| 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 | 51.3 | Low | 62.3 | Low | 171 Ų | 171 | 145 Ų | 145 | 84% | 0.842 | 66% | 0.66 | S | S | * | * | 0 | -85.1 | 0 | -155.7 | 154.4 | 62.8 | 0 | 0 | 115.1 | E4 K5 | M1-E4 PolarHBondContact N-OE2 2.71Å; M1-E4 WeakPolarHBondContact O-CA 3.38Å; M1-E4 WeakPolarHBondContact O-CB 3.26Å; M1-E4 PolarHBondContact O-N 3.49Å; M1-K5 PolarHBondContact O-N 2.9Å | |||
| 2 | E | 62.5 | Low | 62.1 | Low | 154 Ų | 154 | 141.4 Ų | 141.4 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.3 | -44.6 | -170 | -164 | -179.5 | -161.5 | 0 | 0 | 114.3 | E4 K5 R6 | E2-E4 PolarHBondContact O-N 2.74Å; E2-E4 VanDerWaalsContact O-N 3.16Å; E2-K5 PolarHBondContact O-N 2.69Å; E2-R6 PolarHBondContact O-N 3.17Å |
| 3 | R | 57.9 | Low | 61.8 | Low | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.849 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.8 | -24.6 | 169.7 | -77 | -175.9 | 172.8 | -176.7 | -2.5 | 113.5 | R7 | R3-R7 WeakPolarHBondContact O-CG 3.48Å; R3-R7 PolarHBondContact O-N 3.1Å; R3-R7 VanDerWaalsContact O-N 3.12Å |
| 4 | E | 63.2 | Low | 61.1 | Low | 119 Ų | 119 | 134.6 Ų | 134.6 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -85.6 | -44.2 | -175.1 | -161.8 | 167.7 | -159 | 0 | 0 | 110.4 | M1 E2 R6 R7 Q8 | M1-E4 PolarHBondContact N-OE2 2.71Å; M1-E4 WeakPolarHBondContact O-CA 3.38Å; M1-E4 WeakPolarHBondContact O-CB 3.26Å; M1-E4 PolarHBondContact O-N 3.49Å; E2-E4 PolarHBondContact O-N 2.74Å; E2-E4 VanDerWaalsContact O-N 3.16Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 3.16Å; E4-R7 PolarHBondContact O-N 3.44Å; E4-R7 VanDerWaalsContact O-N 3.13Å; E4-Q8 WeakPolarHBondContact O-CG 3.38Å; E4-Q8 PolarHBondContact O-N 3.48Å |
| 5 | K | 63.1 | Low | 60.5 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -55.7 | -42.8 | 165.2 | -72.9 | -171 | 175.1 | -171.7 | 0 | 111.7 | M1 E2 Q8 M9 | M1-K5 PolarHBondContact O-N 2.9Å; E2-K5 PolarHBondContact O-N 2.69Å; K5-Q8 PolarHBondContact O-N 2.93Å; K5-M9 WeakPolarHBondContact O-CB 3.38Å; K5-M9 PolarHBondContact O-N 2.82Å |
| 6 | R | 65.2 | Low | 59.9 | Low | 181 Ų | 181 | 131.7 Ų | 131.7 | 68% | 0.683 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.8 | -43.1 | 173.6 | -79.7 | -168.7 | 179.4 | -166.6 | 0.9 | 112.6 | E2 E4 M9 V10 | E2-R6 PolarHBondContact O-N 3.17Å; E4-R6 VanDerWaalsContact C-N 3.3Å; E4-R6 PolarHBondContact O-N 3.16Å; R6-M9 PolarHBondContact O-N 3.15Å; R6-V10 WeakPolarHBondContact O-CB 3.38Å; R6-V10 VanDerWaalsContact O-CG2 3.32Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3.13Å |
| 7 | R | 67.7 | Low | 59.1 | Low | 202 Ų | 202 | 129.6 Ų | 129.6 | 76% | 0.762 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.6 | -42.3 | 174.9 | -80 | 178.7 | 172.4 | -175.2 | -3.5 | 112.1 | R3 E4 V10 A11 | R3-R7 WeakPolarHBondContact O-CG 3.48Å; R3-R7 PolarHBondContact O-N 3.1Å; R3-R7 VanDerWaalsContact O-N 3.12Å; E4-R7 PolarHBondContact O-N 3.44Å; E4-R7 VanDerWaalsContact O-N 3.13Å; R7-V10 PolarHBondContact O-N 2.98Å; R7-A11 VanDerWaalsContact O-CB 3.31Å; R7-A11 WeakPolarHBondContact O-CB 3.33Å; R7-A11 PolarHBondContact O-N 3.45Å |
| 8 | Q | 63.5 | Low | 58.5 | Low | 118 Ų | 118 | 126.5 Ų | 126.5 | 55% | 0.551 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.2 | -47 | 175.1 | -73.2 | 173.2 | -23.7 | 0 | 0 | 111.6 | E4 K5 V10 A11 I12 | E4-Q8 WeakPolarHBondContact O-CG 3.38Å; E4-Q8 PolarHBondContact O-N 3.48Å; K5-Q8 PolarHBondContact O-N 2.93Å; Q8-V10 PolarHBondContact O-N 2.75Å; Q8-A11 PolarHBondContact O-N 2.92Å; Q8-I12 WeakPolarHBondContact O-CB 3.42Å; Q8-I12 WeakPolarHBondContact O-CD1 3.24Å; Q8-I12 VanDerWaalsContact O-CG1 3.24Å; Q8-I12 WeakPolarHBondContact O-CG1 3.39Å; Q8-I12 PolarHBondContact O-N 3.18Å |
| 9 | M | 62 | Low | 57.8 | Low | 145 Ų | 145 | 121.8 Ų | 121.8 | 71% | 0.714 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.6 | -43.8 | 175.4 | -91.9 | -169.8 | 135.9 | 0 | 0 | 112.8 | K5 R6 I12 L13 | K5-M9 WeakPolarHBondContact O-CB 3.38Å; K5-M9 PolarHBondContact O-N 2.82Å; R6-M9 PolarHBondContact O-N 3.15Å; M9-I12 PolarHBondContact O-N 2.94Å; M9-L13 VanDerWaalsContact O-CB 3.24Å; M9-L13 WeakPolarHBondContact O-CB 3.37Å; M9-L13 PolarHBondContact O-N 3.36Å |
| 10 | V | 67.3 | Low | 57.1 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.7 | -40.5 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | R6 R7 Q8 T14 | R6-V10 WeakPolarHBondContact O-CB 3.38Å; R6-V10 VanDerWaalsContact O-CG2 3.32Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3.13Å; R7-V10 PolarHBondContact O-N 2.98Å; Q8-V10 PolarHBondContact O-N 2.75Å; V10-T14 VanDerWaalsContact O-CB 3.29Å; V10-T14 WeakPolarHBondContact O-CB 3.5Å; V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.39Å |
| 11 | A | 61.7 | Low | 56.9 | Low | 54 Ų | 54 | 118.1 Ų | 118.1 | 45% | 0.446 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.6 | -47.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R7 Q8 T14 V15 | R7-A11 VanDerWaalsContact O-CB 3.31Å; R7-A11 WeakPolarHBondContact O-CB 3.33Å; R7-A11 PolarHBondContact O-N 3.45Å; Q8-A11 PolarHBondContact O-N 2.92Å; A11-T14 PolarHBondContact O-N 2.84Å; A11-V15 WeakPolarHBondContact O-CB 3.46Å; A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.41Å; A11-V15 PolarHBondContact O-N 3.04Å |
| 12 | I | 60.4 | Low | 57.2 | Low | 102 Ų | 102 | 115.8 Ų | 115.8 | 52% | 0.523 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -48.1 | 176.1 | -68.6 | 163 | 0 | 0 | 0 | 110.4 | Q8 M9 T14 V15 L16 | Q8-I12 WeakPolarHBondContact O-CB 3.42Å; Q8-I12 WeakPolarHBondContact O-CD1 3.24Å; Q8-I12 VanDerWaalsContact O-CG1 3.24Å; Q8-I12 WeakPolarHBondContact O-CG1 3.39Å; Q8-I12 PolarHBondContact O-N 3.18Å; M9-I12 PolarHBondContact O-N 2.94Å; I12-T14 VanDerWaalsContact C-N 3.31Å; I12-T14 PolarHBondContact O-N 3.47Å; I12-V15 PolarHBondContact O-N 2.67Å; I12-L16 HydrophobicContact CG2-CD1 3.84Å; I12-L16 HydrophobicContact CG2-CG 4.34Å; I12-L16 WeakPolarHBondContact O-CB 3.34Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.07Å |
| 13 | L | 57.6 | Low | 57.1 | Low | 112 Ų | 112 | 111 Ų | 111 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.8 | -39.8 | 178.7 | -168.2 | 75.3 | 0 | 0 | 0 | 111.5 | M9 L16 V17 | M9-L13 VanDerWaalsContact O-CB 3.24Å; M9-L13 WeakPolarHBondContact O-CB 3.37Å; M9-L13 PolarHBondContact O-N 3.36Å; L13-L16 PolarHBondContact O-N 3.16Å; L13-V17 HydrophobicContact CG-CG2 4.49Å; L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.31Å |
| 14 | T | 52.6 | Low | 57.3 | Low | 75 Ų | 75 | 105 Ų | 105 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V10 A11 I12 L16 V17 V18 | V10-T14 VanDerWaalsContact O-CB 3.29Å; V10-T14 WeakPolarHBondContact O-CB 3.5Å; V10-T14 PolarHBondContact O-N 3.48Å; V10-T14 PolarHBondContact O-OG1 3.39Å; A11-T14 PolarHBondContact O-N 2.84Å; I12-T14 VanDerWaalsContact C-N 3.31Å; I12-T14 PolarHBondContact O-N 3.47Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 2.85Å; T14-V17 PolarHBondContact O-N 3.26Å; T14-V18 HydrophobicContact CG2-CG2 4.19Å; T14-V18 VanDerWaalsContact O-CB 3.26Å; T14-V18 WeakPolarHBondContact O-CB 3.45Å; T14-V18 WeakPolarHBondContact O-CG2 3.32Å; T14-V18 PolarHBondContact O-N 3.07Å |
| 15 | V | 52.1 | Low | 57.6 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 65% | 0.648 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 174.3 | 169 | 0 | 0 | 0 | 0 | 111.3 | A11 I12 G19 | A11-V15 WeakPolarHBondContact O-CB 3.46Å; A11-V15 VanDerWaalsContact O-CG2 3.32Å; A11-V15 WeakPolarHBondContact O-CG2 3.41Å; A11-V15 PolarHBondContact O-N 3.04Å; I12-V15 PolarHBondContact O-N 2.67Å; V15-G19 WeakPolarHBondContact O-CA 3.5Å; V15-G19 PolarHBondContact O-N 3.47Å |
| 16 | L | 49.8 | Very low | 57.9 | Low | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 176.8 | -71.7 | 171.6 | 0 | 0 | 0 | 112.5 | I12 L13 T14 G20 | I12-L16 HydrophobicContact CG2-CD1 3.84Å; I12-L16 HydrophobicContact CG2-CG 4.34Å; I12-L16 WeakPolarHBondContact O-CB 3.34Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 3.16Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 2.85Å; L16-G20 PolarHBondContact O-N 2.86Å |
| 17 | V | 46.9 | Very low | 58.2 | Low | 97 Ų | 97 | 96 Ų | 96 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.1 | -44.4 | 179.1 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L13 T14 F21 | L13-V17 HydrophobicContact CG-CG2 4.49Å; L13-V17 WeakPolarHBondContact O-CB 3.42Å; L13-V17 VanDerWaalsContact O-CG2 3.23Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3.31Å; T14-V17 PolarHBondContact O-N 3.26Å; V17-F21 PolarHBondContact O-N 3.45Å |
| 18 | V | 48.5 | Very low | 58.5 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | T14 G20 F21 F22 | T14-V18 HydrophobicContact CG2-CG2 4.19Å; T14-V18 VanDerWaalsContact O-CB 3.26Å; T14-V18 WeakPolarHBondContact O-CB 3.45Å; T14-V18 WeakPolarHBondContact O-CG2 3.32Å; T14-V18 PolarHBondContact O-N 3.07Å; V18-G20 PolarHBondContact O-N 2.97Å; V18-F21 PolarHBondContact O-N 3.17Å; V18-F22 HydrophobicContact CG1-CD2 3.78Å; V18-F22 HydrophobicContact CG1-CE2 3.9Å; V18-F22 WeakPolarHBondContact O-CD2 3.23Å; V18-F22 PolarHBondContact O-N 3.22Å |
| 19 | G | 45.1 | Very low | 59.4 | Low | 37 Ų | 37 | 87.8 Ų | 87.8 | 38% | 0.381 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V15 F22 A23 | V15-G19 WeakPolarHBondContact O-CA 3.5Å; V15-G19 PolarHBondContact O-N 3.47Å; G19-F22 PolarHBondContact O-N 3.06Å; G19-A23 WeakPolarHBondContact O-CB 3.46Å; G19-A23 PolarHBondContact O-N 3.46Å |
| 20 | G | 43.8 | Very low | 60.3 | Low | 31 Ų | 31 | 80.9 Ų | 80.9 | 32% | 0.32 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L16 V18 A23 I24 | L16-G20 PolarHBondContact O-N 2.86Å; V18-G20 PolarHBondContact O-N 2.97Å; G20-A23 PolarHBondContact O-N 3.4Å; G20-I24 VanDerWaalsContact O-CG1 3.27Å; G20-I24 WeakPolarHBondContact O-CG1 3.27Å; G20-I24 PolarHBondContact O-N 2.87Å |
| 21 | F | 53.3 | Low | 60.6 | Low | 136 Ų | 136 | 78.9 Ų | 78.9 | 60% | 0.596 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 175.1 | -174.2 | -93 | 0 | 0 | 0 | 112.2 | V17 V18 R25 | V17-F21 PolarHBondContact O-N 3.45Å; V18-F21 PolarHBondContact O-N 3.17Å; F21-R25 WeakPolarHBondContact O-CB 3.47Å; F21-R25 PolarHBondContact O-N 3.04Å |
| 22 | F | 57.4 | Low | 61.6 | Low | 121 Ų | 121 | 78.8 Ų | 78.8 | 53% | 0.531 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 173.6 | -92.2 | -84.9 | 0 | 0 | 0 | 111.8 | V18 G19 R25 I26 | V18-F22 HydrophobicContact CG1-CD2 3.78Å; V18-F22 HydrophobicContact CG1-CE2 3.9Å; V18-F22 WeakPolarHBondContact O-CD2 3.23Å; V18-F22 PolarHBondContact O-N 3.22Å; G19-F22 PolarHBondContact O-N 3.06Å; F22-R25 PolarHBondContact O-N 3.41Å; F22-I26 VanDerWaalsContact O-CG1 3.27Å; F22-I26 WeakPolarHBondContact O-CG1 3.2Å; F22-I26 PolarHBondContact O-N 3.37Å |
| 23 | A | 59.6 | Low | 63 | Low | 54 Ų | 54 | 73.9 Ų | 73.9 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G19 G20 R25 I26 Y27 | G19-A23 WeakPolarHBondContact O-CB 3.46Å; G19-A23 PolarHBondContact O-N 3.46Å; G20-A23 PolarHBondContact O-N 3.4Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 2.65Å; A23-I26 PolarHBondContact O-N 3.23Å; A23-Y27 VanDerWaalsContact O-CB 3.23Å; A23-Y27 WeakPolarHBondContact O-CB 3.45Å; A23-Y27 PolarHBondContact O-N 2.98Å |
| 24 | I | 63.3 | Low | 64.1 | Low | 99 Ų | 99 | 69.8 Ų | 69.8 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 175.5 | -68.3 | 164.4 | 0 | 0 | 0 | 111.1 | G20 K28 | G20-I24 VanDerWaalsContact O-CG1 3.27Å; G20-I24 WeakPolarHBondContact O-CG1 3.27Å; G20-I24 PolarHBondContact O-N 2.87Å; I24-K28 HydrophobicContact CG2-CD 4.46Å; I24-K28 WeakPolarHBondContact O-CB 3.42Å; I24-K28 WeakPolarHBondContact O-CG 3.35Å; I24-K28 PolarHBondContact O-N 2.98Å |
| 25 | R | 68.3 | Low | 65.4 | Low | 134 Ų | 134 | 69 Ų | 69 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 179.7 | -171.2 | 178.5 | -172.5 | 179.5 | 4.6 | 112.5 | F21 F22 A23 K28 N29 | F21-R25 WeakPolarHBondContact O-CB 3.47Å; F21-R25 PolarHBondContact O-N 3.04Å; F22-R25 PolarHBondContact O-N 3.41Å; A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 2.65Å; R25-K28 PolarHBondContact O-N 3.2Å; R25-N29 PolarHBondContact O-N 3.15Å; R25-N29 VanDerWaalsContact O-N 3.08Å; R25-N29 PolarHBondContact O-ND2 3.2Å; R25-N29 PolarHBondContact O-OD1 3.4Å |
