact CG-CG 4.32Å; Q738-E755 WeakPolarHBondContact CG-OE1 3.4Å; Q738-E755 PolarHBondContact N-OE1 3.33Å; Q738-E755 PolarHBondContact NE2-OE1 3.17Å; W739-E755 VanDerWaalsContact CD1-CG 3.49Å; L752-E755 PolarHBondContact O-N 2.82Å; Y753-E755 PolarHBondContact O-N 2.9Å; E755-H757 PolarHBondContact O-N 3.19Å |
| 756 | E | 84.5 | Confident | 88.6 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | trans | -73.5 | 117.4 | -179 | -64.8 | -169 | 110.1 | 0 | 0 | 112.6 | K761 | E756-K761 WeakPolarHBondContact OE1-CE 3.49Å; E756-K761 IonicContact OE1-NZ 3.12Å; E756-K761 PolarHBondContact OE1-NZ 2.98Å; E756-K761 VanDerWaalsContact OE1-NZ 3.07Å; E756-K761 VanDerWaalsContact OE2-CE 3.26Å; E756-K761 WeakPolarHBondContact OE2-CE 3.15Å; E756-K761 IonicContact OE2-NZ 3.07Å; E756-K761 PolarHBondContact OE2-NZ 2.85Å | ||
| 757 | H | 90 | Very high | 88.2 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | trans | -100.2 | 148.2 | 168 | -161.2 | -82.7 | 0 | 0 | 0 | 111.3 | D682 C683 R684 E755 D759 C760 K761 | D682-H757 HydrophobicContact CB-CB 4.45Å; D682-H757 IonicContact OD2-CD2 2.67Å; D682-H757 IonicContact OD2-CG 3.12Å; C683-H757 PolarHBondContact SG-N 2.99Å; R684-H757 HydrophobicContact CG-CB 4.22Å; R684-H757 VanDerWaalsContact CZ-CE1 3.47Å; R684-H757 VanDerWaalsContact CZ-NE2 3.25Å; R684-H757 PolarHBondContact NH1-CE1 2.98Å; R684-H757 PolarHBondContact NH1-NE2 3.04Å; R684-H757 VanDerWaalsContact NH1-NE2 3.17Å; R684-H757 PolarHBondContact NH2-CD2 3.05Å; R684-H757 PolarHBondContact NH2-NE2 2.99Å; E755-H757 PolarHBondContact O-N 3.19Å; H757-D759 VanDerWaalsContact C-N 3.29Å; H757-D759 IonicContact CE1-OD1 2.77Å; H757-D759 PolarHBondContact CE1-OD1 3.42Å; H757-D759 IonicContact CE1-OD2 3.62Å; H757-D759 PolarHBondContact CE1-OD2 3.26Å; H757-D759 VanDerWaalsContact CE1-OD2 3.29Å; H757-D759 PolarHBondContact ND1-N 3.45Å; H757-D759 IonicContact ND1-OD1 3.28Å; H757-D759 PolarHBondContact ND1-OD1 2.94Å; H757-D759 VanDerWaalsContact ND1-OD1 3.11Å; H757-D759 IonicContact ND1-OD2 3.57Å; H757-D759 PolarHBondContact ND1-OD2 3.24Å; H757-D759 PolarHBondContact O-N 3.23Å; H757-C760 WeakPolarHBondContact O-CB 3.28Å; H757-C760 PolarHBondContact O-N 3.2Å; H757-C760 VanDerWaalsContact O-N 3.08Å; H757-K761 PolarHBondContact O-N 2.98Å | ||
| 758 | T | 90.4 | Very high | 87.7 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 47% | 0.466 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.3 | -48.6 | 177.8 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | C760 K761 I762 | T758-C760 PolarHBondContact O-N 3.2Å; T758-C760 VanDerWaalsContact O-N 3.13Å; T758-K761 WeakPolarHBondContact O-CB 3.36Å; T758-K761 PolarHBondContact O-N 3.02Å; T758-I762 WeakPolarHBondContact O-CG1 3.36Å; T758-I762 PolarHBondContact O-N 3.21Å |
| 759 | D | 87.1 | Confident | 86.6 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -29.5 | -177.7 | -38.5 | -11.4 | 0 | 0 | 0 | 112.9 | R684 H757 R763 Y767 | R684-D759 WeakPolarHBondContact CD-OD2 3.33Å; R684-D759 HydrophobicContact CG-CB 4.41Å; R684-D759 IonicContact CZ-OD2 3.2Å; R684-D759 IonicContact NE-OD2 2.69Å; R684-D759 IonicContact NH1-OD2 3.74Å; R684-D759 PolarHBondContact NH1-OD2 3.06Å; H757-D759 VanDerWaalsContact C-N 3.29Å; H757-D759 IonicContact CE1-OD1 2.77Å; H757-D759 PolarHBondContact CE1-OD1 3.42Å; H757-D759 IonicContact CE1-OD2 3.62Å; H757-D759 PolarHBondContact CE1-OD2 3.26Å; H757-D759 VanDerWaalsContact CE1-OD2 3.29Å; H757-D759 PolarHBondContact ND1-N 3.45Å; H757-D759 IonicContact ND1-OD1 3.28Å; H757-D759 PolarHBondContact ND1-OD1 2.94Å; H757-D759 VanDerWaalsContact ND1-OD1 3.11Å; H757-D759 IonicContact ND1-OD2 3.57Å; H757-D759 PolarHBondContact ND1-OD2 3.24Å; H757-D759 PolarHBondContact O-N 3.23Å; D759-R763 WeakPolarHBondContact O-CA 3.33Å; D759-R763 WeakPolarHBondContact O-CB 3.4Å; D759-R763 PolarHBondContact O-N 2.93Å; D759-Y767 HydrophobicContact CB-CD2 4.37Å; D759-Y767 HydrophobicContact CB-CE2 3.6Å; D759-Y767 VanDerWaalsContact O-CD2 3.31Å; D759-Y767 WeakPolarHBondContact O-CD2 3.49Å |
| 760 | C | 88.8 | Confident | 85.6 | Confident | 11 Ų | 11 | 58.9 Ų | 58.9 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.1 | -37.4 | 176 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | C683 R684 H757 T758 I762 R763 P764 | C683-C760 VanDerWaalsContact C-SG 3.5Å; C683-C760 HydrophobicContact CB-CB 3.98Å; C683-C760 WeakPolarHBondContact CB-SG 3.46Å; C683-C760 WeakPolarHBondContact SG-CB 3.09Å; C683-C760 CovalentContact SG-SG 2.03Å; C683-C760 PolarHBondContact SG-SG 3.22Å; R684-C760 VanDerWaalsContact CG-SG 3.55Å; R684-C760 PolarHBondContact N-SG 3.03Å; H757-C760 WeakPolarHBondContact O-CB 3.28Å; H757-C760 PolarHBondContact O-N 3.2Å; H757-C760 VanDerWaalsContact O-N 3.08Å; T758-C760 PolarHBondContact O-N 3.2Å; T758-C760 VanDerWaalsContact O-N 3.13Å; C760-I762 VanDerWaalsContact C-N 3.32Å; C760-R763 CarbonylContact O-C 3.35Å; C760-P764 WeakPolarHBondContact O-CA 3.12Å; C760-P764 WeakPolarHBondContact O-CD 3.48Å |
| 761 | K | 86.8 | Confident | 84.1 | Confident | 130 Ų | 130 | 60.6 Ų | 60.6 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.5 | -35 | 173.5 | -58 | -168.1 | -177.4 | -159.7 | 0 | 111.7 | E756 H757 T758 | E756-K761 WeakPolarHBondContact OE1-CE 3.49Å; E756-K761 IonicContact OE1-NZ 3.12Å; E756-K761 PolarHBondContact OE1-NZ 2.98Å; E756-K761 VanDerWaalsContact OE1-NZ 3.07Å; E756-K761 VanDerWaalsContact OE2-CE 3.26Å; E756-K761 WeakPolarHBondContact OE2-CE 3.15Å; E756-K761 IonicContact OE2-NZ 3.07Å; E756-K761 PolarHBondContact OE2-NZ 2.85Å; H757-K761 PolarHBondContact O-N 2.98Å; T758-K761 WeakPolarHBondContact O-CB 3.36Å; T758-K761 PolarHBondContact O-N 3.02Å |
| 762 | I | 87.2 | Confident | 82.6 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -79.3 | -40.3 | 179.5 | -62.3 | 164.3 | 0 | 0 | 0 | 111.5 | T758 C760 P764 | T758-I762 WeakPolarHBondContact O-CG1 3.36Å; T758-I762 PolarHBondContact O-N 3.21Å; C760-I762 VanDerWaalsContact C-N 3.32Å; I762-P764 WeakPolarHBondContact O-CD 3.19Å |
| 763 | R | 85 | Confident | 81 | Confident | 15 Ų | 15 | 68 Ų | 68 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | trans | -124.3 | 61.5 | -177.1 | -50 | -166.6 | -52.3 | 177.5 | -8.5 | 113.5 | E616 D759 C760 D765 I766 Y767 | E616-R763 IonicContact OE2-CZ 3.46Å; E616-R763 IonicContact OE2-NH1 2.9Å; E616-R763 IonicContact OE2-NH2 3.3Å; E616-R763 PolarHBondContact OE2-NH2 2.89Å; D759-R763 WeakPolarHBondContact O-CA 3.33Å; D759-R763 WeakPolarHBondContact O-CB 3.4Å; D759-R763 PolarHBondContact O-N 2.93Å; C760-R763 CarbonylContact O-C 3.35Å; R763-D765 VanDerWaalsContact C-OD1 3.31Å; R763-D765 WeakPolarHBondContact CA-OD1 3.33Å; R763-D765 PolarHBondContact O-N 2.76Å; R763-I766 HydrophobicContact CB-CB 4.21Å; R763-I766 HydrophobicContact CB-CD1 4.47Å; R763-I766 PolarHBondContact O-N 3.24Å; R763-Y767 HydrophobicContact CB-CD2 4.1Å; R763-Y767 HydrophobicContact CB-CE2 4.38Å; R763-Y767 PolarHBondContact NH2-OH 3.24Å; R763-Y767 PolarHBondContact O-N 3.02Å | ||
| 764 | P | 83.7 | Confident | 79.6 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 31% | 0.312 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.1 | -10.9 | 176.7 | 29.3 | -35.6 | 0 | 0 | 0 | 113.2 | C760 I762 G768 K769 | C760-P764 WeakPolarHBondContact O-CA 3.12Å; C760-P764 WeakPolarHBondContact O-CD 3.48Å; I762-P764 WeakPolarHBondContact O-CD 3.19Å; P764-G768 CarbonylContact O-C 3.34Å; P764-G768 WeakPolarHBondContact O-CA 3.42Å; P764-G768 PolarHBondContact O-N 3.15Å; P764-K769 HydrophobicContact CB-CB 3.85Å; P764-K769 HydrophobicContact CB-CG 4.29Å |
| 765 | D | 81.4 | Confident | 78.2 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76 | -33.2 | 172.2 | 68.8 | -48.1 | 0 | 0 | 0 | 112.9 | R763 L783 | R763-D765 VanDerWaalsContact C-OD1 3.31Å; R763-D765 WeakPolarHBondContact CA-OD1 3.33Å; R763-D765 PolarHBondContact O-N 2.76Å; D765-L783 HydrophobicContact CB-CD2 4.17Å |
| 766 | I | 83.5 | Confident | 76.9 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -87.3 | -47.8 | 176.7 | -71.9 | 174.3 | 0 | 0 | 0 | 110.8 | R617 C618 R763 L783 | R617-I766 HydrophobicContact CB-CG2 4.35Å; R617-I766 PolarHBondContact NH1-O 3.4Å; R617-I766 VanDerWaalsContact NH1-O 3.1Å; C618-I766 HydrophobicContact CB-CD1 4.1Å; C618-I766 HydrophobicContact CB-CG1 4.17Å; C618-I766 HydrophobicContact CB-CG2 4.21Å; R763-I766 HydrophobicContact CB-CB 4.21Å; R763-I766 HydrophobicContact CB-CD1 4.47Å; R763-I766 PolarHBondContact O-N 3.24Å; I766-L783 HydrophobicContact CG1-CD1 3.56Å |
| 767 | Y | 85.4 | Confident | 76.5 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -98.7 | -9.6 | -172.1 | -63 | -63.8 | 0 | 0 | 0 | 115.1 | R684 Y753 D759 R763 | R684-Y767 HydrophobicContact CB-CD1 4.06Å; R684-Y767 HydrophobicContact CB-CE1 3.74Å; R684-Y767 HydrophobicContact CG-CD1 4.26Å; R684-Y767 HydrophobicContact CG-CE1 3.94Å; R684-Y767 HydrophobicContact CG-CE2 4.3Å; Y753-Y767 PolarHBondContact OH-O 3.13Å; D759-Y767 HydrophobicContact CB-CD2 4.37Å; D759-Y767 HydrophobicContact CB-CE2 3.6Å; D759-Y767 VanDerWaalsContact O-CD2 3.31Å; D759-Y767 WeakPolarHBondContact O-CD2 3.49Å; R763-Y767 HydrophobicContact CB-CD2 4.1Å; R763-Y767 HydrophobicContact CB-CE2 4.38Å; R763-Y767 PolarHBondContact NH2-OH 3.24Å; R763-Y767 PolarHBondContact O-N 3.02Å |
| 768 | G | 81.9 | Confident | 76 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | trans | 83.4 | 152 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P764 S773 | P764-G768 CarbonylContact O-C 3.34Å; P764-G768 WeakPolarHBondContact O-CA 3.42Å; P764-G768 PolarHBondContact O-N 3.15Å; G768-S773 WeakPolarHBondContact CA-OG 3.45Å | ||
| 769 | K | 70.7 | Confident | 75.6 | Confident | 170 Ų | 170 | 68.7 Ų | 68.7 | 74% | 0.739 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -95.6 | -34.5 | 175.3 | -165.8 | 177.9 | 178.6 | -177.1 | 0 | 112.5 | P764 S773 | P764-K769 HydrophobicContact CB-CB 3.85Å; P764-K769 HydrophobicContact CB-CG 4.29Å; K769-S773 PolarHBondContact N-OG 3.13Å |
| 770 | D | 68.7 | Low | 75.5 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -162.4 | 178.7 | -178.2 | 60.4 | 23.6 | 0 | 0 | 0 | 109.7 | K772 S773 L774 | D770-K772 VanDerWaalsContact C-N 3.26Å; D770-K772 PolarHBondContact O-N 2.89Å; D770-K772 WeakPolarHBondContact OD1-CA 3.47Å; D770-K772 WeakPolarHBondContact OD1-CB 3.1Å; D770-K772 PolarHBondContact OD1-N 2.99Å; D770-S773 PolarHBondContact N-OG 3.17Å; D770-S773 VanDerWaalsContact N-OG 3.15Å; D770-S773 PolarHBondContact O-N 2.88Å; D770-S773 PolarHBondContact O-OG 3.03Å; D770-S773 PolarHBondContact OD1-N 2.87Å; D770-L774 PolarHBondContact O-N 3.04Å |
| 771 | M | 56.4 | Low | 75 | Confident | 99 Ų | 99 | 76.7 Ų | 76.7 | 49% | 0.488 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.4 | -35.7 | 177.2 | -163.7 | -168.9 | -153.1 | 0 | 0 | 113.2 | N750 S773 L774 | N750-M771 PolarHBondContact ND2-SD 2.97Å; N750-M771 VanDerWaalsContact OD1-CB 3.3Å; N750-M771 WeakPolarHBondContact OD1-CB 3.24Å; N750-M771 WeakPolarHBondContact OD1-CE 3.23Å; N750-M771 WeakPolarHBondContact OD1-CG 3.44Å; N750-M771 PolarHBondContact OD1-SD 2.99Å; M771-S773 VanDerWaalsContact C-N 3.32Å; M771-S773 PolarHBondContact O-N 2.99Å; M771-L774 WeakPolarHBondContact O-CB 3.29Å; M771-L774 PolarHBondContact O-N 3.23Å |
| 772 | K | 61.8 | Low | 74.7 | Confident | 173 Ų | 173 | 76 Ų | 76 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68 | -34.6 | -177.3 | -63.6 | -179.8 | 178.4 | 178.7 | 0 | 111.5 | D770 L774 | D770-K772 VanDerWaalsContact C-N 3.26Å; D770-K772 PolarHBondContact O-N 2.89Å; D770-K772 WeakPolarHBondContact OD1-CA 3.47Å; D770-K772 WeakPolarHBondContact OD1-CB 3.1Å; D770-K772 PolarHBondContact OD1-N 2.99Å; K772-L774 VanDerWaalsContact C-N 3.26Å; K772-L774 PolarHBondContact O-N 3.04Å |
| 773 | S | 59.9 | Low | 74.2 | Confident | 28 Ų | 28 | 71.6 Ų | 71.6 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -25.7 | 172.5 | 73.4 | 0 | 0 | 0 | 0 | 112.9 | G768 K769 D770 M771 E775 T776 L777 | G768-S773 WeakPolarHBondContact CA-OG 3.45Å; K769-S773 PolarHBondContact N-OG 3.13Å; D770-S773 PolarHBondContact N-OG 3.17Å; D770-S773 VanDerWaalsContact N-OG 3.15Å; D770-S773 PolarHBondContact O-N 2.88Å; D770-S773 PolarHBondContact O-OG 3.03Å; D770-S773 PolarHBondContact OD1-N 2.87Å; M771-S773 VanDerWaalsContact C-N 3.32Å; M771-S773 PolarHBondContact O-N 2.99Å; S773-E775 PolarHBondContact O-N 2.88Å; S773-T776 CarbonylContact O-C 3.51Å; S773-T776 WeakPolarHBondContact O-CA 3.17Å; S773-T776 PolarHBondContact O-N 2.94Å; S773-T776 PolarHBondContact O-OG1 2.84Å; S773-L777 PolarHBondContact O-N 2.94Å |
| 774 | L | 60.6 | Low | 73 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | -169.7 | -154.1 | 65.7 | 0 | 0 | 0 | 113.4 | Y690 P749 Y753 D770 M771 K772 T776 L777 | Y690-L774 HydrophobicContact CD1-CG 4.45Å; Y690-L774 HydrophobicContact CD2-CD2 3.74Å; Y690-L774 HydrophobicContact CD2-CG 4.11Å; Y690-L774 HydrophobicContact CG-CD2 3.82Å; Y690-L774 HydrophobicContact CG-CG 4.04Å; P749-L774 HydrophobicContact CB-CD2 3.73Å; P749-L774 HydrophobicContact CG-CD2 4.3Å; Y753-L774 HydrophobicContact CE2-CD1 4.16Å; Y753-L774 HydrophobicContact CE2-CD2 4.18Å; Y753-L774 WeakPolarHBondContact OH-CD1 3.32Å; D770-L774 PolarHBondContact O-N 3.04Å; M771-L774 WeakPolarHBondContact O-CB 3.29Å; M771-L774 PolarHBondContact O-N 3.23Å; K772-L774 VanDerWaalsContact C-N 3.26Å; K772-L774 PolarHBondContact O-N 3.04Å; L774-T776 PolarHBondContact O-N 2.67Å; L774-T776 VanDerWaalsContact O-N 3.12Å; L774-L777 HydrophobicContact CD1-CD1 3.61Å; L774-L777 HydrophobicContact CD1-CG 3.96Å; L774-L777 HydrophobicContact CG-CD1 4.46Å; L774-L777 PolarHBondContact O-N 3.33Å |
| 775 | E | 58.7 | Low | 71.7 | Confident | 158 Ų | 158 | 82 Ų | 82 | 74% | 0.738 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.4 | 174.3 | -56.3 | -167.9 | 136.1 | 0 | 0 | 112.5 | S773 | S773-E775 PolarHBondContact O-N 2.88Š|
| 776 | T | 63.5 | Low | 70.2 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 10.5 | -179.3 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | S773 L774 K778 | S773-T776 CarbonylContact O-C 3.51Å; S773-T776 WeakPolarHBondContact O-CA 3.17Å; S773-T776 PolarHBondContact O-N 2.94Å; S773-T776 PolarHBondContact O-OG1 2.84Å; L774-T776 PolarHBondContact O-N 2.67Å; L774-T776 VanDerWaalsContact O-N 3.12Å; T776-K778 PolarHBondContact O-N 2.73Å |
| 777 | L | 75.2 | Confident | 68.6 | Low | 32 Ų | 32 | 91.3 Ų | 91.3 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | trans | -53.5 | 106.4 | 177.9 | -83.9 | -170.9 | 0 | 0 | 0 | 111 | W687 S773 L774 | W687-L777 HydrophobicContact CB-CD1 3.83Å; S773-L777 PolarHBondContact O-N 2.94Å; L774-L777 HydrophobicContact CD1-CD1 3.61Å; L774-L777 HydrophobicContact CD1-CG 3.96Å; L774-L777 HydrophobicContact CG-CD1 4.46Å; L774-L777 PolarHBondContact O-N 3.33Å | ||
| 778 | K | 80.7 | Confident | 66.9 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 54% | 0.543 | 46% | 0.463 | S | S | . | . | trans | -62.7 | 132.4 | 176.2 | -68.1 | 174.6 | -175.7 | 171.5 | 0 | 108.4 | R617 T776 K782 L783 | R617-K778 PolarHBondContact NH1-O 3.27Å; R617-K778 PolarHBondContact NH2-O 3.32Å; T776-K778 PolarHBondContact O-N 2.73Å; K778-K782 HydrophobicContact CB-CB 4.17Å; K778-L783 HydrophobicContact CB-CD2 3.88Å; K778-L783 HydrophobicContact CB-CG 4.45Å; K778-L783 HydrophobicContact CD-CD2 4.22Å | ||
| 779 | P | 81.7 | Confident | 65.1 | Low | 44 Ų | 44 | 95.5 Ų | 95.5 | 29% | 0.286 | 47% | 0.471 | S | S | . | . | trans | -51.3 | 146.1 | 170.4 | -28.1 | 35.4 | 0 | 0 | 0 | 110.8 | E629 W781 K782 | E629-P779 VanDerWaalsContact OE2-CA 3.29Å; E629-P779 WeakPolarHBondContact OE2-CA 3.45Å; P779-W781 HydrophobicContact CB-CG 4.37Å; P779-W781 PolarHBondContact O-N 3.38Å; P779-K782 WeakPolarHBondContact O-CB 3.49Å; P779-K782 PolarHBondContact O-N 2.83Å | ||
| 780 | C | 85.1 | Confident | 64 | Low | 16 Ų | 16 | 92 Ų | 92 | 11% | 0.108 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -55.8 | -27.8 | -172.1 | -62 | 0 | 0 | 0 | 0 | 113.9 | R617 C618 P627 E629 K782 L783 | R617-C780 PolarHBondContact O-SG 3.3Å; C618-C780 WeakPolarHBondContact CA-SG 3.33Å; C618-C780 HydrophobicContact CB-CB 3.67Å; C618-C780 WeakPolarHBondContact CB-SG 3.49Å; C618-C780 VanDerWaalsContact SG-CA 3.6Å; C618-C780 WeakPolarHBondContact SG-CB 3.47Å; C618-C780 CovalentContact SG-SG 2.04Å; C618-C780 PolarHBondContact SG-SG 3.31Å; P627-C780 HydrophobicContact CB-CB 3.81Å; P627-C780 HydrophobicContact CG-CB 3.82Å; E629-C780 PolarHBondContact OE2-N 2.87Å; E629-C780 PolarHBondContact OE2-SG 3.32Å; E629-C780 VanDerWaalsContact OE2-SG 3.33Å; C780-K782 VanDerWaalsContact C-N 3.27Å; C780-K782 PolarHBondContact O-N 3.17Å; C780-L783 PolarHBondContact O-N 2.94Å |
| 781 | W | 78.3 | Confident | 63 | Low | 187 Ų | 187 | 90.3 Ų | 90.3 | 71% | 0.708 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -72.7 | -11.2 | 175.5 | 65.7 | -97.4 | 0 | 0 | 0 | 115 | P779 | P779-W781 HydrophobicContact CB-CG 4.37Å; P779-W781 PolarHBondContact O-N 3.38Å |
| 782 | K | 79.6 | Confident | 62.5 | Low | 115 Ų | 115 | 87.4 Ų | 87.4 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -100.3 | 1.4 | 172.9 | -65 | -167.9 | -174.3 | 176.9 | 0 | 113.4 | K778 P779 C780 | K778-K782 HydrophobicContact CB-CB 4.17Å; P779-K782 WeakPolarHBondContact O-CB 3.49Å; P779-K782 PolarHBondContact O-N 2.83Å; C780-K782 VanDerWaalsContact C-N 3.27Å; C780-K782 PolarHBondContact O-N 3.17Å |
| 783 | L | 75.7 | Confident | 61.8 | Low | 26 Ų | 26 | 85 Ų | 85 | 14% | 0.136 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -90.8 | 140.3 | 172.9 | -61.5 | 178.8 | 0 | 0 | 0 | 109.2 | D765 I766 K778 C780 K785 | D765-L783 HydrophobicContact CB-CD2 4.17Å; I766-L783 HydrophobicContact CG1-CD1 3.56Å; K778-L783 HydrophobicContact CB-CD2 3.88Å; K778-L783 HydrophobicContact CB-CG 4.45Å; K778-L783 HydrophobicContact CD-CD2 4.22Å; C780-L783 PolarHBondContact O-N 2.94Å; L783-K785 PolarHBondContact O-N 3.15Å |
| 784 | N | 60.3 | Low | 61.2 | Low | 141 Ų | 141 | 85.3 Ų | 85.3 | 75% | 0.754 | 44% | 0.436 | S | S | * | . | trans | -70.2 | 124.2 | 176.5 | -79.4 | -8.8 | 0 | 0 | 0 | 109.1 | T786 | N784-T786 PolarHBondContact O-N 3.03Š| ||
| 785 | K | 57 | Low | 60.5 | Low | 139 Ų | 139 | 89.3 Ų | 89.3 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -9.5 | -173.6 | -67 | -174.8 | 177.3 | -178 | 0 | 115.7 | L783 Q787 | L783-K785 PolarHBondContact O-N 3.15Å; K785-Q787 PolarHBondContact O-N 2.94Å |
| 786 | T | 50.6 | Low | 60.1 | Low | 123 Ų | 123 | 88.1 Ų | 88.1 | 76% | 0.755 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -6.8 | -162.5 | 45.7 | 0 | 0 | 0 | 0 | 116.2 | N784 | N784-T786 PolarHBondContact O-N 3.03Š|
| 787 | Q | 49.4 | Very low | 59.3 | Low | 161 Ų | 161 | 86.1 Ų | 86.1 | 75% | 0.752 | 44% | 0.44 | S | S | * | . | trans | -138.7 | 77.4 | -178.6 | -69.9 | -176.7 | -19.8 | 0 | 0 | 112.2 | K785 | K785-Q787 PolarHBondContact O-N 2.94Š| ||
| 788 | S | 48.4 | Very low | 58 | Low | 62 Ų | 62 | 87 Ų | 87 | 43% | 0.434 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -95.8 | 128.9 | 161 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | K584 | K584-S788 PolarHBondContact NZ-OG 3.08Š|
| 789 | P | 45.2 | Very low | 56.5 | Low | 29 Ų | 29 | 87.3 Ų | 87.3 | 19% | 0.188 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.5 | -170 | 27.3 | -35 | 0 | 0 | 0 | 111.5 | I794 | P789-I794 HydrophobicContact CB-CD1 4.41Å; P789-I794 HydrophobicContact CG-CD1 4.13Å |
| 790 | N | 48.3 | Very low | 54.8 | Low | 97 Ų | 97 | 89.7 Ų | 89.7 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 128.4 | 177.8 | -167.8 | -15 | 0 | 0 | 0 | 109.6 | G792 E793 | N790-G792 PolarHBondContact O-N 2.88Å; N790-G792 VanDerWaalsContact O-N 3.14Å; N790-G792 PolarHBondContact OD1-N 2.68Å; N790-E793 PolarHBondContact O-N 2.97Å; N790-E793 VanDerWaalsContact O-N 3.16Å |
| 791 | L | 45.9 | Very low | 52.8 | Low | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.188 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.2 | -26.2 | -179.2 | -175.2 | 61.1 | 0 | 0 | 0 | 112 | Y583 E793 I794 L795 | Y583-L791 HydrophobicContact CD2-CD2 3.69Å; Y583-L791 HydrophobicContact CE2-CD2 3.7Å; L791-E793 PolarHBondContact O-N 2.83Å; L791-I794 HydrophobicContact CD1-CB 4.49Å; L791-I794 PolarHBondContact O-N 2.96Å; L791-L795 HydrophobicContact CD1-CG 4.31Å; L791-L795 HydrophobicContact CD2-CD1 4.37Å; L791-L795 HydrophobicContact CG-CD1 3.91Å; L791-L795 HydrophobicContact CG-CG 4.12Å; L791-L795 WeakPolarHBondContact O-CB 3.49Å; L791-L795 WeakPolarHBondContact O-CG 3.47Å; L791-L795 PolarHBondContact O-N 3.06Å |
| 792 | G | 46.3 | Very low | 51.4 | Low | 37 Ų | 37 | 90.2 Ų | 90.2 | 38% | 0.381 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -55.1 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N790 I794 L795 Q796 | N790-G792 PolarHBondContact O-N 2.88Å; N790-G792 VanDerWaalsContact O-N 3.14Å; N790-G792 PolarHBondContact OD1-N 2.68Å; G792-I794 PolarHBondContact O-N 3.28Å; G792-L795 PolarHBondContact O-N 3.42Å; G792-Q796 VanDerWaalsContact O-CB 3.28Å; G792-Q796 WeakPolarHBondContact O-CB 3.46Å; G792-Q796 PolarHBondContact O-N 3.24Å |
| 793 | E | 48 | Very low | 49.7 | Very low | 123 Ų | 123 | 90.6 Ų | 90.6 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | -179.6 | -61.1 | 178.2 | 132.7 | 0 | 0 | 111.5 | N790 L791 Q796 T797 | N790-E793 PolarHBondContact O-N 2.97Å; N790-E793 VanDerWaalsContact O-N 3.16Å; L791-E793 PolarHBondContact O-N 2.83Å; E793-Q796 PolarHBondContact O-N 3.26Å; E793-T797 WeakPolarHBondContact O-CB 3.42Å; E793-T797 WeakPolarHBondContact O-CG2 3.38Å; E793-T797 PolarHBondContact O-N 2.82Å; E793-T797 PolarHBondContact O-OG1 2.03Å |
| 794 | I | 46.7 | Very low | 48.1 | Very low | 35 Ų | 35 | 98.6 Ų | 98.6 | 18% | 0.179 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.8 | -39 | 177.4 | -59.6 | 175.2 | 0 | 0 | 0 | 110.7 | P789 L791 G792 T797 R798 | P789-I794 HydrophobicContact CB-CD1 4.41Å; P789-I794 HydrophobicContact CG-CD1 4.13Å; L791-I794 HydrophobicContact CD1-CB 4.49Å; L791-I794 PolarHBondContact O-N 2.96Å; G792-I794 PolarHBondContact O-N 3.28Å; I794-T797 WeakPolarHBondContact CA-OG1 3.47Å; I794-T797 PolarHBondContact O-OG1 3.2Å; I794-R798 WeakPolarHBondContact O-CB 3.45Å; I794-R798 PolarHBondContact O-N 3.29Å |
| 795 | L | 46.7 | Very low | 47.2 | Very low | 88 Ų | 88 | 96.8 Ų | 96.8 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71 | -38.7 | 176 | -72.5 | 173 | 0 | 0 | 0 | 112.2 | L791 G792 R798 Q799 | L791-L795 HydrophobicContact CD1-CG 4.31Å; L791-L795 HydrophobicContact CD2-CD1 4.37Å; L791-L795 HydrophobicContact CG-CD1 3.91Å; L791-L795 HydrophobicContact CG-CG 4.12Å; L791-L795 WeakPolarHBondContact O-CB 3.49Å; L791-L795 WeakPolarHBondContact O-CG 3.47Å; L791-L795 PolarHBondContact O-N 3.06Å; G792-L795 PolarHBondContact O-N 3.42Å; L795-R798 PolarHBondContact O-N 3.05Å; L795-Q799 PolarHBondContact O-N 3.25Å |
| 796 | Q | 48.9 | Very low | 46.1 | Very low | 133 Ų | 133 | 92.3 Ų | 92.3 | 62% | 0.621 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -68.8 | -43.6 | 179.2 | -162.3 | 165.6 | 16.2 | 0 | 0 | 111.3 | G792 E793 R798 Q799 E800 | G792-Q796 VanDerWaalsContact O-CB 3.28Å; G792-Q796 WeakPolarHBondContact O-CB 3.46Å; G792-Q796 PolarHBondContact O-N 3.24Å; E793-Q796 PolarHBondContact O-N 3.26Å; Q796-R798 VanDerWaalsContact C-N 3.34Å; Q796-R798 PolarHBondContact O-N 3.4Å; Q796-Q799 PolarHBondContact O-N 3.47Å; Q796-E800 PolarHBondContact O-N 2.83Å |
| 797 | T | 48 | Very low | 45.7 | Very low | 60 Ų | 60 | 92.8 Ų | 92.8 | 37% | 0.368 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -30.5 | 170.3 | 50.9 | 0 | 0 | 0 | 0 | 113 | E793 I794 E800 M801 | E793-T797 WeakPolarHBondContact O-CB 3.42Å; E793-T797 WeakPolarHBondContact O-CG2 3.38Å; E793-T797 PolarHBondContact O-N 2.82Å; E793-T797 PolarHBondContact O-OG1 2.03Å; I794-T797 WeakPolarHBondContact CA-OG1 3.47Å; I794-T797 PolarHBondContact O-OG1 3.2Å; T797-E800 PolarHBondContact O-N 2.95Å; T797-M801 WeakPolarHBondContact O-CE 3.46Å; T797-M801 WeakPolarHBondContact O-CG 3.46Å; T797-M801 PolarHBondContact O-N 3.49Å |
| 798 | R | 46.4 | Very low | 44.9 | Very low | 50 Ų | 50 | 94.6 Ų | 94.6 | 19% | 0.189 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 170.6 | -109.6 | 177.9 | 160.4 | 164.7 | -5.5 | 112.9 | L578 I794 L795 Q796 E800 M801 I802 | L578-R798 PolarHBondContact O-NH1 3.27Å; L578-R798 VanDerWaalsContact O-NH1 3.15Å; L578-R798 PolarHBondContact O-NH2 2.88Å; I794-R798 WeakPolarHBondContact O-CB 3.45Å; I794-R798 PolarHBondContact O-N 3.29Å; L795-R798 PolarHBondContact O-N 3.05Å; Q796-R798 VanDerWaalsContact C-N 3.34Å; Q796-R798 PolarHBondContact O-N 3.4Å; R798-E800 VanDerWaalsContact C-N 3.31Å; R798-M801 PolarHBondContact O-N 2.98Å; R798-I802 WeakPolarHBondContact O-CB 3.46Å; R798-I802 VanDerWaalsContact O-CG1 3.3Å; R798-I802 WeakPolarHBondContact O-CG1 3.06Å; R798-I802 PolarHBondContact O-N 3.07Å |
| 799 | Q | 49.2 | Very low | 44.2 | Very low | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59 | -46.5 | 171.5 | -74.3 | -173 | -1.5 | 0 | 0 | 110 | L795 Q796 M801 I802 F803 | L795-Q799 PolarHBondContact O-N 3.25Å; Q796-Q799 PolarHBondContact O-N 3.47Å; Q799-M801 PolarHBondContact O-N 3.23Å; Q799-I802 PolarHBondContact O-N 3.1Å; Q799-F803 WeakPolarHBondContact O-CD2 3.35Å; Q799-F803 PolarHBondContact O-N 2.87Å |
| 800 | E | 46.6 | Very low | 43.7 | Very low | 93 Ų | 93 | 102.6 Ų | 102.6 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 175.6 | -77.8 | -151 | -140.6 | 0 | 0 | 114 | Q796 T797 R798 F803 R804 | Q796-E800 PolarHBondContact O-N 2.83Å; T797-E800 PolarHBondContact O-N 2.95Å; R798-E800 VanDerWaalsContact C-N 3.31Å; E800-F803 PolarHBondContact O-N 2.83Å; E800-R804 WeakPolarHBondContact O-CA 3.25Å; E800-R804 WeakPolarHBondContact O-CB 3.45Å; E800-R804 WeakPolarHBondContact O-CG 3.45Å; E800-R804 PolarHBondContact O-N 3.05Å; E800-R804 IonicContact OE2-CZ 3.6Å; E800-R804 IonicContact OE2-NE 2.76Å; E800-R804 PolarHBondContact OE2-NE 3.49Å; E800-R804 IonicContact OE2-NH2 2.66Å; E800-R804 PolarHBondContact OE2-NH2 3.22Å |
| 801 | M | 44.2 | Very low | 43.1 | Very low | 87 Ų | 87 | 105.9 Ų | 105.9 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.6 | -35.6 | 176.3 | -77.9 | -176.8 | -86.2 | 0 | 0 | 113 | T797 R798 Q799 T805 | T797-M801 WeakPolarHBondContact O-CE 3.46Å; T797-M801 WeakPolarHBondContact O-CG 3.46Å; T797-M801 PolarHBondContact O-N 3.49Å; R798-M801 PolarHBondContact O-N 2.98Å; Q799-M801 PolarHBondContact O-N 3.23Å; M801-T805 PolarHBondContact O-N 3Å; M801-T805 PolarHBondContact O-OG1 3.23Å |
| 802 | I | 48.2 | Very low | 42.6 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 65% | 0.651 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.7 | -31.9 | 175.2 | -66.6 | 167 | 0 | 0 | 0 | 111.2 | R798 Q799 T805 | R798-I802 WeakPolarHBondContact O-CB 3.46Å; R798-I802 VanDerWaalsContact O-CG1 3.3Å; R798-I802 WeakPolarHBondContact O-CG1 3.06Å; R798-I802 PolarHBondContact O-N 3.07Å; Q799-I802 PolarHBondContact O-N 3.1Å; I802-T805 PolarHBondContact O-OG1 2.82Å |
| 803 | F | 43.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 54% | 0.544 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -83.7 | -35 | 173.5 | -87.6 | -82.1 | 0 | 0 | 0 | 113.9 | Q799 E800 T805 G806 | Q799-F803 WeakPolarHBondContact O-CD2 3.35Å; Q799-F803 PolarHBondContact O-N 2.87Å; E800-F803 PolarHBondContact O-N 2.83Å; F803-T805 VanDerWaalsContact C-N 3.25Å; F803-T805 PolarHBondContact O-N 3.35Å; F803-G806 CarbonylContact O-C 3.5Å; F803-G806 PolarHBondContact O-N 2.67Å |
| 804 | R | 42.1 | Very low | 41.2 | Very low | 193 Ų | 193 | 113.9 Ų | 113.9 | 73% | 0.728 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.6 | -20.1 | -179.7 | -76 | 170.5 | -179.2 | -124 | 6 | 113 | E800 | E800-R804 WeakPolarHBondContact O-CA 3.25Å; E800-R804 WeakPolarHBondContact O-CB 3.45Å; E800-R804 WeakPolarHBondContact O-CG 3.45Å; E800-R804 PolarHBondContact O-N 3.05Å; E800-R804 IonicContact OE2-CZ 3.6Å; E800-R804 IonicContact OE2-NE 2.76Å; E800-R804 PolarHBondContact OE2-NE 3.49Å; E800-R804 IonicContact OE2-NH2 2.66Å; E800-R804 PolarHBondContact OE2-NH2 3.22Å |
| 805 | T | 42.6 | Very low | 40.6 | Very low | 103 Ų | 103 | 117.7 Ų | 117.7 | 63% | 0.632 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 3.1 | 168.7 | 44.2 | 0 | 0 | 0 | 0 | 113.5 | T736 M801 I802 F803 | T736-T805 HydrophobicContact CG2-CG2 4.06Å; M801-T805 PolarHBondContact O-N 3Å; M801-T805 PolarHBondContact O-OG1 3.23Å; I802-T805 PolarHBondContact O-OG1 2.82Å; F803-T805 VanDerWaalsContact C-N 3.25Å; F803-T805 PolarHBondContact O-N 3.35Å |
| 806 | G | 34 | Very low | 39.9 | Very low | 45 Ų | 45 | 118.4 Ų | 118.4 | 46% | 0.464 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -144.9 | 73.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | F803 | F803-G806 CarbonylContact O-C 3.5Å; F803-G806 PolarHBondContact O-N 2.67Å |
| 807 | V | 40.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 81% | 0.806 | 64% | 0.64 | S | S | * | * | trans | 54.6 | 115.7 | 166.1 | -173.7 | 0 | 0 | 0 | 0 | 116 | N809 | V807-N809 PolarHBondContact O-N 2.8Š| ||
| 808 | K | 34 | Very low | 38.4 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 87% | 0.865 | 66% | 0.661 | S | S | * | * | trans | -51.1 | 127.3 | 178.7 | -72.7 | -176.1 | 176.7 | -179.5 | 0 | 112.6 | ||||
| 809 | N | 32.6 | Very low | 37.8 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | trans | -62.6 | 131.9 | 172.2 | -67.2 | -55.2 | 0 | 0 | 0 | 112.1 | V807 | V807-N809 PolarHBondContact O-N 2.8Š| ||
| 810 | T | 35.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 77% | 0.767 | 69% | 0.691 | S | S | * | * | trans | -142.6 | 115.1 | 153.3 | 24.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 811 | L | 35.7 | Very low | 36.5 | Very low | 167 Ų | 167 | 131.2 Ų | 131.2 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | 68.2 | 151.7 | 162.7 | -79.2 | 74.9 | 0 | 0 | 0 | 120.3 | ||||
| 812 | Y | 35.7 | Very low | 36.1 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | trans | -93.6 | 154.1 | -176 | -78.7 | -121.6 | 0 | 0 | 0 | 111.6 | ||||
| 813 | G | 32.3 | Very low | 35.7 | Very low | 52 Ų | 52 | 132.1 Ų | 132.1 | 54% | 0.536 | 73% | 0.731 | S | S | . | * | trans | 126 | 89.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 814 | S | 31.7 | Very low | 35.6 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | 75.8 | 165.8 | 155.5 | -12 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 815 | P | 35.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -102.2 | 162.6 | -161.5 | 38.2 | -35.6 | 0 | 0 | 0 | 116.5 | ||||
| 816 | S | 31.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | trans | 100.7 | 125.2 | 153.5 | 78.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 817 | I | 33.7 | Very low | 39 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | 74.6 | 158.7 | 160.9 | -54.7 | 164.2 | 0 | 0 | 0 | 115.1 | ||||
| 818 | I | 33.2 | Very low | 40.5 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | 76.5 | 108.4 | -174.3 | -53.4 | 178.7 | 0 | 0 | 0 | 111.1 | ||||
| 819 | L | 32.9 | Very low | 42.2 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | cis | 69.1 | 109 | 37.4 | -155.8 | 71.9 | 0 | 0 | 0 | 110.9 | ||||
| 820 | E | 34.3 | Very low | 44.2 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | cis | -171.2 | -177.2 | 48.4 | -149.5 | 167.2 | -123.6 | 0 | 0 | 111.8 | ||||
| 821 | N | 33.5 | Very low | 46.3 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | 65 | 77.9 | 156.5 | -60.7 | -42.3 | 0 | 0 | 0 | 120.2 | ||||
| 822 | A | 36.6 | Very low | 48.4 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 87% | 0.868 | 67% | 0.673 | S | S | * | * | trans | -151.4 | 42.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 823 | T | 39 | Very low | 50.5 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -73.8 | 141.3 | 167.1 | 50.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 824 | T | 40.9 | Very low | 52.9 | Low | 133 Ų | 133 | 116 Ų | 116 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | cis | -139.2 | 102.9 | 47.6 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 825 | I | 53.2 | Low | 55.4 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | trans | -79 | 135.6 | 153.4 | -64.8 | 174.4 | 0 | 0 | 0 | 106.6 | A829 | I825-A829 HydrophobicContact CG2-CB 3.59Š| ||
| 826 | S | 67.2 | Low | 57.5 | Low | 59 Ų | 59 | 113.2 Ų | 113.2 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | trans | -64.6 | 152.2 | -178.3 | 78.3 | 0 | 0 | 0 | 0 | 111.6 | E828 A829 Y830 | S826-E828 PolarHBondContact O-N 3.44Å; S826-A829 PolarHBondContact O-N 3.43Å; S826-A829 PolarHBondContact OG-N 2.81Å; S826-A829 VanDerWaalsContact OG-N 3.12Å; S826-Y830 PolarHBondContact O-N 3.14Å | ||
| 827 | N | 69.7 | Low | 60.2 | Low | 141 Ų | 141 | 110.2 Ų | 110.2 | 75% | 0.754 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -56.3 | -32.9 | 175.3 | -75.2 | -17.7 | 0 | 0 | 0 | 111.7 | T831 | N827-T831 VanDerWaalsContact O-CB 3.26Å; N827-T831 WeakPolarHBondContact O-CB 3.47Å; N827-T831 PolarHBondContact O-N 3.46Å; N827-T831 PolarHBondContact O-OG1 2.85Å |
| 828 | E | 72.9 | Confident | 62.6 | Low | 149 Ų | 149 | 107.2 Ų | 107.2 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.1 | -48.9 | 175.1 | -57 | 170.5 | 139.2 | 0 | 0 | 111.2 | S826 Y830 T831 L832 | S826-E828 PolarHBondContact O-N 3.44Å; E828-Y830 PolarHBondContact O-N 3.16Å; E828-T831 CarbonylContact O-C 3.57Å; E828-T831 WeakPolarHBondContact O-CB 3.32Å; E828-T831 PolarHBondContact O-N 2.7Å; E828-L832 WeakPolarHBondContact O-CB 3.31Å; E828-L832 WeakPolarHBondContact O-CG 3.28Å; E828-L832 PolarHBondContact O-N 3.34Å |
| 829 | A | 70.3 | Confident | 64.9 | Low | 34 Ų | 34 | 102.8 Ų | 102.8 | 28% | 0.281 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.7 | -38.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I825 S826 L832 I833 | I825-A829 HydrophobicContact CG2-CB 3.59Å; S826-A829 PolarHBondContact O-N 3.43Å; S826-A829 PolarHBondContact OG-N 2.81Å; S826-A829 VanDerWaalsContact OG-N 3.12Å; A829-L832 PolarHBondContact O-N 3.13Å; A829-I833 VanDerWaalsContact O-CG1 3.29Å; A829-I833 WeakPolarHBondContact O-CG1 3.43Å; A829-I833 PolarHBondContact O-N 3.25Å |
| 830 | Y | 74.1 | Confident | 67.2 | Low | 143 Ų | 143 | 98.3 Ų | 98.3 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 172.9 | -166.8 | -107.3 | 0 | 0 | 0 | 111.7 | S826 E828 I833 I834 | S826-Y830 PolarHBondContact O-N 3.14Å; E828-Y830 PolarHBondContact O-N 3.16Å; Y830-I833 PolarHBondContact O-N 3.4Å; Y830-I834 HydrophobicContact CD1-CD1 3.77Å; Y830-I834 HydrophobicContact CE1-CD1 3.4Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.4Å; Y830-I834 HydrophobicContact CE1-CG1 4.41Å; Y830-I834 WeakPolarHBondContact O-CG1 3.35Å; Y830-I834 PolarHBondContact O-N 2.82Å |
| 831 | T | 79.5 | Confident | 69.6 | Low | 76 Ų | 76 | 96.4 Ų | 96.4 | 47% | 0.466 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.4 | -40.4 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | N827 E828 I834 L835 | N827-T831 VanDerWaalsContact O-CB 3.26Å; N827-T831 WeakPolarHBondContact O-CB 3.47Å; N827-T831 PolarHBondContact O-N 3.46Å; N827-T831 PolarHBondContact O-OG1 2.85Å; E828-T831 CarbonylContact O-C 3.57Å; E828-T831 WeakPolarHBondContact O-CB 3.32Å; E828-T831 PolarHBondContact O-N 2.7Å; T831-I834 PolarHBondContact O-N 2.95Å; T831-L835 HydrophobicContact CG2-CD1 3.94Å; T831-L835 HydrophobicContact CG2-CG 4.34Å; T831-L835 WeakPolarHBondContact O-CB 3.28Å; T831-L835 VanDerWaalsContact O-CG 3.25Å; T831-L835 WeakPolarHBondContact O-CG 3.42Å; T831-L835 PolarHBondContact O-N 3.11Å |
| 832 | L | 78.8 | Confident | 72.1 | Confident | 114 Ų | 114 | 92.9 Ų | 92.9 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.8 | -40.7 | 175.7 | -74.8 | 169.4 | 0 | 0 | 0 | 112.3 | E828 A829 L835 A836 | E828-L832 WeakPolarHBondContact O-CB 3.31Å; E828-L832 WeakPolarHBondContact O-CG 3.28Å; E828-L832 PolarHBondContact O-N 3.34Å; A829-L832 PolarHBondContact O-N 3.13Å; L832-L835 PolarHBondContact O-N 2.98Å; L832-A836 VanDerWaalsContact O-CB 3.27Å; L832-A836 WeakPolarHBondContact O-CB 3.22Å; L832-A836 PolarHBondContact O-N 2.82Å |
| 833 | I | 79.8 | Confident | 74.2 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.3 | -69.8 | 164.2 | 0 | 0 | 0 | 110.6 | A829 Y830 A836 G837 | A829-I833 VanDerWaalsContact O-CG1 3.29Å; A829-I833 WeakPolarHBondContact O-CG1 3.43Å; A829-I833 PolarHBondContact O-N 3.25Å; Y830-I833 PolarHBondContact O-N 3.4Å; I833-A836 PolarHBondContact O-N 3.29Å; I833-G837 PolarHBondContact O-N 3.01Å |
| 834 | I | 83.8 | Confident | 76.3 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.6 | -74.6 | 176.1 | 0 | 0 | 0 | 111.2 | Y830 T831 G837 I838 | Y830-I834 HydrophobicContact CD1-CD1 3.77Å; Y830-I834 HydrophobicContact CE1-CD1 3.4Å; Y830-I834 VanDerWaalsContact CE1-CD1 3.4Å; Y830-I834 HydrophobicContact CE1-CG1 4.41Å; Y830-I834 WeakPolarHBondContact O-CG1 3.35Å; Y830-I834 PolarHBondContact O-N 2.82Å; T831-I834 PolarHBondContact O-N 2.95Å; I834-G837 PolarHBondContact O-N 2.83Å; I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.37Å; I834-I838 WeakPolarHBondContact O-CB 3.42Å; I834-I838 VanDerWaalsContact O-CG1 3.27Å; I834-I838 WeakPolarHBondContact O-CG1 3.48Å; I834-I838 PolarHBondContact O-N 2.91Å |
| 835 | L | 83.6 | Confident | 78.4 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.6 | -76.2 | 169.7 | 0 | 0 | 0 | 112 | T831 L832 I838 A839 | T831-L835 HydrophobicContact CG2-CD1 3.94Å; T831-L835 HydrophobicContact CG2-CG 4.34Å; T831-L835 WeakPolarHBondContact O-CB 3.28Å; T831-L835 VanDerWaalsContact O-CG 3.25Å; T831-L835 WeakPolarHBondContact O-CG 3.42Å; T831-L835 PolarHBondContact O-N 3.11Å; L832-L835 PolarHBondContact O-N 2.98Å; L835-I838 PolarHBondContact O-N 3.01Å; L835-A839 WeakPolarHBondContact O-CB 3.33Å; L835-A839 PolarHBondContact O-N 3.15Å |
| 836 | A | 79.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 88.7 Ų | 88.7 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L832 I833 A839 A840 | L832-A836 VanDerWaalsContact O-CB 3.27Å; L832-A836 WeakPolarHBondContact O-CB 3.22Å; L832-A836 PolarHBondContact O-N 2.82Å; I833-A836 PolarHBondContact O-N 3.29Å; A836-A839 PolarHBondContact O-N 3.33Å; A836-A840 WeakPolarHBondContact O-CB 3.18Å; A836-A840 PolarHBondContact O-N 3.47Å |
| 837 | G | 86.6 | Confident | 80.5 | Confident | 40 Ų | 40 | 87 Ų | 87 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I833 I834 A840 L841 | I833-G837 PolarHBondContact O-N 3.01Å; I834-G837 PolarHBondContact O-N 2.83Å; G837-A840 PolarHBondContact O-N 3.34Å; G837-L841 VanDerWaalsContact O-CB 3.24Å; G837-L841 WeakPolarHBondContact O-CB 3.31Å; G837-L841 PolarHBondContact O-N 2.79Å |
| 838 | I | 85.4 | Confident | 81.2 | Confident | 95 Ų | 95 | 84.4 Ų | 84.4 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.1 | -70.1 | 169 | 0 | 0 | 0 | 110.7 | I834 L835 L841 C842 | I834-I838 HydrophobicContact CG2-CD1 3.63Å; I834-I838 HydrophobicContact CG2-CG1 4.37Å; I834-I838 WeakPolarHBondContact O-CB 3.42Å; I834-I838 VanDerWaalsContact O-CG1 3.27Å; I834-I838 WeakPolarHBondContact O-CG1 3.48Å; I834-I838 PolarHBondContact O-N 2.91Å; L835-I838 PolarHBondContact O-N 3.01Å; I838-L841 PolarHBondContact O-N 3.15Å; I838-C842 VanDerWaalsContact O-CB 3.26Å; I838-C842 WeakPolarHBondContact O-CB 3.27Å; I838-C842 PolarHBondContact O-N 2.72Å; I838-C842 PolarHBondContact O-SG 3.09Å; I838-C842 VanDerWaalsContact O-SG 3.33Å |
| 839 | A | 81.7 | Confident | 81.7 | Confident | 62 Ų | 62 | 82.1 Ų | 82.1 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | L835 A836 C842 F843 | L835-A839 WeakPolarHBondContact O-CB 3.33Å; L835-A839 PolarHBondContact O-N 3.15Å; A836-A839 PolarHBondContact O-N 3.33Å; A839-C842 PolarHBondContact O-N 2.9Å; A839-F843 WeakPolarHBondContact O-CB 3.31Å; A839-F843 PolarHBondContact O-N 3.19Å |
| 840 | A | 80.9 | Confident | 82.3 | Confident | 53 Ų | 53 | 83.4 Ų | 83.4 | 44% | 0.438 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | A836 G837 F843 I844 | A836-A840 WeakPolarHBondContact O-CB 3.18Å; A836-A840 PolarHBondContact O-N 3.47Å; G837-A840 PolarHBondContact O-N 3.34Å; A840-F843 PolarHBondContact O-N 3.18Å; A840-I844 VanDerWaalsContact O-CG1 3.3Å; A840-I844 WeakPolarHBondContact O-CG1 3.36Å; A840-I844 PolarHBondContact O-N 3.01Å |
| 841 | L | 85.2 | Confident | 82.6 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 179.2 | -165.8 | 151.8 | 0 | 0 | 0 | 111.6 | G837 I838 I844 I845 | G837-L841 VanDerWaalsContact O-CB 3.24Å; G837-L841 WeakPolarHBondContact O-CB 3.31Å; G837-L841 PolarHBondContact O-N 2.79Å; I838-L841 PolarHBondContact O-N 3.15Å; L841-I844 PolarHBondContact O-N 3.34Å; L841-I845 HydrophobicContact CD2-CD1 3.56Å; L841-I845 HydrophobicContact CD2-CG1 4.31Å; L841-I845 WeakPolarHBondContact O-CG1 3.32Å; L841-I845 PolarHBondContact O-N 3.48Å |
| 842 | C | 84.9 | Confident | 82.6 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 170.1 | -77.8 | 0 | 0 | 0 | 0 | 112.2 | I838 A839 I844 I845 I846 | I838-C842 VanDerWaalsContact O-CB 3.26Å; I838-C842 WeakPolarHBondContact O-CB 3.27Å; I838-C842 PolarHBondContact O-N 2.72Å; I838-C842 PolarHBondContact O-SG 3.09Å; I838-C842 VanDerWaalsContact O-SG 3.33Å; A839-C842 PolarHBondContact O-N 2.9Å; C842-I844 VanDerWaalsContact C-N 3.32Å; C842-I844 PolarHBondContact O-N 3.25Å; C842-I845 PolarHBondContact O-N 3.12Å; C842-I846 WeakPolarHBondContact O-CB 3.34Å; C842-I846 VanDerWaalsContact O-CG1 3.27Å; C842-I846 WeakPolarHBondContact O-CG1 3.29Å; C842-I846 PolarHBondContact O-N 3.3Å |
| 843 | F | 80.6 | Confident | 82.8 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.7 | -160.6 | -85.4 | 0 | 0 | 0 | 111.9 | A839 A840 S847 L903 | A839-F843 WeakPolarHBondContact O-CB 3.31Å; A839-F843 PolarHBondContact O-N 3.19Å; A840-F843 PolarHBondContact O-N 3.18Å; F843-S847 VanDerWaalsContact O-CB 3.31Å; F843-S847 WeakPolarHBondContact O-CB 3.33Å; F843-S847 PolarHBondContact O-N 2.71Å; F843-S847 PolarHBondContact O-OG 3.21Å; F843-L903 HydrophobicContact CE1-CD2 4.41Å |
| 844 | I | 83.7 | Confident | 82.5 | Confident | 100 Ų | 100 | 78 Ų | 78 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -48.8 | 172.2 | -69.4 | 164 | 0 | 0 | 0 | 110.8 | A840 L841 C842 S847 I848 | A840-I844 VanDerWaalsContact O-CG1 3.3Å; A840-I844 WeakPolarHBondContact O-CG1 3.36Å; A840-I844 PolarHBondContact O-N 3.01Å; L841-I844 PolarHBondContact O-N 3.34Å; C842-I844 VanDerWaalsContact C-N 3.32Å; C842-I844 PolarHBondContact O-N 3.25Å; I844-S847 WeakPolarHBondContact O-CB 3.5Å; I844-S847 PolarHBondContact O-N 2.98Å; I844-I848 HydrophobicContact CG2-CD1 3.82Å; I844-I848 VanDerWaalsContact O-CG1 3.31Å; I844-I848 WeakPolarHBondContact O-CG1 3.09Å; I844-I848 PolarHBondContact O-N 2.85Å |
| 845 | I | 85 | Confident | 82.3 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 44% | 0.436 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 178.3 | -72.5 | 175.8 | 0 | 0 | 0 | 111.6 | L841 C842 S847 I848 I849 | L841-I845 HydrophobicContact CD2-CD1 3.56Å; L841-I845 HydrophobicContact CD2-CG1 4.31Å; L841-I845 WeakPolarHBondContact O-CG1 3.32Å; L841-I845 PolarHBondContact O-N 3.48Å; C842-I845 PolarHBondContact O-N 3.12Å; I845-S847 VanDerWaalsContact C-N 3.33Å; I845-S847 PolarHBondContact O-N 2.9Å; I845-I848 PolarHBondContact O-N 3Å; I845-I849 HydrophobicContact CG2-CD1 3.78Å; I845-I849 HydrophobicContact CG2-CG1 4.47Å; I845-I849 WeakPolarHBondContact O-CG1 3.38Å; I845-I849 PolarHBondContact O-N 3.01Å |
| 846 | I | 84.3 | Confident | 81.9 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 178.7 | -70.8 | 165.7 | 0 | 0 | 0 | 110.3 | C842 I848 I849 I850 | C842-I846 WeakPolarHBondContact O-CB 3.34Å; C842-I846 VanDerWaalsContact O-CG1 3.27Å; C842-I846 WeakPolarHBondContact O-CG1 3.29Å; C842-I846 PolarHBondContact O-N 3.3Å; I846-I848 PolarHBondContact O-N 3.1Å; I846-I849 PolarHBondContact O-N 3.11Å; I846-I850 HydrophobicContact CG2-CD1 3.85Å; I846-I850 HydrophobicContact CG2-CG1 4.49Å; I846-I850 WeakPolarHBondContact O-CG1 2.93Å; I846-I850 PolarHBondContact O-N 3.03Å |
| 847 | S | 80.8 | Confident | 81.6 | Confident | 23 Ų | 23 | 82.4 Ų | 82.4 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 174 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F843 I844 I845 I849 I850 I851 | F843-S847 VanDerWaalsContact O-CB 3.31Å; F843-S847 WeakPolarHBondContact O-CB 3.33Å; F843-S847 PolarHBondContact O-N 2.71Å; F843-S847 PolarHBondContact O-OG 3.21Å; I844-S847 WeakPolarHBondContact O-CB 3.5Å; I844-S847 PolarHBondContact O-N 2.98Å; I845-S847 VanDerWaalsContact C-N 3.33Å; I845-S847 PolarHBondContact O-N 2.9Å; S847-I849 VanDerWaalsContact C-N 3.32Å; S847-I849 PolarHBondContact O-N 2.99Å; S847-I850 PolarHBondContact O-N 2.87Å; S847-I851 WeakPolarHBondContact O-CB 3.42Å; S847-I851 VanDerWaalsContact O-CD1 3.31Å; S847-I851 WeakPolarHBondContact O-CD1 3.2Å; S847-I851 WeakPolarHBondContact O-CG1 3.42Å; S847-I851 PolarHBondContact O-N 3.21Å |
| 848 | I | 82.9 | Confident | 80.9 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 177 | -69.4 | 165.2 | 0 | 0 | 0 | 111.7 | I844 I845 I846 I851 I852 | I844-I848 HydrophobicContact CG2-CD1 3.82Å; I844-I848 VanDerWaalsContact O-CG1 3.31Å; I844-I848 WeakPolarHBondContact O-CG1 3.09Å; I844-I848 PolarHBondContact O-N 2.85Å; I845-I848 PolarHBondContact O-N 3Å; I846-I848 PolarHBondContact O-N 3.1Å; I848-I851 WeakPolarHBondContact O-CB 3.23Å; I848-I851 PolarHBondContact O-N 3.02Å; I848-I852 HydrophobicContact CG2-CD1 3.75Å; I848-I852 HydrophobicContact CG2-CG1 4.47Å; I848-I852 WeakPolarHBondContact O-CB 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.41Å; I848-I852 PolarHBondContact O-N 3.3Å |
| 849 | I | 83.6 | Confident | 80 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 52% | 0.523 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 177.2 | -68.8 | 167 | 0 | 0 | 0 | 111.4 | I845 I846 S847 I851 I852 W853 | I845-I849 HydrophobicContact CG2-CD1 3.78Å; I845-I849 HydrophobicContact CG2-CG1 4.47Å; I845-I849 WeakPolarHBondContact O-CG1 3.38Å; I845-I849 PolarHBondContact O-N 3.01Å; I846-I849 PolarHBondContact O-N 3.11Å; S847-I849 VanDerWaalsContact C-N 3.32Å; S847-I849 PolarHBondContact O-N 2.99Å; I849-I851 VanDerWaalsContact C-N 3.31Å; I849-I851 PolarHBondContact O-N 3.01Å; I849-I852 PolarHBondContact O-N 2.8Å; I849-W853 WeakPolarHBondContact O-CB 3.4Å; I849-W853 PolarHBondContact O-N 2.64Å |
| 850 | I | 82.2 | Confident | 79.4 | Confident | 61 Ų | 61 | 94 Ų | 94 | 31% | 0.313 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 175.8 | -69.7 | 167.7 | 0 | 0 | 0 | 110.5 | I846 S847 W853 L854 | I846-I850 HydrophobicContact CG2-CD1 3.85Å; I846-I850 HydrophobicContact CG2-CG1 4.49Å; I846-I850 WeakPolarHBondContact O-CG1 2.93Å; I846-I850 PolarHBondContact O-N 3.03Å; S847-I850 PolarHBondContact O-N 2.87Å; I850-W853 PolarHBondContact O-N 2.85Å; I850-L854 HydrophobicContact CG2-CD1 4.01Å; I850-L854 WeakPolarHBondContact O-CB 3.03Å; I850-L854 WeakPolarHBondContact O-CG 3.42Å; I850-L854 PolarHBondContact O-N 3.25Å |
| 851 | I | 80.6 | Confident | 78.3 | Confident | 16 Ų | 16 | 96.5 Ų | 96.5 | 8% | 0.082 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 176.6 | -69.1 | 163.3 | 0 | 0 | 0 | 111.1 | S847 I848 I849 W853 L854 C855 F904 T905 | S847-I851 WeakPolarHBondContact O-CB 3.42Å; S847-I851 VanDerWaalsContact O-CD1 3.31Å; S847-I851 WeakPolarHBondContact O-CD1 3.2Å; S847-I851 WeakPolarHBondContact O-CG1 3.42Å; S847-I851 PolarHBondContact O-N 3.21Å; I848-I851 WeakPolarHBondContact O-CB 3.23Å; I848-I851 PolarHBondContact O-N 3.02Å; I849-I851 VanDerWaalsContact C-N 3.31Å; I849-I851 PolarHBondContact O-N 3.01Å; I851-W853 VanDerWaalsContact C-N 3.33Å; I851-W853 PolarHBondContact O-N 2.78Å; I851-L854 PolarHBondContact O-N 3.03Å; I851-C855 WeakPolarHBondContact O-CB 3.37Å; I851-C855 PolarHBondContact O-N 3.15Å; I851-C855 PolarHBondContact O-SG 3.21Å; I851-C855 VanDerWaalsContact O-SG 3.42Å; I851-F904 WeakPolarHBondContact CG1-O 3.32Å; I851-T905 VanDerWaalsContact CD1-C 3.43Å; I851-T905 WeakPolarHBondContact CD1-O 3.41Å; I851-T905 VanDerWaalsContact CG1-C 3.42Å |
| 852 | I | 79.9 | Confident | 76.9 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 178 | -71.7 | 166.9 | 0 | 0 | 0 | 110.4 | I848 I849 C855 I856 | I848-I852 HydrophobicContact CG2-CD1 3.75Å; I848-I852 HydrophobicContact CG2-CG1 4.47Å; I848-I852 WeakPolarHBondContact O-CB 3.34Å; I848-I852 VanDerWaalsContact O-CG1 3.27Å; I848-I852 WeakPolarHBondContact O-CG1 3.41Å; I848-I852 PolarHBondContact O-N 3.3Å; I849-I852 PolarHBondContact O-N 2.8Å; I852-C855 PolarHBondContact O-N 3.38Å; I852-I856 HydrophobicContact CG2-CD1 3.75Å; I852-I856 HydrophobicContact CG2-CG1 4.45Å; I852-I856 WeakPolarHBondContact O-CB 3.47Å; I852-I856 VanDerWaalsContact O-CG1 3.29Å; I852-I856 WeakPolarHBondContact O-CG1 3.48Å; I852-I856 PolarHBondContact O-N 3.36Å |
| 853 | W | 83.2 | Confident | 75.3 | Confident | 144 Ų | 144 | 102.1 Ų | 102.1 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 178.1 | -176.4 | 90.1 | 0 | 0 | 0 | 112.5 | I849 I850 I851 I856 R857 | I849-W853 WeakPolarHBondContact O-CB 3.4Å; I849-W853 PolarHBondContact O-N 2.64Å; I850-W853 PolarHBondContact O-N 2.85Å; I851-W853 VanDerWaalsContact C-N 3.33Å; I851-W853 PolarHBondContact O-N 2.78Å; W853-I856 PolarHBondContact O-N 3.26Å; W853-R857 VanDerWaalsContact CZ2-NH1 3.26Å; W853-R857 VanDerWaalsContact O-CB 3.3Å; W853-R857 WeakPolarHBondContact O-CB 3.38Å; W853-R857 PolarHBondContact O-N 3.31Å |
| 854 | L | 74.1 | Confident | 73.9 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 38% | 0.382 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 173.7 | -74.4 | 171.4 | 0 | 0 | 0 | 111.8 | I850 I851 R857 L858 | I850-L854 HydrophobicContact CG2-CD1 4.01Å; I850-L854 WeakPolarHBondContact O-CB 3.03Å; I850-L854 WeakPolarHBondContact O-CG 3.42Å; I850-L854 PolarHBondContact O-N 3.25Å; I851-L854 PolarHBondContact O-N 3.03Å; L854-R857 PolarHBondContact O-N 2.92Å; L854-L858 WeakPolarHBondContact O-CB 3.19Å; L854-L858 VanDerWaalsContact O-CG 3.31Å; L854-L858 WeakPolarHBondContact O-CG 3.45Å; L854-L858 PolarHBondContact O-N 3.07Å |
| 855 | C | 79.1 | Confident | 72 | Confident | 70 Ų | 70 | 104 Ų | 104 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 174.9 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | I851 I852 L858 K859 | I851-C855 WeakPolarHBondContact O-CB 3.37Å; I851-C855 PolarHBondContact O-N 3.15Å; I851-C855 PolarHBondContact O-SG 3.21Å; I851-C855 VanDerWaalsContact O-SG 3.42Å; I852-C855 PolarHBondContact O-N 3.38Å; C855-L858 PolarHBondContact O-N 2.77Å; C855-K859 WeakPolarHBondContact O-CB 3.36Å; C855-K859 PolarHBondContact O-N 3.1Å |
| 856 | I | 75.5 | Confident | 70.1 | Confident | 103 Ų | 103 | 107.5 Ų | 107.5 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.2 | -70.6 | 167.5 | 0 | 0 | 0 | 110.5 | I852 W853 L858 K859 R860 | I852-I856 HydrophobicContact CG2-CD1 3.75Å; I852-I856 HydrophobicContact CG2-CG1 4.45Å; I852-I856 WeakPolarHBondContact O-CB 3.47Å; I852-I856 VanDerWaalsContact O-CG1 3.29Å; I852-I856 WeakPolarHBondContact O-CG1 3.48Å; I852-I856 PolarHBondContact O-N 3.36Å; W853-I856 PolarHBondContact O-N 3.26Å; I856-L858 PolarHBondContact O-N 2.93Å; I856-K859 PolarHBondContact O-N 3.32Å; I856-R860 VanDerWaalsContact O-CB 3.24Å; I856-R860 WeakPolarHBondContact O-CB 3.38Å; I856-R860 PolarHBondContact O-N 3.2Å |
| 857 | R | 74.3 | Confident | 68.1 | Low | 156 Ų | 156 | 107.6 Ų | 107.6 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 179.7 | -168.1 | 168.3 | 179.2 | 141.1 | -2.3 | 111.4 | W853 L854 N861 | W853-R857 VanDerWaalsContact CZ2-NH1 3.26Å; W853-R857 VanDerWaalsContact O-CB 3.3Å; W853-R857 WeakPolarHBondContact O-CB 3.38Å; W853-R857 PolarHBondContact O-N 3.31Å; L854-R857 PolarHBondContact O-N 2.92Å; R857-N861 WeakPolarHBondContact O-CB 3.12Å; R857-N861 PolarHBondContact O-N 3.17Å |
| 858 | L | 69.9 | Low | 66.3 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -44.5 | 175 | -72 | 169.3 | 0 | 0 | 0 | 112.6 | L854 C855 I856 N861 K862 | L854-L858 WeakPolarHBondContact O-CB 3.19Å; L854-L858 VanDerWaalsContact O-CG 3.31Å; L854-L858 WeakPolarHBondContact O-CG 3.45Å; L854-L858 PolarHBondContact O-N 3.07Å; C855-L858 PolarHBondContact O-N 2.77Å; I856-L858 PolarHBondContact O-N 2.93Å; L858-N861 PolarHBondContact O-N 3.21Å; L858-K862 PolarHBondContact O-N 2.63Å; L858-K862 VanDerWaalsContact O-N 3.13Å |
| 859 | K | 68.4 | Low | 64.4 | Low | 150 Ų | 150 | 111 Ų | 111 | 65% | 0.652 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 177.3 | -167.7 | 173.8 | -177.5 | 179.4 | 0 | 111.6 | C855 I856 N861 K862 H863 | C855-K859 WeakPolarHBondContact O-CB 3.36Å; C855-K859 PolarHBondContact O-N 3.1Å; I856-K859 PolarHBondContact O-N 3.32Å; K859-N861 VanDerWaalsContact C-N 3.35Å; K859-N861 PolarHBondContact O-N 2.96Å; K859-K862 PolarHBondContact O-N 2.95Å; K859-H863 PolarHBondContact O-N 3.44Å; K859-H863 VanDerWaalsContact O-N 3.13Å |
| 860 | R | 69.3 | Low | 62.2 | Low | 169 Ų | 169 | 111 Ų | 111 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.1 | -33.2 | 175.6 | -167.3 | 169.6 | -178.4 | 166.3 | 1.4 | 112.3 | I856 H863 H864 | I856-R860 VanDerWaalsContact O-CB 3.24Å; I856-R860 WeakPolarHBondContact O-CB 3.38Å; I856-R860 PolarHBondContact O-N 3.2Å; R860-H863 PolarHBondContact O-N 3.26Å; R860-H864 PolarHBondContact O-N 2.85Å |
| 861 | N | 57.2 | Low | 60.1 | Low | 105 Ų | 105 | 112.8 Ų | 112.8 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.2 | -27.3 | 175.3 | -144.8 | 0 | 0 | 0 | 0 | 112.8 | R857 L858 K859 | R857-N861 WeakPolarHBondContact O-CB 3.12Å; R857-N861 PolarHBondContact O-N 3.17Å; L858-N861 PolarHBondContact O-N 3.21Å; K859-N861 VanDerWaalsContact C-N 3.35Å; K859-N861 PolarHBondContact O-N 2.96Å |
| 862 | K | 54.8 | Low | 58.1 | Low | 170 Ų | 170 | 118.4 Ų | 118.4 | 74% | 0.739 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.2 | -48.8 | 165.9 | -76 | -165.7 | 173.4 | -172.1 | 0 | 111.7 | L858 K859 H864 K865 | L858-K862 PolarHBondContact O-N 2.63Å; L858-K862 VanDerWaalsContact O-N 3.13Å; K859-K862 PolarHBondContact O-N 2.95Å; K862-H864 PolarHBondContact O-N 3.04Å; K862-K865 PolarHBondContact O-N 2.82Å |
| 863 | H | 52.4 | Low | 56 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 51% | 0.514 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.9 | -39.3 | 178.9 | -90.4 | -85.6 | 0 | 0 | 0 | 113.8 | K859 R860 K865 H866 I867 | K859-H863 PolarHBondContact O-N 3.44Å; K859-H863 VanDerWaalsContact O-N 3.13Å; R860-H863 PolarHBondContact O-N 3.26Å; H863-K865 PolarHBondContact O-N 2.81Å; H863-K865 VanDerWaalsContact O-N 3.15Å; H863-H866 PolarHBondContact O-N 2.67Å; H863-I867 HydrophobicContact CB-CD1 4.46Å; H863-I867 PolarHBondContact O-N 3.06Å |