| 26 | I | 69.2 | Low | 67.1 | Low | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.9 | -54 | 174.9 | -67.2 | 164.4 | 0 | 0 | 0 | 108.5 | F22 A23 K28 N29 T30 F196 F200 | F22-I26 VanDerWaalsContact O-CG1 3.27Å; F22-I26 WeakPolarHBondContact O-CG1 3.2Å; F22-I26 PolarHBondContact O-N 3.37Å; A23-I26 PolarHBondContact O-N 3.23Å; I26-K28 VanDerWaalsContact C-N 3.35Å; I26-K28 PolarHBondContact O-N 2.96Å; I26-N29 PolarHBondContact O-N 3.01Å; I26-N29 VanDerWaalsContact O-N 3.12Å; I26-T30 WeakPolarHBondContact O-CB 3.45Å; I26-T30 PolarHBondContact O-N 2.94Å; I26-T30 PolarHBondContact O-OG1 3.38Å; I26-F196 HydrophobicContact CD1-CE2 4.48Å; I26-F196 HydrophobicContact CD1-CZ 4.23Å; I26-F196 HydrophobicContact CG2-CB 4.13Å; I26-F196 HydrophobicContact CG2-CD1 4.07Å; I26-F196 HydrophobicContact CG2-CD2 4.04Å; I26-F196 HydrophobicContact CG2-CE2 4.49Å; I26-F196 HydrophobicContact CG2-CG 3.83Å; I26-F200 HydrophobicContact CG2-CE2 3.85Å |
| 27 | Y | 71.5 | Confident | 68.9 | Low | 77 Ų | 77 | 61.8 Ų | 61.8 | 30% | 0.302 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -50.4 | -48.7 | 176.5 | 169.8 | -102.6 | 0 | 0 | 0 | 113.2 | A23 T30 N31 F200 R202 | A23-Y27 VanDerWaalsContact O-CB 3.23Å; A23-Y27 WeakPolarHBondContact O-CB 3.45Å; A23-Y27 PolarHBondContact O-N 2.98Å; Y27-T30 PolarHBondContact O-N 3.48Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.42Å; Y27-N31 WeakPolarHBondContact O-CB 3.27Å; Y27-N31 PolarHBondContact O-N 3.08Å; Y27-N31 PolarHBondContact OH-ND2 3.29Å; Y27-N31 VanDerWaalsContact OH-ND2 3.08Å; Y27-F200 AromaticContact CD2-CD1 3.95Å; Y27-F200 HydrophobicContact CD2-CD1 3.95Å; Y27-F200 HydrophobicContact CD2-CE1 4.07Å; Y27-R202 PolarHBondContact OH-NH2 3.05Å; Y27-R202 VanDerWaalsContact OH-NH2 3.07Å |
| 28 | K | 74.4 | Confident | 70.3 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 177.4 | -79.8 | -174.2 | 177.4 | -170 | 0 | 112.5 | I24 R25 I26 T32 | I24-K28 HydrophobicContact CG2-CD 4.46Å; I24-K28 WeakPolarHBondContact O-CB 3.42Å; I24-K28 WeakPolarHBondContact O-CG 3.35Å; I24-K28 PolarHBondContact O-N 2.98Å; R25-K28 PolarHBondContact O-N 3.2Å; I26-K28 VanDerWaalsContact C-N 3.35Å; I26-K28 PolarHBondContact O-N 2.96Å; K28-T32 PolarHBondContact O-N 3.45Å; K28-T32 VanDerWaalsContact O-N 3.14Å; K28-T32 PolarHBondContact O-OG1 3.49Å |
| 29 | N | 82.3 | Confident | 71.9 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 179.6 | -63.1 | -17.6 | 0 | 0 | 0 | 111.4 | R25 I26 T32 V33 Y61 K65 | R25-N29 PolarHBondContact O-N 3.15Å; R25-N29 VanDerWaalsContact O-N 3.08Å; R25-N29 PolarHBondContact O-ND2 3.2Å; R25-N29 PolarHBondContact O-OD1 3.4Å; I26-N29 PolarHBondContact O-N 3.01Å; I26-N29 VanDerWaalsContact O-N 3.12Å; N29-T32 WeakPolarHBondContact O-CB 3.32Å; N29-T32 PolarHBondContact O-N 3.22Å; N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.39Å; N29-Y61 HydrophobicContact CB-CD2 4.21Å; N29-Y61 HydrophobicContact CB-CE2 3.36Å; N29-Y61 PolarHBondContact ND2-OH 3.05Å; N29-K65 HydrophobicContact CB-CB 4.15Å |
| 30 | T | 80.4 | Confident | 74 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.1 | -38.5 | -178.5 | -56 | 0 | 0 | 0 | 0 | 111.4 | I26 Y27 T32 V33 N34 Y61 I197 F200 | I26-T30 WeakPolarHBondContact O-CB 3.45Å; I26-T30 PolarHBondContact O-N 2.94Å; I26-T30 PolarHBondContact O-OG1 3.38Å; Y27-T30 PolarHBondContact O-N 3.48Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.95Å; T30-V33 PolarHBondContact O-N 3Å; T30-N34 WeakPolarHBondContact O-CB 3.41Å; T30-N34 PolarHBondContact O-N 3.27Å; T30-Y61 WeakPolarHBondContact OG1-CE2 3.46Å; T30-I197 HydrophobicContact CG2-CB 4.35Å; T30-I197 HydrophobicContact CG2-CG1 3.93Å; T30-F200 HydrophobicContact CG2-CB 3.7Å; T30-F200 HydrophobicContact CG2-CD2 4.01Å; T30-F200 HydrophobicContact CG2-CG 4.32Å |
| 31 | N | 74.8 | Confident | 76 | Confident | 48 Ų | 48 | 62 Ų | 62 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 169.9 | -79.9 | 5.1 | 0 | 0 | 0 | 111.9 | Y27 V33 N34 G35 | Y27-N31 WeakPolarHBondContact CE2-ND2 3.42Å; Y27-N31 WeakPolarHBondContact O-CB 3.27Å; Y27-N31 PolarHBondContact O-N 3.08Å; Y27-N31 PolarHBondContact OH-ND2 3.29Å; Y27-N31 VanDerWaalsContact OH-ND2 3.08Å; N31-V33 PolarHBondContact O-N 3.43Å; N31-N34 PolarHBondContact O-N 2.99Å; N31-G35 PolarHBondContact O-N 3.48Å; N31-G35 VanDerWaalsContact O-N 3.12Å |
| 32 | T | 83.2 | Confident | 77.3 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 32% | 0.319 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.8 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | K28 N29 T30 G35 Y36 G66 | K28-T32 PolarHBondContact O-N 3.45Å; K28-T32 VanDerWaalsContact O-N 3.14Å; K28-T32 PolarHBondContact O-OG1 3.49Å; N29-T32 WeakPolarHBondContact O-CB 3.32Å; N29-T32 PolarHBondContact O-N 3.22Å; T30-T32 VanDerWaalsContact C-N 3.34Å; T30-T32 PolarHBondContact O-N 2.95Å; T32-G35 PolarHBondContact O-N 3.14Å; T32-Y36 HydrophobicContact CG2-CE2 4.44Å; T32-Y36 WeakPolarHBondContact O-CD2 3.47Å; T32-Y36 WeakPolarHBondContact O-CE2 3.43Å; T32-G66 VanDerWaalsContact CG2-O 3.29Å; T32-G66 WeakPolarHBondContact CG2-O 3.27Å |
| 33 | V | 89 | Confident | 78.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.4 | -43.7 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 111.9 | N29 T30 N31 G35 Y36 L57 M60 Y61 I197 | N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.39Å; T30-V33 PolarHBondContact O-N 3Å; N31-V33 PolarHBondContact O-N 3.43Å; V33-G35 PolarHBondContact O-N 2.99Å; V33-G35 VanDerWaalsContact O-N 3.17Å; V33-Y36 PolarHBondContact O-N 2.98Å; V33-Y36 VanDerWaalsContact O-N 3.1Å; V33-L57 HydrophobicContact CG1-CB 3.9Å; V33-L57 HydrophobicContact CG1-CD2 3.85Å; V33-L57 HydrophobicContact CG1-CG 4.46Å; V33-L57 WeakPolarHBondContact CG1-O 3.49Å; V33-M60 HydrophobicContact CG1-CB 4.35Å; V33-M60 HydrophobicContact CG1-SD 4.18Å; V33-M60 HydrophobicContact CG2-CG 4.48Å; V33-M60 HydrophobicContact CG2-SD 4.41Å; V33-Y61 HydrophobicContact CB-CD2 4.49Å; V33-Y61 HydrophobicContact CG2-CD2 3.96Å; V33-Y61 HydrophobicContact CG2-CG 4.41Å; V33-I197 HydrophobicContact CG1-CD1 4.11Å; V33-I197 HydrophobicContact CG1-CG1 4.38Å |
| 34 | N | 81.2 | Confident | 80.3 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -21.9 | 176.1 | -91.4 | -32.1 | 0 | 0 | 0 | 112.8 | T30 N31 Y36 R37 I197 F200 | T30-N34 WeakPolarHBondContact O-CB 3.41Å; T30-N34 PolarHBondContact O-N 3.27Å; N31-N34 PolarHBondContact O-N 2.99Å; N34-Y36 PolarHBondContact O-N 2.84Å; N34-R37 WeakPolarHBondContact O-CB 3.27Å; N34-R37 PolarHBondContact O-N 3.02Å; N34-R37 PolarHBondContact OD1-NE 3.32Å; N34-R37 PolarHBondContact OD1-NH2 3.07Å; N34-I197 PolarHBondContact ND2-O 3.21Å; N34-F200 PolarHBondContact ND2-O 3.1Å |
| 35 | G | 80 | Confident | 81.3 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N31 T32 V33 | N31-G35 PolarHBondContact O-N 3.48Å; N31-G35 VanDerWaalsContact O-N 3.12Å; T32-G35 PolarHBondContact O-N 3.14Å; V33-G35 PolarHBondContact O-N 2.99Å; V33-G35 VanDerWaalsContact O-N 3.17Å |
| 36 | Y | 88 | Confident | 82.4 | Confident | 40 Ų | 40 | 52.4 Ų | 52.4 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 7 | 178.7 | -52.5 | -78.7 | 0 | 0 | 0 | 113.4 | T32 V33 N34 N38 D39 V40 M60 G66 L71 Q88 I92 | T32-Y36 HydrophobicContact CG2-CE2 4.44Å; T32-Y36 WeakPolarHBondContact O-CD2 3.47Å; T32-Y36 WeakPolarHBondContact O-CE2 3.43Å; V33-Y36 PolarHBondContact O-N 2.98Å; V33-Y36 VanDerWaalsContact O-N 3.1Å; N34-Y36 PolarHBondContact O-N 2.84Å; Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 3.42Å; Y36-D39 PolarHBondContact O-N 3.27Å; Y36-V40 WeakPolarHBondContact O-CG2 3.48Å; Y36-V40 PolarHBondContact O-N 2.88Å; Y36-M60 HydrophobicContact CD2-CE 4.26Å; Y36-M60 HydrophobicContact CD2-SD 3.57Å; Y36-M60 VanDerWaalsContact CD2-SD 3.57Å; Y36-M60 HydrophobicContact CE2-SD 4.24Å; Y36-M60 HydrophobicContact CG-CE 4.25Å; Y36-M60 HydrophobicContact CG-SD 4.16Å; Y36-G66 PolarHBondContact OH-O 3.47Å; Y36-L71 HydrophobicContact CD1-CD1 4.06Å; Y36-L71 HydrophobicContact CD2-CD1 4.24Å; Y36-L71 HydrophobicContact CE1-CD1 3.72Å; Y36-L71 HydrophobicContact CE2-CD1 3.92Å; Y36-L71 HydrophobicContact CE2-CD2 4.49Å; Y36-L71 HydrophobicContact CG-CD1 4.3Å; Y36-Q88 PolarHBondContact OH-NE2 3.19Å; Y36-I92 HydrophobicContact CD1-CD1 3.99Å; Y36-I92 HydrophobicContact CG-CD1 4.28Å |
| 37 | R | 86.4 | Confident | 83.5 | Confident | 30 Ų | 30 | 51.7 Ų | 51.7 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.8 | -44.3 | -174 | 171.7 | 173 | -66.3 | -79.5 | -6.6 | 112.9 | N34 V40 Q41 D54 L57 | N34-R37 WeakPolarHBondContact O-CB 3.27Å; N34-R37 PolarHBondContact O-N 3.02Å; N34-R37 PolarHBondContact OD1-NE 3.32Å; N34-R37 PolarHBondContact OD1-NH2 3.07Å; R37-V40 PolarHBondContact O-N 3.25Å; R37-Q41 WeakPolarHBondContact O-CB 3.23Å; R37-Q41 PolarHBondContact O-N 2.88Å; R37-D54 IonicContact CZ-OD1 3.63Å; R37-D54 IonicContact NH1-OD1 2.76Å; R37-D54 PolarHBondContact NH1-OD1 3.14Å; R37-D54 IonicContact NH1-OD2 3.92Å; R37-D54 IonicContact NH2-OD1 3.42Å; R37-D54 PolarHBondContact NH2-OD1 3.12Å; R37-L57 HydrophobicContact CB-CD1 4.08Å; R37-L57 HydrophobicContact CG-CD1 4.21Å; R37-L57 VanDerWaalsContact CZ-CD1 3.49Å; R37-L57 VanDerWaalsContact NH2-CD1 3.34Å |
| 38 | N | 77 | Confident | 84.4 | Confident | 116 Ų | 116 | 50.8 Ų | 50.8 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.7 | -43.6 | -176.3 | -67.4 | -7.5 | 0 | 0 | 0 | 111.3 | Y36 V40 Q41 V42 | Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 3.42Å; N38-V40 VanDerWaalsContact C-N 3.35Å; N38-V40 PolarHBondContact O-N 2.94Å; N38-Q41 PolarHBondContact O-N 3.47Å; N38-V42 WeakPolarHBondContact O-CG2 3.26Å; N38-V42 PolarHBondContact O-N 2.97Å |
| 39 | D | 82.4 | Confident | 85.3 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 177.9 | -51 | -41.2 | 0 | 0 | 0 | 110.7 | Y36 L43 I92 | Y36-D39 PolarHBondContact O-N 3.27Å; D39-L43 WeakPolarHBondContact O-CD1 3.36Å; D39-L43 WeakPolarHBondContact O-CG 3.49Å; D39-L43 PolarHBondContact O-N 3.36Å; D39-I92 HydrophobicContact CB-CD1 4.41Å |
| 40 | V | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.5 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | Y36 R37 N38 L43 A44 T53 I56 L57 M60 I92 V96 | Y36-V40 WeakPolarHBondContact O-CG2 3.48Å; Y36-V40 PolarHBondContact O-N 2.88Å; R37-V40 PolarHBondContact O-N 3.25Å; N38-V40 VanDerWaalsContact C-N 3.35Å; N38-V40 PolarHBondContact O-N 2.94Å; V40-L43 PolarHBondContact O-N 3.28Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.94Å; V40-T53 HydrophobicContact CG1-CG2 4.03Å; V40-I56 HydrophobicContact CG1-CB 3.81Å; V40-I56 HydrophobicContact CG1-CD1 4.42Å; V40-I56 HydrophobicContact CG1-CG2 3.59Å; V40-L57 HydrophobicContact CB-CD2 4.2Å; V40-L57 HydrophobicContact CG1-CD2 4.44Å; V40-L57 HydrophobicContact CG1-CG 4.33Å; V40-L57 HydrophobicContact CG2-CD2 3.81Å; V40-M60 HydrophobicContact CG2-CE 3.84Å; V40-I92 HydrophobicContact CG2-CG2 3.77Å; V40-V96 HydrophobicContact CG1-CG2 4.37Å |
| 41 | Q | 84 | Confident | 85.7 | Confident | 58 Ų | 58 | 51.8 Ų | 51.8 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | -178.9 | -174.5 | 68.1 | 56.1 | 0 | 0 | 111.2 | R37 N38 L43 A44 D45 G50 T53 | R37-Q41 WeakPolarHBondContact O-CB 3.23Å; R37-Q41 PolarHBondContact O-N 2.88Å; N38-Q41 PolarHBondContact O-N 3.47Å; Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 3.47Å; Q41-A44 PolarHBondContact O-N 3.22Å; Q41-A44 VanDerWaalsContact O-N 3.11Å; Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 WeakPolarHBondContact O-CB 3.35Å; Q41-D45 PolarHBondContact O-N 3.11Å; Q41-G50 PolarHBondContact NE2-O 3.05Å; Q41-T53 HydrophobicContact CB-CG2 4.19Å; Q41-T53 PolarHBondContact NE2-OG1 3.45Å; Q41-T53 PolarHBondContact OE1-OG1 2.93Å |
| 42 | V | 82.2 | Confident | 86.6 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 47% | 0.473 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | -179.6 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | N38 Q46 | N38-V42 WeakPolarHBondContact O-CG2 3.26Å; N38-V42 PolarHBondContact O-N 2.97Å; V42-Q46 WeakPolarHBondContact O-CG 3.23Å; V42-Q46 PolarHBondContact O-N 3.1Å |
| 43 | L | 90.5 | Very high | 87 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74 | -36.2 | 177.9 | -68.8 | 167.2 | 0 | 0 | 0 | 112.3 | D39 V40 Q41 Q46 A47 I92 E93 V96 | D39-L43 WeakPolarHBondContact O-CD1 3.36Å; D39-L43 WeakPolarHBondContact O-CG 3.49Å; D39-L43 PolarHBondContact O-N 3.36Å; V40-L43 PolarHBondContact O-N 3.28Å; Q41-L43 VanDerWaalsContact C-N 3.27Å; Q41-L43 PolarHBondContact O-N 3.47Å; L43-Q46 PolarHBondContact O-N 2.96Å; L43-A47 VanDerWaalsContact O-CB 3.28Å; L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 3.27Å; L43-I92 HydrophobicContact CD1-CB 4.49Å; L43-I92 HydrophobicContact CD1-CG2 3.69Å; L43-E93 HydrophobicContact CD1-CB 4.44Å; L43-E93 HydrophobicContact CD1-CG 3.61Å; L43-E93 HydrophobicContact CD2-CG 3.92Å; L43-E93 HydrophobicContact CG-CG 4.45Å; L43-V96 HydrophobicContact CB-CB 4.26Å; L43-V96 HydrophobicContact CB-CG1 3.95Å; L43-V96 HydrophobicContact CB-CG2 4.05Å |