| 864 | H | 49.9 | Very low | 53.8 | Low | 81 Ų | 81 | 126.1 Ų | 126.1 | 38% | 0.375 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.4 | -10.9 | 177.1 | -92.3 | -59.7 | 0 | 0 | 0 | 114.7 | R860 K862 I868 | R860-H864 PolarHBondContact O-N 2.85Å; K862-H864 PolarHBondContact O-N 3.04Å; H864-I868 WeakPolarHBondContact O-CD1 3.39Å |
| 865 | K | 45.6 | Very low | 52.1 | Low | 170 Ų | 170 | 134.5 Ų | 134.5 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -82.4 | -19.2 | 167.4 | -85.1 | -174.9 | 172.6 | 179.1 | 0 | 113.7 | K862 H863 | K862-K865 PolarHBondContact O-N 2.82Å; H863-K865 PolarHBondContact O-N 2.81Å; H863-K865 VanDerWaalsContact O-N 3.15Å |
| 866 | H | 44.2 | Very low | 49.9 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 73% | 0.731 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -98.1 | -24.9 | -179.2 | -115.1 | -77.5 | 0 | 0 | 0 | 114.5 | H863 | H863-H866 PolarHBondContact O-N 2.67Å |
| 867 | I | 42.9 | Very low | 48.2 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 51% | 0.513 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -89.9 | -16.7 | -172.6 | -67.3 | 171 | 0 | 0 | 0 | 113.2 | H863 S870 | H863-I867 HydrophobicContact CB-CD1 4.46Å; H863-I867 PolarHBondContact O-N 3.06Å; I867-S870 PolarHBondContact O-OG 2.78Å |
| 868 | I | 42.7 | Very low | 46.3 | Very low | 76 Ų | 76 | 145.8 Ų | 145.8 | 39% | 0.39 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.1 | -0.2 | -170 | -64.3 | 179 | 0 | 0 | 0 | 113.3 | H864 R1223 | H864-I868 WeakPolarHBondContact O-CD1 3.39Å; I868-R1223 VanDerWaalsContact CD1-NH2 3.34Å |
| 869 | S | 42.1 | Very low | 44.7 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -3.3 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 870 | S | 37.1 | Very low | 43.3 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -112.2 | -8.1 | -169.4 | 57.6 | 0 | 0 | 0 | 0 | 116.8 | I867 | I867-S870 PolarHBondContact O-OG 2.78Š|
| 871 | S | 39 | Very low | 41.6 | Very low | 98 Ų | 98 | 154.7 Ų | 154.7 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | -116.2 | 50.6 | -166.7 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 872 | V | 38.2 | Very low | 40.7 | Very low | 133 Ų | 133 | 157.2 Ų | 157.2 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -113.8 | 55.6 | -178.2 | -163.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 873 | K | 36.9 | Very low | 39.5 | Very low | 206 Ų | 206 | 157 Ų | 157 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -131.3 | -14 | 173.3 | -86 | -167.6 | 173 | -174.4 | 0 | 117.3 | ||
| 874 | H | 37.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 161.6 Ų | 161.6 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -114.2 | 5.4 | -159.3 | -116.8 | -70.6 | 0 | 0 | 0 | 119.2 | ||
| 875 | R | 36.6 | Very low | 37.4 | Very low | 249 Ų | 249 | 164.7 Ų | 164.7 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -121.6 | 27.3 | -167.9 | -139.3 | 176.3 | -168.2 | -175.8 | 2.8 | 116.9 | ||||
| 876 | K | 34.1 | Very low | 36.7 | Very low | 212 Ų | 212 | 160.3 Ų | 160.3 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -95.1 | 8.4 | -171 | -131.4 | -176.8 | -176.1 | -173.6 | 0 | 116.4 | ||
| 877 | L | 38.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -125.4 | -15.3 | -163.8 | -108.8 | 164.3 | 0 | 0 | 0 | 118.2 | ||
| 878 | F | 36.3 | Very low | 35.2 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -95.5 | -53.9 | -161.3 | -145.1 | -109.9 | 0 | 0 | 0 | 116.8 | R880 | F878-R880 PolarHBondContact O-N 3.29Å; F878-R880 VanDerWaalsContact O-N 3.14Å |
| 879 | N | 36.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 159 Ų | 159 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -91.6 | 37 | -162.9 | -75.7 | 24 | 0 | 0 | 0 | 115.9 | R881 | N879-R881 PolarHBondContact O-N 3Å; N879-R881 VanDerWaalsContact O-N 3.11Å | ||
| 880 | R | 37.6 | Very low | 34 | Very low | 250 Ų | 250 | 159.3 Ų | 159.3 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 27 | 178.3 | -147.7 | 178.8 | -168.7 | -179.2 | 1.8 | 113.5 | F878 | F878-R880 PolarHBondContact O-N 3.29Å; F878-R880 VanDerWaalsContact O-N 3.14Å |
| 881 | R | 35 | Very low | 33.4 | Very low | 238 Ų | 238 | 161.6 Ų | 161.6 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.8 | -2.1 | -162.4 | -96.9 | -174.1 | 174.5 | -179.8 | -1.8 | 118.2 | N879 | N879-R881 PolarHBondContact O-N 3Å; N879-R881 VanDerWaalsContact O-N 3.11Å |
| 882 | L | 36.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 161.8 Ų | 161.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -127.5 | 93 | -179 | -77.8 | 168.5 | 0 | 0 | 0 | 111.5 | ||||
| 883 | N | 29.2 | Very low | 32.2 | Very low | 167 Ų | 167 | 162.5 Ų | 162.5 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -152.4 | 89.3 | 169.3 | -109 | 7.3 | 0 | 0 | 0 | 108.2 | ||||
| 884 | K | 29 | Very low | 31.7 | Very low | 206 Ų | 206 | 157.4 Ų | 157.4 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | trans | -172.9 | 145.9 | 166.4 | -111.9 | 171.5 | -176.7 | -176.5 | 0 | 109.9 | ||||
| 885 | V | 31.1 | Very low | 31.2 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | 71.7 | 122.9 | 177.1 | -169 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 886 | S | 29.3 | Very low | 30.8 | Very low | 79 Ų | 79 | 148.4 Ų | 148.4 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | trans | -131.6 | 178.9 | 165.3 | 50.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 887 | E | 28.5 | Very low | 30.6 | Very low | 76 Ų | 76 | 141 Ų | 141 | 36% | 0.355 | 68% | 0.681 | S | S | . | * | trans | 83.2 | 70 | 161.8 | -37.5 | -136.4 | 166.8 | 0 | 0 | 121.5 | Q1072 A1073 S1074 | E887-Q1072 WeakPolarHBondContact OE1-CB 3.35Å; E887-A1073 HydrophobicContact CB-CB 4.34Å; E887-A1073 WeakPolarHBondContact OE2-CB 3.38Å; E887-S1074 PolarHBondContact O-OG 3.06Å | ||
| 888 | S | 27.8 | Very low | 30.1 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | trans | -158.8 | 155.7 | 143.2 | -80.5 | 0 | 0 | 0 | 0 | 111.8 | A1073 S1074 | S888-A1073 CarbonylContact C-O 3.5Å; S888-A1073 WeakPolarHBondContact CA-O 3.38Å; S888-A1073 PolarHBondContact N-O 3.15Å; S888-S1074 WeakPolarHBondContact CA-OG 3.33Å; S888-S1074 PolarHBondContact OG-OG 3.1Å; S888-S1074 VanDerWaalsContact OG-OG 3.11Å | ||
| 889 | F | 30.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 130.3 Ų | 130.3 | 66% | 0.658 | 64% | 0.642 | S | S | * | * | trans | 137.8 | 141.7 | -159.2 | -39 | -104.5 | 0 | 0 | 0 | 111.2 | A1073 S1074 A1075 S1076 | F889-A1073 PolarHBondContact N-O 3.46Å; F889-S1074 CarbonylContact O-C 2.74Å; F889-S1074 WeakPolarHBondContact O-CA 3.28Å; F889-S1074 PolarHBondContact O-N 2.8Å; F889-A1075 CarbonylContact C-O 3.59Å; F889-A1075 VanDerWaalsContact C-O 3.29Å; F889-A1075 VanDerWaalsContact CA-O 3.32Å; F889-A1075 WeakPolarHBondContact CA-O 3.24Å; F889-A1075 WeakPolarHBondContact CD1-O 3.29Å; F889-A1075 WeakPolarHBondContact CD2-O 3.39Å; F889-A1075 WeakPolarHBondContact CG-O 3.28Å; F889-A1075 PolarHBondContact N-O 3.39Å; F889-A1075 PolarHBondContact O-N 3.45Å; F889-S1076 VanDerWaalsContact CE1-O 3.26Å; F889-S1076 WeakPolarHBondContact CE1-O 3.2Å | ||
| 890 | K | 28 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 48% | 0.483 | 64% | 0.643 | S | S | . | * | trans | -157.9 | 166.6 | 177.9 | -131.2 | -164.3 | -158.2 | 91.2 | 0 | 117.7 | S1074 S1076 V1077 | K890-S1074 WeakPolarHBondContact CE-O 3.34Å; K890-S1074 PolarHBondContact NZ-O 2.87Å; K890-S1076 PolarHBondContact NZ-OG 2.93Å; K890-S1076 VanDerWaalsContact NZ-OG 3.15Å; K890-V1077 HydrophobicContact CD-CG2 3.95Å | ||
| 891 | K | 25.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 121.8 Ų | 121.8 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | trans | -0 | 119.6 | 142.3 | -175.9 | -175.1 | -177 | -178.8 | 0 | 116.5 | ||||
| 892 | F | 26.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 116 Ų | 116 | 45% | 0.447 | 62% | 0.617 | S | S | . | * | -168 | 135.6 | 117.6 | -116.2 | -95.3 | 0 | 0 | 0 | 111.6 | V1077 | F892-V1077 HydrophobicContact CD2-CG2 4.31Å; F892-V1077 HydrophobicContact CE2-CB 4.47Å; F892-V1077 HydrophobicContact CE2-CG1 4.2Å; F892-V1077 HydrophobicContact CE2-CG2 4.13Å | |||
| 893 | E | 25.5 | Very low | 28 | Very low | 148 Ų | 148 | 112.2 Ų | 112.2 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | trans | 33.3 | 129.3 | 148.1 | -73.9 | 167.3 | -163.8 | 0 | 0 | 126.7 | ||||
| 894 | C | 27.2 | Very low | 27.9 | Very low | 99 Ų | 99 | 109.8 Ų | 109.8 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | 98.2 | 145.4 | 117.4 | -75.7 | 0 | 0 | 0 | 0 | 126.7 | |||||
| 895 | Y | 26.7 | Very low | 27.7 | Very low | 197 Ų | 197 | 103.4 Ų | 103.4 | 77% | 0.773 | 56% | 0.557 | S | S | * | * | trans | 58 | 104.4 | 161.4 | -71.9 | -65.6 | 0 | 0 | 0 | 125.2 | ||||
| 896 | S | 27.7 | Very low | 27.4 | Very low | 54 Ų | 54 | 100.5 Ų | 100.5 | 38% | 0.378 | 54% | 0.544 | S | S | . | . | 57.3 | 166.9 | 124.8 | 63.1 | 0 | 0 | 0 | 0 | 123.3 | R1231 | S896-R1231 WeakPolarHBondContact O-CD 3.48Š| |||
| 897 | L | 28.5 | Very low | 27.3 | Very low | 57 Ų | 57 | 101.3 Ų | 101.3 | 30% | 0.298 | 55% | 0.548 | S | S | . | . | trans | 84.7 | 166.3 | 168.7 | -53.1 | 163.2 | 0 | 0 | 0 | 116.3 | R1231 L1232 E1233 N1234 | L897-R1231 VanDerWaalsContact O-CB 3.3Å; L897-R1231 WeakPolarHBondContact O-CB 3.27Å; L897-R1231 WeakPolarHBondContact O-CD 3.37Å; L897-R1231 WeakPolarHBondContact O-CG 3.37Å; L897-R1231 PolarHBondContact O-NE 3.44Å; L897-L1232 HydrophobicContact CD1-CD2 3.85Å; L897-E1233 CarbonylContact C-O 3.35Å; L897-E1233 WeakPolarHBondContact CA-O 3.37Å; L897-N1234 HydrophobicContact CD2-CB 4.34Å | ||
| 898 | S | 28 | Very low | 27.2 | Very low | 74 Ų | 74 | 101.7 Ų | 101.7 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | trans | -151 | -84.3 | -174.7 | 42.9 | 0 | 0 | 0 | 0 | 123.1 | L1232 E1233 | S898-L1232 CarbonylContact C-O 3.48Å; S898-L1232 WeakPolarHBondContact CA-O 3.49Å; S898-L1232 PolarHBondContact N-O 2.68Å; S898-L1232 PolarHBondContact O-N 3.28Å; S898-E1233 PolarHBondContact N-O 3.44Å | ||
| 899 | P | 32.9 | Very low | 27.3 | Very low | 55 Ų | 55 | 104.8 Ų | 104.8 | 36% | 0.357 | 57% | 0.57 | S | S | . | * | trans | -149.5 | 116.5 | -135.8 | 40 | -16.6 | 0 | 0 | 0 | 121.7 | L1232 K1237 | P899-L1232 WeakPolarHBondContact CD-O 3.29Å; P899-K1237 HydrophobicContact CG-CD 4.04Å; P899-K1237 PolarHBondContact O-NZ 2.81Å | ||
| 900 | S | 25.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 104 Ų | 104 | 76% | 0.762 | 58% | 0.581 | S | S | * | * | trans | -168.1 | 174.3 | 154.1 | 84.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 901 | C | 26.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 104 Ų | 104 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | trans | 71.1 | 119.8 | 170.9 | -70.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 902 | N | 26.6 | Very low | 27.7 | Very low | 118 Ų | 118 | 103 Ų | 103 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | 91.8 | 146.2 | 64.8 | -70.5 | -8.3 | 0 | 0 | 0 | 112.3 | |||||
| 903 | L | 27.7 | Very low | 28 | Very low | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 61% | 0.605 | S | S | . | * | cis | -153 | 173.6 | -12.8 | -140.2 | 81.7 | 0 | 0 | 0 | 110.6 | F843 | F843-L903 HydrophobicContact CE1-CD2 4.41Š| ||
| 904 | F | 25.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 109.6 Ų | 109.6 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | trans | 10.9 | 132.3 | 155.4 | -79.2 | -143.4 | 0 | 0 | 0 | 121.6 | I851 | I851-F904 WeakPolarHBondContact CG1-O 3.32Š| ||
| 905 | T | 25.7 | Very low | 28.5 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 44% | 0.442 | 63% | 0.63 | S | S | . | * | 80.9 | 112.8 | 58.3 | 64.1 | 0 | 0 | 0 | 0 | 117.9 | I851 | I851-T905 VanDerWaalsContact CD1-C 3.43Å; I851-T905 WeakPolarHBondContact CD1-O 3.41Å; I851-T905 VanDerWaalsContact CG1-C 3.42Å | |||
| 906 | S | 25.6 | Very low | 28.8 | Very low | 86 Ų | 86 | 116 Ų | 116 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | trans | 49.4 | 130.7 | 153.2 | 57.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 907 | C | 27.2 | Very low | 28.9 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | -165.6 | 151.9 | 51.6 | -106.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 908 | S | 26.2 | Very low | 28.8 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | 69.1 | 144.5 | 75.5 | 101.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 909 | N | 29.1 | Very low | 28.9 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | 77 | 153 | -170.2 | -49.6 | -9.7 | 0 | 0 | 0 | 111.8 | ||||
| 910 | C | 31 | Very low | 28.7 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 89% | 0.892 | 71% | 0.713 | S | S | * | * | cis | -106 | 170.8 | 15.7 | -68.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 911 | T | 30.9 | Very low | 28.8 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | -97.2 | 175.2 | -170.7 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 912 | N | 32 | Very low | 28.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | trans | 84.2 | 126.1 | 149.2 | -70.7 | -1 | 0 | 0 | 0 | 122.1 | ||||
| 913 | N | 32.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 69.1 | 91 | 134.9 | -59.2 | -10.3 | 0 | 0 | 0 | 120.5 | ||||
| 914 | R | 32.7 | Very low | 29 | Very low | 253 Ų | 253 | 134.9 Ų | 134.9 | 96% | 0.955 | 75% | 0.748 | S | S | * | * | -171.5 | 170.6 | 91 | -97.6 | 171.4 | -178.9 | -172.8 | 0.4 | 112.5 | |||||
| 915 | R | 30.5 | Very low | 29 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -78.2 | 137.4 | -170.6 | -57.3 | 168.4 | 177.6 | 161.6 | -3.8 | 112.4 | ||||
| 916 | Q | 32.6 | Very low | 29.1 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -163.9 | 156.6 | 135.7 | -110.2 | 164.7 | 5.8 | 0 | 0 | 112.2 | ||||
| 917 | Q | 28.9 | Very low | 29.4 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -75.1 | 161.8 | -152.4 | -68.5 | 144.3 | -61.3 | 0 | 0 | 117.8 | ||||
| 918 | C | 27.3 | Very low | 29.7 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 139.2 | 149.9 | -69.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 919 | S | 29.8 | Very low | 30 | Very low | 95 Ų | 95 | 146.8 Ų | 146.8 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | cis | -155.9 | 160.4 | 1.5 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 920 | F | 28.9 | Very low | 29.8 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | 63.9 | 86.5 | 166.8 | -72.2 | -72.6 | 0 | 0 | 0 | 119 | ||||
| 921 | C | 28.4 | Very low | 29.8 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -82.9 | 161.4 | 136.4 | -169 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 922 | G | 28 | Very low | 29.8 | Very low | 77 Ų | 77 | 146.5 Ų | 146.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -165.2 | 98.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 923 | C | 25.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -105.5 | 138.1 | 175 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 924 | T | 29.2 | Very low | 29.6 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -159.4 | 138 | 151.7 | 37.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 925 | M | 27.5 | Very low | 29.6 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -82.9 | 161.1 | 153.7 | -71.1 | 179.5 | 59.3 | 0 | 0 | 109.1 | ||||
| 926 | Q | 28.1 | Very low | 29.7 | Very low | 99 Ų | 99 | 137 Ų | 137 | 46% | 0.463 | 78% | 0.783 | S | S | . | * | 173.3 | 147 | 116.2 | -94.8 | 177.7 | -16.9 | 0 | 0 | 114.1 | D1197 F1198 | Q926-D1197 VanDerWaalsContact NE2-C 3.26Å; Q926-D1197 PolarHBondContact NE2-O 2.99Å; Q926-F1198 VanDerWaalsContact OE1-CA 3.28Å | |||
| 927 | H | 30.6 | Very low | 29.8 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 36.4 | 141.5 | 156.1 | -61 | -72.9 | 0 | 0 | 0 | 124.6 | ||||
| 928 | L | 34.7 | Very low | 29.9 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -78.3 | 165.6 | 152.2 | -88.8 | 70.7 | 0 | 0 | 0 | 110.1 | ||||
| 929 | P | 30.7 | Very low | 30.2 | Very low | 128 Ų | 128 | 131 Ų | 131 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | -134.3 | -178.7 | 121.9 | 38.3 | -29.6 | 0 | 0 | 0 | 113.9 | |||||
| 930 | C | 26.1 | Very low | 30.3 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -116.2 | 161.4 | -166.4 | -73.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 931 | I | 30.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 131 Ų | 131 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | 53.7 | 120.4 | 146.6 | -62.8 | 158.4 | 0 | 0 | 0 | 119 | ||||
| 932 | S | 30.4 | Very low | 30.3 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | -176.8 | 168.8 | 118.5 | 37.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 933 | S | 29 | Very low | 30.3 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 160.7 | -168.5 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 934 | T | 32.6 | Very low | 30.7 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -167.4 | 168.6 | 132.8 | 10.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 935 | N | 31.8 | Very low | 30.8 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -82.9 | -179.3 | -173.7 | -55.5 | -49.5 | 0 | 0 | 0 | 111.2 | ||||
| 936 | Q | 34.1 | Very low | 31 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | -173.9 | 158.4 | 49 | -134.3 | 164.2 | -4.7 | 0 | 0 | 112.2 | ||||
| 937 | T | 33.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | 21 | 151.7 | 145.4 | 50.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 938 | S | 31 | Very low | 31.4 | Very low | 81 Ų | 81 | 146.6 Ų | 146.6 | 57% | 0.566 | 78% | 0.775 | S | S | * | * | cis | -176.9 | 170.7 | -10 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 939 | H | 33.2 | Very low | 31.3 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 64.8 | 158.3 | 158.5 | -61.4 | -44.8 | 0 | 0 | 0 | 118.8 | ||||
| 940 | Q | 31.7 | Very low | 31.6 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -152.3 | 177 | -7.5 | -124.3 | 172.2 | 52.1 | 0 | 0 | 113 | ||||
| 941 | L | 27.6 | Very low | 32 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -26.9 | 156.2 | 171.2 | -61.6 | 155.6 | 0 | 0 | 0 | 118.4 | ||||
| 942 | M | 30.2 | Very low | 32.3 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | -162 | 171.1 | 58.2 | -83.8 | -166.6 | 172.9 | 0 | 0 | 116.4 | |||||
| 943 | R | 28 | Very low | 32.3 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -107.7 | 152.8 | 167.6 | -84.7 | 175.3 | 165 | 172 | -5.2 | 111 | ||||
| 944 | P | 35.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | -152.7 | -165.9 | 105.3 | 36.3 | -16.1 | 0 | 0 | 0 | 113.6 | |||||
| 945 | K | 30.7 | Very low | 32.5 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | -159 | 148.3 | -52.6 | -98.3 | -175.5 | 170.8 | -178.7 | 0 | 111.1 | |||||
| 946 | S | 32 | Very low | 32.5 | Very low | 89 Ų | 89 | 154.4 Ų | 154.4 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | trans | 72.3 | 146.1 | 135.2 | 68.4 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 947 | H | 34.4 | Very low | 32.4 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | trans | 75.7 | 149.7 | 152.9 | -62.7 | -44.5 | 0 | 0 | 0 | 119.4 | ||||
| 948 | R | 32.5 | Very low | 32.1 | Very low | 202 Ų | 202 | 149.9 Ų | 149.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | cis | -151.2 | 133.9 | -0.6 | -126.7 | -175.3 | -179.8 | 167.4 | -2.3 | 107.9 | ||||
| 949 | R | 32.9 | Very low | 32.1 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | 91.3 | 158.3 | 98.3 | -107.9 | -165.9 | -175.8 | -178.5 | -1.6 | 116.8 | |||||
| 950 | E | 35.7 | Very low | 31.9 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 71.5 | 139.3 | 166.7 | -70.5 | 137.6 | -124.1 | 0 | 0 | 119 | ||||
| 951 | D | 35.2 | Very low | 31.8 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | cis | -166.7 | 171.1 | -33.1 | -110.4 | 3.4 | 0 | 0 | 0 | 110.7 | ||||
| 952 | S | 35.7 | Very low | 31.9 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | 65.1 | 124.1 | -176.7 | 66.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 953 | N | 32.1 | Very low | 31.9 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | cis | 80.9 | 102.7 | 39.1 | -66.5 | -8.6 | 0 | 0 | 0 | 115 | ||||
| 954 | E | 33 | Very low | 32 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | -160.5 | 131.6 | 106.6 | -107.5 | 173.3 | -177.3 | 0 | 0 | 113.5 | |||||
| 955 | T | 32.4 | Very low | 31.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | trans | 8.7 | 115 | 158.8 | 50.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 956 | Q | 30.3 | Very low | 31.7 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | 77.8 | 113.8 | 69.3 | -77 | -174.3 | -32.7 | 0 | 0 | 116.1 | |||||
| 957 | N | 32.5 | Very low | 31.7 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | -164.7 | 121.2 | 117.4 | -97 | -20.9 | 0 | 0 | 0 | 110.7 | |||||
| 958 | S | 27.8 | Very low | 31.5 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 49% | 0.49 | 72% | 0.718 | S | S | . | * | trans | -166.7 | 99.1 | -179.6 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | S1467 | S958-S1467 VanDerWaalsContact CA-OG 3.26Å; S958-S1467 WeakPolarHBondContact CA-OG 3.4Å; S958-S1467 VanDerWaalsContact CB-OG 3.26Å; S958-S1467 WeakPolarHBondContact CB-OG 3.4Å | ||
| 959 | I | 30.3 | Very low | 31.5 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 39% | 0.385 | 72% | 0.718 | S | S | . | * | trans | -128 | 113.1 | 166.4 | -60.1 | -178 | 0 | 0 | 0 | 107.5 | S1467 D1468 N1469 | I959-S1467 WeakPolarHBondContact O-CB 3.3Å; I959-D1468 HydrophobicContact CB-CB 4.35Å; I959-D1468 VanDerWaalsContact CB-O 3.27Å; I959-D1468 WeakPolarHBondContact CB-O 3.46Å; I959-D1468 WeakPolarHBondContact CG1-O 3.26Å; I959-D1468 PolarHBondContact N-O 3.32Å; I959-D1468 VanDerWaalsContact O-CB 3.26Å; I959-D1468 WeakPolarHBondContact O-CB 2.91Å; I959-D1468 PolarHBondContact O-N 2.98Å; I959-N1469 HydrophobicContact CB-CB 4.21Å; I959-N1469 HydrophobicContact CD1-CB 3.99Å; I959-N1469 HydrophobicContact CG2-CB 4.35Å | ||
| 960 | F | 29 | Very low | 31.5 | Very low | 158 Ų | 158 | 133 Ų | 133 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | 62.3 | 151.1 | 70.4 | -75.1 | -84.5 | 0 | 0 | 0 | 112.7 | |||||
| 961 | A | 30.8 | Very low | 31.5 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | cis | -151 | 172.8 | 9.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 962 | N | 29 | Very low | 31.2 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | trans | -46.1 | 165.4 | 146.3 | -40.8 | -72.9 | 0 | 0 | 0 | 112.2 | ||||
| 963 | H | 31.1 | Very low | 31.2 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | -165.2 | 165.3 | 118.2 | -118.3 | -86.2 | 0 | 0 | 0 | 113.4 | |||||
| 964 | A | 29.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | trans | -125.1 | 172.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 965 | N | 31 | Very low | 31.2 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | trans | 96.1 | 130.9 | 167.8 | -53.9 | -23.2 | 0 | 0 | 0 | 118.4 | ||||
| 966 | N | 28.1 | Very low | 31.3 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | 11.6 | 136.8 | 144.4 | -54.9 | -12.7 | 0 | 0 | 0 | 120.1 | ||||
| 967 | V | 32 | Very low | 31.3 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | -162 | 161.4 | 97.2 | 142.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 968 | Q | 30.3 | Very low | 31.1 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | -65.6 | 159.6 | -170.1 | -55.2 | 133.5 | -55.2 | 0 | 0 | 114.9 | ||||
| 969 | N | 32.6 | Very low | 31.5 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | -165.5 | 133.6 | 112.2 | -98.7 | -29.2 | 0 | 0 | 0 | 113.8 | |||||
| 970 | L | 33.3 | Very low | 31.6 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | 40.2 | 128.3 | 137 | -54.5 | 170.8 | 0 | 0 | 0 | 118.7 | ||||
| 971 | N | 34.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | cis | -152.6 | 174.4 | 31 | -105.8 | -37 | 0 | 0 | 0 | 114.9 | ||||
| 972 | N | 30.1 | Very low | 31.4 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -49.9 | 160.1 | 174.7 | -52.9 | -60.4 | 0 | 0 | 0 | 113.9 | ||||
| 973 | E | 34.4 | Very low | 31.5 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | cis | -142.6 | 140.7 | 46.3 | -79.5 | -168.2 | 129.1 | 0 | 0 | 113.1 | ||||
| 974 | R | 31.6 | Very low | 31.4 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | 54.4 | 129.9 | 88.7 | -82.9 | -178.9 | -179.3 | -173.1 | 0.6 | 113.1 | |||||
| 975 | I | 34.4 | Very low | 31.3 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | cis | -140 | 151 | 17.2 | -62.4 | -175.2 | 0 | 0 | 0 | 110.5 | ||||
| 976 | P | 34.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | trans | -109.7 | -178.2 | -175.8 | 42.5 | -35.8 | 0 | 0 | 0 | 115.6 | ||||
| 977 | S | 30.5 | Very low | 31.1 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 158.8 | 167.8 | 84.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 978 | S | 28.5 | Very low | 31 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | cis | -147.7 | 172.1 | -11.6 | 32.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 979 | I | 34.7 | Very low | 30.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | 167 | 134.8 | 100.9 | -92.5 | 166.4 | 0 | 0 | 0 | 107.8 | |||||
| 980 | Y | 33.2 | Very low | 30.8 | Very low | 209 Ų | 209 | 143.9 Ų | 143.9 | 82% | 0.82 | 76% | 0.761 | S | S | * | * | trans | 38.3 | 161.2 | 143.9 | -66.9 | -110.4 | 0 | 0 | 0 | 122 | ||||
| 981 | S | 27.7 | Very low | 30.4 | Very low | 85 Ų | 85 | 143.3 Ų | 143.3 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | cis | -170.2 | 173.5 | -26 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 982 | E | 28 | Very low | 30.2 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 3.3 | 125.8 | 148.2 | -59.7 | 164.7 | 133.6 | 0 | 0 | 119.9 | ||||
| 983 | M | 30.2 | Very low | 29.8 | Very low | 179 Ų | 179 | 146 Ų | 146 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | 180 | 119.1 | 123.7 | -92.7 | 166.3 | -174.6 | 0 | 0 | 106.9 | |||||
| 984 | T | 28.7 | Very low | 29.4 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | 71.3 | 109.4 | 54.3 | 68.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 985 | D | 27.6 | Very low | 29.3 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | trans | 61.7 | 155.4 | 147.6 | -52.9 | -33.7 | 0 | 0 | 0 | 120.8 | ||||
| 986 | V | 26.8 | Very low | 28.8 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 60.3 | 146.4 | 175.7 | -109.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 987 | E | 29.3 | Very low | 28.6 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | cis | -133 | 149.5 | 18.1 | -64.1 | -179.7 | 122.3 | 0 | 0 | 114.7 | ||||
| 988 | T | 30.1 | Very low | 28.4 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -78.1 | 158.8 | 155.7 | 50.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 989 | Q | 27.6 | Very low | 28.3 | Very low | 165 Ų | 165 | 148 Ų | 148 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | 78 | 92.5 | 165.1 | -54.1 | -176.8 | 10.8 | 0 | 0 | 118.4 | L991 | Q989-L991 HydrophobicContact CB-CD1 3.83Å; Q989-L991 HydrophobicContact CG-CD1 4.37Å | ||
| 990 | S | 30.1 | Very low | 27.9 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -135.7 | 70.8 | 140.4 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 991 | L | 25 | Very low | 27.7 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | 47.8 | 110.6 | 102.1 | -99.6 | 84 | 0 | 0 | 0 | 115.6 | Q989 R993 | Q989-L991 HydrophobicContact CB-CD1 3.83Å; Q989-L991 HydrophobicContact CG-CD1 4.37Å; L991-R993 PolarHBondContact O-N 3.18Å | |||
| 992 | N | 31 | Very low | 27.7 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 57% | 0.572 | 77% | 0.767 | S | S | * | * | trans | -14.3 | 114.4 | 137.3 | -76.5 | -61.1 | 0 | 0 | 0 | 115.5 | S452 | S452-N992 PolarHBondContact OG-ND2 3.41Š| ||
| 993 | R | 22.3 | Very low | 27.8 | Very low | 218 Ų | 218 | 151.1 Ų | 151.1 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | trans | -175.6 | 166.3 | 134 | -99.7 | 153.5 | -167.5 | -169.3 | 4.5 | 111.4 | L991 | L991-R993 PolarHBondContact O-N 3.18Š| ||
| 994 | F | 26.5 | Very low | 27.9 | Very low | 190 Ų | 190 | 148 Ų | 148 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | 70.9 | 122.2 | 178 | -53.5 | -78.5 | 0 | 0 | 0 | 117.1 | ||||
| 995 | I | 28.5 | Very low | 28 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | cis | -154.7 | 159.6 | -23.1 | -138.2 | 177.2 | 0 | 0 | 0 | 109.6 | I997 | I995-I997 HydrophobicContact CG2-CG1 4.24Å; I995-I997 PolarHBondContact O-N 3.09Å | ||
| 996 | N | 24.8 | Very low | 28 | Very low | 152 Ų | 152 | 149.9 Ų | 149.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -64.7 | 123.2 | 171.2 | -80.4 | -35.6 | 0 | 0 | 0 | 111.3 | ||||
| 997 | I | 29.4 | Very low | 28.1 | Very low | 158 Ų | 158 | 151.3 Ų | 151.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -123.8 | 89.6 | 154.7 | -57.4 | -175.9 | 0 | 0 | 0 | 108.7 | I995 | I995-I997 HydrophobicContact CG2-CG1 4.24Å; I995-I997 PolarHBondContact O-N 3.09Å | ||
| 998 | N | 25.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 147.3 Ų | 147.3 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 169.7 | 156.1 | -89.1 | -27.1 | 0 | 0 | 0 | 110.2 | ||||
| 999 | N | 26.6 | Very low | 28.2 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 94.8 | 107.6 | 155.3 | -59.2 | -25.1 | 0 | 0 | 0 | 119.9 | ||||
| 1000 | T | 26.3 | Very low | 28.4 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | 65.8 | 125.1 | 124.7 | 64.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1001 | D | 30.2 | Very low | 28.5 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | 25.5 | 122.5 | 126.8 | -48.9 | -28.3 | 0 | 0 | 0 | 119.9 | |||||
| 1002 | K | 27.6 | Very low | 28.8 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | -177 | 171.1 | 105.8 | -98.1 | 152 | -169.4 | 166.3 | 0 | 114.6 | |||||
| 1003 | K | 30.4 | Very low | 29 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 89% | 0.887 | 77% | 0.771 | S | S | * | * | trans | -92.7 | 132.4 | -177.8 | -55.6 | 170.1 | -179.1 | 174.7 | 0 | 112.5 | ||||
| 1004 | S | 31.6 | Very low | 29.5 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -171.5 | 140.3 | 149.9 | 49.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1005 | V | 29.8 | Very low | 30 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | cis | 68.4 | 89.2 | 19 | -156.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1006 | F | 29.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 75% | 0.746 | 76% | 0.756 | S | S | * | * | -172 | 133 | 113.5 | -118 | -103.9 | 0 | 0 | 0 | 114.9 | |||||
| 1007 | K | 28.4 | Very low | 30.6 | Very low | 166 Ų | 166 | 154 Ų | 154 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 21 | 115.7 | 149.8 | -62.1 | -173.9 | -173.6 | 177.6 | 0 | 122.6 | ||||
| 1008 | S | 30.5 | Very low | 30.8 | Very low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 49.5 | 136.9 | 121.7 | 74.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1009 | K | 31.5 | Very low | 31.1 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | -161.3 | 160.3 | 103.6 | -110.2 | 169.4 | -175.7 | 176.6 | 0 | 114.5 | |||||
| 1010 | T | 30.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -73.2 | 158.7 | -177.2 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1011 | Q | 32.7 | Very low | 31.8 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | -152.5 | 168.8 | 119.7 | -143.4 | 61 | -31 | 0 | 0 | 112.4 | |||||
| 1012 | R | 30.2 | Very low | 32 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | -114.7 | 156.2 | -166.4 | -60.9 | 167.9 | 169.5 | 150 | -6.5 | 112.2 | ||||
| 1013 | N | 35.6 | Very low | 32.2 | Very low | 138 Ų | 138 | 151.2 Ų | 151.2 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | -171.6 | 138.9 | 114.5 | -86.5 | -24.4 | 0 | 0 | 0 | 108.4 | |||||
| 1014 | R | 32.6 | Very low | 32.5 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 73% | 0.725 | 73% | 0.733 | S | S | * | * | 61.5 | 126.7 | 63.9 | -70.9 | -176.1 | 176.7 | 175.8 | -2.4 | 110.4 | |||||
| 1015 | D | 37.7 | Very low | 32.6 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | cis | -164.4 | 176.2 | 33.2 | -109.8 | -11 | 0 | 0 | 0 | 109.2 | ||||
| 1016 | R | 33.2 | Very low | 32.8 | Very low | 184 Ų | 184 | 153.9 Ų | 153.9 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | cis | -171 | 151.3 | -26.6 | -131.9 | 176.4 | 178.7 | 166 | -5.7 | 110.7 | ||||
| 1017 | K | 32.8 | Very low | 33 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | 75.1 | 139.4 | 142.2 | -90.6 | 178.4 | -179.4 | -175.5 | 0 | 124.2 | ||||
| 1018 | R | 33.2 | Very low | 33.3 | Very low | 221 Ų | 221 | 147.1 Ų | 147.1 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | 82.9 | 147.8 | 144.7 | -75.5 | -178.6 | 166.4 | 169 | -6.3 | 120.6 | ||||
| 1019 | S | 31.4 | Very low | 33.4 | Very low | 73 Ų | 73 | 150.8 Ų | 150.8 | 51% | 0.51 | 75% | 0.747 | S | S | . | * | cis | -176.9 | 173.9 | -41.3 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1020 | H | 35.7 | Very low | 33.5 | Very low | 160 Ų | 160 | 147 Ų | 147 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | 88.4 | 130.5 | 172 | -52.8 | -77.4 | 0 | 0 | 0 | 116 | ||||
| 1021 | I | 32.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | cis | 134.3 | 155.2 | -8.2 | -74.5 | 162.8 | 0 | 0 | 0 | 109.5 | ||||
| 1022 | I | 34.6 | Very low | 33.7 | Very low | 167 Ų | 167 | 145 Ų | 145 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | 82.1 | 127.4 | -177.9 | -42.7 | 179.4 | 0 | 0 | 0 | 113.8 | ||||
| 1023 | G | 32.3 | Very low | 33.9 | Very low | 65 Ų | 65 | 141.7 Ų | 141.7 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | cis | 151.6 | 158.2 | -13.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1024 | S | 35.3 | Very low | 33.8 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 82.6 | 138.8 | 164.8 | -146.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1025 | N | 34 | Very low | 33.8 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -173.4 | 169.9 | -24.7 | -106.9 | -36.8 | 0 | 0 | 0 | 113.3 | ||||
| 1026 | R | 34.2 | Very low | 33.7 | Very low | 240 Ų | 240 | 142.6 Ų | 142.6 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | 76.1 | 123.5 | 167.9 | -67.3 | 166.7 | -180 | 168.6 | -0.8 | 116.1 | ||||
| 1027 | A | 33.5 | Very low | 33.7 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | cis | 100.5 | 142.9 | 36.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1028 | S | 35.1 | Very low | 33.4 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | cis | -137.9 | 146.2 | 20.9 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1029 | E | 32 | Very low | 33.1 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | 56.8 | 135.2 | 87.8 | -53.7 | 172.5 | 146.8 | 0 | 0 | 114.1 | |||||
| 1030 | C | 34.3 | Very low | 33 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | cis | -148.3 | 174.6 | 15.8 | -103.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1031 | S | 35 | Very low | 32.6 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | cis | -164.6 | 153.9 | -7.1 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1032 | D | 33 | Very low | 32.3 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 11.3 | 151.7 | 148.6 | -41 | -45 | 0 | 0 | 0 | 121.7 | ||||
| 1033 | D | 34 | Very low | 32 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | cis | -163.5 | -161.3 | 17.1 | -151.7 | -22.4 | 0 | 0 | 0 | 113.2 | K1035 | D1033-K1035 IonicContact OD1-NZ 2.65Å; D1033-K1035 PolarHBondContact OD1-NZ 2.84Å | ||
| 1034 | E | 34.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | 77.1 | 98.7 | 169 | -87.5 | -88.1 | 76.1 | 0 | 0 | 118.7 | K1036 | E1034-K1036 IonicContact OE1-NZ 3.81Å; E1034-K1036 PolarHBondContact OE1-NZ 3.19Å; E1034-K1036 IonicContact OE2-NZ 3.71Å; E1034-K1036 PolarHBondContact OE2-NZ 2.79Å | ||
| 1035 | K | 32.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | -86.1 | 150.8 | 175.4 | -45.7 | 96.8 | -178.6 | 135.4 | 0 | 112.3 | D1033 | D1033-K1035 IonicContact OD1-NZ 2.65Å; D1033-K1035 PolarHBondContact OD1-NZ 2.84Å | ||
| 1036 | K | 34.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 172.1 | 138.2 | 142.3 | -87.5 | 136.9 | -148 | 137.4 | 0 | 109.8 | E1034 | E1034-K1036 IonicContact OE1-NZ 3.81Å; E1034-K1036 PolarHBondContact OE1-NZ 3.19Å; E1034-K1036 IonicContact OE2-NZ 3.71Å; E1034-K1036 PolarHBondContact OE2-NZ 2.79Å | ||
| 1037 | S | 33.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | cis | -156.3 | 134.8 | -14.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1038 | I | 27.9 | Very low | 30.5 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | 52.8 | 101.6 | 122.1 | -59.2 | 174.2 | 0 | 0 | 0 | 117.4 | |||||
| 1039 | L | 27.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 67% | 0.665 | 71% | 0.71 | S | S | * | * | 77.4 | 116.6 | 90 | -96.2 | 79.5 | 0 | 0 | 0 | 115.1 | |||||
| 1040 | Q | 28.1 | Very low | 29.8 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | 69.1 | 152.5 | 95 | -70.3 | -176 | 4.1 | 0 | 0 | 117.4 | |||||
| 1041 | V | 26.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | trans | 134.4 | 104.9 | 133.5 | 177.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1042 | R | 27.6 | Very low | 29.1 | Very low | 216 Ų | 216 | 127 Ų | 127 | 82% | 0.815 | 65% | 0.647 | S | S | * | * | trans | 71.5 | 114.9 | 145.1 | -68.6 | 170.1 | -171.9 | 132.9 | 0.3 | 123.7 | ||||
| 1043 | K | 27.7 | Very low | 28.9 | Very low | 184 Ų | 184 | 121.3 Ų | 121.3 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | 43.8 | 122.1 | 115.2 | -60 | -174.2 | 174.6 | -169.2 | 0 | 120.5 | |||||
| 1044 | N | 28 | Very low | 28.7 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | -179.6 | 154.6 | 103.5 | -92.9 | -17.2 | 0 | 0 | 0 | 114.7 | |||||
| 1045 | S | 27.2 | Very low | 28.3 | Very low | 99 Ų | 99 | 121.4 Ų | 121.4 | 69% | 0.692 | 62% | 0.619 | S | S | * | * | trans | 52.6 | 109.2 | 155.1 | 57.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1046 | Q | 27.4 | Very low | 28.2 | Very low | 185 Ų | 185 | 120.4 Ų | 120.4 | 86% | 0.864 | 61% | 0.611 | S | S | * | * | 55.8 | 154.8 | 128.6 | -65.7 | -179.2 | -64.3 | 0 | 0 | 122.1 | |||||
| 1047 | P | 29 | Very low | 27.7 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 60% | 0.597 | 61% | 0.61 | S | S | * | * | cis | -140.9 | 174.1 | -44.9 | 41.9 | -26.2 | 0 | 0 | 0 | 113.7 | ||||
| 1048 | D | 25.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 117 Ų | 117 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | trans | 60.2 | 139.7 | 155.5 | -57 | -57.8 | 0 | 0 | 0 | 118.9 | Q381 K407 | Q381-D1048 PolarHBondContact NE2-OD1 2.66Å; K407-D1048 IonicContact NZ-OD1 3.65Å; K407-D1048 PolarHBondContact NZ-OD1 2.6Å; K407-D1048 IonicContact NZ-OD2 3.83Å; K407-D1048 PolarHBondContact NZ-OD2 3.24Å | ||
| 1049 | L | 26.6 | Very low | 27.6 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | cis | -160.5 | -169.2 | 45.8 | -120.8 | 122.9 | 0 | 0 | 0 | 112.7 | K407 | K407-L1049 HydrophobicContact CB-CD2 4.17Å; K407-L1049 HydrophobicContact CD-CD1 4.03Å; K407-L1049 HydrophobicContact CD-CD2 3.8Å; K407-L1049 HydrophobicContact CD-CG 3.91Å | ||
| 1050 | S | 25.6 | Very low | 27.6 | Very low | 27 Ų | 27 | 118.2 Ų | 118.2 | 19% | 0.189 | 61% | 0.609 | C | S | . | * | trans | -116.3 | 143 | -171.9 | 52.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1051 | V | 27.5 | Very low | 27.6 | Very low | 47 Ų | 47 | 116.9 Ų | 116.9 | 29% | 0.285 | 60% | 0.602 | S | S | . | * | trans | -144.5 | 138.2 | 138.8 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | Y1363 | V1051-Y1363 HydrophobicContact CB-CD1 3.99Å; V1051-Y1363 HydrophobicContact CB-CD2 4.28Å; V1051-Y1363 HydrophobicContact CB-CE1 3.74Å; V1051-Y1363 HydrophobicContact CB-CE2 4.05Å; V1051-Y1363 HydrophobicContact CB-CG 4.26Å; V1051-Y1363 HydrophobicContact CG1-CD1 3.73Å; V1051-Y1363 HydrophobicContact CG1-CE1 3.85Å; V1051-Y1363 HydrophobicContact CG1-CG 4.18Å; V1051-Y1363 HydrophobicContact CG2-CD1 4.36Å; V1051-Y1363 HydrophobicContact CG2-CD2 3.88Å; V1051-Y1363 HydrophobicContact CG2-CE1 4.39Å; V1051-Y1363 HydrophobicContact CG2-CE2 3.91Å; V1051-Y1363 HydrophobicContact CG2-CG 4.11Å | ||
| 1052 | N | 28 | Very low | 27.5 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 54% | 0.535 | 62% | 0.616 | S | S | . | * | trans | -154.9 | 100.2 | 147.9 | -139.7 | 42.7 | 0 | 0 | 0 | 111 | ||||
| 1053 | S | 27.5 | Very low | 27.5 | Very low | 34 Ų | 34 | 117.8 Ų | 117.8 | 24% | 0.238 | 61% | 0.611 | C | S | . | * | trans | -71.5 | 125.8 | -179.6 | 37.4 | 0 | 0 | 0 | 0 | 113 | D1366 | S1053-D1366 WeakPolarHBondContact CB-OD1 3.26Å; S1053-D1366 PolarHBondContact OG-OD1 3.12Å; S1053-D1366 PolarHBondContact OG-OD2 3.4Å | ||
| 1054 | H | 30.1 | Very low | 27.5 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 73% | 0.731 | 61% | 0.605 | S | S | * | * | trans | -134.5 | 75.2 | 162.5 | -96.7 | 18.5 | 0 | 0 | 0 | 111.1 | ||||
| 1055 | L | 27.5 | Very low | 27.5 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | trans | -96.5 | 29.7 | 168.6 | -82.5 | 171.7 | 0 | 0 | 0 | 112.9 | G1057 | L1055-G1057 PolarHBondContact O-N 2.9Š| ||
| 1056 | R | 28.8 | Very low | 27.7 | Very low | 133 Ų | 133 | 118.4 Ų | 118.4 | 50% | 0.502 | 60% | 0.604 | S | S | . | * | trans | -72.7 | 63.7 | 167.4 | -92.6 | -169.3 | 174.9 | -177.1 | 3.7 | 111.1 | E662 R1058 H1369 | E662-R1056 IonicContact OE2-CZ 3.87Å; E662-R1056 IonicContact OE2-NH1 3.94Å; E662-R1056 PolarHBondContact OE2-NH1 2.74Å; E662-R1056 IonicContact OE2-NH2 2.69Å; E662-R1056 PolarHBondContact OE2-NH2 2.88Å; R1056-R1058 PolarHBondContact O-N 3.4Å; R1056-H1369 PolarHBondContact NE-NE2 2.85Å; R1056-H1369 PolarHBondContact NH2-CE1 2.9Å; R1056-H1369 PolarHBondContact NH2-NE2 2.79Å | ||
| 1057 | G | 25.3 | Very low | 27.7 | Very low | 66 Ų | 66 | 117.1 Ų | 117.1 | 68% | 0.68 | 60% | 0.603 | S | S | * | * | trans | -67.4 | 112.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1055 | L1055-G1057 PolarHBondContact O-N 2.9Š| ||
| 1058 | R | 29.3 | Very low | 27.7 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 45% | 0.453 | 61% | 0.613 | S | S | . | * | trans | -152.9 | 154.2 | 174.9 | -127.2 | 167.4 | -85.6 | -170.5 | -3.3 | 112.9 | R1056 | R1056-R1058 PolarHBondContact O-N 3.4Š| ||
| 1059 | K | 29 | Very low | 27.8 | Very low | 184 Ų | 184 | 121.9 Ų | 121.9 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | trans | 58.4 | 51.8 | 173.9 | -61.5 | -178.8 | -175.8 | 168.4 | 0 | 117.7 | Q1061 | K1059-Q1061 PolarHBondContact O-N 3.35Š| ||
| 1060 | S | 27.2 | Very low | 28 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -64.4 | 96.8 | 157.1 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1061 | Q | 28.6 | Very low | 28.1 | Very low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | trans | -83.6 | 126.4 | 158.8 | -72.1 | -156.1 | 15.8 | 0 | 0 | 109.6 | K1059 S1063 | K1059-Q1061 PolarHBondContact O-N 3.35Å; Q1061-S1063 PolarHBondContact O-N 2.88Å | ||
| 1062 | R | 25.1 | Very low | 28.2 | Very low | 234 Ų | 234 | 131.7 Ų | 131.7 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | trans | -82.6 | 89.5 | 170.7 | -85.8 | -180 | 159.8 | 175.2 | -5 | 110.7 | T1064 | R1062-T1064 PolarHBondContact O-N 3.2Š| ||
| 1063 | S | 27.5 | Very low | 28.1 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 70% | 0.699 | 67% | 0.672 | S | S | * | * | trans | -94.4 | 74.9 | 171.7 | 43.9 | 0 | 0 | 0 | 0 | 111.8 | Q1061 Y1065 | Q1061-S1063 PolarHBondContact O-N 2.88Å; S1063-Y1065 PolarHBondContact O-N 3.24Å | ||
| 1064 | T | 26.3 | Very low | 28.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | trans | -88.6 | 95.9 | 175.3 | 55.8 | 0 | 0 | 0 | 0 | 111.8 | R1062 | R1062-T1064 PolarHBondContact O-N 3.2Š| ||
| 1065 | Y | 29.1 | Very low | 28.1 | Very low | 196 Ų | 196 | 123.5 Ų | 123.5 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -140 | 145.5 | 171.7 | -84 | -72.9 | 0 | 0 | 0 | 114.1 | S1063 | S1063-Y1065 PolarHBondContact O-N 3.24Š| ||
| 1066 | I | 29.9 | Very low | 28.1 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | trans | -135.5 | 128.2 | 172.8 | -66.6 | 176.2 | 0 | 0 | 0 | 107.4 | ||||
| 1067 | D | 29.1 | Very low | 28.1 | Very low | 157 Ų | 157 | 117.8 Ų | 117.8 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | trans | 26.7 | 128.9 | 162.9 | -63.3 | -48.2 | 0 | 0 | 0 | 122.9 | ||||
| 1068 | G | 27.5 | Very low | 28.2 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | -179 | 105.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1069 | K | 28.2 | Very low | 28.1 | Very low | 213 Ų | 213 | 122 Ų | 122 | 93% | 0.926 | 66% | 0.657 | S | S | * | * | trans | -82.1 | 166.1 | -176.1 | -92.7 | -169.9 | 173.8 | 179.9 | 0 | 114.1 | ||||
| 1070 | P | 30.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | trans | -115.6 | -171.7 | -143.4 | 44.9 | -39.1 | 0 | 0 | 0 | 116.2 | ||||
| 1071 | L | 27.7 | Very low | 27.8 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | trans | 169.6 | 111.6 | 140 | -86.5 | 158.5 | 0 | 0 | 0 | 108 | ||||
| 1072 | Q | 29.3 | Very low | 27.6 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 68% | 0.682 | 66% | 0.659 | S | S | * | * | 78.5 | 155.2 | 77 | -83.7 | -168.6 | -60.9 | 0 | 0 | 115.3 | E887 | E887-Q1072 WeakPolarHBondContact OE1-CB 3.35Š| |||
| 1073 | A | 27.2 | Very low | 27.7 | Very low | 40 Ų | 40 | 117.5 Ų | 117.5 | 33% | 0.331 | 65% | 0.647 | S | S | . | * | cis | -151.4 | -144.2 | -9.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | E887 S888 F889 | E887-A1073 HydrophobicContact CB-CB 4.34Å; E887-A1073 WeakPolarHBondContact OE2-CB 3.38Å; S888-A1073 CarbonylContact C-O 3.5Å; S888-A1073 WeakPolarHBondContact CA-O 3.38Å; S888-A1073 PolarHBondContact N-O 3.15Å; F889-A1073 PolarHBondContact N-O 3.46Å | ||
| 1074 | S | 27.3 | Very low | 27.7 | Very low | 50 Ų | 50 | 118.9 Ų | 118.9 | 35% | 0.35 | 65% | 0.646 | S | S | . | * | cis | -166.9 | -32.3 | 10.2 | 71.7 | 0 | 0 | 0 | 0 | 118 | E887 S888 F889 K890 | E887-S1074 PolarHBondContact O-OG 3.06Å; S888-S1074 WeakPolarHBondContact CA-OG 3.33Å; S888-S1074 PolarHBondContact OG-OG 3.1Å; S888-S1074 VanDerWaalsContact OG-OG 3.11Å; F889-S1074 CarbonylContact O-C 2.74Å; F889-S1074 WeakPolarHBondContact O-CA 3.28Å; F889-S1074 PolarHBondContact O-N 2.8Å; K890-S1074 WeakPolarHBondContact CE-O 3.34Å; K890-S1074 PolarHBondContact NZ-O 2.87Å | ||
| 1075 | A | 29.3 | Very low | 27.8 | Very low | 31 Ų | 31 | 119 Ų | 119 | 26% | 0.256 | 64% | 0.643 | S | S | . | * | trans | -156.2 | 155.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F889 | F889-A1075 CarbonylContact C-O 3.59Å; F889-A1075 VanDerWaalsContact C-O 3.29Å; F889-A1075 VanDerWaalsContact CA-O 3.32Å; F889-A1075 WeakPolarHBondContact CA-O 3.24Å; F889-A1075 WeakPolarHBondContact CD1-O 3.29Å; F889-A1075 WeakPolarHBondContact CD2-O 3.39Å; F889-A1075 WeakPolarHBondContact CG-O 3.28Å; F889-A1075 PolarHBondContact N-O 3.39Å; F889-A1075 PolarHBondContact O-N 3.45Å | ||
| 1076 | S | 28.9 | Very low | 27.7 | Very low | 63 Ų | 63 | 113 Ų | 113 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | cis | -177.2 | 169.3 | -10.4 | -88.2 | 0 | 0 | 0 | 0 | 110.3 | F889 K890 | F889-S1076 VanDerWaalsContact CE1-O 3.26Å; F889-S1076 WeakPolarHBondContact CE1-O 3.2Å; K890-S1076 PolarHBondContact NZ-OG 2.93Å; K890-S1076 VanDerWaalsContact NZ-OG 3.15Å | ||
| 1077 | V | 27.9 | Very low | 27.7 | Very low | 67 Ų | 67 | 113 Ų | 113 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | cis | -177.8 | 170.6 | -22.2 | 140.2 | 0 | 0 | 0 | 0 | 109.7 | K890 F892 | K890-V1077 HydrophobicContact CD-CG2 3.95Å; F892-V1077 HydrophobicContact CD2-CG2 4.31Å; F892-V1077 HydrophobicContact CE2-CB 4.47Å; F892-V1077 HydrophobicContact CE2-CG1 4.2Å; F892-V1077 HydrophobicContact CE2-CG2 4.13Å | ||
| 1078 | Q | 27.6 | Very low | 27.6 | Very low | 156 Ų | 156 | 110.2 Ų | 110.2 | 73% | 0.729 | 61% | 0.614 | S | S | * | * | trans | 84.5 | 150.4 | 168.2 | -81.2 | 150.8 | -36.3 | 0 | 0 | 119 | ||||
| 1079 | T | 27.2 | Very low | 27.5 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | cis | -148.5 | 140.4 | 21.4 | -49.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1080 | L | 24.1 | Very low | 27.4 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | trans | 1.1 | 161 | 137.2 | -46.1 | 173.6 | 0 | 0 | 0 | 120.5 | ||||
| 1081 | L | 24.9 | Very low | 27.2 | Very low | 148 Ų | 148 | 113.6 Ų | 113.6 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | cis | -170.7 | -175.7 | -3.8 | -115.9 | 171.4 | 0 | 0 | 0 | 111.1 | ||||
| 1082 | Q | 25.2 | Very low | 27.2 | Very low | 164 Ų | 164 | 115.6 Ų | 115.6 | 77% | 0.766 | 63% | 0.626 | S | S | * | * | trans | 108.8 | 118.8 | 147.8 | -63.4 | -162.7 | -60 | 0 | 0 | 123.1 | ||||
| 1083 | I | 26.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | trans | 78.5 | 89.6 | 132.2 | -58.2 | 167.3 | 0 | 0 | 0 | 121.2 | ||||
| 1084 | D | 27.2 | Very low | 27.3 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | 37.4 | 121.7 | 105.6 | -41 | -26.3 | 0 | 0 | 0 | 122.8 | |||||
| 1085 | N | 28.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 61% | 0.61 | 66% | 0.657 | S | S | * | * | 162.5 | 138.4 | 94.2 | -95 | -38 | 0 | 0 | 0 | 118.9 | H44 | H44-N1085 PolarHBondContact CD2-OD1 2.79Å; H44-N1085 PolarHBondContact NE2-ND2 2.84Å; H44-N1085 PolarHBondContact NE2-OD1 2.96Å | |||
| 1086 | N | 28.6 | Very low | 27.6 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 39% | 0.385 | 69% | 0.687 | S | S | . | * | trans | 58.7 | 122.9 | 143.4 | -79.8 | 15.9 | 0 | 0 | 0 | 128.3 | H44 | H44-N1086 PolarHBondContact CD2-ND2 3.15Å; H44-N1086 PolarHBondContact CE1-OD1 3.5Å; H44-N1086 VanDerWaalsContact CG-ND2 3.27Å; H44-N1086 PolarHBondContact ND1-ND2 3.24Å; H44-N1086 VanDerWaalsContact ND1-ND2 3.16Å; H44-N1086 PolarHBondContact NE2-OD1 2.84Å | ||
| 1087 | Q | 29.4 | Very low | 27.6 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 62% | 0.621 | 70% | 0.701 | S | S | * | * | 90.7 | 124.7 | 119.7 | -74.7 | 178.1 | -12.9 | 0 | 0 | 126.1 | |||||
| 1088 | S | 26.4 | Very low | 27.6 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | 70.5 | 105.4 | 134.6 | 65.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1089 | V | 26.5 | Very low | 27.8 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | 48.6 | 105.1 | 115.9 | -178.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1090 | R | 25.2 | Very low | 28.2 | Very low | 250 Ų | 250 | 139.4 Ų | 139.4 | 94% | 0.943 | 73% | 0.726 | S | S | * | * | -170.1 | 175.7 | 105.7 | -119.1 | 159.4 | -167.7 | 175.3 | 4.7 | 111.7 | |||||
| 1091 | A | 26.6 | Very low | 28.8 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -102.1 | 159.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1092 | L | 26.3 | Very low | 29.3 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | -172.6 | 127.7 | 119.6 | -99.8 | 164.7 | 0 | 0 | 0 | 115.4 | |||||
| 1093 | R | 27.8 | Very low | 29.8 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 60% | 0.596 | 73% | 0.731 | S | S | * | * | trans | -20.8 | 139.4 | 157.1 | -62.1 | 167.7 | 165.3 | 170.5 | -2.2 | 118.6 | ||||
| 1094 | Q | 30.8 | Very low | 30.3 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | 174.6 | 163.5 | 103.8 | -90 | -80.6 | -56.2 | 0 | 0 | 111.4 | |||||
| 1095 | P | 32.1 | Very low | 30.5 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 58% | 0.578 | 74% | 0.741 | S | S | * | * | trans | -114.5 | -173.9 | -159.7 | 43.8 | -35.4 | 0 | 0 | 0 | 115.4 | ||||
| 1096 | F | 32.2 | Very low | 30.9 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 90% | 0.895 | 75% | 0.75 | S | S | * | * | trans | -148 | 161 | 152.9 | -103.8 | -70.5 | 0 | 0 | 0 | 111.6 | ||||
| 1097 | D | 28.1 | Very low | 31 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -99.9 | 170.8 | -153.7 | -56.4 | -86.6 | 0 | 0 | 0 | 118.2 | ||||
| 1098 | A | 29.1 | Very low | 31.1 | Very low | 86 Ų | 86 | 146.6 Ų | 146.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 71.7 | 127.9 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1099 | L | 31.3 | Very low | 31.4 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | 178.7 | 157.2 | 97.7 | -92.2 | 169.1 | 0 | 0 | 0 | 112.4 | |||||
| 1100 | L | 34.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 148.6 | -178 | -65.2 | 91.2 | 0 | 0 | 0 | 113.2 | ||
| 1101 | P | 37.3 | Very low | 32 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 145.6 | 158.3 | 31.9 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 1102 | P | 34.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 146.7 | -167.2 | 29.3 | -36.2 | 0 | 0 | 0 | 114.7 | ||
| 1103 | L | 36.5 | Very low | 32.6 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 140.5 | 169.5 | -76.2 | 162.9 | 0 | 0 | 0 | 111.8 | A1105 | L1103-A1105 PolarHBondContact O-N 2.97Š|
| 1104 | P | 37.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 114 | 173.3 | 30.2 | -32.6 | 0 | 0 | 0 | 110.8 | ||||
| 1105 | A | 32 | Very low | 32.9 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -60 | 142.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1103 | L1103-A1105 PolarHBondContact O-N 2.97Š| ||
| 1106 | P | 35.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -64.2 | 138.3 | -177.1 | 25.3 | -34.3 | 0 | 0 | 0 | 112 | K1108 | P1106-K1108 PolarHBondContact O-N 3.15Å; P1106-K1108 VanDerWaalsContact O-N 3.1Å | ||
| 1107 | R | 31.9 | Very low | 33.1 | Very low | 237 Ų | 237 | 140 Ų | 140 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | trans | -73 | 101.9 | 179.6 | -73.5 | -179.5 | 174.5 | 170.9 | 0.2 | 110.8 | S1109 | R1107-S1109 PolarHBondContact O-N 3Š| ||
| 1108 | K | 30.9 | Very low | 33.2 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -60 | 106.9 | 163.3 | -67.2 | -170.9 | 177.2 | -173.1 | 0 | 110 | P1106 | P1106-K1108 PolarHBondContact O-N 3.15Å; P1106-K1108 VanDerWaalsContact O-N 3.1Å | ||
| 1109 | S | 32.2 | Very low | 33.3 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.1 | 158.8 | 40.4 | 0 | 0 | 0 | 0 | 108.9 | R1107 | R1107-S1109 PolarHBondContact O-N 3Š|
| 1110 | K | 31.8 | Very low | 33.2 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 122.6 | 177.8 | -67.9 | -171.5 | 175.2 | -167.3 | 0 | 110.2 | ||
| 1111 | S | 32.7 | Very low | 33.1 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -88 | 167.3 | 140.2 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1112 | I | 34.5 | Very low | 32.7 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -127.5 | 120.6 | 169.4 | -63.7 | 169.5 | 0 | 0 | 0 | 102.2 | ||||
| 1113 | G | 32.1 | Very low | 32.5 | Very low | 54 Ų | 54 | 141 Ų | 141 | 56% | 0.557 | 75% | 0.754 | S | S | * | * | 83.6 | 129.7 | 82.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1114 | D | 34 | Very low | 32.3 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | cis | -159.3 | -179.5 | 6.2 | -76.3 | -58.3 | 0 | 0 | 0 | 110.7 | ||||