| 44 | A | 89.4 | Confident | 87 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V40 Q41 A47 G48 V49 G50 I56 | V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.94Å; Q41-A44 PolarHBondContact O-N 3.22Å; Q41-A44 VanDerWaalsContact O-N 3.11Å; A44-A47 CarbonylContact O-C 3.29Å; A44-A47 PolarHBondContact O-N 3.16Å; A44-G48 PolarHBondContact O-N 2.9Å; A44-V49 HydrophobicContact CB-CG2 4.2Å; A44-V49 CarbonylContact O-C 3.18Å; A44-V49 PolarHBondContact O-N 2.96Å; A44-G50 PolarHBondContact O-N 3.15Å; A44-I56 HydrophobicContact CB-CD1 3.77Å |
| 45 | D | 83.9 | Confident | 87.7 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 173.9 | -66.7 | -23.7 | 0 | 0 | 0 | 110.7 | Q41 A47 G48 G50 | Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 WeakPolarHBondContact O-CB 3.35Å; Q41-D45 PolarHBondContact O-N 3.11Å; D45-A47 PolarHBondContact O-N 3.48Å; D45-G48 PolarHBondContact O-N 3.37Å; D45-G50 WeakPolarHBondContact OD1-CA 3.43Å |
| 46 | Q | 90.2 | Very high | 88.5 | Confident | 148 Ų | 148 | 47.1 Ų | 47.1 | 69% | 0.692 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.3 | -34.9 | 175.6 | -72.4 | 172.7 | 22.6 | 0 | 0 | 112.8 | V42 L43 G48 | V42-Q46 WeakPolarHBondContact O-CG 3.23Å; V42-Q46 PolarHBondContact O-N 3.1Å; L43-Q46 PolarHBondContact O-N 2.96Å; Q46-G48 VanDerWaalsContact C-N 3.31Å |
| 47 | A | 93.3 | Very high | 88.9 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.6 | -10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L43 A44 D45 V49 V96 A100 K104 | L43-A47 VanDerWaalsContact O-CB 3.28Å; L43-A47 WeakPolarHBondContact O-CB 3.43Å; L43-A47 PolarHBondContact O-N 3.27Å; A44-A47 CarbonylContact O-C 3.29Å; A44-A47 PolarHBondContact O-N 3.16Å; D45-A47 PolarHBondContact O-N 3.48Å; A47-V49 HydrophobicContact CB-CG2 4.05Å; A47-V96 HydrophobicContact CB-CG1 4.13Å; A47-A100 HydrophobicContact CB-CB 3.77Å; A47-K104 VanDerWaalsContact O-CE 3.29Å; A47-K104 WeakPolarHBondContact O-CE 3.25Å; A47-K104 PolarHBondContact O-NZ 2.97Å |
| 48 | G | 90.9 | Very high | 89.3 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 59% | 0.588 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78 | 30.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A44 D45 Q46 | A44-G48 PolarHBondContact O-N 2.9Å; D45-G48 PolarHBondContact O-N 3.37Å; Q46-G48 VanDerWaalsContact C-N 3.31Å |
| 49 | V | 93 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -134 | 25.4 | 178.7 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | A44 A47 D51 Y52 I56 F99 A100 Y103 | A44-V49 HydrophobicContact CB-CG2 4.2Å; A44-V49 CarbonylContact O-C 3.18Å; A44-V49 PolarHBondContact O-N 2.96Å; A47-V49 HydrophobicContact CB-CG2 4.05Å; V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.18Å; V49-Y52 HydrophobicContact CB-CD2 4.03Å; V49-Y52 HydrophobicContact CG1-CD2 4.45Å; V49-Y52 WeakPolarHBondContact O-CA 3.34Å; V49-Y52 WeakPolarHBondContact O-CB 3.39Å; V49-Y52 PolarHBondContact O-N 2.89Å; V49-I56 HydrophobicContact CG2-CD1 4.19Å; V49-F99 HydrophobicContact CG2-CD1 4.43Å; V49-A100 HydrophobicContact CG1-CB 4.07Å; V49-A100 HydrophobicContact CG2-CB 3.84Å; V49-Y103 HydrophobicContact CG1-CD1 3.55Å; V49-Y103 HydrophobicContact CG1-CE1 4.15Å; V49-Y103 HydrophobicContact CG1-CG 4.11Å | ||
| 50 | G | 82.8 | Confident | 90.9 | Very high | 12 Ų | 12 | 35 Ų | 35 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -52.6 | -38.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q41 A44 D45 Y52 T53 | Q41-G50 PolarHBondContact NE2-O 3.05Å; A44-G50 PolarHBondContact O-N 3.15Å; D45-G50 WeakPolarHBondContact OD1-CA 3.43Å; G50-Y52 PolarHBondContact O-N 2.99Å; G50-T53 PolarHBondContact O-N 3.19Å; G50-T53 PolarHBondContact O-OG1 3.19Å; G50-T53 VanDerWaalsContact O-OG1 3.09Å |
| 51 | D | 87.6 | Confident | 91.2 | Very high | 155 Ų | 155 | 35.8 Ų | 35.8 | 83% | 0.829 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -59.9 | -12.9 | 175.2 | -53.8 | -25.8 | 0 | 0 | 0 | 113.6 | V49 | V49-D51 VanDerWaalsContact C-N 3.28Å; V49-D51 PolarHBondContact O-N 3.18Å |
| 52 | Y | 94.1 | Very high | 91.6 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -112.2 | 14.3 | -176.1 | -53.8 | -70 | 0 | 0 | 0 | 113.4 | V49 G50 D54 V55 I56 F99 Y103 L113 | V49-Y52 HydrophobicContact CB-CD2 4.03Å; V49-Y52 HydrophobicContact CG1-CD2 4.45Å; V49-Y52 WeakPolarHBondContact O-CA 3.34Å; V49-Y52 WeakPolarHBondContact O-CB 3.39Å; V49-Y52 PolarHBondContact O-N 2.89Å; G50-Y52 PolarHBondContact O-N 2.99Å; Y52-D54 VanDerWaalsContact C-N 3.28Å; Y52-D54 PolarHBondContact O-N 3.45Å; Y52-V55 HydrophobicContact CD1-CG2 4.29Å; Y52-V55 WeakPolarHBondContact O-CA 3.47Å; Y52-V55 VanDerWaalsContact O-CB 3.25Å; Y52-V55 WeakPolarHBondContact O-CB 3.43Å; Y52-V55 PolarHBondContact O-N 3Å; Y52-I56 PolarHBondContact O-N 3.06Å; Y52-F99 HydrophobicContact CG-CE1 4.42Å; Y52-Y103 HydrophobicContact CD2-CD2 4.47Å; Y52-Y103 HydrophobicContact CD2-CE2 4.19Å; Y52-Y103 HydrophobicContact CE1-CE2 4.33Å; Y52-Y103 HydrophobicContact CE2-CD2 4.09Å; Y52-Y103 AromaticContact CE2-CE1 3.94Å; Y52-Y103 HydrophobicContact CE2-CE1 3.94Å; Y52-Y103 AromaticContact CE2-CE2 3.39Å; Y52-Y103 HydrophobicContact CE2-CE2 3.39Å; Y52-Y103 AromaticContact CE2-CZ 3.29Å; Y52-Y103 WeakPolarHBondContact CE2-OH 3.42Å; Y52-Y103 AromaticContact CZ-CE2 3.46Å; Y52-Y103 VanDerWaalsContact CZ-CE2 3.46Å; Y52-Y103 AromaticContact CZ-CZ 3.67Å; Y52-Y103 WeakPolarHBondContact OH-CE2 3.35Å; Y52-Y103 PolarHBondContact OH-OH 2.7Å; Y52-L113 HydrophobicContact CD1-CD1 3.84Å; Y52-L113 HydrophobicContact CD1-CD2 3.94Å; Y52-L113 HydrophobicContact CE1-CD1 3.82Å; Y52-L113 HydrophobicContact CE1-CD2 3.82Å; Y52-L113 HydrophobicContact CE1-CG 4.44Å; Y52-L113 HydrophobicContact CG-CD1 4.48Å |
| 53 | T | 90.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -50.4 | -43.7 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 113.3 | V40 Q41 G50 V55 I56 L57 | V40-T53 HydrophobicContact CG1-CG2 4.03Å; Q41-T53 HydrophobicContact CB-CG2 4.19Å; Q41-T53 PolarHBondContact NE2-OG1 3.45Å; Q41-T53 PolarHBondContact OE1-OG1 2.93Å; G50-T53 PolarHBondContact O-N 3.19Å; G50-T53 PolarHBondContact O-OG1 3.19Å; G50-T53 VanDerWaalsContact O-OG1 3.09Å; T53-V55 VanDerWaalsContact C-N 3.26Å; T53-V55 PolarHBondContact O-N 2.88Å; T53-I56 PolarHBondContact O-N 3.1Å; T53-I56 VanDerWaalsContact O-N 3.14Å; T53-L57 HydrophobicContact CG2-CD1 3.95Å; T53-L57 HydrophobicContact CG2-CG 4.39Å; T53-L57 WeakPolarHBondContact O-CG 3.5Å; T53-L57 PolarHBondContact O-N 2.84Å |
| 54 | D | 90.7 | Very high | 92.2 | Very high | 34 Ų | 34 | 33 Ų | 33 | 18% | 0.182 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -26 | 177 | -72.1 | -46.3 | 0 | 0 | 0 | 113.3 | R37 Y52 G58 K194 T198 Q201 | R37-D54 IonicContact CZ-OD1 3.63Å; R37-D54 IonicContact NH1-OD1 2.76Å; R37-D54 PolarHBondContact NH1-OD1 3.14Å; R37-D54 IonicContact NH1-OD2 3.92Å; R37-D54 IonicContact NH2-OD1 3.42Å; R37-D54 PolarHBondContact NH2-OD1 3.12Å; Y52-D54 VanDerWaalsContact C-N 3.28Å; Y52-D54 PolarHBondContact O-N 3.45Å; D54-G58 PolarHBondContact O-N 2.98Å; D54-K194 HydrophobicContact CB-CG 3.83Å; D54-T198 HydrophobicContact CB-CG2 4.2Å; D54-Q201 PolarHBondContact OD1-NE2 3.38Å; D54-Q201 VanDerWaalsContact OD1-NE2 3.12Å; D54-Q201 PolarHBondContact OD2-NE2 2.83Å |
| 55 | V | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.1 | -42.8 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | Y52 T53 G58 I59 F99 L113 I117 V190 K194 | Y52-V55 HydrophobicContact CD1-CG2 4.29Å; Y52-V55 WeakPolarHBondContact O-CA 3.47Å; Y52-V55 VanDerWaalsContact O-CB 3.25Å; Y52-V55 WeakPolarHBondContact O-CB 3.43Å; Y52-V55 PolarHBondContact O-N 3Å; T53-V55 VanDerWaalsContact C-N 3.26Å; T53-V55 PolarHBondContact O-N 2.88Å; V55-G58 CarbonylContact O-C 3.5Å; V55-G58 WeakPolarHBondContact O-CA 3.22Å; V55-G58 PolarHBondContact O-N 3.29Å; V55-G58 VanDerWaalsContact O-N 3.08Å; V55-I59 PolarHBondContact O-N 2.95Å; V55-F99 HydrophobicContact CB-CZ 4.35Å; V55-F99 HydrophobicContact CG1-CE2 3.88Å; V55-F99 HydrophobicContact CG1-CZ 3.82Å; V55-L113 HydrophobicContact CG2-CD2 4.32Å; V55-I117 HydrophobicContact CG1-CD1 3.5Å; V55-I117 VanDerWaalsContact CG1-CD1 3.5Å; V55-I117 HydrophobicContact CG1-CG1 3.58Å; V55-V190 HydrophobicContact CG1-CG1 4.07Å; V55-K194 HydrophobicContact CG2-CD 4.15Å |
| 56 | I | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 178.7 | -58.2 | 166.4 | 0 | 0 | 0 | 110.8 | V40 A44 V49 Y52 T53 G58 I59 M60 M72 V96 F99 | V40-I56 HydrophobicContact CG1-CB 3.81Å; V40-I56 HydrophobicContact CG1-CD1 4.42Å; V40-I56 HydrophobicContact CG1-CG2 3.59Å; A44-I56 HydrophobicContact CB-CD1 3.77Å; V49-I56 HydrophobicContact CG2-CD1 4.19Å; Y52-I56 PolarHBondContact O-N 3.06Å; T53-I56 PolarHBondContact O-N 3.1Å; T53-I56 VanDerWaalsContact O-N 3.14Å; I56-G58 VanDerWaalsContact C-N 3.3Å; I56-G58 PolarHBondContact O-N 3.43Å; I56-I59 WeakPolarHBondContact O-CB 3.25Å; I56-I59 PolarHBondContact O-N 3.48Å; I56-M60 PolarHBondContact O-N 3.37Å; I56-M72 HydrophobicContact CG2-CE 3.61Å; I56-V96 HydrophobicContact CD1-CG1 4.48Å; I56-V96 HydrophobicContact CD1-CG2 4.48Å; I56-V96 HydrophobicContact CG2-CG2 3.98Å; I56-F99 HydrophobicContact CD1-CD1 3.81Å; I56-F99 HydrophobicContact CD1-CE1 4.27Å; I56-F99 HydrophobicContact CG1-CB 4.49Å; I56-F99 HydrophobicContact CG1-CD1 3.49Å; I56-F99 VanDerWaalsContact CG1-CD1 3.49Å; I56-F99 HydrophobicContact CG1-CE1 3.91Å; I56-F99 HydrophobicContact CG1-CG 4.05Å |
| 57 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 169.6 | -67.2 | 170.4 | 0 | 0 | 0 | 111.3 | V33 R37 V40 T53 I59 M60 Y61 I197 | V33-L57 HydrophobicContact CG1-CB 3.9Å; V33-L57 HydrophobicContact CG1-CD2 3.85Å; V33-L57 HydrophobicContact CG1-CG 4.46Å; V33-L57 WeakPolarHBondContact CG1-O 3.49Å; R37-L57 HydrophobicContact CB-CD1 4.08Å; R37-L57 HydrophobicContact CG-CD1 4.21Å; R37-L57 VanDerWaalsContact CZ-CD1 3.49Å; R37-L57 VanDerWaalsContact NH2-CD1 3.34Å; V40-L57 HydrophobicContact CB-CD2 4.2Å; V40-L57 HydrophobicContact CG1-CD2 4.44Å; V40-L57 HydrophobicContact CG1-CG 4.33Å; V40-L57 HydrophobicContact CG2-CD2 3.81Å; T53-L57 HydrophobicContact CG2-CD1 3.95Å; T53-L57 HydrophobicContact CG2-CG 4.39Å; T53-L57 WeakPolarHBondContact O-CG 3.5Å; T53-L57 PolarHBondContact O-N 2.84Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 PolarHBondContact O-N 2.9Å; L57-M60 HydrophobicContact CD2-CE 4.45Å; L57-M60 WeakPolarHBondContact O-CB 3.36Å; L57-M60 PolarHBondContact O-N 3.05Å; L57-Y61 WeakPolarHBondContact O-CB 3.2Å; L57-Y61 PolarHBondContact O-N 3.26Å; L57-I197 HydrophobicContact CB-CD1 3.88Å; L57-I197 HydrophobicContact CB-CG2 4.07Å; L57-I197 HydrophobicContact CD1-CG2 4.14Å; L57-I197 VanDerWaalsContact O-CD1 3.27Å; L57-I197 WeakPolarHBondContact O-CD1 3.42Å |
| 58 | G | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | D54 V55 I56 T62 I197 | D54-G58 PolarHBondContact O-N 2.98Å; V55-G58 CarbonylContact O-C 3.5Å; V55-G58 WeakPolarHBondContact O-CA 3.22Å; V55-G58 PolarHBondContact O-N 3.29Å; V55-G58 VanDerWaalsContact O-N 3.08Å; I56-G58 VanDerWaalsContact C-N 3.3Å; I56-G58 PolarHBondContact O-N 3.43Å; G58-T62 WeakPolarHBondContact O-CB 3.19Å; G58-T62 PolarHBondContact O-N 3.15Å; G58-T62 PolarHBondContact O-OG1 2.9Å; G58-I197 VanDerWaalsContact N-CD1 3.32Å |
| 59 | I | 97.2 | Very high | 92 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -52.6 | 170.3 | -71.9 | 166.5 | 0 | 0 | 0 | 109.9 | V55 I56 L57 Y61 T62 E63 M72 F99 Y120 Y186 V190 | V55-I59 PolarHBondContact O-N 2.95Å; I56-I59 WeakPolarHBondContact O-CB 3.25Å; I56-I59 PolarHBondContact O-N 3.48Å; L57-I59 VanDerWaalsContact C-N 3.32Å; L57-I59 PolarHBondContact O-N 2.9Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 3.01Å; I59-T62 WeakPolarHBondContact O-CA 3.49Å; I59-T62 WeakPolarHBondContact O-CB 3.27Å; I59-T62 PolarHBondContact O-N 3.46Å; I59-E63 HydrophobicContact CG2-CG 4.18Å; I59-E63 WeakPolarHBondContact O-CG 3.35Å; I59-E63 PolarHBondContact O-N 3.41Å; I59-M72 HydrophobicContact CB-CE 4.16Å; I59-M72 HydrophobicContact CG2-CE 3.55Å; I59-M72 HydrophobicContact CG2-SD 4.47Å; I59-F99 HydrophobicContact CD1-CB 4.38Å; I59-F99 HydrophobicContact CD1-CD2 3.57Å; I59-F99 HydrophobicContact CD1-CE2 4.18Å; I59-F99 HydrophobicContact CD1-CG 4.14Å; I59-Y120 HydrophobicContact CD1-CD2 3.94Å; I59-Y120 HydrophobicContact CD1-CE2 4.34Å; I59-Y120 HydrophobicContact CD1-CG 4.13Å; I59-Y120 HydrophobicContact CG2-CD1 4.08Å; I59-Y120 HydrophobicContact CG2-CD2 4.49Å; I59-Y120 HydrophobicContact CG2-CE1 3.65Å; I59-Y120 HydrophobicContact CG2-CE2 4.08Å; I59-Y120 HydrophobicContact CG2-CG 4.5Å; I59-Y186 HydrophobicContact CG1-CE1 4.42Å; I59-V190 HydrophobicContact CG1-CG1 4Å; I59-V190 HydrophobicContact CG1-CG2 3.92Å |