| 1115 | L | 30.5 | Very low | 32.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 68.3 | 143.5 | 171.1 | -79.3 | 58.3 | 0 | 0 | 0 | 116.6 | ||||
| 1116 | H | 35.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | cis | -141 | 129.6 | -11.6 | -95.6 | -73.6 | 0 | 0 | 0 | 106.4 | ||||
| 1117 | Q | 31.7 | Very low | 32 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | 81.4 | 123.2 | 78.9 | -99 | -176.3 | -20.9 | 0 | 0 | 117.8 | |||||
| 1118 | N | 30.8 | Very low | 32 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | 69.8 | 142.7 | 153 | -57.1 | -11.8 | 0 | 0 | 0 | 118.3 | ||||
| 1119 | T | 31.4 | Very low | 32.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -152.8 | 142.1 | -2.1 | 8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1120 | R | 28.5 | Very low | 32 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 65% | 0.645 | 72% | 0.722 | S | S | * | * | 51 | 122.9 | 93.4 | -135.1 | -172.5 | -176.2 | 160.2 | 2.3 | 112.1 | |||||
| 1121 | I | 31.7 | Very low | 31.8 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | -157.3 | 136.5 | 58.1 | -83.2 | 168.9 | 0 | 0 | 0 | 112.4 | |||||
| 1122 | E | 29.5 | Very low | 31.7 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 63% | 0.631 | 73% | 0.734 | S | S | * | * | trans | 42.5 | 163.2 | 147.8 | -68.7 | 128.6 | -128 | 0 | 0 | 126.1 | ||||
| 1123 | S | 30.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -123.7 | -160.5 | -173.1 | 57.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1124 | P | 33.7 | Very low | 31.3 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -148.7 | -178.3 | 7.2 | 40.9 | -17.9 | 0 | 0 | 0 | 119.4 | ||||
| 1125 | T | 31.9 | Very low | 30.9 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 156.1 | 149.5 | 45 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1126 | H | 34.3 | Very low | 31.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | cis | -153.7 | 176.6 | -1.3 | -112.8 | -41.6 | 0 | 0 | 0 | 112.5 | ||||
| 1127 | L | 32.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 72% | 0.723 | 77% | 0.77 | S | S | * | * | trans | -36.9 | 142.7 | 178.2 | -73.6 | 69.4 | 0 | 0 | 0 | 116.9 | ||||
| 1128 | S | 31.8 | Very low | 30.9 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | 71.7 | 148.9 | 57 | 88.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1129 | T | 32.2 | Very low | 31 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | cis | -167.1 | 167.4 | 34.8 | -32.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1130 | G | 30 | Very low | 31.2 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -168.5 | 160.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1131 | M | 27.2 | Very low | 31.5 | Very low | 192 Ų | 192 | 148 Ų | 148 | 95% | 0.946 | 80% | 0.796 | S | S | * | * | trans | -125.9 | 145.4 | -173.1 | -59.4 | 172.9 | 74.2 | 0 | 0 | 114.5 | ||||
| 1132 | M | 30.9 | Very low | 31.7 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 99% | 0.985 | 81% | 0.805 | S | S | * | * | trans | -165.4 | 168.9 | 138.9 | -113.1 | -171.3 | -171.1 | 0 | 0 | 112.6 | ||||
| 1133 | S | 26.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -130.8 | 143.5 | -162.2 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1134 | F | 31.7 | Very low | 32 | Very low | 214 Ų | 214 | 150.8 Ų | 150.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -139.8 | 141.2 | 162.7 | -92.9 | -80.4 | 0 | 0 | 0 | 113.2 | ||||
| 1135 | N | 26.9 | Very low | 32 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -94.4 | 145.4 | 168.2 | -92.1 | -74 | 0 | 0 | 0 | 110 | ||||
| 1136 | L | 34.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 160 Ų | 160 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -156.3 | 155.3 | 152.2 | -112 | 165.8 | 0 | 0 | 0 | 111.2 | ||||
| 1137 | R | 28.7 | Very low | 32.3 | Very low | 229 Ų | 229 | 160.1 Ų | 160.1 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -147.7 | 148.4 | -165.1 | -170.9 | -177.7 | -175 | -168.3 | 4.4 | 110.9 | ||||
| 1138 | R | 34.4 | Very low | 32.4 | Very low | 233 Ų | 233 | 160.3 Ų | 160.3 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | 86.7 | 124 | 178.7 | -56.7 | 172.5 | 166.4 | 173.7 | -4.1 | 116.2 | ||||
| 1139 | S | 33.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 164.5 Ų | 164.5 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | -164.9 | 171.1 | 103.8 | -78.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1140 | A | 34.3 | Very low | 32.5 | Very low | 93 Ų | 93 | 165.6 Ų | 165.6 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | trans | -157.6 | 166.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1141 | K | 34.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 171 Ų | 171 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | trans | 66.1 | 122 | 159 | -70.6 | -175.8 | 174.8 | -178.2 | 0 | 120.8 | L1143 | K1141-L1143 HydrophobicContact CB-CD1 4.3Š| ||
| 1142 | Q | 35.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 166.9 Ų | 166.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | -137.4 | 132.6 | 124.3 | -62.2 | -171.2 | -6.6 | 0 | 0 | 106.1 | |||||
| 1143 | L | 33.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 163.9 Ų | 163.9 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | 73 | 139.7 | 55.9 | -83 | 88.4 | 0 | 0 | 0 | 114 | K1141 | K1141-L1143 HydrophobicContact CB-CD1 4.3Š| |||
| 1144 | A | 33.7 | Very low | 33.5 | Very low | 95 Ų | 95 | 167.4 Ų | 167.4 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | cis | -164.1 | 179 | -12.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1145 | M | 32.1 | Very low | 33.5 | Very low | 185 Ų | 185 | 165.9 Ų | 165.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -70.8 | 157.9 | -174.1 | -58.6 | 165.6 | 148.6 | 0 | 0 | 117.1 | ||||
| 1146 | K | 38.6 | Very low | 33.8 | Very low | 215 Ų | 215 | 163.1 Ų | 163.1 | 94% | 0.935 | 81% | 0.813 | S | S | * | * | trans | -151.6 | -179.1 | 135.9 | -119.6 | 176.1 | -177.6 | -176.4 | 0 | 112.9 | ||||
| 1147 | K | 35 | Very low | 33.4 | Very low | 167 Ų | 167 | 160.1 Ų | 160.1 | 73% | 0.726 | 80% | 0.802 | S | S | * | * | -158 | 150.5 | -129.2 | -172.4 | -160.9 | -175.2 | -146.5 | 0 | 113.5 | |||||
| 1148 | M | 33.5 | Very low | 33.5 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 70% | 0.704 | 80% | 0.801 | S | S | * | * | trans | 67.3 | 162.9 | 170.3 | -82.3 | 142 | 165.7 | 0 | 0 | 114.7 | ||||
| 1149 | E | 35.8 | Very low | 33.2 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | cis | -142 | -163.3 | 26.2 | -159.1 | 150.8 | -143.5 | 0 | 0 | 113.8 | ||||
| 1150 | E | 31.9 | Very low | 33.4 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -116.1 | 156.1 | -159.2 | -52.8 | 176.1 | 155.6 | 0 | 0 | 114.1 | ||||
| 1151 | Q | 32.5 | Very low | 33 | Very low | 189 Ų | 189 | 152.1 Ų | 152.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | -172.5 | 156.1 | 115.2 | -100.7 | 178.8 | 21.6 | 0 | 0 | 112.8 | |||||
| 1152 | P | 37.4 | Very low | 32.7 | Very low | 105 Ų | 105 | 152.9 Ų | 152.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | -115.7 | -174.4 | -178.2 | 34.6 | -17.3 | 0 | 0 | 0 | 113.2 | ||||
| 1153 | I | 32.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | trans | 156.4 | 143.1 | 132.5 | -80.6 | 159.7 | 0 | 0 | 0 | 113.2 | ||||
| 1154 | Q | 32.4 | Very low | 31.8 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | 57.6 | 88.8 | 160.8 | -76.7 | 150.8 | 4.4 | 0 | 0 | 122 | ||||
| 1155 | Q | 31.5 | Very low | 31.4 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | -11.9 | 168.3 | 103.7 | -97.2 | -179.6 | 0.3 | 0 | 0 | 118.7 | |||||
| 1156 | P | 33.7 | Very low | 31.2 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | cis | -143.6 | -169.6 | 8.6 | 27.6 | -0.1 | 0 | 0 | 0 | 117.1 | ||||
| 1157 | T | 26.2 | Very low | 30.7 | Very low | 114 Ų | 114 | 140 Ų | 140 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | 76.4 | 155.8 | 140.3 | 30.4 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1158 | E | 29.4 | Very low | 30.3 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 117.5 | 157.8 | -77.7 | 147.7 | -118.6 | 0 | 0 | 121.4 | ||||
| 1159 | A | 28.4 | Very low | 30.1 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 68% | 0.678 | S | S | * | * | trans | -121.3 | -168.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1160 | P | 39 | Very low | 29.7 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | cis | -125.9 | -139.7 | -14.7 | 41.2 | -25.4 | 0 | 0 | 0 | 110.8 | ||||
| 1161 | V | 25.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 75% | 0.745 | 67% | 0.674 | S | S | * | * | trans | 118.2 | 134.6 | 155.8 | -178.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1162 | Y | 28 | Very low | 29.4 | Very low | 202 Ų | 202 | 132.7 Ų | 132.7 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | trans | -60.6 | 161 | 178.1 | -53.9 | -102.6 | 0 | 0 | 0 | 114.5 | ||||
| 1163 | L | 24 | Very low | 29.2 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 61% | 0.613 | 68% | 0.678 | S | S | * | * | -169.9 | 173.8 | 102.8 | -102.3 | 169.8 | 0 | 0 | 0 | 114 | E1543 | L1163-E1543 WeakPolarHBondContact CD2-O 3.43Š| |||
| 1164 | L | 27.6 | Very low | 29 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 52% | 0.518 | 68% | 0.68 | S | S | . | * | trans | -105.5 | 165.3 | -178.4 | -70.1 | 83.5 | 0 | 0 | 0 | 110 | N1546 | L1164-N1546 WeakPolarHBondContact CB-O 3.27Š| ||
| 1165 | R | 24 | Very low | 29.3 | Very low | 140 Ų | 140 | 134 Ų | 134 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | trans | -176 | 154.3 | 140.9 | -100.1 | -83.7 | 146.6 | 120.5 | -7.5 | 115 | V1544 N1545 N1546 | R1165-V1544 HydrophobicContact CG-CG1 3.61Å; R1165-N1545 VanDerWaalsContact CD-O 3.23Å; R1165-N1545 WeakPolarHBondContact CD-O 3.38Å; R1165-N1545 PolarHBondContact NE-O 2.67Å; R1165-N1545 PolarHBondContact NH2-OD1 3.4Å; R1165-N1546 VanDerWaalsContact C-C 3.41Å; R1165-N1546 CarbonylContact C-O 3.19Å; R1165-N1546 WeakPolarHBondContact CA-O 3.26Å; R1165-N1546 PolarHBondContact N-O 3.39Å | ||
| 1166 | H | 28.2 | Very low | 29.4 | Very low | 42 Ų | 42 | 131.7 Ų | 131.7 | 19% | 0.194 | 67% | 0.673 | C | S | . | * | trans | -93 | 166.3 | 171.8 | -145.1 | 9.7 | 0 | 0 | 0 | 108.7 | N1546 N1547 A1548 | H1166-N1546 HydrophobicContact CB-CB 3.74Å; H1166-N1546 PolarHBondContact N-O 2.85Å; H1166-N1547 HydrophobicContact CB-CB 4.24Å; H1166-N1547 PolarHBondContact CE1-ND2 2.95Å; H1166-N1547 PolarHBondContact NE2-ND2 3.07Å; H1166-N1547 VanDerWaalsContact NE2-ND2 3.12Å; H1166-A1548 PolarHBondContact CE1-N 3.31Å; H1166-A1548 PolarHBondContact ND1-N 2.93Å; H1166-A1548 PolarHBondContact ND1-O 2.93Å | ||
| 1167 | Y | 27.2 | Very low | 29.3 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | cis | -142.1 | 151.4 | 34.6 | -77.7 | -95.4 | 0 | 0 | 0 | 109.7 | ||||
| 1168 | D | 28.4 | Very low | 29.8 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 36% | 0.358 | 68% | 0.676 | S | S | . | * | 47.8 | 130.3 | 71 | 175.2 | 44.9 | 0 | 0 | 0 | 114.6 | |||||
| 1169 | T | 28.3 | Very low | 29.9 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | 163 | 118.4 | 128.8 | 42.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1170 | K | 27.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | 66 | 154 | 128.3 | -57.7 | 164.9 | -176.9 | 158.2 | 0 | 122.4 | |||||
| 1171 | K | 30 | Very low | 29.9 | Very low | 183 Ų | 183 | 131.5 Ų | 131.5 | 80% | 0.796 | 67% | 0.666 | S | S | * | * | trans | 94.4 | 138.9 | 160.1 | -56.5 | 165 | -172.5 | 164.2 | 0 | 115.2 | ||||
| 1172 | K | 28.9 | Very low | 30.2 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | cis | -164.9 | 166.7 | -3.7 | -119.2 | 176.4 | -179 | -172.8 | 0 | 111.6 | ||||
| 1173 | R | 32.6 | Very low | 30.4 | Very low | 232 Ų | 232 | 137.9 Ų | 137.9 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | trans | 78.4 | 120.2 | 173.8 | -56.8 | 170.4 | 176.4 | 160.3 | -2.3 | 114.9 | ||||
| 1174 | S | 29.2 | Very low | 30.8 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | cis | 79 | 148.6 | 13.1 | 91.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1175 | P | 37.7 | Very low | 31 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | cis | -133.9 | -160.2 | -0.3 | 38 | -16.6 | 0 | 0 | 0 | 114.3 | ||||
| 1176 | V | 33.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | trans | 73.8 | 146.1 | 164.1 | 165 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1177 | S | 33.1 | Very low | 31.7 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -176.1 | 165.8 | -22.1 | 67.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1178 | V | 35 | Very low | 31.9 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -169.3 | 152.5 | -14.7 | 131.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1179 | D | 31.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 154 Ų | 154 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 50.5 | 145.9 | 164.2 | -71 | -7.2 | 0 | 0 | 0 | 122.8 | ||||
| 1180 | S | 32.7 | Very low | 32.1 | Very low | 89 Ų | 89 | 155.8 Ų | 155.8 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | cis | -163.2 | 163.1 | -19.3 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1181 | I | 34.8 | Very low | 32.3 | Very low | 143 Ų | 143 | 157.1 Ų | 157.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | trans | 74.3 | 104.1 | 154 | -66.4 | 160.1 | 0 | 0 | 0 | 121 | ||||
| 1182 | R | 31.5 | Very low | 32.5 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 57.4 | 109.8 | 141.9 | -62.2 | 177.2 | 177.5 | 166.1 | -1.2 | 119.6 | ||||
| 1183 | R | 32.5 | Very low | 32.8 | Very low | 239 Ų | 239 | 151.6 Ų | 151.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | 71.5 | 137.9 | 63.4 | -68.6 | -175.4 | -171 | -163.2 | 4 | 113.5 | |||||
| 1184 | S | 32.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -176.1 | 156.6 | -0.7 | 39.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1185 | A | 32.2 | Very low | 33.2 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | cis | -159.2 | 173.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1186 | L | 29.1 | Very low | 33 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -127.5 | 164.9 | -171.3 | -84.8 | 165.6 | 0 | 0 | 0 | 113 | ||||
| 1187 | P | 38 | Very low | 33 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | -82.9 | 177.6 | 174.7 | 37 | -37.2 | 0 | 0 | 0 | 112.8 | ||||
| 1188 | W | 31.2 | Very low | 33 | Very low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -118.5 | 141 | -180 | -82.9 | 75.5 | 0 | 0 | 0 | 113.7 | D1190 | W1188-D1190 WeakPolarHBondContact CZ3-OD2 3.09Š| ||
| 1189 | R | 27.9 | Very low | 33 | Very low | 249 Ų | 249 | 147.1 Ų | 147.1 | 94% | 0.94 | 76% | 0.757 | S | S | * | * | trans | -167.6 | 126.7 | 165.6 | -161.7 | -173.8 | -154.8 | -163.2 | 9 | 109.6 | ||||
| 1190 | D | 32.5 | Very low | 33 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -124.7 | 157.6 | -174.8 | -94.2 | -53 | 0 | 0 | 0 | 115.1 | W1188 | W1188-D1190 WeakPolarHBondContact CZ3-OD2 3.09Š| ||
| 1191 | K | 32.5 | Very low | 33 | Very low | 198 Ų | 198 | 147.6 Ų | 147.6 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -161.3 | 145.3 | 172.8 | -85.1 | -161.3 | 173.1 | -167.3 | 0 | 112.7 | ||||
| 1192 | S | 33.3 | Very low | 32.9 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -117.9 | 153.3 | 156.6 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1193 | L | 34.4 | Very low | 33.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | 79.9 | 137.4 | 35.6 | -66.3 | 163.9 | 0 | 0 | 0 | 112.8 | ||||
| 1194 | D | 35.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | cis | -156.9 | -175.1 | 27.2 | -134.9 | -38.3 | 0 | 0 | 0 | 116.6 | ||||
| 1195 | N | 35.1 | Very low | 33.3 | Very low | 143 Ų | 143 | 140.7 Ų | 140.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 79.1 | 147.6 | 163.1 | -59 | -40.6 | 0 | 0 | 0 | 120.8 | ||||
| 1196 | S | 34.3 | Very low | 33.4 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | cis | -166.9 | 155.8 | -20.1 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1197 | D | 33.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 141 Ų | 141 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | trans | 55.6 | 158.5 | 142.1 | -59.2 | -3.8 | 0 | 0 | 0 | 125.2 | Q926 | Q926-D1197 VanDerWaalsContact NE2-C 3.26Å; Q926-D1197 PolarHBondContact NE2-O 2.99Å | ||
| 1198 | F | 31.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | cis | -165.8 | 157.9 | -45 | -130.4 | -75.3 | 0 | 0 | 0 | 111.6 | Q926 | Q926-F1198 VanDerWaalsContact OE1-CA 3.28Š| ||
| 1199 | A | 36.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 136.9 Ų | 136.9 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | trans | 68 | 162.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1200 | S | 30.9 | Very low | 33.9 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | -172.2 | -178.2 | -35.9 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1201 | I | 34.1 | Very low | 33.9 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | 78.5 | 144.1 | 157.3 | -72.6 | 163.2 | 0 | 0 | 0 | 119.4 | ||||
| 1202 | K | 31.8 | Very low | 33.9 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | cis | -172.2 | 161.1 | -29 | -154.7 | 170.2 | -168.8 | 171.4 | 0 | 111.6 | ||||
| 1203 | A | 37.5 | Very low | 33.8 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | 69 | 151.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1204 | G | 33.3 | Very low | 33.6 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | -147.4 | 145.7 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1205 | K | 34 | Very low | 33.2 | Very low | 212 Ų | 212 | 130.6 Ų | 130.6 | 92% | 0.922 | 75% | 0.754 | S | S | * | * | 87.9 | 90.4 | 62.3 | -97.2 | -164 | 173.1 | -173.2 | 0 | 114.8 | |||||
| 1206 | S | 35 | Very low | 33 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 176.7 | 148.9 | 141.6 | 50.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1207 | I | 34.6 | Very low | 32.6 | Very low | 148 Ų | 148 | 134 Ų | 134 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | -162.8 | 140.4 | -38.2 | -128.4 | 166.6 | 0 | 0 | 0 | 110.1 | ||||
| 1208 | L | 33.9 | Very low | 32.4 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | 57.7 | 161.7 | 161.7 | -56.1 | 174.2 | 0 | 0 | 0 | 118.8 | ||||
| 1209 | T | 35 | Very low | 32.2 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | cis | -145.2 | 154.7 | -0.5 | -19.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1210 | S | 33 | Very low | 31.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 37.3 | 141.9 | 145.9 | 55.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1211 | S | 32.4 | Very low | 31.7 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | cis | -173.7 | 152.3 | -3.1 | 45.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1212 | R | 31.5 | Very low | 31.3 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | 46.2 | 133.1 | 150.7 | -64.3 | 172.2 | 175.9 | 163.3 | -3.3 | 118.7 | ||||
| 1213 | A | 31.9 | Very low | 31 | Very low | 99 Ų | 99 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -162.4 | -172.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1214 | S | 31.2 | Very low | 30.5 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | cis | -138.1 | -120.3 | -0.7 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1215 | L | 27.4 | Very low | 30.2 | Very low | 160 Ų | 160 | 153 Ų | 153 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -133.1 | 132.8 | -176 | -80.3 | 79.7 | 0 | 0 | 0 | 113.2 | ||||
| 1216 | K | 29.9 | Very low | 30.1 | Very low | 217 Ų | 217 | 149.4 Ų | 149.4 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -174.3 | 125.9 | 130.9 | -105 | 175.8 | -178.1 | -178 | 0 | 108.8 | ||||
| 1217 | G | 25.7 | Very low | 29.7 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -110.4 | 133.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1218 | V | 29.7 | Very low | 29.6 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -142.2 | 143.5 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1219 | F | 27.3 | Very low | 29.3 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -62.6 | 141.7 | -178.6 | -89.8 | -112 | 0 | 0 | 0 | 113.3 | ||||
| 1220 | R | 28.5 | Very low | 29 | Very low | 208 Ų | 208 | 151 Ų | 151 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -126.1 | 136.6 | 159.7 | -82.8 | -173.9 | 171.1 | -168.1 | -3.6 | 110.1 | ||||
| 1221 | R | 27.2 | Very low | 28.9 | Very low | 230 Ų | 230 | 153.9 Ų | 153.9 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -127 | 141.6 | 160.9 | -81.4 | -174.7 | 175.5 | 169.7 | 3.3 | 109 | ||||
| 1222 | T | 25.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 154 Ų | 154 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -149.3 | 144.9 | 176.4 | 38.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1223 | R | 26.8 | Very low | 28.7 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 61% | 0.611 | 78% | 0.779 | S | S | * | * | trans | 171.3 | 116.9 | 155.1 | -98 | 166.2 | -169.5 | -167.4 | 5 | 109.1 | I868 | I868-R1223 VanDerWaalsContact CD1-NH2 3.34Š| ||
| 1224 | L | 27.2 | Very low | 28.5 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | 78.8 | 107.5 | 82.1 | -74.8 | -171.6 | 0 | 0 | 0 | 114.5 | |||||
| 1225 | I | 27.2 | Very low | 28.3 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | -135.2 | 152.8 | 157.9 | -67.2 | -176.1 | 0 | 0 | 0 | 107.6 | ||||
| 1226 | V | 30.9 | Very low | 28.6 | Very low | 137 Ų | 137 | 151 Ų | 151 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -138.3 | 166 | -177.9 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1227 | S | 26.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -103.5 | -166.7 | -152.3 | 55 | 0 | 0 | 0 | 0 | 118 | ||||
| 1228 | A | 31.4 | Very low | 28.9 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 88.2 | 126 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1229 | R | 27.7 | Very low | 29.3 | Very low | 252 Ų | 252 | 144.3 Ų | 144.3 | 95% | 0.951 | 72% | 0.722 | S | S | * | * | cis | 71.6 | 139.6 | 45.7 | -79.8 | -170 | 175.3 | 174.5 | 0.5 | 114 | ||||
| 1230 | A | 29.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 139.1 Ų | 139.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | cis | -133.1 | -131.9 | 15.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1231 | R | 30.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | trans | -135.7 | 151 | -152.3 | -73.5 | 175.5 | 161.9 | 172.4 | -8.8 | 115.7 | S896 L897 | S896-R1231 WeakPolarHBondContact O-CD 3.48Å; L897-R1231 VanDerWaalsContact O-CB 3.3Å; L897-R1231 WeakPolarHBondContact O-CB 3.27Å; L897-R1231 WeakPolarHBondContact O-CD 3.37Å; L897-R1231 WeakPolarHBondContact O-CG 3.37Å; L897-R1231 PolarHBondContact O-NE 3.44Å | ||
| 1232 | L | 28.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 53% | 0.534 | 66% | 0.658 | S | S | . | * | trans | -161.3 | 156.9 | 158.7 | -90.1 | -163.8 | 0 | 0 | 0 | 115 | L897 S898 P899 | L897-L1232 HydrophobicContact CD1-CD2 3.85Å; S898-L1232 CarbonylContact C-O 3.48Å; S898-L1232 WeakPolarHBondContact CA-O 3.49Å; S898-L1232 PolarHBondContact N-O 2.68Å; S898-L1232 PolarHBondContact O-N 3.28Å; P899-L1232 WeakPolarHBondContact CD-O 3.29Å | ||
| 1233 | E | 30.8 | Very low | 31 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 55% | 0.551 | 65% | 0.654 | S | S | * | * | trans | 65.4 | 157.9 | -175.8 | -72.3 | 64.4 | -90.5 | 0 | 0 | 121.7 | L897 S898 | L897-E1233 CarbonylContact C-O 3.35Å; L897-E1233 WeakPolarHBondContact CA-O 3.37Å; S898-E1233 PolarHBondContact N-O 3.44Å | ||
| 1234 | N | 28.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | trans | -122 | 163.9 | -173.6 | -106.4 | 12.9 | 0 | 0 | 0 | 114.2 | L897 | L897-N1234 HydrophobicContact CD2-CB 4.34Š| ||
| 1235 | N | 27.3 | Very low | 32.1 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | trans | 62.1 | 168.4 | 166.2 | -68 | 17 | 0 | 0 | 0 | 121 | ||||
| 1236 | E | 32.5 | Very low | 32.6 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 84% | 0.836 | 62% | 0.623 | S | S | * | * | trans | 57.5 | 54.1 | 175.7 | -61.7 | -161.8 | 141.4 | 0 | 0 | 119.7 | ||||
| 1237 | K | 32.6 | Very low | 33 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 44% | 0.443 | 61% | 0.606 | S | S | . | * | trans | -131.6 | 24.3 | -179 | -76.8 | -170.8 | 173.5 | 118.6 | 0 | 119.5 | P899 I1240 | P899-K1237 HydrophobicContact CG-CD 4.04Å; P899-K1237 PolarHBondContact O-NZ 2.81Å; K1237-I1240 HydrophobicContact CG-CD1 4.4Å | ||
| 1238 | S | 30.9 | Very low | 33.6 | Very low | 96 Ų | 96 | 116.2 Ų | 116.2 | 67% | 0.671 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -64.4 | -61.8 | 165 | 41.6 | 0 | 0 | 0 | 0 | 112.3 | I1240 | S1238-I1240 PolarHBondContact O-N 2.99Š|
| 1239 | N | 36.3 | Very low | 34 | Very low | 100 Ų | 100 | 114.3 Ų | 114.3 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | -5.6 | -163.2 | -62.2 | 18.1 | 0 | 0 | 0 | 115.3 | ||
| 1240 | I | 37.7 | Very low | 34.5 | Very low | 85 Ų | 85 | 104 Ų | 104 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -80.4 | -20.6 | -175.6 | -65.3 | -179.7 | 0 | 0 | 0 | 112.7 | K1237 S1238 L1242 R1243 | K1237-I1240 HydrophobicContact CG-CD1 4.4Å; S1238-I1240 PolarHBondContact O-N 2.99Å; I1240-L1242 PolarHBondContact O-N 2.94Å; I1240-R1243 PolarHBondContact O-N 3.25Å |
| 1241 | N | 36.9 | Very low | 35.2 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -79.2 | -16.1 | -172.8 | -76.4 | -52.5 | 0 | 0 | 0 | 115.3 | N1245 | N1241-N1245 PolarHBondContact O-ND2 2.66Å; N1241-N1245 VanDerWaalsContact O-ND2 3.07Å |
| 1242 | L | 36.7 | Very low | 35.9 | Very low | 47 Ų | 47 | 107.1 Ų | 107.1 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -60.9 | -53.1 | 165.9 | -81.1 | 91.7 | 0 | 0 | 0 | 110.6 | I1240 N1244 N1245 W1246 E1371 | I1240-L1242 PolarHBondContact O-N 2.94Å; L1242-N1244 PolarHBondContact O-N 2.92Å; L1242-N1245 PolarHBondContact O-N 3.17Å; L1242-N1245 VanDerWaalsContact O-N 3.09Å; L1242-W1246 PolarHBondContact O-N 3.28Å; L1242-E1371 VanDerWaalsContact CD1-OE1 3.25Å; L1242-E1371 WeakPolarHBondContact CD1-OE1 3.24Å; L1242-E1371 WeakPolarHBondContact CD2-OE1 3.01Å |
| 1243 | R | 33.7 | Very low | 36.6 | Very low | 189 Ų | 189 | 107 Ų | 107 | 71% | 0.713 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -56.3 | -38.8 | -172.9 | -147.3 | 171.9 | -171.1 | 176.8 | 3.3 | 112 | I1240 L1247 | I1240-R1243 PolarHBondContact O-N 3.25Å; R1243-L1247 WeakPolarHBondContact O-CB 3.24Å; R1243-L1247 WeakPolarHBondContact O-CD1 3.27Å; R1243-L1247 VanDerWaalsContact O-CG 3.27Å; R1243-L1247 WeakPolarHBondContact O-CG 3.4Å; R1243-L1247 PolarHBondContact O-N 3.05Å |
| 1244 | N | 37.5 | Very low | 37.3 | Very low | 81 Ų | 81 | 106 Ų | 106 | 43% | 0.433 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 179.6 | -73.4 | -34.3 | 0 | 0 | 0 | 114 | L1242 S1248 | L1242-N1244 PolarHBondContact O-N 2.92Å; N1244-S1248 WeakPolarHBondContact O-CB 3.38Å; N1244-S1248 PolarHBondContact O-N 3.24Å |
| 1245 | N | 40 | Very low | 38.1 | Very low | 69 Ų | 69 | 106 Ų | 106 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -43.8 | 178.1 | -72.6 | -44 | 0 | 0 | 0 | 111 | N1241 L1242 S1248 A1249 | N1241-N1245 PolarHBondContact O-ND2 2.66Å; N1241-N1245 VanDerWaalsContact O-ND2 3.07Å; L1242-N1245 PolarHBondContact O-N 3.17Å; L1242-N1245 VanDerWaalsContact O-N 3.09Å; N1245-S1248 WeakPolarHBondContact O-CA 3.49Å; N1245-S1248 WeakPolarHBondContact O-CB 3.32Å; N1245-S1248 PolarHBondContact O-N 3.39Å; N1245-S1248 PolarHBondContact O-OG 2.96Å; N1245-A1249 PolarHBondContact O-N 3.1Å; N1245-A1249 VanDerWaalsContact O-N 3.07Å |
| 1246 | W | 37.3 | Very low | 39 | Very low | 179 Ų | 179 | 105.9 Ų | 105.9 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 174.7 | -162.9 | 87.8 | 0 | 0 | 0 | 112 | L1242 S1248 A1249 S1250 | L1242-W1246 PolarHBondContact O-N 3.28Å; W1246-S1248 PolarHBondContact O-N 3.06Å; W1246-A1249 PolarHBondContact O-N 2.92Å; W1246-S1250 WeakPolarHBondContact O-CB 3.33Å; W1246-S1250 PolarHBondContact O-N 3.08Å; W1246-S1250 PolarHBondContact O-OG 3.04Å |
| 1247 | L | 39.3 | Very low | 39.3 | Very low | 90 Ų | 90 | 100.7 Ų | 100.7 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.4 | -30.1 | 170.5 | -79.4 | 167.4 | 0 | 0 | 0 | 113.2 | R1243 R1251 | R1243-L1247 WeakPolarHBondContact O-CB 3.24Å; R1243-L1247 WeakPolarHBondContact O-CD1 3.27Å; R1243-L1247 VanDerWaalsContact O-CG 3.27Å; R1243-L1247 WeakPolarHBondContact O-CG 3.4Å; R1243-L1247 PolarHBondContact O-N 3.05Å; L1247-R1251 VanDerWaalsContact O-CB 3.31Å; L1247-R1251 WeakPolarHBondContact O-CB 3.22Å; L1247-R1251 WeakPolarHBondContact O-CG 3.16Å; L1247-R1251 PolarHBondContact O-N 3.43Å |
| 1248 | S | 40.1 | Very low | 39.5 | Very low | 52 Ų | 52 | 99 Ų | 99 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -75.5 | -38.3 | 177.4 | 88.1 | 0 | 0 | 0 | 0 | 112.8 | N1244 N1245 W1246 R1251 R1252 | N1244-S1248 WeakPolarHBondContact O-CB 3.38Å; N1244-S1248 PolarHBondContact O-N 3.24Å; N1245-S1248 WeakPolarHBondContact O-CA 3.49Å; N1245-S1248 WeakPolarHBondContact O-CB 3.32Å; N1245-S1248 PolarHBondContact O-N 3.39Å; N1245-S1248 PolarHBondContact O-OG 2.96Å; W1246-S1248 PolarHBondContact O-N 3.06Å; S1248-R1251 PolarHBondContact O-N 3.28Å; S1248-R1252 WeakPolarHBondContact O-CG 3.23Å; S1248-R1252 PolarHBondContact O-N 3.07Å |
| 1249 | A | 39.2 | Very low | 40 | Very low | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | N1245 W1246 R1251 R1252 K1253 | N1245-A1249 PolarHBondContact O-N 3.1Å; N1245-A1249 VanDerWaalsContact O-N 3.07Å; W1246-A1249 PolarHBondContact O-N 2.92Å; A1249-R1251 VanDerWaalsContact C-N 3.25Å; A1249-R1251 PolarHBondContact O-N 2.99Å; A1249-R1252 WeakPolarHBondContact O-CA 3.44Å; A1249-R1252 WeakPolarHBondContact O-CB 3.46Å; A1249-R1252 PolarHBondContact O-N 2.85Å; A1249-K1253 PolarHBondContact O-N 3.23Å |
| 1250 | S | 39.2 | Very low | 40.1 | Very low | 37 Ų | 37 | 102.8 Ų | 102.8 | 26% | 0.259 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -34 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | W1246 K1253 I1254 | W1246-S1250 WeakPolarHBondContact O-CB 3.33Å; W1246-S1250 PolarHBondContact O-N 3.08Å; W1246-S1250 PolarHBondContact O-OG 3.04Å; S1250-K1253 PolarHBondContact O-N 2.88Å; S1250-I1254 VanDerWaalsContact O-CG1 3.31Å; S1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; S1250-I1254 PolarHBondContact O-N 3.09Å |
| 1251 | R | 43.7 | Very low | 40 | Very low | 147 Ų | 147 | 102.5 Ų | 102.5 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | 170 | -88.1 | -178.4 | 169 | -178 | -1.4 | 113.5 | L1247 S1248 A1249 I1254 E1255 | L1247-R1251 VanDerWaalsContact O-CB 3.31Å; L1247-R1251 WeakPolarHBondContact O-CB 3.22Å; L1247-R1251 WeakPolarHBondContact O-CG 3.16Å; L1247-R1251 PolarHBondContact O-N 3.43Å; S1248-R1251 PolarHBondContact O-N 3.28Å; A1249-R1251 VanDerWaalsContact C-N 3.25Å; A1249-R1251 PolarHBondContact O-N 2.99Å; R1251-I1254 PolarHBondContact O-N 3.11Å; R1251-E1255 PolarHBondContact O-N 3.13Å |
| 1252 | R | 45.7 | Very low | 40.1 | Very low | 177 Ų | 177 | 106.2 Ų | 106.2 | 67% | 0.668 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -42.9 | 173.2 | -67.6 | -177.9 | -162.9 | -174.7 | 8.4 | 111.1 | S1248 A1249 E1255 Q1256 | S1248-R1252 WeakPolarHBondContact O-CG 3.23Å; S1248-R1252 PolarHBondContact O-N 3.07Å; A1249-R1252 WeakPolarHBondContact O-CA 3.44Å; A1249-R1252 WeakPolarHBondContact O-CB 3.46Å; A1249-R1252 PolarHBondContact O-N 2.85Å; R1252-E1255 PolarHBondContact O-N 3.15Å; R1252-Q1256 PolarHBondContact O-N 3.12Å |
| 1253 | K | 42.8 | Very low | 40.3 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.2 | -51.9 | 174.4 | -145.6 | 163.5 | -172.3 | 171.9 | 0 | 109.6 | S466 A1249 S1250 E1255 Q1256 T1257 | S466-K1253 PolarHBondContact OG-NZ 3.05Å; S466-K1253 VanDerWaalsContact OG-NZ 3.1Å; A1249-K1253 PolarHBondContact O-N 3.23Å; S1250-K1253 PolarHBondContact O-N 2.88Å; K1253-E1255 PolarHBondContact O-N 3.09Å; K1253-Q1256 PolarHBondContact O-N 2.69Å; K1253-T1257 PolarHBondContact O-N 2.83Å; K1253-T1257 PolarHBondContact O-OG1 3.46Å |
| 1254 | I | 44.5 | Very low | 40.6 | Very low | 96 Ų | 96 | 110.3 Ų | 110.3 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -44.7 | 173.8 | -69.2 | 166 | 0 | 0 | 0 | 112.6 | S1250 R1251 Q1256 T1257 C1258 | S1250-I1254 VanDerWaalsContact O-CG1 3.31Å; S1250-I1254 WeakPolarHBondContact O-CG1 3.27Å; S1250-I1254 PolarHBondContact O-N 3.09Å; R1251-I1254 PolarHBondContact O-N 3.11Å; I1254-Q1256 PolarHBondContact O-N 3.3Å; I1254-T1257 PolarHBondContact O-N 3.07Å; I1254-C1258 VanDerWaalsContact O-CB 3.23Å; I1254-C1258 WeakPolarHBondContact O-CB 3.47Å; I1254-C1258 PolarHBondContact O-N 2.97Å; I1254-C1258 PolarHBondContact O-SG 3.33Å; I1254-C1258 VanDerWaalsContact O-SG 3.39Å |
| 1255 | E | 46.5 | Very low | 40.6 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -33.8 | 178.3 | -85.8 | -152.6 | -177.9 | 0 | 0 | 113.8 | R1251 R1252 K1253 K1259 | R1251-E1255 PolarHBondContact O-N 3.13Å; R1252-E1255 PolarHBondContact O-N 3.15Å; K1253-E1255 PolarHBondContact O-N 3.09Å; E1255-K1259 WeakPolarHBondContact O-CD 3.39Å; E1255-K1259 VanDerWaalsContact O-CG 3.24Å; E1255-K1259 WeakPolarHBondContact O-CG 3.29Å; E1255-K1259 PolarHBondContact O-N 3.37Å; E1255-K1259 VanDerWaalsContact O-N 3.11Å; E1255-K1259 IonicContact OE2-NZ 3.11Å; E1255-K1259 PolarHBondContact OE2-NZ 3.18Å; E1255-K1259 VanDerWaalsContact OE2-NZ 3.17Å |
| 1256 | Q | 45.3 | Very low | 40.2 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.4 | -48.1 | 174.4 | -78.8 | 172 | -41.7 | 0 | 0 | 110.6 | R1252 K1253 I1254 C1258 K1259 W1260 | R1252-Q1256 PolarHBondContact O-N 3.12Å; K1253-Q1256 PolarHBondContact O-N 2.69Å; I1254-Q1256 PolarHBondContact O-N 3.3Å; Q1256-C1258 VanDerWaalsContact C-N 3.26Å; Q1256-C1258 PolarHBondContact O-N 2.86Å; Q1256-K1259 WeakPolarHBondContact O-CA 3.48Å; Q1256-K1259 WeakPolarHBondContact O-CB 3.21Å; Q1256-K1259 PolarHBondContact O-N 3.26Å; Q1256-W1260 PolarHBondContact O-N 3.23Å |
| 1257 | T | 39.8 | Very low | 39.9 | Very low | 70 Ų | 70 | 117.9 Ų | 117.9 | 43% | 0.429 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.4 | -36.9 | 174.7 | -42.8 | 0 | 0 | 0 | 0 | 111.6 | K1253 I1254 K1259 W1260 L1261 | K1253-T1257 PolarHBondContact O-N 2.83Å; K1253-T1257 PolarHBondContact O-OG1 3.46Å; I1254-T1257 PolarHBondContact O-N 3.07Å; T1257-K1259 VanDerWaalsContact C-N 3.35Å; T1257-K1259 PolarHBondContact O-N 3.17Å; T1257-W1260 PolarHBondContact O-N 2.91Å; T1257-L1261 HydrophobicContact CG2-CD1 3.9Å; T1257-L1261 HydrophobicContact CG2-CG 4.33Å; T1257-L1261 VanDerWaalsContact O-CB 3.25Å; T1257-L1261 WeakPolarHBondContact O-CB 3.31Å; T1257-L1261 WeakPolarHBondContact O-CG 3.21Å; T1257-L1261 PolarHBondContact O-N 3.14Å |
| 1258 | C | 37 | Very low | 39.6 | Very low | 67 Ų | 67 | 123 Ų | 123 | 45% | 0.453 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -77 | -11.3 | 174.4 | -73.6 | 0 | 0 | 0 | 0 | 115.1 | I1254 Q1256 K1262 | I1254-C1258 VanDerWaalsContact O-CB 3.23Å; I1254-C1258 WeakPolarHBondContact O-CB 3.47Å; I1254-C1258 PolarHBondContact O-N 2.97Å; I1254-C1258 PolarHBondContact O-SG 3.33Å; I1254-C1258 VanDerWaalsContact O-SG 3.39Å; Q1256-C1258 VanDerWaalsContact C-N 3.26Å; Q1256-C1258 PolarHBondContact O-N 2.86Å; C1258-K1262 WeakPolarHBondContact O-CG 3.26Å |
| 1259 | K | 40.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -85.3 | -39.2 | 166.4 | -77.2 | 161.7 | -170.9 | 149.5 | 0 | 110.8 | E1255 Q1256 T1257 K1262 | E1255-K1259 WeakPolarHBondContact O-CD 3.39Å; E1255-K1259 VanDerWaalsContact O-CG 3.24Å; E1255-K1259 WeakPolarHBondContact O-CG 3.29Å; E1255-K1259 PolarHBondContact O-N 3.37Å; E1255-K1259 VanDerWaalsContact O-N 3.11Å; E1255-K1259 IonicContact OE2-NZ 3.11Å; E1255-K1259 PolarHBondContact OE2-NZ 3.18Å; E1255-K1259 VanDerWaalsContact OE2-NZ 3.17Å; Q1256-K1259 WeakPolarHBondContact O-CA 3.48Å; Q1256-K1259 WeakPolarHBondContact O-CB 3.21Å; Q1256-K1259 PolarHBondContact O-N 3.26Å; T1257-K1259 VanDerWaalsContact C-N 3.35Å; T1257-K1259 PolarHBondContact O-N 3.17Å; K1259-K1262 PolarHBondContact O-N 3.34Å |
| 1260 | W | 38.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.2 | -55.1 | 175.7 | -156 | 85.1 | 0 | 0 | 0 | 110.9 | Q1256 T1257 K1262 R1263 | Q1256-W1260 PolarHBondContact O-N 3.23Å; T1257-W1260 PolarHBondContact O-N 2.91Å; W1260-K1262 PolarHBondContact O-N 3.13Å; W1260-R1263 PolarHBondContact O-N 2.91Å |
| 1261 | L | 37.1 | Very low | 38.5 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 41% | 0.414 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | 0.6 | 172.3 | -70.9 | 171 | 0 | 0 | 0 | 115.5 | T1257 | T1257-L1261 HydrophobicContact CG2-CD1 3.9Å; T1257-L1261 HydrophobicContact CG2-CG 4.33Å; T1257-L1261 VanDerWaalsContact O-CB 3.25Å; T1257-L1261 WeakPolarHBondContact O-CB 3.31Å; T1257-L1261 WeakPolarHBondContact O-CG 3.21Å; T1257-L1261 PolarHBondContact O-N 3.14Å |
| 1262 | K | 38.5 | Very low | 38.1 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 73% | 0.73 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -4.2 | 171.9 | -90.1 | -176.1 | 174 | 173 | 0 | 114.6 | C1258 K1259 W1260 | C1258-K1262 WeakPolarHBondContact O-CG 3.26Å; K1259-K1262 PolarHBondContact O-N 3.34Å; W1260-K1262 PolarHBondContact O-N 3.13Å |
| 1263 | R | 41.1 | Very low | 37.7 | Very low | 218 Ų | 218 | 137.5 Ų | 137.5 | 82% | 0.823 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -47.2 | 164.1 | -78.6 | -179.7 | 162.9 | 153.3 | -7.2 | 110.3 | W1260 R1265 | W1260-R1263 PolarHBondContact O-N 2.91Å; R1263-R1265 PolarHBondContact O-N 3.09Å |
| 1264 | D | 39 | Very low | 37.1 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 56% | 0.556 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 24.3 | -170.8 | -45.2 | -41.5 | 0 | 0 | 0 | 114.8 | ||
| 1265 | R | 37.1 | Very low | 36.6 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 14.8 | -178.7 | -77.1 | -166.6 | 170.4 | -168.7 | -2.6 | 115.4 | R1263 | R1263-R1265 PolarHBondContact O-N 3.09Š|
| 1266 | M | 32.9 | Very low | 35.9 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -129.1 | 54.6 | 171.5 | -61.7 | -150.5 | 77 | 0 | 0 | 112.2 | ||
| 1267 | S | 31.4 | Very low | 35.3 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -146.3 | 74.3 | 171.7 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1268 | K | 32.1 | Very low | 35.1 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 172.3 | 137.1 | 148.2 | -97.1 | 156 | -174 | 175.4 | 0 | 111.1 | ||
| 1269 | R | 32 | Very low | 34.8 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | 45.9 | 114.8 | 157.3 | -62.4 | 178.9 | 178.5 | 162.6 | -1.7 | 118.8 | ||||
| 1270 | D | 32.9 | Very low | 34.7 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 95% | 0.947 | 76% | 0.756 | S | S | * | * | -119.4 | 137.5 | 117.3 | -96.1 | -44.7 | 0 | 0 | 0 | 107.3 | |||||
| 1271 | S | 31 | Very low | 34.5 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 60% | 0.601 | 77% | 0.77 | S | S | * | * | trans | -150.5 | 116.7 | -175 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1272 | H | 34.7 | Very low | 34.3 | Very low | 189 Ų | 189 | 152 Ų | 152 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -141.8 | 152.5 | 167.1 | -87.5 | -62.1 | 0 | 0 | 0 | 111.2 | ||||
| 1273 | P | 36.9 | Very low | 34 | Very low | 100 Ų | 100 | 156 Ų | 156 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -132.4 | -158.8 | -140.1 | 32.1 | -8.1 | 0 | 0 | 0 | 113.2 | ||||
| 1274 | L | 31.4 | Very low | 33.5 | Very low | 158 Ų | 158 | 151.7 Ų | 151.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 71.4 | 124.1 | -174.2 | -65.7 | 68.9 | 0 | 0 | 0 | 111.7 | ||||
| 1275 | S | 32.5 | Very low | 33.3 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | cis | -143.3 | 123.5 | 39.1 | 47.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1276 | T | 32.8 | Very low | 33.1 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | 41.8 | 151.5 | 129.2 | 38.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1277 | P | 32.9 | Very low | 33 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -135.1 | 178.3 | -131.9 | 43.9 | -28.3 | 0 | 0 | 0 | 116.9 | ||||
| 1278 | T | 35.5 | Very low | 33 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 133.6 | 159.2 | 23.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1279 | Q | 30.5 | Very low | 33 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -96.6 | 152.6 | 169.1 | -61.3 | -173.3 | -5.9 | 0 | 0 | 110 | ||||
| 1280 | P | 37.7 | Very low | 32.8 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | -144.5 | 178.6 | 82 | 36.4 | -18 | 0 | 0 | 0 | 113.3 | |||||
| 1281 | K | 34.1 | Very low | 32.8 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | cis | -155.2 | 164.2 | -18.9 | -115 | -177.6 | 176 | -177.8 | 0 | 107.5 | ||||
| 1282 | P | 32.6 | Very low | 32.6 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | trans | -97.7 | 175.5 | -173.4 | 39.1 | -36.1 | 0 | 0 | 0 | 115 | Q1284 | P1282-Q1284 HydrophobicContact CG-CG 4.5Š| ||
| 1283 | R | 33.3 | Very low | 32.5 | Very low | 254 Ų | 254 | 144.2 Ų | 144.2 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | trans | -121 | 135 | 148.8 | -98.4 | -173.2 | 172.4 | -179.8 | -2 | 109.2 | ||||
| 1284 | Q | 30.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 59% | 0.593 | 78% | 0.779 | S | S | * | * | trans | -121.7 | 148.4 | -175.9 | -63.3 | 154.4 | -96.6 | 0 | 0 | 110.4 | P1282 H1286 | P1282-Q1284 HydrophobicContact CG-CG 4.5Å; Q1284-H1286 PolarHBondContact NE2-NE2 2.88Å | ||
| 1285 | V | 33.7 | Very low | 32 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | trans | -143.4 | 92.3 | 140.8 | -173.8 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 1286 | H | 33.4 | Very low | 32.2 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 57% | 0.569 | 78% | 0.782 | S | S | * | * | 55.8 | 101.7 | 86.1 | -77.4 | -72.4 | 0 | 0 | 0 | 112.1 | Q1284 | Q1284-H1286 PolarHBondContact NE2-NE2 2.88Š| |||
| 1287 | S | 30.3 | Very low | 32.1 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | 74.9 | 144.7 | 75.7 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1288 | E | 32.4 | Very low | 31.9 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | cis | -147 | 179.9 | 36.4 | -59.1 | 168.7 | 137.7 | 0 | 0 | 110.3 | ||||
| 1289 | S | 32.5 | Very low | 31.8 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | cis | -152.8 | 142.4 | 5.1 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1290 | D | 27.6 | Very low | 31.7 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 145 | 160.7 | -76.8 | -52.7 | 0 | 0 | 0 | 110.8 | ||||
| 1291 | V | 32.4 | Very low | 31.4 | Very low | 127 Ų | 127 | 149 Ų | 149 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -131.6 | 128.8 | 164.2 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1292 | K | 27.7 | Very low | 31.2 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -97.4 | 133.2 | -177.8 | -58 | 169.9 | -177.6 | 171.4 | 0 | 111.6 | ||||
| 1293 | F | 31.2 | Very low | 30.9 | Very low | 179 Ų | 179 | 154 Ų | 154 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -136.9 | 115.7 | 145.6 | -83.4 | -90.4 | 0 | 0 | 0 | 106.3 | ||||
| 1294 | L | 32.4 | Very low | 30.8 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | 58.7 | 103.9 | 85.1 | -71.9 | 168.6 | 0 | 0 | 0 | 111.7 | |||||
| 1295 | G | 26.9 | Very low | 30.7 | Very low | 72 Ų | 72 | 152 Ų | 152 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -105.9 | 172.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1296 | P | 35.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -119.3 | -172.3 | 160.9 | 38.7 | -27.3 | 0 | 0 | 0 | 112.5 | ||||
| 1297 | E | 30.6 | Very low | 30.7 | Very low | 195 Ų | 195 | 155 Ų | 155 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -99.3 | -177.1 | -158.2 | -57.2 | 179.7 | 120.7 | 0 | 0 | 115.9 | ||||
| 1298 | L | 29 | Very low | 30.7 | Very low | 167 Ų | 167 | 159 Ų | 159 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -64.7 | 155.7 | -177 | -66.6 | 155 | 0 | 0 | 0 | 115 | ||||
| 1299 | P | 34.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | trans | -117.2 | 161.8 | 137.1 | 35.2 | -29.4 | 0 | 0 | 0 | 113.4 | ||||
| 1300 | K | 28.3 | Very low | 30.9 | Very low | 193 Ų | 193 | 157 Ų | 157 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -94.5 | 161.9 | -176.1 | -79.6 | 177.2 | 179.4 | 174.8 | 0 | 112.7 | ||||
| 1301 | P | 30.2 | Very low | 31.2 | Very low | 119 Ų | 119 | 158.4 Ų | 158.4 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -80 | 165.9 | -172.6 | 33.3 | -37.9 | 0 | 0 | 0 | 114.5 | ||||
| 1302 | F | 29.2 | Very low | 31.2 | Very low | 196 Ų | 196 | 156.9 Ų | 156.9 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -118.8 | 147.2 | 174.9 | -86.3 | -97.1 | 0 | 0 | 0 | 112.2 | ||||
| 1303 | F | 27.2 | Very low | 31.5 | Very low | 195 Ų | 195 | 154.2 Ų | 154.2 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -135 | 160.4 | 165.8 | -88.9 | -84.9 | 0 | 0 | 0 | 108.8 | ||||
| 1304 | L | 31.1 | Very low | 31.8 | Very low | 168 Ų | 168 | 151 Ų | 151 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -136.6 | 150 | 178.5 | -71 | 171 | 0 | 0 | 0 | 111.4 | ||||
| 1305 | L | 28.1 | Very low | 31.6 | Very low | 172 Ų | 172 | 152 Ų | 152 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -139.1 | 138.7 | -173.5 | -77.1 | 169 | 0 | 0 | 0 | 112.8 | ||||
| 1306 | P | 34.9 | Very low | 31.9 | Very low | 125 Ų | 125 | 155.6 Ų | 155.6 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -150.4 | 164.9 | 132.6 | 35.7 | -18.7 | 0 | 0 | 0 | 114.5 | ||||
| 1307 | K | 33.7 | Very low | 31.8 | Very low | 203 Ų | 203 | 156.9 Ų | 156.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | cis | -163.3 | 179.2 | -28.7 | -133 | -159.8 | 179.8 | -164.6 | 0 | 110.7 | ||||
| 1308 | E | 29.4 | Very low | 32 | Very low | 175 Ų | 175 | 152.7 Ų | 152.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -96.4 | 178.9 | 177.5 | -69 | 174.5 | 138.1 | 0 | 0 | 112.2 | ||||
| 1309 | P | 37.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 153.7 Ų | 153.7 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | cis | -145.9 | 175.3 | 20.5 | 43.1 | -21.7 | 0 | 0 | 0 | 120.3 | ||||
| 1310 | E | 31.8 | Very low | 32 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | trans | 31.3 | 157 | 140.3 | -51 | 168.1 | 133.6 | 0 | 0 | 122.3 | ||||
| 1311 | Y | 34.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | cis | -155.8 | 158.4 | 27.9 | -96.7 | -77 | 0 | 0 | 0 | 115 | ||||
| 1312 | A | 32.4 | Very low | 32.2 | Very low | 95 Ų | 95 | 156.4 Ų | 156.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 60.8 | 146.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1313 | T | 33.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 155.3 Ų | 155.3 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -112.3 | 168.4 | 169.2 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1314 | P | 37.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | -157.6 | 163.6 | 97.9 | 40 | -20.3 | 0 | 0 | 0 | 119 | |||||
| 1315 | F | 29.6 | Very low | 32.2 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | 29.1 | 131.3 | 145 | -79 | -103.6 | 0 | 0 | 0 | 124.3 | ||||
| 1316 | V | 33.3 | Very low | 32.3 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -144.4 | 149.6 | 120.2 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1317 | E | 31.5 | Very low | 31.9 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 170.9 | -173.5 | -98.4 | -168.3 | 108.1 | 0 | 0 | 116.1 | ||||
| 1318 | P | 35.1 | Very low | 32.1 | Very low | 106 Ų | 106 | 149.5 Ų | 149.5 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -104.3 | 164.7 | -168.5 | 40.2 | -36.2 | 0 | 0 | 0 | 116.6 | ||||
| 1319 | Q | 35.2 | Very low | 31.9 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -137.2 | 124 | 160.7 | -61.6 | -179.6 | -5.2 | 0 | 0 | 107.1 | ||||
| 1320 | Q | 29.3 | Very low | 31.4 | Very low | 169 Ų | 169 | 152 Ų | 152 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | 65.9 | 104.8 | 58 | -72.6 | -148.9 | 20.7 | 0 | 0 | 115.9 | |||||
| 1321 | I | 34.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | 178.9 | 104.5 | 144.6 | -91.5 | 148.1 | 0 | 0 | 0 | 104.7 | ||||
| 1322 | K | 28.5 | Very low | 31 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 71% | 0.709 | 77% | 0.766 | S | S | * | * | 83.2 | 103.4 | 69.6 | -84.4 | -169.2 | 175 | -178.3 | 0 | 115 | |||||
| 1323 | H | 29.9 | Very low | 30.8 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | trans | 56.6 | 165.5 | 152.4 | -56.5 | -83.5 | 0 | 0 | 0 | 117.5 | ||||
| 1324 | T | 30.6 | Very low | 30.4 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | cis | -130.4 | 166.9 | 7.7 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1325 | D | 26.2 | Very low | 29.9 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | -33.6 | 147.3 | 166.9 | -41 | -80.1 | 0 | 0 | 0 | 117.8 | ||||
| 1326 | Y | 30.5 | Very low | 29.7 | Very low | 234 Ų | 234 | 155.1 Ų | 155.1 | 92% | 0.918 | 77% | 0.774 | S | S | * | * | trans | -159.3 | 127.9 | 137.1 | -103.3 | -67.3 | 0 | 0 | 0 | 112.9 | ||||
| 1327 | L | 27 | Very low | 29.5 | Very low | 156 Ų | 156 | 155.5 Ų | 155.5 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | -124.4 | 171 | 165.4 | -82.7 | 165.4 | 0 | 0 | 0 | 106.4 | ||||
| 1328 | P | 37.6 | Very low | 29.2 | Very low | 97 Ų | 97 | 152 Ų | 152 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | cis | -135.4 | -154.4 | -37.2 | 35.6 | -15.2 | 0 | 0 | 0 | 111.1 | ||||
| 1329 | M | 25.3 | Very low | 29 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | 80.6 | 135 | 141.7 | -98.9 | 161.2 | 43.6 | 0 | 0 | 122.5 | ||||
| 1330 | Y | 27.7 | Very low | 28.6 | Very low | 184 Ų | 184 | 149.7 Ų | 149.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 63.3 | 163.6 | 153.8 | -72.1 | -62.6 | 0 | 0 | 0 | 118.7 | ||||
| 1331 | H | 27.5 | Very low | 28.8 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | cis | -144.1 | 176 | -3.4 | -130.5 | -55.3 | 0 | 0 | 0 | 110.4 | ||||
| 1332 | D | 28.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -56.4 | 154.3 | 171.1 | -46 | -102.9 | 0 | 0 | 0 | 114.1 | ||||
| 1333 | K | 27.9 | Very low | 28.7 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | -158.5 | 123.2 | 123.8 | -111.5 | 158.9 | -171.1 | 174.4 | 0 | 112.9 | |||||
| 1334 | S | 25.2 | Very low | 28.7 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -60.8 | 137 | 158.7 | 52 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1335 | M | 27.5 | Very low | 28.8 | Very low | 178 Ų | 178 | 147 Ų | 147 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -127.7 | 94.9 | 161.2 | -140.8 | 168.8 | -169.9 | 0 | 0 | 109.1 | ||||
| 1336 | I | 25 | Very low | 29.1 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -73.8 | 124.2 | 165 | -63.5 | 170.3 | 0 | 0 | 0 | 106.1 | ||||
| 1337 | L | 29.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | -121.3 | 97 | 164.4 | -98.4 | 163.2 | 0 | 0 | 0 | 107.7 | ||||
| 1338 | S | 25.5 | Very low | 29.3 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -78.6 | 179.3 | 163.7 | 50.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1339 | S | 29.4 | Very low | 29 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | trans | 70.8 | 136.1 | -179.8 | 69.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1340 | D | 28.1 | Very low | 29.3 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | cis | -160.8 | -176.8 | -14.7 | -114.7 | -42.8 | 0 | 0 | 0 | 112.5 | ||||
| 1341 | E | 32.1 | Very low | 29.3 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 68.9 | 84 | 158 | -75.3 | 176.6 | -174.1 | 0 | 0 | 120.2 | ||||
| 1342 | T | 28.4 | Very low | 29.6 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | 36.2 | 119 | 119.9 | 57.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1343 | T | 33.3 | Very low | 29.5 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | -165 | 136.5 | 109.2 | 11.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1344 | T | 30.5 | Very low | 29.8 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -64.8 | 156.8 | 154.6 | 43.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1345 | E | 31.6 | Very low | 29.9 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | -157.4 | 158.4 | 32.8 | -132.6 | 175.2 | 166.4 | 0 | 0 | 106.4 | ||||
| 1346 | L | 32 | Very low | 30 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | -173 | 140.2 | 61.7 | -122.4 | 143 | 0 | 0 | 0 | 111.3 | |||||
| 1347 | L | 31.2 | Very low | 30.1 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 167.1 | 161.9 | -93 | 94.2 | 0 | 0 | 0 | 110.7 | ||||
| 1348 | S | 31.1 | Very low | 30.1 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | cis | -162.3 | 163.4 | 5.1 | 165.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1349 | N | 31.1 | Very low | 30.4 | Very low | 142 Ų | 142 | 146 Ų | 146 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 152.8 | 99.5 | 121.9 | -78.6 | -52.8 | 0 | 0 | 0 | 113.9 | |||||
| 1350 | Q | 32.9 | Very low | 30.5 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | -178.7 | 87.9 | 127.7 | -103 | 173.7 | 81 | 0 | 0 | 112.7 | |||||
| 1351 | M | 27.6 | Very low | 30.8 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 97% | 0.97 | 76% | 0.761 | S | S | * | * | trans | -103.1 | 134.8 | 148.5 | -83.6 | -169.5 | 171.4 | 0 | 0 | 108.6 | ||||
| 1352 | K | 33.2 | Very low | 31.1 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -132.7 | 141.4 | 170.7 | -94.8 | -176.4 | 175.3 | 174.6 | 0 | 109.5 | ||||
| 1353 | S | 27.5 | Very low | 31.6 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | trans | -68.5 | 141.1 | -174.9 | 45.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1354 | I | 32.4 | Very low | 31.9 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | -129.4 | 83.3 | 155.9 | -56.6 | -177.1 | 0 | 0 | 0 | 107.8 | K1356 | I1354-K1356 HydrophobicContact CG2-CB 4.33Å; I1354-K1356 HydrophobicContact CG2-CD 3.81Å; I1354-K1356 HydrophobicContact CG2-CG 3.73Å; I1354-K1356 PolarHBondContact O-N 2.85Å | ||
| 1355 | T | 27.4 | Very low | 32.1 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | trans | -76.9 | 103.3 | 161.7 | 35.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1356 | K | 30.6 | Very low | 32.2 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | trans | -121 | 128.3 | 171.7 | -85.2 | -178 | 176.1 | -177.2 | 0 | 109.6 | I1354 S1358 | I1354-K1356 HydrophobicContact CG2-CB 4.33Å; I1354-K1356 HydrophobicContact CG2-CD 3.81Å; I1354-K1356 HydrophobicContact CG2-CG 3.73Å; I1354-K1356 PolarHBondContact O-N 2.85Å; K1356-S1358 PolarHBondContact O-N 2.82Å | ||