| 60 | M | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54 | -43 | 177.5 | -168.9 | -172.5 | -70.3 | 0 | 0 | 112.6 | V33 Y36 V40 I56 L57 S64 K65 L71 M72 I92 | V33-M60 HydrophobicContact CG1-CB 4.35Å; V33-M60 HydrophobicContact CG1-SD 4.18Å; V33-M60 HydrophobicContact CG2-CG 4.48Å; V33-M60 HydrophobicContact CG2-SD 4.41Å; Y36-M60 HydrophobicContact CD2-CE 4.26Å; Y36-M60 HydrophobicContact CD2-SD 3.57Å; Y36-M60 VanDerWaalsContact CD2-SD 3.57Å; Y36-M60 HydrophobicContact CE2-SD 4.24Å; Y36-M60 HydrophobicContact CG-CE 4.25Å; Y36-M60 HydrophobicContact CG-SD 4.16Å; V40-M60 HydrophobicContact CG2-CE 3.84Å; I56-M60 PolarHBondContact O-N 3.37Å; L57-M60 HydrophobicContact CD2-CE 4.45Å; L57-M60 WeakPolarHBondContact O-CB 3.36Å; L57-M60 PolarHBondContact O-N 3.05Å; M60-S64 PolarHBondContact O-N 3.35Å; M60-S64 PolarHBondContact O-OG 2.97Å; M60-S64 VanDerWaalsContact O-OG 3.05Å; M60-K65 PolarHBondContact O-N 3.39Å; M60-K65 VanDerWaalsContact O-N 3.1Å; M60-L71 HydrophobicContact CE-CB 4.44Å; M60-L71 HydrophobicContact CE-CD1 4.36Å; M60-L71 HydrophobicContact CG-CB 4.15Å; M60-L71 HydrophobicContact SD-CB 4.41Å; M60-L71 HydrophobicContact SD-CD1 4.39Å; M60-M72 HydrophobicContact CB-SD 3.59Å; M60-M72 VanDerWaalsContact CB-SD 3.59Å; M60-M72 HydrophobicContact CE-SD 3.99Å; M60-M72 HydrophobicContact CG-SD 4Å; M60-I92 HydrophobicContact CE-CD1 4.2Å; M60-I92 HydrophobicContact CE-CG1 3.87Å |
| 61 | Y | 94.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 33.4 Ų | 33.4 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.1 | -171.7 | -74.2 | 0 | 0 | 0 | 111.9 | N29 T30 V33 L57 I59 K65 N193 | N29-Y61 HydrophobicContact CB-CD2 4.21Å; N29-Y61 HydrophobicContact CB-CE2 3.36Å; N29-Y61 PolarHBondContact ND2-OH 3.05Å; T30-Y61 WeakPolarHBondContact OG1-CE2 3.46Å; V33-Y61 HydrophobicContact CB-CD2 4.49Å; V33-Y61 HydrophobicContact CG2-CD2 3.96Å; V33-Y61 HydrophobicContact CG2-CG 4.41Å; L57-Y61 WeakPolarHBondContact O-CB 3.2Å; L57-Y61 PolarHBondContact O-N 3.26Å; I59-Y61 VanDerWaalsContact C-N 3.28Å; I59-Y61 PolarHBondContact O-N 3.01Å; Y61-K65 VanDerWaalsContact O-CG 3.27Å; Y61-K65 WeakPolarHBondContact O-CG 3.48Å; Y61-K65 PolarHBondContact O-N 2.94Å; Y61-N193 HydrophobicContact CD1-CB 3.79Å; Y61-N193 WeakPolarHBondContact CD1-ND2 3.5Å; Y61-N193 WeakPolarHBondContact CD1-OD1 3.32Å; Y61-N193 HydrophobicContact CE1-CB 4.49Å; Y61-N193 WeakPolarHBondContact CE1-OD1 3.47Å; Y61-N193 HydrophobicContact CG-CB 4.18Å |
| 62 | T | 92.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 26 Ų | 26 | 19% | 0.19 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 179.3 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | G58 I59 Y186 I189 V190 N193 | G58-T62 WeakPolarHBondContact O-CB 3.19Å; G58-T62 PolarHBondContact O-N 3.15Å; G58-T62 PolarHBondContact O-OG1 2.9Å; I59-T62 WeakPolarHBondContact O-CA 3.49Å; I59-T62 WeakPolarHBondContact O-CB 3.27Å; I59-T62 PolarHBondContact O-N 3.46Å; T62-Y186 HydrophobicContact CG2-CD2 4.11Å; T62-Y186 HydrophobicContact CG2-CE2 3.7Å; T62-I189 HydrophobicContact CG2-CG2 3.71Å; T62-V190 HydrophobicContact CG2-CG2 4.33Å; T62-N193 PolarHBondContact OG1-ND2 3.29Å |
| 63 | E | 93.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 27% | 0.266 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -76.2 | -50 | -175.8 | -67.4 | -58.8 | 161.6 | 0 | 0 | 113.1 | I59 Q73 Y186 | I59-E63 HydrophobicContact CG2-CG 4.18Å; I59-E63 WeakPolarHBondContact O-CG 3.35Å; I59-E63 PolarHBondContact O-N 3.41Å; E63-Q73 HydrophobicContact CB-CB 4.15Å; E63-Q73 HydrophobicContact CB-CG 3.84Å; E63-Q73 HydrophobicContact CG-CB 4.23Å; E63-Q73 HydrophobicContact CG-CG 4.42Å; E63-Y186 WeakPolarHBondContact OE1-CE2 3.46Å; E63-Y186 VanDerWaalsContact OE1-CZ 3.24Å; E63-Y186 PolarHBondContact OE1-OH 3.09Å |
| 64 | S | 93.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -15.1 | -169 | 71.5 | 0 | 0 | 0 | 0 | 115.4 | M60 G66 Q67 L71 | M60-S64 PolarHBondContact O-N 3.35Å; M60-S64 PolarHBondContact O-OG 2.97Å; M60-S64 VanDerWaalsContact O-OG 3.05Å; S64-G66 PolarHBondContact O-N 2.83Å; S64-G66 PolarHBondContact OG-N 3.12Å; S64-Q67 WeakPolarHBondContact CB-O 3.49Å; S64-Q67 WeakPolarHBondContact O-CB 3.4Å; S64-Q67 PolarHBondContact O-N 3.44Å; S64-Q67 VanDerWaalsContact O-N 3.13Å; S64-L71 WeakPolarHBondContact CB-O 3.48Å; S64-L71 WeakPolarHBondContact OG-CA 3.41Å; S64-L71 PolarHBondContact OG-O 2.99Å |
| 65 | K | 89.9 | Confident | 91.7 | Very high | 86 Ų | 86 | 26.5 Ų | 26.5 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25 | -167.6 | -58.5 | 156.6 | -172.1 | 132.2 | 0 | 112.6 | N29 M60 Y61 | N29-K65 HydrophobicContact CB-CB 4.15Å; M60-K65 PolarHBondContact O-N 3.39Å; M60-K65 VanDerWaalsContact O-N 3.1Å; Y61-K65 VanDerWaalsContact O-CG 3.27Å; Y61-K65 WeakPolarHBondContact O-CG 3.48Å; Y61-K65 PolarHBondContact O-N 2.94Å |
| 66 | G | 89.7 | Confident | 90.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 20.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T32 Y36 S64 L71 | T32-G66 VanDerWaalsContact CG2-O 3.29Å; T32-G66 WeakPolarHBondContact CG2-O 3.27Å; Y36-G66 PolarHBondContact OH-O 3.47Å; S64-G66 PolarHBondContact O-N 2.83Å; S64-G66 PolarHBondContact OG-N 3.12Å; G66-L71 VanDerWaalsContact C-CD2 3.46Å |
| 67 | Q | 88.9 | Confident | 89.6 | Confident | 120 Ų | 120 | 34 Ų | 34 | 56% | 0.561 | 19% | 0.188 | S | C | * | . | trans | -116.6 | 140.5 | -174 | -57.8 | -173.2 | -11.1 | 0 | 0 | 112.8 | S64 | S64-Q67 WeakPolarHBondContact CB-O 3.49Å; S64-Q67 WeakPolarHBondContact O-CB 3.4Å; S64-Q67 PolarHBondContact O-N 3.44Å; S64-Q67 VanDerWaalsContact O-N 3.13Å | ||
| 68 | G | 87.9 | Confident | 87.9 | Confident | 50 Ų | 50 | 36.2 Ų | 36.2 | 52% | 0.515 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 92.6 | -169.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L71 Q88 | G68-L71 WeakPolarHBondContact O-CD2 3.43Å; G68-Q88 PolarHBondContact O-NE2 3.45Å |
| 69 | T | 87.4 | Confident | 86.6 | Confident | 72 Ų | 72 | 42.4 Ų | 42.4 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -87.6 | -45.4 | 178.9 | 55 | 0 | 0 | 0 | 0 | 112.1 | L71 I85 I86 Q88 S91 | T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 3.26Å; T69-L71 VanDerWaalsContact O-N 3.13Å; T69-I85 PolarHBondContact OG1-O 2.91Å; T69-I86 WeakPolarHBondContact CG2-O 3.07Å; T69-Q88 WeakPolarHBondContact O-CA 3.25Å; T69-S91 WeakPolarHBondContact O-CB 3.42Å |
| 70 | D | 89.9 | Confident | 85.5 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | trans | -89.2 | 70.2 | 179 | -163.7 | 0.4 | 0 | 0 | 0 | 111.3 | M72 Q73 S74 S75 I85 S91 | D70-M72 PolarHBondContact O-N 2.7Å; D70-Q73 PolarHBondContact O-N 2.93Å; D70-Q73 VanDerWaalsContact O-N 3.15Å; D70-Q73 PolarHBondContact O-NE2 3.2Å; D70-Q73 WeakPolarHBondContact OD1-CA 3.32Å; D70-Q73 PolarHBondContact OD1-N 3.29Å; D70-Q73 VanDerWaalsContact OD1-N 3.15Å; D70-S74 PolarHBondContact OD1-N 3.47Å; D70-S74 PolarHBondContact OD2-N 3.37Å; D70-S75 VanDerWaalsContact OD2-CB 3.25Å; D70-S75 WeakPolarHBondContact OD2-CB 3.49Å; D70-S75 PolarHBondContact OD2-N 2.97Å; D70-S75 VanDerWaalsContact OD2-N 3.11Å; D70-S75 PolarHBondContact OD2-OG 3.46Å; D70-I85 HydrophobicContact CB-CB 4.27Å; D70-S91 WeakPolarHBondContact CA-OG 3.47Å; D70-S91 PolarHBondContact OD1-OG 2.94Å | ||
| 71 | L | 92.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -30.6 | -177.7 | -63 | -178.1 | 0 | 0 | 0 | 114.5 | Y36 M60 S64 G66 G68 T69 Q88 S91 I92 | Y36-L71 HydrophobicContact CD1-CD1 4.06Å; Y36-L71 HydrophobicContact CD2-CD1 4.24Å; Y36-L71 HydrophobicContact CE1-CD1 3.72Å; Y36-L71 HydrophobicContact CE2-CD1 3.92Å; Y36-L71 HydrophobicContact CE2-CD2 4.49Å; Y36-L71 HydrophobicContact CG-CD1 4.3Å; M60-L71 HydrophobicContact CE-CB 4.44Å; M60-L71 HydrophobicContact CE-CD1 4.36Å; M60-L71 HydrophobicContact CG-CB 4.15Å; M60-L71 HydrophobicContact SD-CB 4.41Å; M60-L71 HydrophobicContact SD-CD1 4.39Å; S64-L71 WeakPolarHBondContact CB-O 3.48Å; S64-L71 WeakPolarHBondContact OG-CA 3.41Å; S64-L71 PolarHBondContact OG-O 2.99Å; G66-L71 VanDerWaalsContact C-CD2 3.46Å; G68-L71 WeakPolarHBondContact O-CD2 3.43Å; T69-L71 VanDerWaalsContact C-N 3.34Å; T69-L71 PolarHBondContact O-N 3.26Å; T69-L71 VanDerWaalsContact O-N 3.13Å; L71-Q88 HydrophobicContact CD1-CB 3.72Å; L71-Q88 HydrophobicContact CD1-CG 3.91Å; L71-Q88 HydrophobicContact CD2-CG 4.39Å; L71-Q88 HydrophobicContact CG-CB 4.21Å; L71-Q88 HydrophobicContact CG-CG 4.01Å; L71-S91 PolarHBondContact N-OG 3.09Å; L71-I92 HydrophobicContact CD1-CD1 4.03Å; L71-I92 HydrophobicContact CD1-CG1 4.14Å |
| 72 | M | 94.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 3 | -176.8 | -61.7 | -62.7 | -70.3 | 0 | 0 | 113.1 | I56 I59 M60 D70 S74 S91 Y120 | I56-M72 HydrophobicContact CG2-CE 3.61Å; I59-M72 HydrophobicContact CB-CE 4.16Å; I59-M72 HydrophobicContact CG2-CE 3.55Å; I59-M72 HydrophobicContact CG2-SD 4.47Å; M60-M72 HydrophobicContact CB-SD 3.59Å; M60-M72 VanDerWaalsContact CB-SD 3.59Å; M60-M72 HydrophobicContact CE-SD 3.99Å; M60-M72 HydrophobicContact CG-SD 4Å; D70-M72 PolarHBondContact O-N 2.7Å; M72-S74 PolarHBondContact O-N 2.93Å; M72-S74 VanDerWaalsContact O-N 3.12Å; M72-S91 WeakPolarHBondContact CB-O 3.3Å; M72-S91 VanDerWaalsContact CG-O 3.29Å; M72-S91 WeakPolarHBondContact CG-O 3.27Å; M72-S91 PolarHBondContact N-OG 3.47Å; M72-Y120 PolarHBondContact O-OH 2.94Å |
| 73 | Q | 89.6 | Confident | 83 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | trans | 47.3 | 34.9 | -172.2 | -68.4 | -65.2 | -72.3 | 0 | 0 | 113.6 | E63 D70 S75 | E63-Q73 HydrophobicContact CB-CB 4.15Å; E63-Q73 HydrophobicContact CB-CG 3.84Å; E63-Q73 HydrophobicContact CG-CB 4.23Å; E63-Q73 HydrophobicContact CG-CG 4.42Å; D70-Q73 PolarHBondContact O-N 2.93Å; D70-Q73 VanDerWaalsContact O-N 3.15Å; D70-Q73 PolarHBondContact O-NE2 3.2Å; D70-Q73 WeakPolarHBondContact OD1-CA 3.32Å; D70-Q73 PolarHBondContact OD1-N 3.29Å; D70-Q73 VanDerWaalsContact OD1-N 3.15Å; Q73-S75 PolarHBondContact O-N 3.21Å | ||
| 74 | S | 85 | Confident | 82.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.6 | -168.5 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | D70 M72 E76 S77 A78 I85 S91 S94 | D70-S74 PolarHBondContact OD1-N 3.47Å; D70-S74 PolarHBondContact OD2-N 3.37Å; M72-S74 PolarHBondContact O-N 2.93Å; M72-S74 VanDerWaalsContact O-N 3.12Å; S74-E76 PolarHBondContact O-N 3.16Å; S74-S77 PolarHBondContact O-N 3.41Å; S74-S77 VanDerWaalsContact O-N 3.08Å; S74-A78 PolarHBondContact O-N 2.85Å; S74-I85 VanDerWaalsContact OG-CD1 3.25Å; S74-I85 WeakPolarHBondContact OG-CD1 3.37Å; S74-S91 PolarHBondContact OG-O 3.45Å; S74-S94 VanDerWaalsContact OG-CB 3.31Å; S74-S94 WeakPolarHBondContact OG-CB 3.36Å; S74-S94 PolarHBondContact OG-OG 3.15Å |
| 75 | S | 80.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53 | -36.3 | 176.3 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | D70 Q73 Y79 S81 G83 K84 I85 | D70-S75 VanDerWaalsContact OD2-CB 3.25Å; D70-S75 WeakPolarHBondContact OD2-CB 3.49Å; D70-S75 PolarHBondContact OD2-N 2.97Å; D70-S75 VanDerWaalsContact OD2-N 3.11Å; D70-S75 PolarHBondContact OD2-OG 3.46Å; Q73-S75 PolarHBondContact O-N 3.21Å; S75-Y79 WeakPolarHBondContact O-CA 3.3Å; S75-Y79 WeakPolarHBondContact O-CB 3.44Å; S75-Y79 PolarHBondContact O-N 2.97Å; S75-S81 CarbonylContact C-O 3.59Å; S75-S81 VanDerWaalsContact CB-O 3.31Å; S75-S81 WeakPolarHBondContact CB-O 3.45Å; S75-G83 PolarHBondContact OG-N 3.12Å; S75-K84 PolarHBondContact OG-N 3.22Å; S75-I85 PolarHBondContact OG-N 2.68Å; S75-I85 VanDerWaalsContact OG-N 3.12Å |
| 76 | E | 76.5 | Confident | 81.7 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 178.3 | -66.3 | -169.5 | -120.4 | 0 | 0 | 111.8 | S74 G80 R82 | S74-E76 PolarHBondContact O-N 3.16Å; E76-G80 WeakPolarHBondContact O-CA 3.28Å; E76-G80 PolarHBondContact O-N 3.09Å; E76-R82 HydrophobicContact CG-CG 3.68Å; E76-R82 WeakPolarHBondContact OE1-CG 3.16Å; E76-R82 IonicContact OE1-CZ 3.79Å; E76-R82 VanDerWaalsContact OE1-CZ 3.27Å; E76-R82 IonicContact OE1-NE 2.73Å; E76-R82 PolarHBondContact OE1-NE 2.86Å; E76-R82 IonicContact OE1-NH2 3.61Å; E76-R82 PolarHBondContact OE1-NH2 2.95Å |
| 77 | S | 70.8 | Confident | 81.6 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 176 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | S74 H98 | S74-S77 PolarHBondContact O-N 3.41Å; S74-S77 VanDerWaalsContact O-N 3.08Å; S77-H98 PolarHBondContact OG-CD2 2.92Å; S77-H98 PolarHBondContact OG-CE1 2.88Å; S77-H98 PolarHBondContact OG-ND1 2.97Å; S77-H98 PolarHBondContact OG-NE2 3.37Å |
| 78 | A | 59.6 | Low | 81.7 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -80.4 | -39.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S74 I85 | S74-A78 PolarHBondContact O-N 2.85Å; A78-I85 HydrophobicContact CB-CD1 4.36Å |
| 79 | Y | 67.3 | Low | 81.7 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -130.8 | 3.8 | -166.4 | -64.3 | -74.1 | 0 | 0 | 0 | 114.6 | S75 S81 K84 I85 E90 | S75-Y79 WeakPolarHBondContact O-CA 3.3Å; S75-Y79 WeakPolarHBondContact O-CB 3.44Å; S75-Y79 PolarHBondContact O-N 2.97Å; Y79-S81 PolarHBondContact O-N 3.2Å; Y79-S81 VanDerWaalsContact O-N 3.09Å; Y79-S81 PolarHBondContact O-OG 3.1Å; Y79-K84 HydrophobicContact CD2-CB 3.43Å; Y79-K84 VanDerWaalsContact CD2-CB 3.43Å; Y79-K84 HydrophobicContact CD2-CG 4.34Å; Y79-K84 HydrophobicContact CE2-CB 4.11Å; Y79-K84 HydrophobicContact CG-CB 3.73Å; Y79-K84 HydrophobicContact CG-CG 4.17Å; Y79-I85 HydrophobicContact CD2-CG1 4.22Å; Y79-I85 HydrophobicContact CE2-CG1 3.91Å; Y79-E90 WeakPolarHBondContact CE2-OE1 3.26Å; Y79-E90 PolarHBondContact OH-OE1 3.26Å |
| 80 | G | 74.8 | Confident | 81.9 | Confident | 70 Ų | 70 | 63 Ų | 63 | 72% | 0.722 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 63.1 | 12.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E76 | E76-G80 WeakPolarHBondContact O-CA 3.28Å; E76-G80 PolarHBondContact O-N 3.09Å |
| 81 | S | 77 | Confident | 82.2 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -156.4 | 145.2 | -177.3 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | S75 Y79 K84 | S75-S81 CarbonylContact C-O 3.59Å; S75-S81 VanDerWaalsContact CB-O 3.31Å; S75-S81 WeakPolarHBondContact CB-O 3.45Å; Y79-S81 PolarHBondContact O-N 3.2Å; Y79-S81 VanDerWaalsContact O-N 3.09Å; Y79-S81 PolarHBondContact O-OG 3.1Å; S81-K84 VanDerWaalsContact OG-CE 3.25Å; S81-K84 WeakPolarHBondContact OG-CE 3.29Å; S81-K84 WeakPolarHBondContact OG-CG 3.45Å |
| 82 | R | 78 | Confident | 82.2 | Confident | 192 Ų | 192 | 62.7 Ų | 62.7 | 73% | 0.725 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66.4 | 149.6 | -177.6 | -69.9 | -176.7 | 175.7 | 172.8 | 2.6 | 113.4 | E76 K84 | E76-R82 HydrophobicContact CG-CG 3.68Å; E76-R82 WeakPolarHBondContact OE1-CG 3.16Å; E76-R82 IonicContact OE1-CZ 3.79Å; E76-R82 VanDerWaalsContact OE1-CZ 3.27Å; E76-R82 IonicContact OE1-NE 2.73Å; E76-R82 PolarHBondContact OE1-NE 2.86Å; E76-R82 IonicContact OE1-NH2 3.61Å; E76-R82 PolarHBondContact OE1-NH2 2.95Å; R82-K84 PolarHBondContact O-N 2.7Å |
| 83 | G | 77.2 | Confident | 82.2 | Confident | 65 Ų | 65 | 67.1 Ų | 67.1 | 67% | 0.67 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 67.3 | 34.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S75 | S75-G83 PolarHBondContact OG-N 3.12Š|
| 84 | K | 81.8 | Confident | 82.5 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | trans | -95.4 | -29.6 | 178.5 | -69.1 | -62.7 | -174.1 | -178.2 | 0 | 113.1 | S75 Y79 S81 R82 I86 | S75-K84 PolarHBondContact OG-N 3.22Å; Y79-K84 HydrophobicContact CD2-CB 3.43Å; Y79-K84 VanDerWaalsContact CD2-CB 3.43Å; Y79-K84 HydrophobicContact CD2-CG 4.34Å; Y79-K84 HydrophobicContact CE2-CB 4.11Å; Y79-K84 HydrophobicContact CG-CB 3.73Å; Y79-K84 HydrophobicContact CG-CG 4.17Å; S81-K84 VanDerWaalsContact OG-CE 3.25Å; S81-K84 WeakPolarHBondContact OG-CE 3.29Å; S81-K84 WeakPolarHBondContact OG-CG 3.45Å; R82-K84 PolarHBondContact O-N 2.7Å; K84-I86 PolarHBondContact O-N 3.41Å | ||
| 85 | I | 84.4 | Confident | 83 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | trans | -74.6 | 120.5 | 179.2 | -66.1 | 176.1 | 0 | 0 | 0 | 110.1 | T69 D70 S74 S75 A78 Y79 S87 E90 | T69-I85 PolarHBondContact OG1-O 2.91Å; D70-I85 HydrophobicContact CB-CB 4.27Å; S74-I85 VanDerWaalsContact OG-CD1 3.25Å; S74-I85 WeakPolarHBondContact OG-CD1 3.37Å; S75-I85 PolarHBondContact OG-N 2.68Å; S75-I85 VanDerWaalsContact OG-N 3.12Å; A78-I85 HydrophobicContact CB-CD1 4.36Å; Y79-I85 HydrophobicContact CD2-CG1 4.22Å; Y79-I85 HydrophobicContact CE2-CG1 3.91Å; I85-S87 VanDerWaalsContact CG2-O 3.23Å; I85-S87 WeakPolarHBondContact CG2-O 3.38Å; I85-E90 HydrophobicContact CG1-CG 4.25Å; I85-E90 HydrophobicContact CG2-CB 4.06Å; I85-E90 HydrophobicContact CG2-CG 3.93Å | ||
| 86 | I | 82.2 | Confident | 83.7 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 72% | 0.718 | 35% | 0.351 | S | S | * | . | trans | -105.8 | -11.2 | -175.2 | 59 | 170.5 | 0 | 0 | 0 | 113.3 | T69 K84 E90 | T69-I86 WeakPolarHBondContact CG2-O 3.07Å; K84-I86 PolarHBondContact O-N 3.41Å; I86-E90 PolarHBondContact N-OE2 3.05Å | ||
| 87 | S | 88 | Confident | 84.6 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -122.2 | 145.7 | 176.5 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | I85 Q89 E90 S91 | I85-S87 VanDerWaalsContact CG2-O 3.23Å; I85-S87 WeakPolarHBondContact CG2-O 3.38Å; S87-Q89 VanDerWaalsContact C-N 3.34Å; S87-E90 PolarHBondContact N-OE2 3.28Å; S87-E90 PolarHBondContact O-N 2.93Å; S87-E90 WeakPolarHBondContact OG-CB 3.47Å; S87-E90 PolarHBondContact OG-N 2.71Å; S87-E90 PolarHBondContact OG-OE2 3.38Å; S87-S91 PolarHBondContact O-N 3.38Å |
| 88 | Q | 90 | Very high | 85.8 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 179.2 | -69.1 | -177.5 | -37.4 | 0 | 0 | 111.8 | Y36 G68 T69 L71 S91 I92 | Y36-Q88 PolarHBondContact OH-NE2 3.19Å; G68-Q88 PolarHBondContact O-NE2 3.45Å; T69-Q88 WeakPolarHBondContact O-CA 3.25Å; L71-Q88 HydrophobicContact CD1-CB 3.72Å; L71-Q88 HydrophobicContact CD1-CG 3.91Å; L71-Q88 HydrophobicContact CD2-CG 4.39Å; L71-Q88 HydrophobicContact CG-CB 4.21Å; L71-Q88 HydrophobicContact CG-CG 4.01Å; Q88-S91 WeakPolarHBondContact O-CB 3.41Å; Q88-S91 PolarHBondContact O-N 3.1Å; Q88-I92 WeakPolarHBondContact O-CG1 3.29Å; Q88-I92 PolarHBondContact O-N 3.1Å |
| 89 | Q | 89.3 | Confident | 87.6 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 177.2 | -176.5 | 61.9 | 22.8 | 0 | 0 | 112.2 | S87 S91 I92 E93 | S87-Q89 VanDerWaalsContact C-N 3.34Å; Q89-S91 VanDerWaalsContact C-N 3.29Å; Q89-S91 PolarHBondContact O-N 2.99Å; Q89-I92 PolarHBondContact O-N 3.41Å; Q89-I92 VanDerWaalsContact O-N 3.16Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.37Å; Q89-E93 PolarHBondContact NE2-OE1 3.03Å; Q89-E93 WeakPolarHBondContact O-CG 3.39Å; Q89-E93 PolarHBondContact O-N 3.32Å |
| 90 | E | 91.8 | Very high | 89 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 176.1 | 177.7 | -166.5 | 175.4 | 0 | 0 | 112.2 | Y79 I85 I86 S87 S94 | Y79-E90 WeakPolarHBondContact CE2-OE1 3.26Å; Y79-E90 PolarHBondContact OH-OE1 3.26Å; I85-E90 HydrophobicContact CG1-CG 4.25Å; I85-E90 HydrophobicContact CG2-CB 4.06Å; I85-E90 HydrophobicContact CG2-CG 3.93Å; I86-E90 PolarHBondContact N-OE2 3.05Å; S87-E90 PolarHBondContact N-OE2 3.28Å; S87-E90 PolarHBondContact O-N 2.93Å; S87-E90 WeakPolarHBondContact OG-CB 3.47Å; S87-E90 PolarHBondContact OG-N 2.71Å; S87-E90 PolarHBondContact OG-OE2 3.38Å; E90-S94 VanDerWaalsContact O-CB 3.24Å; E90-S94 WeakPolarHBondContact O-CB 3.2Å; E90-S94 PolarHBondContact O-N 3.49Å |
| 91 | S | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.5 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | T69 D70 L71 M72 S74 S87 Q88 Q89 G95 | T69-S91 WeakPolarHBondContact O-CB 3.42Å; D70-S91 WeakPolarHBondContact CA-OG 3.47Å; D70-S91 PolarHBondContact OD1-OG 2.94Å; L71-S91 PolarHBondContact N-OG 3.09Å; M72-S91 WeakPolarHBondContact CB-O 3.3Å; M72-S91 VanDerWaalsContact CG-O 3.29Å; M72-S91 WeakPolarHBondContact CG-O 3.27Å; M72-S91 PolarHBondContact N-OG 3.47Å; S74-S91 PolarHBondContact OG-O 3.45Å; S87-S91 PolarHBondContact O-N 3.38Å; Q88-S91 WeakPolarHBondContact O-CB 3.41Å; Q88-S91 PolarHBondContact O-N 3.1Å; Q89-S91 VanDerWaalsContact C-N 3.29Å; Q89-S91 PolarHBondContact O-N 2.99Å; S91-G95 PolarHBondContact O-N 2.83Å |
| 92 | I | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 177 | -63.6 | 166.3 | 0 | 0 | 0 | 110.1 | Y36 D39 V40 L43 M60 L71 Q88 Q89 S94 G95 V96 | Y36-I92 HydrophobicContact CD1-CD1 3.99Å; Y36-I92 HydrophobicContact CG-CD1 4.28Å; D39-I92 HydrophobicContact CB-CD1 4.41Å; V40-I92 HydrophobicContact CG2-CG2 3.77Å; L43-I92 HydrophobicContact CD1-CB 4.49Å; L43-I92 HydrophobicContact CD1-CG2 3.69Å; M60-I92 HydrophobicContact CE-CD1 4.2Å; M60-I92 HydrophobicContact CE-CG1 3.87Å; L71-I92 HydrophobicContact CD1-CD1 4.03Å; L71-I92 HydrophobicContact CD1-CG1 4.14Å; Q88-I92 WeakPolarHBondContact O-CG1 3.29Å; Q88-I92 PolarHBondContact O-N 3.1Å; Q89-I92 PolarHBondContact O-N 3.41Å; Q89-I92 VanDerWaalsContact O-N 3.16Å; I92-S94 PolarHBondContact O-N 3.24Å; I92-G95 PolarHBondContact O-N 2.9Å; I92-V96 HydrophobicContact CG2-CG2 4.05Å; I92-V96 WeakPolarHBondContact O-CB 3.44Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 2.87Å |
| 93 | E | 94.5 | Very high | 91.9 | Very high | 93 Ų | 93 | 47.5 Ų | 47.5 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -47.6 | 178.5 | -73.2 | 174.3 | -168.7 | 0 | 0 | 112.2 | L43 Q89 K97 | L43-E93 HydrophobicContact CD1-CB 4.44Å; L43-E93 HydrophobicContact CD1-CG 3.61Å; L43-E93 HydrophobicContact CD2-CG 3.92Å; L43-E93 HydrophobicContact CG-CG 4.45Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.37Å; Q89-E93 PolarHBondContact NE2-OE1 3.03Å; Q89-E93 WeakPolarHBondContact O-CG 3.39Å; Q89-E93 PolarHBondContact O-N 3.32Å; E93-K97 VanDerWaalsContact O-CB 3.32Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 PolarHBondContact O-N 3.41Å; E93-K97 VanDerWaalsContact O-N 3.1Å |
| 94 | S | 94.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | S74 E90 I92 K97 H98 | S74-S94 VanDerWaalsContact OG-CB 3.31Å; S74-S94 WeakPolarHBondContact OG-CB 3.36Å; S74-S94 PolarHBondContact OG-OG 3.15Å; E90-S94 VanDerWaalsContact O-CB 3.24Å; E90-S94 WeakPolarHBondContact O-CB 3.2Å; E90-S94 PolarHBondContact O-N 3.49Å; I92-S94 PolarHBondContact O-N 3.24Å; S94-K97 PolarHBondContact O-N 2.94Å; S94-H98 WeakPolarHBondContact O-CB 3.47Å; S94-H98 PolarHBondContact O-N 2.93Å |
| 95 | G | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S91 I92 K97 H98 F99 | S91-G95 PolarHBondContact O-N 2.83Å; I92-G95 PolarHBondContact O-N 2.9Å; G95-K97 VanDerWaalsContact C-N 3.31Å; G95-K97 PolarHBondContact O-N 3.06Å; G95-H98 PolarHBondContact O-N 3.49Å; G95-F99 PolarHBondContact O-N 3.1Å |
| 96 | V | 96.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.5 | -44.8 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V40 L43 A47 I56 I92 F99 A100 | V40-V96 HydrophobicContact CG1-CG2 4.37Å; L43-V96 HydrophobicContact CB-CB 4.26Å; L43-V96 HydrophobicContact CB-CG1 3.95Å; L43-V96 HydrophobicContact CB-CG2 4.05Å; A47-V96 HydrophobicContact CB-CG1 4.13Å; I56-V96 HydrophobicContact CD1-CG1 4.48Å; I56-V96 HydrophobicContact CD1-CG2 4.48Å; I56-V96 HydrophobicContact CG2-CG2 3.98Å; I92-V96 HydrophobicContact CG2-CG2 4.05Å; I92-V96 WeakPolarHBondContact O-CB 3.44Å; I92-V96 VanDerWaalsContact O-CG2 3.24Å; I92-V96 WeakPolarHBondContact O-CG2 3.33Å; I92-V96 PolarHBondContact O-N 2.87Å; V96-F99 PolarHBondContact O-N 2.88Å; V96-A100 VanDerWaalsContact O-CB 3.26Å; V96-A100 WeakPolarHBondContact O-CB 3.48Å; V96-A100 PolarHBondContact O-N 3.48Å |
| 97 | K | 95.5 | Very high | 94.8 | Very high | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.5 | -46.1 | 176.8 | -175.6 | -176.2 | 174.4 | -170.2 | 0 | 112.3 | E93 S94 G95 A100 E101 | E93-K97 VanDerWaalsContact O-CB 3.32Å; E93-K97 WeakPolarHBondContact O-CB 3.46Å; E93-K97 PolarHBondContact O-N 3.41Å; E93-K97 VanDerWaalsContact O-N 3.1Å; S94-K97 PolarHBondContact O-N 2.94Å; G95-K97 VanDerWaalsContact C-N 3.31Å; G95-K97 PolarHBondContact O-N 3.06Å; K97-A100 PolarHBondContact O-N 3.45Å; K97-E101 PolarHBondContact O-N 2.99Å |