| 1357 | K | 26.6 | Very low | 32.3 | Very low | 214 Ų | 214 | 120.9 Ų | 120.9 | 93% | 0.93 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 121.9 | 169.5 | -62 | -175.9 | 176.8 | -170.5 | 0 | 108.8 | ||
| 1358 | S | 29.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 116.5 Ų | 116.5 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -77 | 146 | 163.7 | 37.4 | 0 | 0 | 0 | 0 | 110.2 | K1356 | K1356-S1358 PolarHBondContact O-N 2.82Š|
| 1359 | P | 32.1 | Very low | 32.3 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 61% | 0.61 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 151.4 | 160.3 | 33.2 | -32.7 | 0 | 0 | 0 | 109.6 | ||
| 1360 | I | 31.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 65% | 0.651 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 129.9 | -179.2 | -64.5 | 159.4 | 0 | 0 | 0 | 109.6 | E1362 | I1360-E1362 HydrophobicContact CG2-CB 3.97Å; I1360-E1362 HydrophobicContact CG2-CG 3.94Å |
| 1361 | D | 35.7 | Very low | 32.3 | Very low | 63 Ų | 63 | 108.4 Ų | 108.4 | 34% | 0.337 | 56% | 0.561 | S | S | . | * | trans | -121.9 | 77.2 | 165.6 | -75.8 | -49.5 | 0 | 0 | 0 | 108.2 | H494 K544 N568 | H494-D1361 IonicContact CE1-OD1 2.71Å; K544-D1361 WeakPolarHBondContact CD-OD1 3.24Å; N568-D1361 PolarHBondContact ND2-OD2 3.17Å | ||
| 1362 | E | 37.6 | Very low | 32.5 | Very low | 36 Ų | 36 | 103 Ų | 103 | 17% | 0.168 | 54% | 0.541 | C | S | . | . | trans | -112 | 175.7 | 171.7 | -74.2 | -169.6 | 127.8 | 0 | 0 | 110.2 | Y644 K648 I1360 | Y644-E1362 WeakPolarHBondContact CE2-OE1 3.26Å; K648-E1362 IonicContact NZ-OE1 3.76Å; K648-E1362 PolarHBondContact NZ-OE1 2.68Å; K648-E1362 IonicContact NZ-OE2 3.77Å; K648-E1362 PolarHBondContact NZ-OE2 2.9Å; I1360-E1362 HydrophobicContact CG2-CB 3.97Å; I1360-E1362 HydrophobicContact CG2-CG 3.94Å | ||
| 1363 | Y | 38.6 | Very low | 32.4 | Very low | 84 Ų | 84 | 100.5 Ų | 100.5 | 33% | 0.329 | 54% | 0.535 | S | S | . | . | trans | 69.8 | 58.6 | 175.6 | -50.5 | -74.6 | 0 | 0 | 0 | 118.1 | V1051 | V1051-Y1363 HydrophobicContact CB-CD1 3.99Å; V1051-Y1363 HydrophobicContact CB-CD2 4.28Å; V1051-Y1363 HydrophobicContact CB-CE1 3.74Å; V1051-Y1363 HydrophobicContact CB-CE2 4.05Å; V1051-Y1363 HydrophobicContact CB-CG 4.26Å; V1051-Y1363 HydrophobicContact CG1-CD1 3.73Å; V1051-Y1363 HydrophobicContact CG1-CE1 3.85Å; V1051-Y1363 HydrophobicContact CG1-CG 4.18Å; V1051-Y1363 HydrophobicContact CG2-CD1 4.36Å; V1051-Y1363 HydrophobicContact CG2-CD2 3.88Å; V1051-Y1363 HydrophobicContact CG2-CE1 4.39Å; V1051-Y1363 HydrophobicContact CG2-CE2 3.91Å; V1051-Y1363 HydrophobicContact CG2-CG 4.11Å | ||
| 1364 | V | 39.7 | Very low | 32.5 | Very low | 38 Ų | 38 | 102.5 Ų | 102.5 | 23% | 0.23 | 54% | 0.537 | C | S | . | . | trans | -131.3 | 58.3 | 156.6 | -165.2 | 0 | 0 | 0 | 0 | 111 | I547 R604 | I547-V1364 HydrophobicContact CD1-CG1 3.66Å; I547-V1364 HydrophobicContact CD1-CG2 4.36Å; R604-V1364 PolarHBondContact NH2-O 3.47Å | ||
| 1365 | T | 35.6 | Very low | 32.4 | Very low | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 54% | 0.539 | S | S | . | . | trans | -121.4 | -23.8 | 179.8 | 33.7 | 0 | 0 | 0 | 0 | 113.5 | L669 L1367 | L669-T1365 HydrophobicContact CD2-CG2 3.9Å; T1365-L1367 PolarHBondContact O-N 3.25Å | ||
| 1366 | D | 33.1 | Very low | 32.6 | Very low | 75 Ų | 75 | 104.1 Ų | 104.1 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.1 | -164.1 | -61.6 | -71.5 | 0 | 0 | 0 | 118 | S1053 | S1053-D1366 WeakPolarHBondContact CB-OD1 3.26Å; S1053-D1366 PolarHBondContact OG-OD1 3.12Å; S1053-D1366 PolarHBondContact OG-OD2 3.4Å |
| 1367 | L | 35.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 103.3 Ų | 103.3 | 59% | 0.592 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 7.6 | -175.9 | -74.2 | 175.8 | 0 | 0 | 0 | 114.9 | T1365 | T1365-L1367 PolarHBondContact O-N 3.25Š|
| 1368 | I | 34.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 101.5 Ų | 101.5 | 35% | 0.349 | 54% | 0.537 | S | S | . | . | trans | -130.7 | 60.6 | 177.8 | -44.3 | -177.4 | 0 | 0 | 0 | 111.3 | I1370 | I1368-I1370 HydrophobicContact CG2-CD1 3.87Å; I1368-I1370 HydrophobicContact CG2-CG1 3.92Å; I1368-I1370 PolarHBondContact O-N 3Å; I1368-I1370 VanDerWaalsContact O-N 3.13Å | ||
| 1369 | H | 27.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | trans | -73.6 | 94.4 | 157 | -96.3 | -51.9 | 0 | 0 | 0 | 109 | R1056 | R1056-H1369 PolarHBondContact NE-NE2 2.85Å; R1056-H1369 PolarHBondContact NH2-CE1 2.9Å; R1056-H1369 PolarHBondContact NH2-NE2 2.79Å | ||
| 1370 | I | 34.3 | Very low | 32.4 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | trans | -106.7 | 96.8 | 159.8 | -60.1 | 175.4 | 0 | 0 | 0 | 106.2 | Y609 I1368 | Y609-I1370 HydrophobicContact CD2-CD1 4.22Å; Y609-I1370 HydrophobicContact CE2-CD1 3.71Å; I1368-I1370 HydrophobicContact CG2-CD1 3.87Å; I1368-I1370 HydrophobicContact CG2-CG1 3.92Å; I1368-I1370 PolarHBondContact O-N 3Å; I1368-I1370 VanDerWaalsContact O-N 3.13Å | ||
| 1371 | E | 30 | Very low | 32.3 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 34% | 0.336 | 56% | 0.557 | S | S | . | * | trans | -62 | 130 | 176.5 | -69.5 | 163.3 | -169.7 | 0 | 0 | 109.7 | L1242 | L1242-E1371 VanDerWaalsContact CD1-OE1 3.25Å; L1242-E1371 WeakPolarHBondContact CD1-OE1 3.24Å; L1242-E1371 WeakPolarHBondContact CD2-OE1 3.01Å | ||
| 1372 | P | 31 | Very low | 32.1 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 54% | 0.539 | 58% | 0.58 | S | S | . | * | trans | -67.4 | 142.2 | 177.6 | 27.4 | -33.8 | 0 | 0 | 0 | 110.9 | N1374 | P1372-N1374 PolarHBondContact O-N 3.28Š| ||
| 1373 | I | 30.4 | Very low | 31.9 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 71% | 0.708 | 60% | 0.602 | S | S | * | * | trans | -77.4 | 89.7 | 174.6 | -57.8 | 176.5 | 0 | 0 | 0 | 108.1 | Y1375 | I1373-Y1375 HydrophobicContact CG2-CD2 4.26Å; I1373-Y1375 HydrophobicContact CG2-CE2 3.9Å; I1373-Y1375 WeakPolarHBondContact O-CD2 3.2Å; I1373-Y1375 PolarHBondContact O-N 3.34Å | ||
| 1374 | N | 30.2 | Very low | 31.6 | Very low | 151 Ų | 151 | 120 Ų | 120 | 81% | 0.807 | 62% | 0.623 | S | S | * | * | trans | -66.9 | 100.9 | 173.6 | -96.3 | -16.4 | 0 | 0 | 0 | 110.5 | P1372 | P1372-N1374 PolarHBondContact O-N 3.28Š| ||
| 1375 | Y | 29.9 | Very low | 31.1 | Very low | 190 Ų | 190 | 125 Ų | 125 | 75% | 0.745 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 133.5 | 161.2 | -69.5 | -91.1 | 0 | 0 | 0 | 109 | I1373 N1377 | I1373-Y1375 HydrophobicContact CG2-CD2 4.26Å; I1373-Y1375 HydrophobicContact CG2-CE2 3.9Å; I1373-Y1375 WeakPolarHBondContact O-CD2 3.2Å; I1373-Y1375 PolarHBondContact O-N 3.34Å; Y1375-N1377 PolarHBondContact O-N 3.34Å |
| 1376 | P | 32.4 | Very low | 31 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128 | 178 | 27.7 | -33.3 | 0 | 0 | 0 | 110.9 | M1378 | P1376-M1378 PolarHBondContact O-N 3.31Š|
| 1377 | N | 28.3 | Very low | 30.8 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.1 | 172.8 | -70.2 | -48.7 | 0 | 0 | 0 | 110.6 | Y1375 | Y1375-N1377 PolarHBondContact O-N 3.34Š|
| 1378 | M | 28.2 | Very low | 31 | Very low | 176 Ų | 176 | 130 Ų | 130 | 87% | 0.867 | 69% | 0.693 | S | S | * | * | trans | -127.4 | 135.9 | 163.8 | -100.6 | -158.7 | 173.8 | 0 | 0 | 111.7 | P1376 | P1376-M1378 PolarHBondContact O-N 3.31Š| ||
| 1379 | I | 30.4 | Very low | 31 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | -78.8 | 143.8 | -165.9 | -66.4 | 166.2 | 0 | 0 | 0 | 111.5 | M1381 | I1379-M1381 PolarHBondContact O-N 2.66Š| ||
| 1380 | L | 26.1 | Very low | 31.3 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | trans | -65.1 | 121.4 | 170.1 | -92.1 | 156.8 | 0 | 0 | 0 | 111.3 | ||||
| 1381 | M | 30.1 | Very low | 31.2 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -142.3 | 132.9 | 146.5 | -77.2 | -159.2 | 168.7 | 0 | 0 | 109.8 | I1379 | I1379-M1381 PolarHBondContact O-N 2.66Š| ||
| 1382 | N | 30.4 | Very low | 31.6 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | trans | -98.9 | 165.7 | 167.7 | -145.8 | 10.5 | 0 | 0 | 0 | 107.4 | ||||
| 1383 | P | 34.4 | Very low | 31.5 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | -161.5 | 177.4 | 89.2 | 43.2 | -23.2 | 0 | 0 | 0 | 118.7 | |||||
| 1384 | F | 32.3 | Very low | 31.9 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 72.6 | 98.9 | 151.5 | -67.1 | -53.4 | 0 | 0 | 0 | 123.9 | ||||
| 1385 | N | 28.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | 74.1 | 150.4 | 113.5 | -76.5 | 11.7 | 0 | 0 | 0 | 126.3 | |||||
| 1386 | S | 32.7 | Very low | 32.2 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 83.5 | 78.3 | 148.6 | 33.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1387 | T | 30.5 | Very low | 32 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | 58.6 | 154.6 | 116.4 | 48.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 1388 | P | 39.6 | Very low | 32.3 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -129.5 | 179.1 | -159.2 | 44.2 | -28.6 | 0 | 0 | 0 | 116.9 | ||||
| 1389 | Q | 33.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -159.4 | 130.6 | 154.7 | -116.9 | 170.4 | 9.7 | 0 | 0 | 117.1 | ||||
| 1390 | Q | 33.5 | Very low | 33.2 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | trans | 46 | 113.8 | 140 | -69.8 | 166.6 | -15.1 | 0 | 0 | 124.9 | ||||
| 1391 | Q | 32.2 | Very low | 33.8 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 44.9 | 160.5 | 109.3 | -74.7 | -173.8 | -24.6 | 0 | 0 | 123.1 | |||||
| 1392 | P | 38.3 | Very low | 34.3 | Very low | 98 Ų | 98 | 134 Ų | 134 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -145 | 179.1 | -34 | 40.7 | -22.1 | 0 | 0 | 0 | 116.9 | ||||
| 1393 | T | 29.3 | Very low | 34.3 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 73.2 | 154.7 | 153.8 | 41.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1394 | P | 39.2 | Very low | 34 | Very low | 114 Ų | 114 | 134 Ų | 134 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -126.7 | 158.1 | -165.1 | 41.7 | -26 | 0 | 0 | 0 | 117 | ||||
| 1395 | I | 33.2 | Very low | 33.8 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 91% | 0.913 | 76% | 0.758 | S | S | * | * | trans | -137.8 | 154.2 | 167.7 | -67.1 | -173.3 | 0 | 0 | 0 | 112.6 | ||||
| 1396 | A | 32.4 | Very low | 33.7 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -57 | 157.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1397 | S | 28.7 | Very low | 33.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -20.3 | 156.7 | 154.8 | 60.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1398 | V | 34.4 | Very low | 33.4 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | -152.7 | 161.8 | 117.6 | 142.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1399 | K | 30.5 | Very low | 33 | Very low | 191 Ų | 191 | 131 Ų | 131 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | -82.9 | 159 | -172.6 | -79.2 | 179.4 | 175 | 176.3 | 0 | 115 | ||||
| 1400 | P | 47.8 | Very low | 33 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -77.3 | -175.8 | 163.4 | 39.6 | -39.3 | 0 | 0 | 0 | 110.7 | ||||
| 1401 | P | 37.1 | Very low | 33.2 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | -148.3 | -150.2 | 90.2 | 49.7 | -31 | 0 | 0 | 0 | 111.5 | |||||
| 1402 | P | 41.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | -141.1 | -148.7 | -127.6 | 36.2 | -7.8 | 0 | 0 | 0 | 114.9 | |||||
| 1403 | T | 31 | Very low | 32.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | trans | 88 | 140.7 | 159.6 | 72.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1404 | N | 28.7 | Very low | 32.9 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 63.1 | 146.3 | 142.2 | -65.8 | 0.4 | 0 | 0 | 0 | 118.8 | ||||
| 1405 | T | 27.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | cis | -179.3 | 161.7 | -15.2 | 28.8 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1406 | L | 26.9 | Very low | 32.3 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | 65.9 | 172.6 | 166.5 | -54.9 | 142.8 | 0 | 0 | 0 | 112.1 | ||||
| 1407 | N | 28.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 126 Ų | 126 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | cis | -153.1 | 138.9 | -3 | -140.6 | 7.6 | 0 | 0 | 0 | 113.2 | ||||
| 1408 | T | 28 | Very low | 32.3 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 73% | 0.73 | S | S | * | * | trans | 56.1 | -177.6 | 143 | 52 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1409 | I | 31 | Very low | 32.4 | Very low | 145 Ų | 145 | 127 Ų | 127 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | trans | 70 | 118.4 | 165.1 | -54.5 | 163.5 | 0 | 0 | 0 | 113.6 | ||||
| 1410 | N | 33.4 | Very low | 32.5 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -163.5 | 175.5 | -9.4 | -122.9 | -5.1 | 0 | 0 | 0 | 107.8 | ||||
| 1411 | N | 37.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | cis | -149.3 | 174 | 6.5 | -155.6 | -3.4 | 0 | 0 | 0 | 111.5 | ||||
| 1412 | N | 30.9 | Very low | 30.9 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | trans | -48.2 | 155.9 | 150.8 | -53 | -73.1 | 0 | 0 | 0 | 112.4 | ||||
| 1413 | S | 33.6 | Very low | 30.4 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 72% | 0.719 | S | S | * | * | -163 | 128.5 | 61.8 | 44.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 1414 | T | 28.5 | Very low | 30.2 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | 59.8 | 95.6 | 83.8 | 66.9 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1415 | S | 31 | Very low | 30.2 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 179.9 | 105.4 | 148.8 | 41.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1416 | T | 30.5 | Very low | 30.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | 69.1 | 115.7 | 88.4 | 58.4 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1417 | L | 28.1 | Very low | 30.4 | Very low | 158 Ų | 158 | 126.9 Ų | 126.9 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | -1.7 | 142.2 | 135.7 | -81.6 | 149.4 | 0 | 0 | 0 | 116.7 | ||||
| 1418 | P | 31.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | -149.8 | 171.5 | 74.5 | 42.7 | -26.1 | 0 | 0 | 0 | 117.9 | |||||
| 1419 | H | 36.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | -73.8 | 144.6 | 151 | -85.1 | -77.4 | 0 | 0 | 0 | 110.2 | ||||
| 1420 | P | 33.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | -125.2 | 148.1 | 126.4 | 35.1 | -28.8 | 0 | 0 | 0 | 110.9 | |||||
| 1421 | I | 26.1 | Very low | 30.5 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | cis | 81.2 | 97.9 | 31.1 | -56.7 | 176.4 | 0 | 0 | 0 | 113.3 | ||||
| 1422 | S | 24.9 | Very low | 30.2 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 35.7 | 116.7 | 151.9 | 65.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1423 | S | 30.2 | Very low | 30.4 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | -157.9 | 119.1 | 123.6 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1424 | N | 27 | Very low | 30.5 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | 61.3 | 105.2 | 64.6 | -81.2 | -2 | 0 | 0 | 0 | 115.4 | |||||
| 1425 | Q | 29 | Very low | 31 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | 67.6 | 166.3 | 141.7 | -71.8 | -176.8 | -19.5 | 0 | 0 | 118.7 | ||||
| 1426 | P | 31.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | cis | -122.2 | -173.3 | -6.7 | 37.4 | -21.1 | 0 | 0 | 0 | 114.4 | ||||
| 1427 | T | 26.5 | Very low | 31.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -35.3 | 139.2 | 165.7 | 52.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1428 | G | 28.4 | Very low | 32.4 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | trans | -162.9 | 124.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1429 | I | 30 | Very low | 32.7 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | cis | 64.3 | 109.7 | 48.7 | -55.5 | 177.2 | 0 | 0 | 0 | 108.9 | ||||
| 1430 | N | 30.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | cis | -164.4 | -172.2 | 4.2 | -135.9 | 19.2 | 0 | 0 | 0 | 112.8 | ||||
| 1431 | N | 33 | Very low | 32.9 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 60% | 0.599 | 69% | 0.685 | S | S | * | * | trans | 73.8 | 112.7 | 150.5 | -68 | -1.2 | 0 | 0 | 0 | 116.5 | ||||
| 1432 | N | 33.3 | Very low | 33.4 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 68% | 0.679 | 69% | 0.688 | S | S | * | * | 90.9 | 148.1 | 86.5 | -69.8 | 2 | 0 | 0 | 0 | 110.4 | |||||
| 1433 | N | 33.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | cis | -157.9 | 170.5 | -8 | -107.9 | 21 | 0 | 0 | 0 | 104.6 | ||||
| 1434 | D | 36.6 | Very low | 34.1 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | cis | -166.6 | 156.4 | 7.3 | -125.3 | -30.5 | 0 | 0 | 0 | 107.6 | ||||
| 1435 | N | 38 | Very low | 34.5 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | trans | 57.7 | 156.7 | 144.4 | -63.6 | -40.2 | 0 | 0 | 0 | 119.6 | ||||
| 1436 | N | 40.2 | Very low | 34.6 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | cis | -167.8 | 159 | -15.4 | -104.5 | -21.5 | 0 | 0 | 0 | 106.5 | ||||
| 1437 | N | 39.7 | Very low | 35 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 57% | 0.572 | 70% | 0.702 | S | S | * | * | cis | -160.8 | 164.5 | -2.2 | -134.4 | -30.7 | 0 | 0 | 0 | 110.3 | ||||
| 1438 | N | 39.4 | Very low | 35.6 | Very low | 113 Ų | 113 | 132 Ų | 132 | 60% | 0.604 | 70% | 0.702 | S | S | * | * | trans | 57.5 | 114.5 | 144.7 | -68.3 | -27.6 | 0 | 0 | 0 | 120.5 | ||||
| 1439 | N | 39 | Very low | 36 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | 85.8 | 144.2 | 78.6 | -75.2 | -13 | 0 | 0 | 0 | 114.1 | |||||
| 1440 | N | 38 | Very low | 36.2 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | cis | -162.6 | 159 | -16.3 | -125.5 | -24.7 | 0 | 0 | 0 | 112.1 | ||||
| 1441 | N | 36.4 | Very low | 36.2 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 67.9 | 155.6 | 149.4 | -66.1 | -29.6 | 0 | 0 | 0 | 123.2 | ||||
| 1442 | N | 36.3 | Very low | 36.1 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 77 | 82.3 | 155.3 | -64 | -17.5 | 0 | 0 | 0 | 121.3 | ||||
| 1443 | R | 33.6 | Very low | 35.8 | Very low | 245 Ų | 245 | 149.3 Ų | 149.3 | 93% | 0.925 | 74% | 0.741 | S | S | * | * | 47.8 | 151.9 | 127.5 | -90.7 | -171.5 | 166.5 | -179 | -3.2 | 121.8 | |||||
| 1444 | P | 36.3 | Very low | 35.6 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | trans | -93.4 | 152.2 | -154.9 | 36.5 | -37.4 | 0 | 0 | 0 | 115.7 | ||||
| 1445 | I | 34 | Very low | 35.3 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -169.7 | 133.5 | 138.5 | -102.3 | 152.6 | 0 | 0 | 0 | 111.7 | ||||
| 1446 | R | 32.8 | Very low | 34.8 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | trans | 61.5 | 155.1 | 164.8 | -76.8 | 174.4 | 176.9 | 179.6 | -0.8 | 120 | ||||
| 1447 | P | 39.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -104.2 | 172 | -177.8 | 41 | -35.7 | 0 | 0 | 0 | 113.8 | ||||
| 1448 | P | 38.8 | Very low | 33.6 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -134.6 | 152.6 | 130.8 | 37.3 | -27 | 0 | 0 | 0 | 115.8 | ||||
| 1449 | R | 35.9 | Very low | 33.2 | Very low | 229 Ų | 229 | 153.7 Ų | 153.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 4.2 | 137.3 | 150.8 | -60.1 | 169.1 | 175.6 | 163.4 | -2.5 | 118.3 | ||||
| 1450 | H | 34.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | -147.8 | 127.3 | 99.2 | -107.4 | -86 | 0 | 0 | 0 | 112.6 | |||||
| 1451 | Q | 32.3 | Very low | 32.2 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 35.4 | 84.6 | 158.7 | -66.5 | 169.4 | -4.2 | 0 | 0 | 119.8 | ||||
| 1452 | K | 29.7 | Very low | 31.7 | Very low | 201 Ų | 201 | 156 Ų | 156 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -108 | 120.9 | 144.9 | -81 | 178.1 | 175.9 | 170.6 | 0 | 109 | K1454 | K1452-K1454 PolarHBondContact O-N 3.17Š| ||
| 1453 | L | 27.9 | Very low | 31.4 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 100.6 | 165.9 | -109.5 | 167.7 | 0 | 0 | 0 | 108.7 | I1455 | L1453-I1455 HydrophobicContact CD2-CG1 4.26Š| ||
| 1454 | K | 28.1 | Very low | 31 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -118.4 | 87.8 | 179.5 | -171.5 | -168.1 | 179.4 | -163.5 | 0 | 109 | K1452 T1456 | K1452-K1454 PolarHBondContact O-N 3.17Å; K1454-T1456 VanDerWaalsContact C-N 3.35Å; K1454-T1456 PolarHBondContact O-N 3.49Å | ||
| 1455 | I | 30.3 | Very low | 30.7 | Very low | 154 Ų | 154 | 153.1 Ų | 153.1 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 87.8 | 175 | -56.7 | 179.1 | 0 | 0 | 0 | 108.7 | L1453 | L1453-I1455 HydrophobicContact CD2-CG1 4.26Š| ||
| 1456 | T | 28.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 98.3 | 154.6 | 43.9 | 0 | 0 | 0 | 0 | 107.3 | K1454 | K1454-T1456 VanDerWaalsContact C-N 3.35Å; K1454-T1456 PolarHBondContact O-N 3.49Å | ||
| 1457 | G | 28.9 | Very low | 30.5 | Very low | 58 Ų | 58 | 145 Ų | 145 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | -113.7 | 89.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1459 | G1457-N1459 VanDerWaalsContact C-N 3.34Å; G1457-N1459 PolarHBondContact O-N 2.99Å | ||
| 1458 | D | 26.8 | Very low | 30.3 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | trans | -72.2 | 88.6 | 167.3 | -73.4 | -58.7 | 0 | 0 | 0 | 109.5 | T1460 | D1458-T1460 VanDerWaalsContact C-N 3.31Å; D1458-T1460 PolarHBondContact O-N 3.39Å | ||
| 1459 | N | 29.7 | Very low | 30.1 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | trans | -88.5 | 70.6 | 171.3 | -95.1 | -2.9 | 0 | 0 | 0 | 110.9 | G1457 Y1461 | G1457-N1459 VanDerWaalsContact C-N 3.34Å; G1457-N1459 PolarHBondContact O-N 2.99Å; N1459-Y1461 VanDerWaalsContact C-N 3.3Å; N1459-Y1461 PolarHBondContact O-N 3.32Å | ||
| 1460 | T | 27.2 | Very low | 30.1 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | trans | -69.8 | 86.1 | 160.3 | 48.2 | 0 | 0 | 0 | 0 | 110 | D1458 S1462 | D1458-T1460 VanDerWaalsContact C-N 3.31Å; D1458-T1460 PolarHBondContact O-N 3.39Å; T1460-S1462 PolarHBondContact O-N 2.98Å | ||
| 1461 | Y | 29.5 | Very low | 30.2 | Very low | 207 Ų | 207 | 136.2 Ų | 136.2 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -81.2 | 72.6 | 164.6 | -99.1 | -79.3 | 0 | 0 | 0 | 111.1 | N1459 | N1459-Y1461 VanDerWaalsContact C-N 3.3Å; N1459-Y1461 PolarHBondContact O-N 3.32Å | ||
| 1462 | S | 24.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -110.1 | 100.7 | 157.8 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | T1460 | T1460-S1462 PolarHBondContact O-N 2.98Š| ||
| 1463 | I | 30 | Very low | 30.6 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | trans | -129.6 | 142 | 152.4 | -66.2 | -171.9 | 0 | 0 | 0 | 107.5 | ||||
| 1464 | Q | 26.5 | Very low | 30.9 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | trans | -130.9 | 167.9 | -173.3 | -160.7 | 172.5 | -1.2 | 0 | 0 | 107.5 | ||||
| 1465 | T | 30.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | 63.3 | 116.7 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1466 | F | 29.8 | Very low | 31.5 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 82% | 0.816 | 67% | 0.67 | S | S | * | * | 49.2 | 134.9 | 82.7 | -75.7 | -75.9 | 0 | 0 | 0 | 113.2 | |||||
| 1467 | S | 33 | Very low | 32 | Very low | 38 Ų | 38 | 128.5 Ų | 128.5 | 27% | 0.266 | 67% | 0.673 | S | S | . | * | cis | -166.6 | -173.3 | 27 | 14 | 0 | 0 | 0 | 0 | 113.9 | S958 I959 | S958-S1467 VanDerWaalsContact CA-OG 3.26Å; S958-S1467 WeakPolarHBondContact CA-OG 3.4Å; S958-S1467 VanDerWaalsContact CB-OG 3.26Å; S958-S1467 WeakPolarHBondContact CB-OG 3.4Å; I959-S1467 WeakPolarHBondContact O-CB 3.3Å | ||
| 1468 | D | 34.7 | Very low | 32.4 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 42% | 0.422 | 68% | 0.681 | S | S | . | * | trans | -90.6 | 179.1 | -149.2 | -41.2 | -11.9 | 0 | 0 | 0 | 119 | I959 | I959-D1468 HydrophobicContact CB-CB 4.35Å; I959-D1468 VanDerWaalsContact CB-O 3.27Å; I959-D1468 WeakPolarHBondContact CB-O 3.46Å; I959-D1468 WeakPolarHBondContact CG1-O 3.26Å; I959-D1468 PolarHBondContact N-O 3.32Å; I959-D1468 VanDerWaalsContact O-CB 3.26Å; I959-D1468 WeakPolarHBondContact O-CB 2.91Å; I959-D1468 PolarHBondContact O-N 2.98Å | ||
| 1469 | N | 35.1 | Very low | 32.6 | Very low | 82 Ų | 82 | 133 Ų | 133 | 44% | 0.439 | 68% | 0.683 | S | S | . | * | trans | 68.5 | 146.5 | 140.5 | -72.5 | -42.4 | 0 | 0 | 0 | 119.6 | I959 | I959-N1469 HydrophobicContact CB-CB 4.21Å; I959-N1469 HydrophobicContact CD1-CB 3.99Å; I959-N1469 HydrophobicContact CG2-CB 4.35Å | ||
| 1470 | K | 35.8 | Very low | 33.4 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 72% | 0.717 | 68% | 0.675 | S | S | * | * | cis | -161.3 | 163.4 | 6.9 | -130.3 | 173.3 | -171.1 | 172.9 | 0 | 112.9 | ||||
| 1471 | N | 35.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 66% | 0.663 | 68% | 0.675 | S | S | * | * | trans | 66.6 | 155.2 | 159.4 | -74.6 | 38.1 | 0 | 0 | 0 | 117.5 | ||||
| 1472 | D | 35.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | cis | -146.1 | 149.4 | 5.4 | -129.8 | -40.4 | 0 | 0 | 0 | 115.9 | ||||
| 1473 | N | 35.1 | Very low | 34.8 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | trans | 21.9 | 131.5 | 155.6 | -90.1 | -80.8 | 0 | 0 | 0 | 125.4 | ||||
| 1474 | K | 34.7 | Very low | 35.1 | Very low | 183 Ų | 183 | 131.1 Ų | 131.1 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | trans | 72.5 | 155 | 140 | -65.6 | 162.2 | -176 | 163.3 | 0 | 120 | ||||
| 1475 | S | 32.1 | Very low | 35.5 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | cis | -173.8 | 159.9 | -29 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1476 | K | 37.7 | Very low | 35.8 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | trans | 81 | 110.9 | 155.9 | -68.2 | -179 | 179.6 | -179.7 | 0 | 121.2 | ||||
| 1477 | N | 38.2 | Very low | 35.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | 100 | 135.4 | 113 | -73.9 | 20.9 | 0 | 0 | 0 | 123.6 | |||||
| 1478 | N | 37.1 | Very low | 35.9 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | trans | 88.4 | 78.2 | 143.1 | -63.6 | 6.7 | 0 | 0 | 0 | 122.2 | ||||
| 1479 | N | 32.5 | Very low | 35.9 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | -40.3 | 176.2 | 128.8 | -129.8 | 0.9 | 0 | 0 | 0 | 113.8 | |||||
| 1480 | P | 45.7 | Very low | 35.9 | Very low | 89 Ų | 89 | 146 Ų | 146 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | cis | -151.5 | -166.9 | 14.6 | 43.9 | -21.3 | 0 | 0 | 0 | 119.2 | ||||
| 1481 | T | 38.4 | Very low | 35.7 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | trans | 74.6 | 153.4 | 151.7 | 51.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1482 | R | 36.1 | Very low | 35.3 | Very low | 193 Ų | 193 | 146.7 Ų | 146.7 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | cis | -163.4 | 150 | 5.5 | -132.7 | 173.3 | -179.4 | 175.8 | 1.7 | 112.9 | ||||
| 1483 | R | 36.4 | Very low | 35 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | trans | 59.3 | 167.6 | 150.5 | -83.6 | 176.2 | 177.1 | 173.3 | -3.4 | 117.6 | ||||
| 1484 | S | 35.6 | Very low | 34.7 | Very low | 92 Ų | 92 | 150.6 Ų | 150.6 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | cis | -173 | 157.9 | -15.3 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1485 | E | 35.7 | Very low | 34.5 | Very low | 149 Ų | 149 | 152.9 Ų | 152.9 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | cis | -172.9 | 165.3 | -25.7 | -98.4 | 125.2 | -132.2 | 0 | 0 | 109.2 | ||||
| 1486 | L | 35.9 | Very low | 34.3 | Very low | 160 Ų | 160 | 160.1 Ų | 160.1 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 70 | 106.9 | 166.9 | -92.7 | 78.7 | 0 | 0 | 0 | 124.8 | ||||