| 98 | H | 95 | Very high | 95.2 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 179.5 | -172.7 | 57.3 | 0 | 0 | 0 | 112.4 | S77 S94 G95 S102 Y120 | S77-H98 PolarHBondContact OG-CD2 2.92Å; S77-H98 PolarHBondContact OG-CE1 2.88Å; S77-H98 PolarHBondContact OG-ND1 2.97Å; S77-H98 PolarHBondContact OG-NE2 3.37Å; S94-H98 WeakPolarHBondContact O-CB 3.47Å; S94-H98 PolarHBondContact O-N 2.93Å; G95-H98 PolarHBondContact O-N 3.49Å; H98-S102 PolarHBondContact O-N 2.88Å; H98-S102 VanDerWaalsContact O-N 3.13Å; H98-S102 PolarHBondContact O-OG 2.7Å; H98-Y120 HydrophobicContact CB-CE2 4.05Å; H98-Y120 AromaticContact CD2-CD2 3.45Å; H98-Y120 VanDerWaalsContact CD2-CD2 3.45Å; H98-Y120 WeakPolarHBondContact CD2-CD2 3.29Å; H98-Y120 AromaticContact CD2-CE2 3.47Å; H98-Y120 VanDerWaalsContact CD2-CE2 3.47Å; H98-Y120 WeakPolarHBondContact CD2-CE2 3.24Å; H98-Y120 AromaticContact CD2-CG 3.84Å; H98-Y120 AromaticContact CD2-CZ 3.84Å; H98-Y120 PolarHBondContact NE2-O 3.41Å |
| 99 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -44.9 | 172.5 | 177 | -102.3 | 0 | 0 | 0 | 112.2 | V49 Y52 V55 I56 I59 G95 V96 E101 S102 Y103 L113 I117 Y120 | V49-F99 HydrophobicContact CG2-CD1 4.43Å; Y52-F99 HydrophobicContact CG-CE1 4.42Å; V55-F99 HydrophobicContact CB-CZ 4.35Å; V55-F99 HydrophobicContact CG1-CE2 3.88Å; V55-F99 HydrophobicContact CG1-CZ 3.82Å; I56-F99 HydrophobicContact CD1-CD1 3.81Å; I56-F99 HydrophobicContact CD1-CE1 4.27Å; I56-F99 HydrophobicContact CG1-CB 4.49Å; I56-F99 HydrophobicContact CG1-CD1 3.49Å; I56-F99 VanDerWaalsContact CG1-CD1 3.49Å; I56-F99 HydrophobicContact CG1-CE1 3.91Å; I56-F99 HydrophobicContact CG1-CG 4.05Å; I59-F99 HydrophobicContact CD1-CB 4.38Å; I59-F99 HydrophobicContact CD1-CD2 3.57Å; I59-F99 HydrophobicContact CD1-CE2 4.18Å; I59-F99 HydrophobicContact CD1-CG 4.14Å; G95-F99 PolarHBondContact O-N 3.1Å; V96-F99 PolarHBondContact O-N 2.88Å; F99-E101 VanDerWaalsContact C-N 3.28Å; F99-E101 PolarHBondContact O-N 2.88Å; F99-S102 PolarHBondContact O-N 3.41Å; F99-Y103 WeakPolarHBondContact O-CB 3.22Å; F99-Y103 PolarHBondContact O-N 3.16Å; F99-L113 HydrophobicContact CZ-CD1 4.17Å; F99-I117 HydrophobicContact CE2-CG1 3.98Å; F99-Y120 HydrophobicContact CB-CD2 3.94Å; F99-Y120 HydrophobicContact CB-CE2 4.14Å |
| 100 | A | 96.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -34 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A47 V49 V96 K97 K104 | A47-A100 HydrophobicContact CB-CB 3.77Å; V49-A100 HydrophobicContact CG1-CB 4.07Å; V49-A100 HydrophobicContact CG2-CB 3.84Å; V96-A100 VanDerWaalsContact O-CB 3.26Å; V96-A100 WeakPolarHBondContact O-CB 3.48Å; V96-A100 PolarHBondContact O-N 3.48Å; K97-A100 PolarHBondContact O-N 3.45Å; A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 WeakPolarHBondContact O-CD 3.45Å; A100-K104 WeakPolarHBondContact O-CG 3.36Å; A100-K104 PolarHBondContact O-N 3.17Å |
| 101 | E | 96 | Very high | 95.9 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.5 | -49.6 | 172.5 | -178.4 | 163.7 | -179.5 | 0 | 0 | 111.7 | K97 F99 Y103 K104 Q105 | K97-E101 PolarHBondContact O-N 2.99Å; F99-E101 VanDerWaalsContact C-N 3.28Å; F99-E101 PolarHBondContact O-N 2.88Å; E101-Y103 VanDerWaalsContact C-N 3.32Å; E101-Y103 PolarHBondContact O-N 3.31Å; E101-K104 PolarHBondContact O-N 3.48Å; E101-Q105 WeakPolarHBondContact O-CG 3.19Å; E101-Q105 PolarHBondContact O-N 3.36Å; E101-Q105 PolarHBondContact OE1-NE2 2.96Å; E101-Q105 VanDerWaalsContact OE1-NE2 3.09Å |
| 102 | S | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 175 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | H98 F99 Q105 A106 A116 I127 | H98-S102 PolarHBondContact O-N 2.88Å; H98-S102 VanDerWaalsContact O-N 3.13Å; H98-S102 PolarHBondContact O-OG 2.7Å; F99-S102 PolarHBondContact O-N 3.41Å; S102-Q105 PolarHBondContact O-N 3.34Å; S102-A106 WeakPolarHBondContact O-CB 3.28Å; S102-A106 PolarHBondContact O-N 3.45Å; S102-A116 WeakPolarHBondContact CB-O 3.35Å; S102-I127 WeakPolarHBondContact O-CD1 3.48Å |
| 103 | Y | 97.7 | Very high | 95.9 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64 | -45 | 176.2 | 174.8 | -98 | 0 | 0 | 0 | 112.7 | V49 Y52 F99 E101 Q105 A106 K107 L113 | V49-Y103 HydrophobicContact CG1-CD1 3.55Å; V49-Y103 HydrophobicContact CG1-CE1 4.15Å; V49-Y103 HydrophobicContact CG1-CG 4.11Å; Y52-Y103 HydrophobicContact CD2-CD2 4.47Å; Y52-Y103 HydrophobicContact CD2-CE2 4.19Å; Y52-Y103 HydrophobicContact CE1-CE2 4.33Å; Y52-Y103 HydrophobicContact CE2-CD2 4.09Å; Y52-Y103 AromaticContact CE2-CE1 3.94Å; Y52-Y103 HydrophobicContact CE2-CE1 3.94Å; Y52-Y103 AromaticContact CE2-CE2 3.39Å; Y52-Y103 HydrophobicContact CE2-CE2 3.39Å; Y52-Y103 AromaticContact CE2-CZ 3.29Å; Y52-Y103 WeakPolarHBondContact CE2-OH 3.42Å; Y52-Y103 AromaticContact CZ-CE2 3.46Å; Y52-Y103 VanDerWaalsContact CZ-CE2 3.46Å; Y52-Y103 AromaticContact CZ-CZ 3.67Å; Y52-Y103 WeakPolarHBondContact OH-CE2 3.35Å; Y52-Y103 PolarHBondContact OH-OH 2.7Å; F99-Y103 WeakPolarHBondContact O-CB 3.22Å; F99-Y103 PolarHBondContact O-N 3.16Å; E101-Y103 VanDerWaalsContact C-N 3.32Å; E101-Y103 PolarHBondContact O-N 3.31Å; Y103-Q105 VanDerWaalsContact C-N 3.33Å; Y103-Q105 PolarHBondContact O-N 3.42Å; Y103-A106 PolarHBondContact O-N 2.68Å; Y103-K107 HydrophobicContact CE1-CD 3.84Å; Y103-K107 VanDerWaalsContact O-CB 3.26Å; Y103-K107 WeakPolarHBondContact O-CB 3.45Å; Y103-K107 PolarHBondContact O-N 3.07Å; Y103-K107 PolarHBondContact OH-NZ 3.41Å; Y103-L113 HydrophobicContact CD2-CD1 3.97Å; Y103-L113 HydrophobicContact CE2-CD1 4.22Å |
| 104 | K | 96.9 | Very high | 95.9 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 178.3 | -75.6 | 166.3 | -171.6 | 171 | 0 | 111.6 | A47 A100 E101 A108 | A47-K104 VanDerWaalsContact O-CE 3.29Å; A47-K104 WeakPolarHBondContact O-CE 3.25Å; A47-K104 PolarHBondContact O-NZ 2.97Å; A100-K104 WeakPolarHBondContact O-CB 3.45Å; A100-K104 WeakPolarHBondContact O-CD 3.45Å; A100-K104 WeakPolarHBondContact O-CG 3.36Å; A100-K104 PolarHBondContact O-N 3.17Å; E101-K104 PolarHBondContact O-N 3.48Å; K104-A108 VanDerWaalsContact O-CB 3.31Å; K104-A108 WeakPolarHBondContact O-CB 3.46Å; K104-A108 PolarHBondContact O-N 3.3Å |
| 105 | Q | 97.3 | Very high | 96.1 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.5 | -45 | 176.7 | -68.2 | -174.4 | 34.5 | 0 | 0 | 111.9 | E101 S102 Y103 K107 A108 A109 T124 I127 | E101-Q105 WeakPolarHBondContact O-CG 3.19Å; E101-Q105 PolarHBondContact O-N 3.36Å; E101-Q105 PolarHBondContact OE1-NE2 2.96Å; E101-Q105 VanDerWaalsContact OE1-NE2 3.09Å; S102-Q105 PolarHBondContact O-N 3.34Å; Y103-Q105 VanDerWaalsContact C-N 3.33Å; Y103-Q105 PolarHBondContact O-N 3.42Å; Q105-K107 PolarHBondContact O-N 3.4Å; Q105-A108 PolarHBondContact O-N 3.12Å; Q105-A109 WeakPolarHBondContact O-CB 3.31Å; Q105-A109 PolarHBondContact O-N 3.4Å; Q105-T124 VanDerWaalsContact OE1-CB 3.26Å; Q105-I127 HydrophobicContact CB-CD1 3.57Å |
| 106 | A | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S102 Y103 A108 A109 G110 C111 A116 I127 | S102-A106 WeakPolarHBondContact O-CB 3.28Å; S102-A106 PolarHBondContact O-N 3.45Å; Y103-A106 PolarHBondContact O-N 2.68Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.3Å; A106-A109 CarbonylContact O-C 3.56Å; A106-A109 PolarHBondContact O-N 2.98Å; A106-A109 VanDerWaalsContact O-N 3.15Å; A106-G110 PolarHBondContact O-N 3.02Å; A106-G110 VanDerWaalsContact O-N 3.1Å; A106-C111 HydrophobicContact CB-CB 4.2Å; A106-C111 PolarHBondContact O-N 3.25Å; A106-A116 HydrophobicContact CB-CB 3.81Å; A106-I127 HydrophobicContact CB-CD1 4.36Å; A106-I127 HydrophobicContact CB-CG2 4.21Å |
| 107 | K | 95.6 | Very high | 96.2 | Very high | 136 Ų | 136 | 45.3 Ų | 45.3 | 59% | 0.591 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.6 | -39.5 | 176.6 | -170.4 | 174.7 | -166.9 | 163 | 0 | 112.4 | Y103 Q105 G110 | Y103-K107 HydrophobicContact CE1-CD 3.84Å; Y103-K107 VanDerWaalsContact O-CB 3.26Å; Y103-K107 WeakPolarHBondContact O-CB 3.45Å; Y103-K107 PolarHBondContact O-N 3.07Å; Y103-K107 PolarHBondContact OH-NZ 3.41Å; Q105-K107 PolarHBondContact O-N 3.4Å; K107-G110 PolarHBondContact O-N 3.45Å |
| 108 | A | 95.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 38.4 Ų | 38.4 | 74% | 0.744 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -69.4 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K104 Q105 A106 G110 | K104-A108 VanDerWaalsContact O-CB 3.31Å; K104-A108 WeakPolarHBondContact O-CB 3.46Å; K104-A108 PolarHBondContact O-N 3.3Å; Q105-A108 PolarHBondContact O-N 3.12Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.3Å; A108-G110 VanDerWaalsContact C-N 3.26Å; A108-G110 PolarHBondContact O-N 3.49Å |
| 109 | A | 96 | Very high | 96.3 | Very high | 21 Ų | 21 | 37 Ų | 37 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76 | -9.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q105 A106 C111 I127 Q131 | Q105-A109 WeakPolarHBondContact O-CB 3.31Å; Q105-A109 PolarHBondContact O-N 3.4Å; A106-A109 CarbonylContact O-C 3.56Å; A106-A109 PolarHBondContact O-N 2.98Å; A106-A109 VanDerWaalsContact O-N 3.15Å; A109-C111 VanDerWaalsContact C-N 3.33Å; A109-I127 HydrophobicContact CB-CG2 3.75Å; A109-Q131 HydrophobicContact CB-CB 4.35Å; A109-Q131 HydrophobicContact CB-CG 4.3Å; A109-Q131 PolarHBondContact O-NE2 3.48Å |
| 110 | G | 94.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 37.7 Ų | 37.7 | 64% | 0.639 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 18 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | A106 K107 A108 | A106-G110 PolarHBondContact O-N 3.02Å; A106-G110 VanDerWaalsContact O-N 3.1Å; K107-G110 PolarHBondContact O-N 3.45Å; A108-G110 VanDerWaalsContact C-N 3.26Å; A108-G110 PolarHBondContact O-N 3.49Å |
| 111 | C | 95.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 40.1 Ų | 40.1 | 10% | 0.101 | 23% | 0.225 | C | C | . | . | trans | -86.4 | 161.5 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | A106 A109 T115 G135 | A106-C111 HydrophobicContact CB-CB 4.2Å; A106-C111 PolarHBondContact O-N 3.25Å; A109-C111 VanDerWaalsContact C-N 3.33Å; C111-T115 HydrophobicContact CB-CG2 3.79Å; C111-G135 VanDerWaalsContact CA-O 3.29Å; C111-G135 WeakPolarHBondContact CA-O 3.27Å | ||
| 112 | D | 94.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | trans | -74.4 | 171.6 | 176.8 | 63.3 | 19.9 | 0 | 0 | 0 | 114.5 | D114 T115 G135 K136 N137 | D112-D114 VanDerWaalsContact C-N 3.31Å; D112-D114 PolarHBondContact O-N 3.05Å; D112-D114 PolarHBondContact OD1-N 3.22Å; D112-T115 WeakPolarHBondContact O-CB 3.39Å; D112-T115 PolarHBondContact O-N 3.38Å; D112-T115 WeakPolarHBondContact OD1-CB 3.17Å; D112-T115 PolarHBondContact OD1-N 2.97Å; D112-T115 PolarHBondContact OD1-OG1 3.11Å; D112-G135 PolarHBondContact N-O 3.27Å; D112-K136 VanDerWaalsContact OD2-CA 3.24Å; D112-K136 WeakPolarHBondContact OD2-CA 3.36Å; D112-N137 PolarHBondContact OD1-N 3.09Å; D112-N137 PolarHBondContact OD2-N 3.28Å | ||
| 113 | L | 95.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -36.1 | 177.9 | 177.7 | 64.1 | 0 | 0 | 0 | 112.1 | Y52 V55 F99 Y103 T115 A116 I117 | Y52-L113 HydrophobicContact CD1-CD1 3.84Å; Y52-L113 HydrophobicContact CD1-CD2 3.94Å; Y52-L113 HydrophobicContact CE1-CD1 3.82Å; Y52-L113 HydrophobicContact CE1-CD2 3.82Å; Y52-L113 HydrophobicContact CE1-CG 4.44Å; Y52-L113 HydrophobicContact CG-CD1 4.48Å; V55-L113 HydrophobicContact CG2-CD2 4.32Å; F99-L113 HydrophobicContact CZ-CD1 4.17Å; Y103-L113 HydrophobicContact CD2-CD1 3.97Å; Y103-L113 HydrophobicContact CE2-CD1 4.22Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.39Å; L113-A116 WeakPolarHBondContact O-CB 3.34Å; L113-A116 PolarHBondContact O-N 2.92Å; L113-I117 HydrophobicContact CG-CD1 4.08Å; L113-I117 HydrophobicContact CG-CG1 4.5Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.9Å |
| 114 | D | 95.5 | Very high | 95.7 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -30.8 | -179.3 | -71.6 | -17.9 | 0 | 0 | 0 | 111.4 | D112 A116 I117 Q118 N137 A187 Q191 | D112-D114 VanDerWaalsContact C-N 3.31Å; D112-D114 PolarHBondContact O-N 3.05Å; D112-D114 PolarHBondContact OD1-N 3.22Å; D114-A116 VanDerWaalsContact C-N 3.35Å; D114-A116 PolarHBondContact O-N 3.07Å; D114-I117 PolarHBondContact O-N 3.5Å; D114-Q118 VanDerWaalsContact O-CB 3.31Å; D114-Q118 WeakPolarHBondContact O-CB 3.22Å; D114-Q118 PolarHBondContact O-N 2.57Å; D114-N137 HydrophobicContact CB-CB 3.88Å; D114-A187 HydrophobicContact CB-CB 4Å; D114-Q191 PolarHBondContact OD1-NE2 3.06Å |
| 115 | T | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 167.9 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | C111 D112 L113 Q118 A119 I127 V130 | C111-T115 HydrophobicContact CB-CG2 3.79Å; D112-T115 WeakPolarHBondContact O-CB 3.39Å; D112-T115 PolarHBondContact O-N 3.38Å; D112-T115 WeakPolarHBondContact OD1-CB 3.17Å; D112-T115 PolarHBondContact OD1-N 2.97Å; D112-T115 PolarHBondContact OD1-OG1 3.11Å; L113-T115 VanDerWaalsContact C-N 3.27Å; L113-T115 PolarHBondContact O-N 3.39Å; T115-Q118 PolarHBondContact O-N 3.09Å; T115-A119 WeakPolarHBondContact O-CB 3.34Å; T115-A119 PolarHBondContact O-N 2.85Å; T115-I127 HydrophobicContact CG2-CB 4.41Å; T115-I127 HydrophobicContact CG2-CG1 4.21Å; T115-I127 HydrophobicContact CG2-CG2 4.4Å; T115-V130 HydrophobicContact CG2-CB 3.84Å; T115-V130 HydrophobicContact CG2-CG1 4.1Å; T115-V130 HydrophobicContact CG2-CG2 3.93Å; T115-V130 WeakPolarHBondContact OG1-CG1 3.43Å |
| 116 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S102 A106 L113 D114 Y120 | S102-A116 WeakPolarHBondContact CB-O 3.35Å; A106-A116 HydrophobicContact CB-CB 3.81Å; L113-A116 WeakPolarHBondContact O-CB 3.34Å; L113-A116 PolarHBondContact O-N 2.92Å; D114-A116 VanDerWaalsContact C-N 3.35Å; D114-A116 PolarHBondContact O-N 3.07Å; A116-Y120 PolarHBondContact O-N 3.47Å |
| 117 | I | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -47.9 | 176.1 | -62.1 | 167.1 | 0 | 0 | 0 | 110.3 | V55 F99 L113 D114 A119 Y120 Y186 A187 V190 Q191 | V55-I117 HydrophobicContact CG1-CD1 3.5Å; V55-I117 VanDerWaalsContact CG1-CD1 3.5Å; V55-I117 HydrophobicContact CG1-CG1 3.58Å; F99-I117 HydrophobicContact CE2-CG1 3.98Å; L113-I117 HydrophobicContact CG-CD1 4.08Å; L113-I117 HydrophobicContact CG-CG1 4.5Å; L113-I117 WeakPolarHBondContact O-CG1 3.31Å; L113-I117 PolarHBondContact O-N 2.9Å; D114-I117 PolarHBondContact O-N 3.5Å; I117-A119 VanDerWaalsContact C-N 3.3Å; I117-A119 PolarHBondContact O-N 3.02Å; I117-Y120 WeakPolarHBondContact O-CB 3.39Å; I117-Y120 PolarHBondContact O-N 3.08Å; I117-Y186 HydrophobicContact CG2-CD1 4Å; I117-Y186 HydrophobicContact CG2-CE1 4.11Å; I117-Y186 VanDerWaalsContact O-CD1 3.32Å; I117-Y186 WeakPolarHBondContact O-CD1 3.48Å; I117-Y186 WeakPolarHBondContact O-CE1 3.5Å; I117-A187 HydrophobicContact CB-CB 4.36Å; I117-A187 HydrophobicContact CG2-CB 4.26Å; I117-V190 HydrophobicContact CD1-CG1 4.27Å; I117-V190 HydrophobicContact CG2-CB 3.65Å; I117-V190 HydrophobicContact CG2-CG1 3.68Å; I117-V190 HydrophobicContact CG2-CG2 3.82Å; I117-Q191 HydrophobicContact CD1-CG 4.44Å |
| 118 | Q | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 178.7 | -168.2 | 60.7 | 39.9 | 0 | 0 | 111.6 | D114 T115 Y120 N121 F122 Y126 N137 A142 N183 A187 | D114-Q118 VanDerWaalsContact O-CB 3.31Å; D114-Q118 WeakPolarHBondContact O-CB 3.22Å; D114-Q118 PolarHBondContact O-N 2.57Å; T115-Q118 PolarHBondContact O-N 3.09Å; Q118-Y120 PolarHBondContact O-N 3.45Å; Q118-N121 PolarHBondContact O-N 2.77Å; Q118-N121 VanDerWaalsContact O-N 3.09Å; Q118-F122 HydrophobicContact CG-CD2 3.85Å; Q118-F122 HydrophobicContact CG-CE2 4.04Å; Q118-F122 HydrophobicContact CG-CG 4.42Å; Q118-F122 VanDerWaalsContact NE2-CE2 3.33Å; Q118-F122 VanDerWaalsContact NE2-CZ 3.26Å; Q118-F122 PolarHBondContact O-N 2.87Å; Q118-Y126 HydrophobicContact CB-CD1 3.98Å; Q118-Y126 HydrophobicContact CB-CE1 3.67Å; Q118-Y126 HydrophobicContact CG-CD1 3.8Å; Q118-Y126 HydrophobicContact CG-CE1 3.35Å; Q118-N137 WeakPolarHBondContact CB-OD1 3.31Å; Q118-A142 HydrophobicContact CG-CB 4.4Å; Q118-N183 PolarHBondContact NE2-O 2.97Å; Q118-A187 HydrophobicContact CB-CB 4.29Å |
| 119 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -20 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T115 I117 N121 G123 I127 | T115-A119 WeakPolarHBondContact O-CB 3.34Å; T115-A119 PolarHBondContact O-N 2.85Å; I117-A119 VanDerWaalsContact C-N 3.3Å; I117-A119 PolarHBondContact O-N 3.02Å; A119-N121 VanDerWaalsContact C-N 3.27Å; A119-N121 PolarHBondContact O-N 3.18Å; A119-G123 CarbonylContact O-C 3.54Å; A119-G123 VanDerWaalsContact O-C 3.29Å; A119-G123 WeakPolarHBondContact O-CA 3.07Å; A119-G123 PolarHBondContact O-N 3.47Å; A119-I127 HydrophobicContact CB-CD1 3.92Å; A119-I127 HydrophobicContact CB-CG1 3.61Å |
| 120 | Y | 95.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 169 | -169.6 | -81.3 | 0 | 0 | 0 | 110.8 | I59 M72 H98 F99 A116 I117 Q118 Y186 | I59-Y120 HydrophobicContact CD1-CD2 3.94Å; I59-Y120 HydrophobicContact CD1-CE2 4.34Å; I59-Y120 HydrophobicContact CD1-CG 4.13Å; I59-Y120 HydrophobicContact CG2-CD1 4.08Å; I59-Y120 HydrophobicContact CG2-CD2 4.49Å; I59-Y120 HydrophobicContact CG2-CE1 3.65Å; I59-Y120 HydrophobicContact CG2-CE2 4.08Å; I59-Y120 HydrophobicContact CG2-CG 4.5Å; M72-Y120 PolarHBondContact O-OH 2.94Å; H98-Y120 HydrophobicContact CB-CE2 4.05Å; H98-Y120 AromaticContact CD2-CD2 3.45Å; H98-Y120 VanDerWaalsContact CD2-CD2 3.45Å; H98-Y120 WeakPolarHBondContact CD2-CD2 3.29Å; H98-Y120 AromaticContact CD2-CE2 3.47Å; H98-Y120 VanDerWaalsContact CD2-CE2 3.47Å; H98-Y120 WeakPolarHBondContact CD2-CE2 3.24Å; H98-Y120 AromaticContact CD2-CG 3.84Å; H98-Y120 AromaticContact CD2-CZ 3.84Å; H98-Y120 PolarHBondContact NE2-O 3.41Å; F99-Y120 HydrophobicContact CB-CD2 3.94Å; F99-Y120 HydrophobicContact CB-CE2 4.14Å; A116-Y120 PolarHBondContact O-N 3.47Å; I117-Y120 WeakPolarHBondContact O-CB 3.39Å; I117-Y120 PolarHBondContact O-N 3.08Å; Q118-Y120 PolarHBondContact O-N 3.45Å; Y120-Y186 HydrophobicContact CD1-CE1 4.23Å; Y120-Y186 VanDerWaalsContact CD1-OH 3.29Å; Y120-Y186 WeakPolarHBondContact CD1-OH 3.4Å |
| 121 | N | 94.5 | Very high | 95.8 | Very high | 53 Ų | 53 | 35 Ų | 35 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -85.1 | -41.8 | 179.9 | -173.4 | -102.8 | 0 | 0 | 0 | 113.7 | Q118 A119 N183 Y186 | Q118-N121 PolarHBondContact O-N 2.77Å; Q118-N121 VanDerWaalsContact O-N 3.09Å; A119-N121 VanDerWaalsContact C-N 3.27Å; A119-N121 PolarHBondContact O-N 3.18Å; N121-N183 PolarHBondContact OD1-N 3.23Å; N121-Y186 HydrophobicContact CB-CD1 3.7Å; N121-Y186 HydrophobicContact CB-CD2 3.78Å; N121-Y186 HydrophobicContact CB-CE1 4.05Å; N121-Y186 HydrophobicContact CB-CE2 4.12Å; N121-Y186 HydrophobicContact CB-CG 3.54Å |
| 122 | F | 94.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -88.5 | -12 | -176.8 | -75.2 | -4.9 | 0 | 0 | 0 | 114.3 | Q118 Y126 A142 Y145 L150 G181 M184 | Q118-F122 HydrophobicContact CG-CD2 3.85Å; Q118-F122 HydrophobicContact CG-CE2 4.04Å; Q118-F122 HydrophobicContact CG-CG 4.42Å; Q118-F122 VanDerWaalsContact NE2-CE2 3.33Å; Q118-F122 VanDerWaalsContact NE2-CZ 3.26Å; Q118-F122 PolarHBondContact O-N 2.87Å; F122-Y126 HydrophobicContact CB-CG 4.22Å; F122-Y126 HydrophobicContact CD2-CD1 4.09Å; F122-Y126 AromaticContact CD2-CD2 3.68Å; F122-Y126 HydrophobicContact CD2-CD2 3.68Å; F122-Y126 HydrophobicContact CD2-CE1 4.35Å; F122-Y126 AromaticContact CD2-CE2 3.95Å; F122-Y126 HydrophobicContact CD2-CE2 3.95Å; F122-Y126 AromaticContact CD2-CG 3.75Å; F122-Y126 HydrophobicContact CD2-CG 3.75Å; F122-Y126 HydrophobicContact CE2-CD2 4.31Å; F122-Y126 HydrophobicContact CE2-CE2 4.15Å; F122-A142 HydrophobicContact CE2-CB 3.92Å; F122-A142 WeakPolarHBondContact CE2-O 3.36Å; F122-A142 HydrophobicContact CZ-CB 4.35Å; F122-Y145 HydrophobicContact CB-CD1 4.44Å; F122-Y145 HydrophobicContact CB-CE1 4.18Å; F122-Y145 AromaticContact CD2-CD1 3.58Å; F122-Y145 HydrophobicContact CD2-CD1 3.58Å; F122-Y145 HydrophobicContact CD2-CE1 4.15Å; F122-Y145 AromaticContact CE2-CD1 3.95Å; F122-Y145 HydrophobicContact CE2-CD1 3.95Å; F122-Y145 HydrophobicContact CG-CD1 4.19Å; F122-Y145 HydrophobicContact CG-CE1 4.41Å; F122-L150 HydrophobicContact CB-CD1 4Å; F122-L150 HydrophobicContact CD1-CD1 3.41Å; F122-L150 VanDerWaalsContact CD1-CD1 3.41Å; F122-L150 HydrophobicContact CD2-CD1 4.11Å; F122-L150 HydrophobicContact CE1-CD1 3.75Å; F122-L150 HydrophobicContact CE2-CD1 4.4Å; F122-L150 HydrophobicContact CG-CD1 3.6Å; F122-L150 HydrophobicContact CZ-CD1 4.22Å; F122-G181 VanDerWaalsContact CE1-O 3.31Å; F122-G181 WeakPolarHBondContact CE1-O 3.42Å; F122-M184 HydrophobicContact CZ-CB 4.14Å |
| 123 | G | 92.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 27% | 0.268 | 21% | 0.209 | S | C | . | . | trans | 80.5 | 160.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A119 K125 Y126 | A119-G123 CarbonylContact O-C 3.54Å; A119-G123 VanDerWaalsContact O-C 3.29Å; A119-G123 WeakPolarHBondContact O-CA 3.07Å; A119-G123 PolarHBondContact O-N 3.47Å; G123-K125 PolarHBondContact O-N 2.94Å; G123-K125 VanDerWaalsContact O-N 3.09Å; G123-Y126 WeakPolarHBondContact O-CB 3.49Å; G123-Y126 PolarHBondContact O-N 3.23Å; G123-Y126 VanDerWaalsContact O-N 3.09Å | ||
| 124 | T | 92.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 29% | 0.288 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.1 | -170.9 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | Q105 Y126 I127 | Q105-T124 VanDerWaalsContact OE1-CB 3.26Å; T124-Y126 PolarHBondContact O-N 3.18Å; T124-Y126 VanDerWaalsContact O-N 3.17Å; T124-I127 HydrophobicContact CG2-CD1 4.21Å; T124-I127 VanDerWaalsContact O-CB 3.26Å; T124-I127 WeakPolarHBondContact O-CB 3.42Å; T124-I127 WeakPolarHBondContact O-CG1 3.46Å; T124-I127 PolarHBondContact O-N 3.06Å |
| 125 | K | 94.4 | Very high | 95.3 | Very high | 165 Ų | 165 | 42 Ų | 42 | 72% | 0.717 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -58.6 | -25.3 | 172.1 | -71.7 | -176.1 | 178.1 | 178.4 | 0 | 113.1 | G123 I127 Q128 Y129 Y145 | G123-K125 PolarHBondContact O-N 2.94Å; G123-K125 VanDerWaalsContact O-N 3.09Å; K125-I127 PolarHBondContact O-N 3.36Å; K125-Q128 PolarHBondContact O-N 2.95Å; K125-Y129 PolarHBondContact O-N 2.98Å; K125-Y145 WeakPolarHBondContact CB-OH 3.35Å |
| 126 | Y | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -30.6 | 174.5 | -176 | -118.5 | 0 | 0 | 0 | 112.5 | Q118 F122 G123 T124 Q128 Y129 V130 N137 A142 Y145 | Q118-Y126 HydrophobicContact CB-CD1 3.98Å; Q118-Y126 HydrophobicContact CB-CE1 3.67Å; Q118-Y126 HydrophobicContact CG-CD1 3.8Å; Q118-Y126 HydrophobicContact CG-CE1 3.35Å; F122-Y126 HydrophobicContact CB-CG 4.22Å; F122-Y126 HydrophobicContact CD2-CD1 4.09Å; F122-Y126 AromaticContact CD2-CD2 3.68Å; F122-Y126 HydrophobicContact CD2-CD2 3.68Å; F122-Y126 HydrophobicContact CD2-CE1 4.35Å; F122-Y126 AromaticContact CD2-CE2 3.95Å; F122-Y126 HydrophobicContact CD2-CE2 3.95Å; F122-Y126 AromaticContact CD2-CG 3.75Å; F122-Y126 HydrophobicContact CD2-CG 3.75Å; F122-Y126 HydrophobicContact CE2-CD2 4.31Å; F122-Y126 HydrophobicContact CE2-CE2 4.15Å; G123-Y126 WeakPolarHBondContact O-CB 3.49Å; G123-Y126 PolarHBondContact O-N 3.23Å; G123-Y126 VanDerWaalsContact O-N 3.09Å; T124-Y126 PolarHBondContact O-N 3.18Å; T124-Y126 VanDerWaalsContact O-N 3.17Å; Y126-Q128 PolarHBondContact O-N 3.17Å; Y126-Y129 HydrophobicContact CD2-CD1 4.23Å; Y126-Y129 AromaticContact CE2-CD1 4Å; Y126-Y129 HydrophobicContact CE2-CD1 4Å; Y126-Y129 WeakPolarHBondContact O-CB 3.38Å; Y126-Y129 PolarHBondContact O-N 2.95Å; Y126-Y129 VanDerWaalsContact O-N 3.12Å; Y126-V130 HydrophobicContact CD1-CG2 3.9Å; Y126-V130 HydrophobicContact CD2-CG2 4.23Å; Y126-V130 HydrophobicContact CE1-CG2 3.36Å; Y126-V130 HydrophobicContact CE2-CG2 3.78Å; Y126-V130 HydrophobicContact CG-CG2 4.3Å; Y126-V130 WeakPolarHBondContact O-CG2 3.49Å; Y126-V130 PolarHBondContact O-N 3.27Å; Y126-N137 WeakPolarHBondContact CE1-OD1 3.34Å; Y126-N137 PolarHBondContact OH-OD1 3.28Å; Y126-A142 WeakPolarHBondContact OH-CA 3.48Å; Y126-A142 PolarHBondContact OH-N 3.4Å; Y126-Y145 AromaticContact CD2-CD1 3.43Å; Y126-Y145 HydrophobicContact CD2-CD1 3.43Å; Y126-Y145 VanDerWaalsContact CD2-CD1 3.43Å; Y126-Y145 AromaticContact CD2-CD2 3.86Å; Y126-Y145 HydrophobicContact CD2-CD2 3.86Å; Y126-Y145 AromaticContact CD2-CE1 3.82Å; Y126-Y145 HydrophobicContact CD2-CE1 3.82Å; Y126-Y145 HydrophobicContact CD2-CE2 4.21Å; Y126-Y145 AromaticContact CD2-CG 3.44Å; Y126-Y145 HydrophobicContact CD2-CG 3.44Å; Y126-Y145 VanDerWaalsContact CD2-CG 3.44Å; Y126-Y145 HydrophobicContact CE2-CD1 4.08Å; Y126-Y145 HydrophobicContact CE2-CD2 4.39Å; Y126-Y145 AromaticContact CE2-CG 3.81Å; Y126-Y145 HydrophobicContact CE2-CG 3.81Å; Y126-Y145 HydrophobicContact CG-CD1 4.27Å; Y126-Y145 HydrophobicContact CG-CE1 4.32Å; Y126-Y145 PolarHBondContact N-OH 3.18Å |