| 1487 | N | 31.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | 38.4 | 130.4 | 128.1 | -75.1 | -13.5 | 0 | 0 | 0 | 125.5 | |||||
| 1488 | K | 34.2 | Very low | 33.8 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | trans | -164.7 | 132.1 | 141.2 | -112.1 | 163.5 | -173.2 | 170.8 | 0 | 115.4 | ||||
| 1489 | N | 34.4 | Very low | 33.6 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 59.6 | 117.3 | 147.9 | -69.5 | -23.4 | 0 | 0 | 0 | 125.3 | ||||
| 1490 | K | 35 | Very low | 33.6 | Very low | 187 Ų | 187 | 160.6 Ų | 160.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | 72.2 | 117.8 | 127 | -67.9 | -178 | 176.7 | 177.4 | 0 | 123.5 | |||||
| 1491 | K | 31.4 | Very low | 33.1 | Very low | 195 Ų | 195 | 165.4 Ų | 165.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | 82.2 | 147.9 | 139.9 | -77 | -165.9 | 173 | -169.6 | 0 | 121.6 | ||||
| 1492 | S | 27.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 167 Ų | 167 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | 71.6 | 132.8 | 165.1 | 38.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1493 | D | 29.2 | Very low | 33.3 | Very low | 141 Ų | 141 | 163.7 Ų | 163.7 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 68.3 | 143.9 | 153.8 | -65.7 | 4.7 | 0 | 0 | 0 | 122.4 | ||||
| 1494 | K | 29.9 | Very low | 33.5 | Very low | 173 Ų | 173 | 162.2 Ų | 162.2 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | 77.3 | 144 | 163.2 | -65.6 | 154.6 | -172.5 | 164.8 | 0 | 118.6 | ||||
| 1495 | Y | 29.6 | Very low | 34.3 | Very low | 230 Ų | 230 | 163 Ų | 163 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 9.6 | 117.6 | 153.5 | -68.7 | -93.3 | 0 | 0 | 0 | 117.7 | ||||
| 1496 | W | 28.1 | Very low | 35.3 | Very low | 245 Ų | 245 | 161.4 Ų | 161.4 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -119.4 | 154.7 | 159.2 | -88.1 | 68.8 | 0 | 0 | 0 | 111.2 | ||||
| 1497 | P | 34.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 159.2 Ų | 159.2 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | -120.9 | -170.7 | -152.6 | 38 | -20.9 | 0 | 0 | 0 | 113.9 | D1499 | P1497-D1499 PolarHBondContact O-N 2.85Š| ||
| 1498 | L | 30.6 | Very low | 37.4 | Very low | 148 Ų | 148 | 157.3 Ų | 157.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -29.2 | 119.7 | 167.3 | -69.8 | 148.8 | 0 | 0 | 0 | 115.1 | ||||
| 1499 | D | 33 | Very low | 38.5 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -84 | 137.1 | 149.7 | -84 | -49.6 | 0 | 0 | 0 | 109.7 | P1497 | P1497-D1499 PolarHBondContact O-N 2.85Š| ||
| 1500 | Y | 33.5 | Very low | 39.5 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -94.3 | 115 | 175.5 | -86.4 | -110.4 | 0 | 0 | 0 | 109.7 | ||||
| 1501 | E | 35.3 | Very low | 40.3 | Very low | 190 Ų | 190 | 149.2 Ų | 149.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 138.2 | 154.4 | -70.4 | -161.6 | 133.1 | 0 | 0 | 109.7 | ||||
| 1502 | L | 37.4 | Very low | 41.1 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 149.4 | -172.5 | -70.9 | 97.1 | 0 | 0 | 0 | 112 | L1504 | L1502-L1504 PolarHBondContact O-N 3.23Å; L1502-L1504 VanDerWaalsContact O-N 3.07Å | ||
| 1503 | P | 41.3 | Very low | 41.7 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -64.6 | 112.5 | 170 | 28 | -33.7 | 0 | 0 | 0 | 109.7 | ||||
| 1504 | L | 40 | Very low | 41.9 | Very low | 160 Ų | 160 | 147.7 Ų | 147.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.8 | 165.3 | -73.6 | 170.4 | 0 | 0 | 0 | 109 | L1502 | L1502-L1504 PolarHBondContact O-N 3.23Å; L1502-L1504 VanDerWaalsContact O-N 3.07Å |
| 1505 | P | 51.3 | Low | 42.1 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 146.1 | 179.4 | 27 | -34.5 | 0 | 0 | 0 | 110.4 | ||
| 1506 | P | 57.4 | Low | 42.4 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.5 | 179.9 | 26 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 1507 | P | 54 | Low | 42.6 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 143.1 | 174.9 | 26.3 | -34 | 0 | 0 | 0 | 109.9 | ||
| 1508 | P | 57.9 | Low | 42.6 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61 | 143.2 | 178.6 | 26 | -34.2 | 0 | 0 | 0 | 110.3 | ||
| 1509 | P | 58.3 | Low | 42.6 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.7 | -179.2 | 26 | -34.4 | 0 | 0 | 0 | 110.7 | ||
| 1510 | P | 53.5 | Low | 42.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61 | 141 | 176.2 | 26.5 | -34.1 | 0 | 0 | 0 | 110.1 | ||
| 1511 | P | 51.9 | Low | 42.7 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.5 | -179.8 | 25.9 | -34.2 | 0 | 0 | 0 | 111 | ||
| 1512 | P | 49 | Very low | 42.3 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 151.6 | -179.2 | 26.9 | -35 | 0 | 0 | 0 | 111.6 | F1514 | P1512-F1514 PolarHBondContact O-N 3.04Š|
| 1513 | P | 40.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.1 | -176.6 | 26.6 | -34.7 | 0 | 0 | 0 | 111.5 | I1515 | P1513-I1515 PolarHBondContact O-N 2.99Š|
| 1514 | F | 34.1 | Very low | 41.4 | Very low | 191 Ų | 191 | 142.4 Ų | 142.4 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | -68.4 | 93.7 | 177 | -89.7 | -87.5 | 0 | 0 | 0 | 111.7 | P1512 L1516 | P1512-F1514 PolarHBondContact O-N 3.04Å; F1514-L1516 PolarHBondContact O-N 3.09Å | ||
| 1515 | I | 33.5 | Very low | 41 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -79.4 | 100.8 | 165.2 | -58.7 | 175.2 | 0 | 0 | 0 | 108.1 | P1513 | P1513-I1515 PolarHBondContact O-N 2.99Š| ||
| 1516 | L | 36.3 | Very low | 39.9 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -107.1 | 78.4 | 169.6 | -84.7 | 169.8 | 0 | 0 | 0 | 110.9 | F1514 | F1514-L1516 PolarHBondContact O-N 3.09Š| ||
| 1517 | N | 30.8 | Very low | 38.7 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 125.3 | 158.6 | -87.1 | -33.9 | 0 | 0 | 0 | 109.3 | ||||
| 1518 | N | 36.1 | Very low | 37.6 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -154.8 | 156.4 | 148.4 | -116.3 | -41.5 | 0 | 0 | 0 | 113.4 | ||||
| 1519 | K | 30.1 | Very low | 36.3 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -100.4 | 169.3 | -159.6 | -94.7 | -178.3 | 177.4 | 179.5 | 0 | 114.4 | ||||
| 1520 | P | 35.9 | Very low | 34.9 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -96 | 160.8 | -152.6 | 37 | -38.2 | 0 | 0 | 0 | 116.8 | ||||
| 1521 | K | 32 | Very low | 33.9 | Very low | 200 Ų | 200 | 148 Ų | 148 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | trans | -139.5 | 130.4 | 151.9 | -67.4 | -179.3 | 178.4 | 175.8 | 0 | 106.6 | ||||
| 1522 | L | 27 | Very low | 32.8 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | 64.6 | 93.7 | 46.1 | -88.8 | 170.7 | 0 | 0 | 0 | 115.4 | ||||
| 1523 | I | 33.2 | Very low | 31.9 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -176.7 | 120.3 | 146 | -89.4 | 144.7 | 0 | 0 | 0 | 104.2 | ||||
| 1524 | K | 26.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | cis | 84.9 | 78.6 | 46.6 | -78.8 | -161.2 | 171.8 | -174.5 | 0 | 116.4 | ||||
| 1525 | S | 31.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 146.7 Ų | 146.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -170.9 | 128.6 | 132.6 | 46.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1526 | N | 29.2 | Very low | 31 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | cis | 78.6 | 111 | 38.2 | -80.8 | 22.7 | 0 | 0 | 0 | 116.1 | ||||
| 1527 | G | 32.7 | Very low | 30.7 | Very low | 74 Ų | 74 | 145.1 Ų | 145.1 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 128.7 | 142 | 162 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1528 | N | 29.3 | Very low | 30.5 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | cis | -167.3 | 167.8 | -15.2 | -148.4 | -17 | 0 | 0 | 0 | 110.9 | ||||
| 1529 | K | 32 | Very low | 30.1 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | trans | 75.7 | 122.6 | 167.9 | -60.6 | -165.4 | 176.4 | -175.5 | 0 | 116.5 | ||||
| 1530 | I | 28.9 | Very low | 30 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | 79.4 | 136.7 | 67.5 | -71.4 | 167.7 | 0 | 0 | 0 | 110.6 | |||||
| 1531 | L | 31.1 | Very low | 29.6 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -109.7 | 162.7 | 18.2 | -59.4 | 79.8 | 0 | 0 | 0 | 112.2 | ||||
| 1532 | L | 30 | Very low | 29.3 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | cis | 57.9 | 131.5 | 47.5 | -70.5 | 164 | 0 | 0 | 0 | 110.8 | ||||
| 1533 | S | 29.2 | Very low | 29.3 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | -175.8 | -176.1 | 34.6 | 55.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1534 | N | 29.9 | Very low | 29 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | cis | -165 | 172.1 | 2.9 | -134.7 | 20.8 | 0 | 0 | 0 | 109.5 | ||||
| 1535 | I | 31.7 | Very low | 29.1 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 67% | 0.667 | 70% | 0.702 | S | S | * | * | trans | 66.5 | 136.4 | 147.1 | -71.2 | 163.4 | 0 | 0 | 0 | 118.1 | ||||
| 1536 | E | 28.1 | Very low | 29.1 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | cis | -173.6 | 173.5 | -24.9 | -127.7 | 151 | -137.4 | 0 | 0 | 109.3 | ||||
| 1537 | S | 29.7 | Very low | 29.1 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | trans | 57.2 | 162.4 | 156 | 61.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1538 | N | 26.8 | Very low | 29.1 | Very low | 129 Ų | 129 | 121.4 Ų | 121.4 | 69% | 0.69 | 65% | 0.649 | S | S | * | * | -162 | 171.4 | -56.4 | -122.7 | 25.1 | 0 | 0 | 0 | 110.3 | |||||
| 1539 | E | 28.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 120 Ų | 120 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | 72.8 | 151.9 | 150.7 | -77.1 | 143.3 | -131.8 | 0 | 0 | 121.6 | ||||
| 1540 | D | 28 | Very low | 29 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | trans | 57.7 | 115 | 175.5 | -62.6 | -27.9 | 0 | 0 | 0 | 120.9 | ||||
| 1541 | N | 26.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 115.3 Ų | 115.3 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | 74.8 | 131 | 57.4 | -65.9 | -42.4 | 0 | 0 | 0 | 112 | |||||
| 1542 | T | 27 | Very low | 28.7 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | cis | -152.5 | 133.8 | 5.5 | 15.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1543 | E | 25.1 | Very low | 28.5 | Very low | 156 Ų | 156 | 113.4 Ų | 113.4 | 73% | 0.729 | 64% | 0.642 | S | S | * | * | 86.6 | 166.7 | 90.6 | -153.1 | -172.3 | -134.6 | 0 | 0 | 115.3 | L1163 | L1163-E1543 WeakPolarHBondContact CD2-O 3.43Š| |||
| 1544 | V | 28 | Very low | 28.6 | Very low | 51 Ų | 51 | 116.6 Ų | 116.6 | 31% | 0.309 | 65% | 0.645 | S | S | . | * | trans | 85.4 | 68.9 | 159.7 | -172.8 | 0 | 0 | 0 | 0 | 119.8 | R1165 | R1165-V1544 HydrophobicContact CG-CG1 3.61Š| ||
| 1545 | N | 27.8 | Very low | 28.5 | Very low | 85 Ų | 85 | 114.9 Ų | 114.9 | 46% | 0.455 | 64% | 0.643 | S | S | . | * | trans | -78.2 | 179.5 | -176.5 | 46.4 | 34 | 0 | 0 | 0 | 122.1 | R1165 | R1165-N1545 VanDerWaalsContact CD-O 3.23Å; R1165-N1545 WeakPolarHBondContact CD-O 3.38Å; R1165-N1545 PolarHBondContact NE-O 2.67Å; R1165-N1545 PolarHBondContact NH2-OD1 3.4Å | ||
| 1546 | N | 30.9 | Very low | 28.3 | Very low | 76 Ų | 76 | 114.2 Ų | 114.2 | 41% | 0.406 | 65% | 0.65 | S | S | . | * | trans | 82.5 | -177.7 | 165.2 | -59.3 | -15.9 | 0 | 0 | 0 | 118.4 | L1164 R1165 H1166 | L1164-N1546 WeakPolarHBondContact CB-O 3.27Å; R1165-N1546 VanDerWaalsContact C-C 3.41Å; R1165-N1546 CarbonylContact C-O 3.19Å; R1165-N1546 WeakPolarHBondContact CA-O 3.26Å; R1165-N1546 PolarHBondContact N-O 3.39Å; H1166-N1546 HydrophobicContact CB-CB 3.74Å; H1166-N1546 PolarHBondContact N-O 2.85Å | ||
| 1547 | N | 30.7 | Very low | 28.3 | Very low | 121 Ų | 121 | 111.9 Ų | 111.9 | 65% | 0.647 | 65% | 0.65 | S | S | * | * | -155.2 | -111.3 | -53.7 | 177.1 | 36.4 | 0 | 0 | 0 | 114.1 | H1166 | H1166-N1547 HydrophobicContact CB-CB 4.24Å; H1166-N1547 PolarHBondContact CE1-ND2 2.95Å; H1166-N1547 PolarHBondContact NE2-ND2 3.07Å; H1166-N1547 VanDerWaalsContact NE2-ND2 3.12Å | |||
| 1548 | A | 32.1 | Very low | 28.7 | Very low | 42 Ų | 42 | 112.6 Ų | 112.6 | 35% | 0.347 | 65% | 0.652 | S | S | . | * | trans | -95 | 171.4 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117 | H1166 | H1166-A1548 PolarHBondContact CE1-N 3.31Å; H1166-A1548 PolarHBondContact ND1-N 2.93Å; H1166-A1548 PolarHBondContact ND1-O 2.93Å | ||
| 1549 | N | 30.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | cis | -170 | 164.4 | 40.4 | -150.5 | -10.5 | 0 | 0 | 0 | 114.8 | ||||
| 1550 | S | 27.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | 56 | 159.1 | 163.5 | 53.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1551 | S | 27.3 | Very low | 29.2 | Very low | 98 Ų | 98 | 111.8 Ų | 111.8 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | cis | 164.3 | 141.2 | -41.2 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1552 | S | 26.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | 67.2 | 161.1 | 170.3 | 87.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1553 | L | 27.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 75% | 0.754 | 67% | 0.671 | S | S | * | * | cis | -161.8 | 179.6 | -18.6 | -119.9 | 171.3 | 0 | 0 | 0 | 108.1 | ||||
| 1554 | H | 30 | Very low | 29.3 | Very low | 166 Ų | 166 | 111.2 Ų | 111.2 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | 69.5 | 157.1 | 173.3 | -64.8 | -77.9 | 0 | 0 | 0 | 117.5 | ||||
| 1555 | S | 27.6 | Very low | 29.4 | Very low | 85 Ų | 85 | 117 Ų | 117 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | cis | 176.1 | 147.8 | -49.4 | 48.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1556 | S | 27.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | 61 | 152 | 177.7 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1557 | S | 27.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | cis | -158.2 | 160.1 | -7 | 27.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1558 | P | 38.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 121 Ų | 121 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -78.7 | 162.9 | -175.1 | 35.6 | -38.6 | 0 | 0 | 0 | 113 | ||||
| 1559 | P | 38.2 | Very low | 29.4 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | -148.5 | 158.2 | 97.4 | 39.4 | -23.4 | 0 | 0 | 0 | 117.3 | |||||
| 1560 | F | 29 | Very low | 29.2 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | 42.4 | 142 | 144.2 | -83 | -93 | 0 | 0 | 0 | 125.7 | ||||
| 1561 | S | 27.6 | Very low | 29.2 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | trans | 75.9 | 115.9 | 141 | 56.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1562 | T | 27.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 49.6 | 109.7 | 137.9 | 58 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1563 | L | 27.4 | Very low | 29.3 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | -163.6 | 149.7 | 94.6 | -106.3 | 162.4 | 0 | 0 | 0 | 112.6 | |||||
| 1564 | T | 25.9 | Very low | 29.6 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 56% | 0.564 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 142.8 | 176.9 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1565 | L | 29.6 | Very low | 29.4 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -156.9 | 119.8 | 147.9 | -111.8 | 166.2 | 0 | 0 | 0 | 111.7 | ||||
| 1566 | Q | 27.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -82.1 | 160.9 | 160.3 | -67.2 | -178.9 | -22.6 | 0 | 0 | 109.5 | ||||
| 1567 | P | 34.5 | Very low | 29.8 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -116.8 | 105.2 | 139.2 | 32.9 | -26.7 | 0 | 0 | 0 | 110.8 | ||||
| 1568 | S | 25.8 | Very low | 29.9 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | trans | -80.2 | 130.2 | 156.2 | 62 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1569 | L | 32.8 | Very low | 29.7 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -107.5 | 125.4 | 168.3 | -86.6 | 169.4 | 0 | 0 | 0 | 109.9 | ||||
| 1570 | K | 27.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -94.4 | 147.8 | -171.2 | -63.9 | 177.5 | 178.6 | 172.9 | 0 | 111.9 | ||||
| 1571 | S | 28 | Very low | 29.1 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | trans | 44.3 | 122.1 | 142.1 | 62.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1572 | K | 27.9 | Very low | 29.2 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 92% | 0.922 | 80% | 0.8 | S | S | * | * | -114.6 | 96.9 | 129.6 | -96.3 | -173.9 | 175 | 177.9 | 0 | 109.9 | |||||
| 1573 | T | 28.5 | Very low | 29.3 | Very low | 118 Ų | 118 | 154 Ų | 154 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 117 | 172.1 | -9.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1574 | I | 31.9 | Very low | 29.3 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -91.3 | 110.9 | 170.1 | -63.3 | 178.9 | 0 | 0 | 0 | 108.1 | L1576 | I1574-L1576 PolarHBondContact O-N 3.42Š| ||
| 1575 | N | 27.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | trans | -76.6 | 118.7 | 171.5 | -82.1 | -43.7 | 0 | 0 | 0 | 110.1 | ||||
| 1576 | L | 33.2 | Very low | 29.8 | Very low | 162 Ų | 162 | 155 Ų | 155 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -119.5 | 130.6 | 160.6 | -81.7 | 168.8 | 0 | 0 | 0 | 109.4 | I1574 | I1574-L1576 PolarHBondContact O-N 3.42Š| ||
| 1577 | K | 29.7 | Very low | 29.9 | Very low | 202 Ų | 202 | 153 Ų | 153 | 88% | 0.878 | 81% | 0.808 | S | S | * | * | trans | -78.6 | 153.7 | -175.7 | -80 | 179.8 | 175.9 | 176.4 | 0 | 111.6 | ||||
| 1578 | P | 30.5 | Very low | 29.8 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -79.6 | 154 | -174 | 32.7 | -36.8 | 0 | 0 | 0 | 113.4 | ||||
| 1579 | L | 32.9 | Very low | 30.2 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -123.8 | 160.1 | 163.6 | -85.7 | 167.9 | 0 | 0 | 0 | 110.9 | ||||
| 1580 | R | 26.6 | Very low | 30.1 | Very low | 233 Ų | 233 | 150.3 Ų | 150.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -107.2 | 165.4 | -158.7 | -72 | 171.8 | 160.2 | 176 | -7.4 | 113.9 | ||||
| 1581 | S | 28.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | 71.3 | 155.5 | 163.5 | 82.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1582 | A | 29.2 | Very low | 30.5 | Very low | 92 Ų | 92 | 154.8 Ų | 154.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | cis | -148.9 | 176 | -3.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1583 | R | 30.2 | Very low | 30.7 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | cis | -154.1 | 166.5 | -1.8 | -153.6 | -178.4 | -174.5 | 167.4 | 1.4 | 108.1 | ||||
| 1584 | F | 26.7 | Very low | 31 | Very low | 163 Ų | 163 | 153 Ų | 153 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | -94.5 | 167.1 | 163.2 | -99.6 | -89.6 | 0 | 0 | 0 | 111.2 | Q1586 | F1584-Q1586 HydrophobicContact CD1-CG 4.17Š| ||
| 1585 | P | 37 | Very low | 31.1 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | -120.3 | 105.4 | 125.5 | 34 | -30.1 | 0 | 0 | 0 | 112.8 | |||||
| 1586 | Q | 29.4 | Very low | 31.4 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | trans | -97.5 | 159.3 | 134.2 | -61.9 | 172.4 | -17.6 | 0 | 0 | 104.7 | F1584 | F1584-Q1586 HydrophobicContact CD1-CG 4.17Š| ||
| 1587 | S | 30.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | cis | -144.1 | -162.6 | 17.3 | 58.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1588 | A | 32.9 | Very low | 31.5 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -166 | 153.1 | 37 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1589 | A | 33.1 | Very low | 31.5 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -177.8 | 124.7 | 134.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1590 | T | 30 | Very low | 31.3 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -154.9 | 140.3 | 173.1 | 17.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1591 | M | 29.6 | Very low | 31.4 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | trans | 63.1 | 111.1 | 164.8 | -58.8 | 176.6 | 71.3 | 0 | 0 | 117.7 | ||||
| 1592 | M | 34.7 | Very low | 31.4 | Very low | 191 Ų | 191 | 147 Ų | 147 | 94% | 0.941 | 78% | 0.78 | S | S | * | * | -137.3 | 156.7 | 106.7 | -79.1 | -151 | 169.6 | 0 | 0 | 110.2 | |||||
| 1593 | K | 33.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -85.9 | 174.7 | 161.3 | -50.3 | 163.8 | 96.6 | -137.2 | 0 | 106.4 | ||||
| 1594 | E | 33.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 144.6 Ų | 144.6 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | cis | -157.4 | 163.7 | 16.4 | -153.5 | 110.5 | -129.7 | 0 | 0 | 107.5 | ||||
| 1595 | D | 34.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 46.1 | 113.7 | 155.1 | -69 | 7.6 | 0 | 0 | 0 | 124 | ||||
| 1596 | N | 32.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | 77.2 | 144.3 | 126.6 | -66.5 | -41.1 | 0 | 0 | 0 | 124 | |||||
| 1597 | H | 35.5 | Very low | 31.7 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 60 | 83.2 | 157.7 | -68.1 | -61.1 | 0 | 0 | 0 | 122.1 | ||||
| 1598 | S | 30.1 | Very low | 31.8 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | 68.2 | 135 | 119.8 | 67.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1599 | K | 30.8 | Very low | 32 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 76.2 | 108.6 | 152.1 | -75.3 | -177.4 | 175.4 | -179.2 | 0 | 120.4 | ||||
| 1600 | L | 27.7 | Very low | 32.1 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 81.3 | 133 | 125.8 | -72.7 | 164.6 | 0 | 0 | 0 | 121.8 | |||||
| 1601 | N | 30.2 | Very low | 32.4 | Very low | 147 Ų | 147 | 150.3 Ų | 150.3 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 92.1 | 144.1 | 149 | -66.3 | -5.6 | 0 | 0 | 0 | 120.8 | ||||
| 1602 | F | 26.9 | Very low | 32.7 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -91.1 | 149.9 | -178.2 | -75.9 | -116.8 | 0 | 0 | 0 | 111.1 | ||||
| 1603 | T | 32.1 | Very low | 32.6 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | trans | -150.9 | 150.6 | 131.7 | 17.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1604 | T | 29.4 | Very low | 32.7 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -118.5 | 142.5 | 177.3 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1605 | E | 31.9 | Very low | 32.6 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -145.3 | 154.4 | 164.6 | -127.4 | 168.2 | -144.1 | 0 | 0 | 111.1 | ||||
| 1606 | Q | 32.3 | Very low | 32.6 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -111.4 | 162.1 | -173.4 | -61.8 | 173.2 | -41.5 | 0 | 0 | 110.9 | ||||
| 1607 | N | 33.9 | Very low | 32.7 | Very low | 167 Ų | 167 | 146 Ų | 146 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | -170.7 | 166.5 | 129.1 | -103.3 | -56.1 | 0 | 0 | 0 | 112.9 | |||||
| 1608 | S | 33.6 | Very low | 32.6 | Very low | 89 Ų | 89 | 144.9 Ų | 144.9 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | -118.8 | 169.3 | -166.4 | 54.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1609 | N | 35.2 | Very low | 32.9 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 167.2 | 130.8 | 120.3 | -81.5 | -18 | 0 | 0 | 0 | 117 | |||||
| 1610 | N | 36.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | trans | 64.9 | 114.1 | 130.3 | -64.8 | -7.9 | 0 | 0 | 0 | 125.6 | ||||
| 1611 | N | 36.1 | Very low | 33.6 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | 101.3 | 133.5 | 110.6 | -71.3 | -4.8 | 0 | 0 | 0 | 125.5 | |||||
| 1612 | N | 35.5 | Very low | 33.9 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | 87.9 | 106.5 | 138 | -69.6 | -9.4 | 0 | 0 | 0 | 124.5 | ||||
| 1613 | N | 32.9 | Very low | 34.3 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | 48.9 | 126.5 | 122.1 | -59.2 | -13.7 | 0 | 0 | 0 | 122.9 | |||||
| 1614 | N | 34.4 | Very low | 34.5 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | -170.3 | 172.2 | 107.7 | -99 | -36.4 | 0 | 0 | 0 | 114.2 | |||||
| 1615 | T | 32.2 | Very low | 34.6 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -117.6 | 168.7 | -166 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1616 | V | 34.7 | Very low | 34.5 | Very low | 138 Ų | 138 | 141 Ų | 141 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -174.2 | 159.8 | 142.6 | 137.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1617 | N | 34.4 | Very low | 34.5 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -106.2 | 159.6 | -166.5 | -56.2 | -69.2 | 0 | 0 | 0 | 115.2 | ||||
| 1618 | N | 34.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | -175.7 | 126 | 105.7 | -105.8 | -48.9 | 0 | 0 | 0 | 118.2 | |||||
| 1619 | T | 36.4 | Very low | 34.4 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 17.9 | 163 | 132.7 | 69.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1620 | N | 37.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 54% | 0.54 | 75% | 0.75 | S | S | . | * | cis | -159.9 | 178.5 | 22.4 | -147.9 | -10.8 | 0 | 0 | 0 | 116.2 | ||||
| 1621 | Y | 35.9 | Very low | 34.7 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | 69.8 | 98.9 | 173.6 | -60.5 | -71.5 | 0 | 0 | 0 | 117.2 | ||||
| 1622 | K | 35.3 | Very low | 34.5 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | 74.5 | 142.8 | 15.8 | -124.1 | -169.8 | -178.4 | -179.4 | 0 | 114 | ||||
| 1623 | L | 36.4 | Very low | 34.8 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | cis | -120.3 | -152.6 | 0.5 | -60.5 | 133.9 | 0 | 0 | 0 | 109 | ||||
| 1624 | I | 35.4 | Very low | 34.7 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -159.3 | 138.9 | -5.7 | -145.7 | 151.8 | 0 | 0 | 0 | 105.1 | ||||
| 1625 | E | 31.3 | Very low | 34.7 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | 65.9 | 148.6 | 59 | -59.9 | -146.9 | 151.8 | 0 | 0 | 116.3 | |||||
| 1626 | K | 29.7 | Very low | 34.8 | Very low | 169 Ų | 169 | 151.3 Ų | 151.3 | 74% | 0.735 | 78% | 0.777 | S | S | * | * | cis | -167.1 | 150.9 | -15.7 | -112.8 | 178.8 | -173.7 | 140.2 | 0 | 108.2 | ||||
| 1627 | A | 33.2 | Very low | 34.8 | Very low | 102 Ų | 102 | 152 Ų | 152 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -174.4 | 158.6 | 153 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1628 | L | 30.2 | Very low | 34.9 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -139.9 | 170.9 | -173.2 | -74.5 | 154.6 | 0 | 0 | 0 | 112.6 | ||||
| 1629 | K | 35.5 | Very low | 34.9 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 86.4 | 110.4 | 161 | -56.6 | -178.9 | 179.7 | 179.2 | 0 | 119.4 | ||||
| 1630 | K | 34.8 | Very low | 34.8 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | 30.5 | 155.9 | 117 | -71.3 | -172.4 | 177.3 | -175.3 | 0 | 120.4 | |||||
| 1631 | P | 42 | Very low | 34.6 | Very low | 102 Ų | 102 | 159.8 Ų | 159.8 | 66% | 0.662 | 80% | 0.8 | S | S | * | * | cis | -145.5 | -161.4 | -30.4 | 41.6 | -21.7 | 0 | 0 | 0 | 114.4 | ||||
| 1632 | T | 32.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | 77.2 | 151.5 | 156.4 | 42.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 1633 | P | 42.1 | Very low | 34.4 | Very low | 105 Ų | 105 | 156 Ų | 156 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -121.3 | 172.6 | -161 | 43.4 | -30.4 | 0 | 0 | 0 | 115.5 | ||||
| 1634 | N | 31 | Very low | 34.3 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | 172.8 | 105.5 | 133.2 | -94 | -19.7 | 0 | 0 | 0 | 113 | ||||
| 1635 | K | 34.1 | Very low | 34.2 | Very low | 283 Ų | 283 | 159.1 Ų | 159.1 | 100% | 1.23 | 82% | 0.822 | S | S | * | * | -177.9 | 0 | 112.5 | -106 | -170.2 | 174.5 | -172.8 | 0 | 112.4 |
Retrieved 1,635 of 1,635 residues in 276 ms
(Link to these results)