| 127 | I | 97.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | -178.7 | -57.5 | 171.9 | 0 | 0 | 0 | 110.8 | S102 Q105 A106 A109 T115 A119 T124 K125 Y129 V130 Q131 | S102-I127 WeakPolarHBondContact O-CD1 3.48Å; Q105-I127 HydrophobicContact CB-CD1 3.57Å; A106-I127 HydrophobicContact CB-CD1 4.36Å; A106-I127 HydrophobicContact CB-CG2 4.21Å; A109-I127 HydrophobicContact CB-CG2 3.75Å; T115-I127 HydrophobicContact CG2-CB 4.41Å; T115-I127 HydrophobicContact CG2-CG1 4.21Å; T115-I127 HydrophobicContact CG2-CG2 4.4Å; A119-I127 HydrophobicContact CB-CD1 3.92Å; A119-I127 HydrophobicContact CB-CG1 3.61Å; T124-I127 HydrophobicContact CG2-CD1 4.21Å; T124-I127 VanDerWaalsContact O-CB 3.26Å; T124-I127 WeakPolarHBondContact O-CB 3.42Å; T124-I127 WeakPolarHBondContact O-CG1 3.46Å; T124-I127 PolarHBondContact O-N 3.06Å; K125-I127 PolarHBondContact O-N 3.36Å; I127-Y129 VanDerWaalsContact C-N 3.33Å; I127-Y129 PolarHBondContact O-N 3.28Å; I127-V130 PolarHBondContact O-N 2.91Å; I127-Q131 WeakPolarHBondContact O-CB 3.46Å; I127-Q131 PolarHBondContact O-N 3.39Å |
| 128 | Q | 96.1 | Very high | 94.5 | Very high | 114 Ų | 114 | 52.5 Ų | 52.5 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.2 | -176.6 | -176.8 | -18.7 | 0 | 0 | 111.2 | K125 Y126 V130 Q131 E132 | K125-Q128 PolarHBondContact O-N 2.95Å; Y126-Q128 PolarHBondContact O-N 3.17Å; Q128-V130 PolarHBondContact O-N 3.28Å; Q128-Q131 WeakPolarHBondContact O-CB 3.42Å; Q128-Q131 PolarHBondContact O-N 3.24Å; Q128-E132 WeakPolarHBondContact CG-OE1 3.49Å; Q128-E132 PolarHBondContact NE2-OE1 3.4Å; Q128-E132 WeakPolarHBondContact O-CG 3.41Å; Q128-E132 PolarHBondContact O-N 3.2Å |
| 129 | Y | 97 | Very high | 94 | Very high | 38 Ų | 38 | 53 Ų | 53 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 177.5 | -173.6 | -101.7 | 0 | 0 | 0 | 111.6 | K125 Y126 I127 E132 H133 L141 Y145 V149 | K125-Y129 PolarHBondContact O-N 2.98Å; Y126-Y129 HydrophobicContact CD2-CD1 4.23Å; Y126-Y129 AromaticContact CE2-CD1 4Å; Y126-Y129 HydrophobicContact CE2-CD1 4Å; Y126-Y129 WeakPolarHBondContact O-CB 3.38Å; Y126-Y129 PolarHBondContact O-N 2.95Å; Y126-Y129 VanDerWaalsContact O-N 3.12Å; I127-Y129 VanDerWaalsContact C-N 3.33Å; I127-Y129 PolarHBondContact O-N 3.28Å; Y129-E132 PolarHBondContact O-N 3.47Å; Y129-H133 AromaticContact CD2-CE1 3.81Å; Y129-H133 AromaticContact CE2-CE1 3.45Å; Y129-H133 VanDerWaalsContact CE2-CE1 3.45Å; Y129-H133 WeakPolarHBondContact CE2-CE1 3.21Å; Y129-H133 AromaticContact CZ-CE1 3.7Å; Y129-H133 PolarHBondContact O-N 2.91Å; Y129-H133 PolarHBondContact O-ND1 2.79Å; Y129-L141 HydrophobicContact CD1-CD1 4.11Å; Y129-L141 HydrophobicContact CD1-CG 4.32Å; Y129-L141 HydrophobicContact CE1-CD1 3.5Å; Y129-L141 VanDerWaalsContact CE1-CD1 3.5Å; Y129-L141 HydrophobicContact CE1-CG 4.02Å; Y129-Y145 AromaticContact CD1-CD2 3.47Å; Y129-Y145 HydrophobicContact CD1-CD2 3.47Å; Y129-Y145 VanDerWaalsContact CD1-CD2 3.47Å; Y129-Y145 HydrophobicContact CD1-CE2 4.29Å; Y129-Y145 HydrophobicContact CD1-CG 4.08Å; Y129-Y145 AromaticContact CD2-CD2 3.83Å; Y129-Y145 HydrophobicContact CD2-CD2 3.83Å; Y129-Y145 HydrophobicContact CD2-CE2 4.2Å; Y129-Y145 AromaticContact CE1-CD2 3.88Å; Y129-Y145 HydrophobicContact CE1-CD2 3.88Å; Y129-Y145 HydrophobicContact CE1-CG 4.31Å; Y129-Y145 HydrophobicContact CE2-CD2 4.22Å; Y129-Y145 AromaticContact CG-CD2 3.42Å; Y129-Y145 HydrophobicContact CG-CD2 3.42Å; Y129-Y145 VanDerWaalsContact CG-CD2 3.42Å; Y129-Y145 AromaticContact CG-CE2 3.84Å; Y129-Y145 HydrophobicContact CG-CE2 3.84Å; Y129-Y145 HydrophobicContact CG-CG 4.43Å; Y129-V149 HydrophobicContact CE2-CG2 4.46Å |
| 130 | V | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 175.2 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | T115 Y126 I127 Q128 E132 H133 G134 G135 K136 L141 | T115-V130 HydrophobicContact CG2-CB 3.84Å; T115-V130 HydrophobicContact CG2-CG1 4.1Å; T115-V130 HydrophobicContact CG2-CG2 3.93Å; T115-V130 WeakPolarHBondContact OG1-CG1 3.43Å; Y126-V130 HydrophobicContact CD1-CG2 3.9Å; Y126-V130 HydrophobicContact CD2-CG2 4.23Å; Y126-V130 HydrophobicContact CE1-CG2 3.36Å; Y126-V130 HydrophobicContact CE2-CG2 3.78Å; Y126-V130 HydrophobicContact CG-CG2 4.3Å; Y126-V130 WeakPolarHBondContact O-CG2 3.49Å; Y126-V130 PolarHBondContact O-N 3.27Å; I127-V130 PolarHBondContact O-N 2.91Å; Q128-V130 PolarHBondContact O-N 3.28Å; V130-E132 VanDerWaalsContact C-N 3.32Å; V130-E132 PolarHBondContact O-N 3.16Å; V130-H133 CarbonylContact O-C 3.41Å; V130-H133 PolarHBondContact O-N 3.43Å; V130-H133 VanDerWaalsContact O-N 3.1Å; V130-G134 PolarHBondContact O-N 3.18Å; V130-G135 WeakPolarHBondContact O-CA 3.46Å; V130-G135 PolarHBondContact O-N 3.41Å; V130-K136 VanDerWaalsContact CG1-C 3.45Å; V130-K136 WeakPolarHBondContact CG1-O 3.5Å; V130-L141 HydrophobicContact CB-CD2 4.28Å; V130-L141 HydrophobicContact CG1-CD2 4.13Å; V130-L141 HydrophobicContact CG2-CD2 3.89Å |
| 131 | Q | 96.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 57.5 Ų | 57.5 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 174.4 | -171 | 179.9 | 31.5 | 0 | 0 | 111.8 | A109 I127 Q128 H133 G134 | A109-Q131 HydrophobicContact CB-CB 4.35Å; A109-Q131 HydrophobicContact CB-CG 4.3Å; A109-Q131 PolarHBondContact O-NE2 3.48Å; I127-Q131 WeakPolarHBondContact O-CB 3.46Å; I127-Q131 PolarHBondContact O-N 3.39Å; Q128-Q131 WeakPolarHBondContact O-CB 3.42Å; Q128-Q131 PolarHBondContact O-N 3.24Å; Q131-H133 PolarHBondContact O-N 3.38Å; Q131-G134 PolarHBondContact O-N 2.97Å |
| 132 | E | 95.9 | Very high | 93.7 | Very high | 125 Ų | 125 | 55 Ų | 55 | 58% | 0.584 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.6 | -21.8 | 176.9 | -71 | 170.4 | -170.5 | 0 | 0 | 113.1 | Q128 Y129 V130 | Q128-E132 WeakPolarHBondContact CG-OE1 3.49Å; Q128-E132 PolarHBondContact NE2-OE1 3.4Å; Q128-E132 WeakPolarHBondContact O-CG 3.41Å; Q128-E132 PolarHBondContact O-N 3.2Å; Y129-E132 PolarHBondContact O-N 3.47Å; V130-E132 VanDerWaalsContact C-N 3.32Å; V130-E132 PolarHBondContact O-N 3.16Å |
| 133 | H | 95 | Very high | 93.7 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 22.6 | -179.3 | -63.7 | 78.9 | 0 | 0 | 0 | 113.9 | Y129 V130 Q131 L141 | Y129-H133 AromaticContact CD2-CE1 3.81Å; Y129-H133 AromaticContact CE2-CE1 3.45Å; Y129-H133 VanDerWaalsContact CE2-CE1 3.45Å; Y129-H133 WeakPolarHBondContact CE2-CE1 3.21Å; Y129-H133 AromaticContact CZ-CE1 3.7Å; Y129-H133 PolarHBondContact O-N 2.91Å; Y129-H133 PolarHBondContact O-ND1 2.79Å; V130-H133 CarbonylContact O-C 3.41Å; V130-H133 PolarHBondContact O-N 3.43Å; V130-H133 VanDerWaalsContact O-N 3.1Å; Q131-H133 PolarHBondContact O-N 3.38Å; H133-L141 HydrophobicContact CB-CD1 3.6Å; H133-L141 HydrophobicContact CB-CD2 3.88Å; H133-L141 HydrophobicContact CB-CG 4.42Å |
| 134 | G | 90.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 57.6 Ų | 57.6 | 71% | 0.711 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.1 | 9.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | V130 Q131 K136 | V130-G134 PolarHBondContact O-N 3.18Å; Q131-G134 PolarHBondContact O-N 2.97Å; G134-K136 PolarHBondContact O-N 2.92Å |
| 135 | G | 88.9 | Confident | 94 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 76.9 | 14 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C111 D112 V130 | C111-G135 VanDerWaalsContact CA-O 3.29Å; C111-G135 WeakPolarHBondContact CA-O 3.27Å; D112-G135 PolarHBondContact N-O 3.27Å; V130-G135 WeakPolarHBondContact O-CA 3.46Å; V130-G135 PolarHBondContact O-N 3.41Å |
| 136 | K | 93.3 | Very high | 94.1 | Very high | 156 Ų | 156 | 48 Ų | 48 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | trans | -126.7 | 134.7 | 176 | -67.2 | -172.2 | 177.3 | -175.5 | 0 | 111.8 | D112 V130 G134 | D112-K136 VanDerWaalsContact OD2-CA 3.24Å; D112-K136 WeakPolarHBondContact OD2-CA 3.36Å; V130-K136 VanDerWaalsContact CG1-C 3.45Å; V130-K136 WeakPolarHBondContact CG1-O 3.5Å; G134-K136 PolarHBondContact O-N 2.92Å | ||
| 137 | N | 91.6 | Very high | 94 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | trans | -74.8 | 139.6 | 174.5 | 178.5 | 88.1 | 0 | 0 | 0 | 110.4 | D112 D114 Q118 Y126 | D112-N137 PolarHBondContact OD1-N 3.09Å; D112-N137 PolarHBondContact OD2-N 3.28Å; D114-N137 HydrophobicContact CB-CB 3.88Å; Q118-N137 WeakPolarHBondContact CB-OD1 3.31Å; Y126-N137 WeakPolarHBondContact CE1-OD1 3.34Å; Y126-N137 PolarHBondContact OH-OD1 3.28Å | ||
| 138 | S | 90.6 | Very high | 93.9 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | trans | -145.4 | 161.7 | 167.8 | 93 | 0 | 0 | 0 | 0 | 110.1 | E140 L141 A142 | S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 WeakPolarHBondContact CB-OE2 3.38Å; S138-E140 PolarHBondContact O-N 3.29Å; S138-E140 PolarHBondContact OG-N 3.47Å; S138-E140 PolarHBondContact OG-OE2 3.48Å; S138-L141 PolarHBondContact O-N 3.46Å; S138-L141 PolarHBondContact OG-N 2.86Å; S138-A142 WeakPolarHBondContact O-CB 3.23Å; S138-A142 PolarHBondContact O-N 3.11Å | ||
| 139 | V | 86 | Confident | 93.8 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | A142 E143 Y172 F185 E188 | V139-A142 PolarHBondContact O-N 2.93Å; V139-E143 WeakPolarHBondContact O-CB 3.41Å; V139-E143 PolarHBondContact O-N 3.45Å; V139-Y172 HydrophobicContact CB-CD2 4.46Å; V139-Y172 HydrophobicContact CB-CE2 4.09Å; V139-Y172 HydrophobicContact CG1-CD1 3.78Å; V139-Y172 HydrophobicContact CG1-CD2 3.91Å; V139-Y172 HydrophobicContact CG1-CE1 3.62Å; V139-Y172 HydrophobicContact CG1-CE2 3.73Å; V139-Y172 HydrophobicContact CG1-CG 3.95Å; V139-F185 HydrophobicContact CG1-CD1 3.73Å; V139-F185 HydrophobicContact CG1-CE1 3.43Å; V139-F185 VanDerWaalsContact CG1-CE1 3.43Å; V139-F185 HydrophobicContact CG1-CZ 4.29Å; V139-F185 HydrophobicContact CG2-CD1 4.31Å; V139-E188 VanDerWaalsContact CG2-CD 3.43Å; V139-E188 HydrophobicContact CG2-CG 4.02Å; V139-E188 WeakPolarHBondContact CG2-OE1 3.42Å |
| 140 | E | 90.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 46% | 0.458 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -56.9 | -53.9 | 174.4 | -57.6 | 66.8 | -153.8 | 0 | 0 | 110.1 | S138 A142 E143 E144 Y172 | S138-E140 VanDerWaalsContact C-N 3.28Å; S138-E140 WeakPolarHBondContact CB-OE2 3.38Å; S138-E140 PolarHBondContact O-N 3.29Å; S138-E140 PolarHBondContact OG-N 3.47Å; S138-E140 PolarHBondContact OG-OE2 3.48Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.49Å; E140-E143 WeakPolarHBondContact O-CB 3.3Å; E140-E143 PolarHBondContact O-N 2.97Å; E140-E143 VanDerWaalsContact O-N 3.13Å; E140-E144 WeakPolarHBondContact O-CG 3.36Å; E140-E144 PolarHBondContact O-N 3.39Å; E140-Y172 WeakPolarHBondContact CA-OH 3.4Å; E140-Y172 WeakPolarHBondContact CG-OH 3.48Å |
| 141 | L | 94.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -32.1 | -177.6 | -171.5 | 64.9 | 0 | 0 | 0 | 112.5 | Y129 V130 H133 S138 Y145 | Y129-L141 HydrophobicContact CD1-CD1 4.11Å; Y129-L141 HydrophobicContact CD1-CG 4.32Å; Y129-L141 HydrophobicContact CE1-CD1 3.5Å; Y129-L141 VanDerWaalsContact CE1-CD1 3.5Å; Y129-L141 HydrophobicContact CE1-CG 4.02Å; V130-L141 HydrophobicContact CB-CD2 4.28Å; V130-L141 HydrophobicContact CG1-CD2 4.13Å; V130-L141 HydrophobicContact CG2-CD2 3.89Å; H133-L141 HydrophobicContact CB-CD1 3.6Å; H133-L141 HydrophobicContact CB-CD2 3.88Å; H133-L141 HydrophobicContact CB-CG 4.42Å; S138-L141 PolarHBondContact O-N 3.46Å; S138-L141 PolarHBondContact OG-N 2.86Å; L141-Y145 PolarHBondContact O-N 3.31Å; L141-Y145 VanDerWaalsContact O-N 3.12Å |
| 142 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.5 | -34.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q118 F122 Y126 S138 V139 E140 S146 M184 | Q118-A142 HydrophobicContact CG-CB 4.4Å; F122-A142 HydrophobicContact CE2-CB 3.92Å; F122-A142 WeakPolarHBondContact CE2-O 3.36Å; F122-A142 HydrophobicContact CZ-CB 4.35Å; Y126-A142 WeakPolarHBondContact OH-CA 3.48Å; Y126-A142 PolarHBondContact OH-N 3.4Å; S138-A142 WeakPolarHBondContact O-CB 3.23Å; S138-A142 PolarHBondContact O-N 3.11Å; V139-A142 PolarHBondContact O-N 2.93Å; E140-A142 VanDerWaalsContact C-N 3.32Å; E140-A142 PolarHBondContact O-N 3.49Å; A142-S146 WeakPolarHBondContact O-CB 3.3Å; A142-S146 PolarHBondContact O-N 2.95Å; A142-M184 HydrophobicContact CB-CB 3.71Å; A142-M184 WeakPolarHBondContact CB-O 3.4Å |
| 143 | E | 94.7 | Very high | 93 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 173.2 | -173.5 | 170.1 | -128.8 | 0 | 0 | 111.4 | V139 E140 S146 R147 Y172 N173 Y176 Y178 M184 | V139-E143 WeakPolarHBondContact O-CB 3.41Å; V139-E143 PolarHBondContact O-N 3.45Å; E140-E143 WeakPolarHBondContact O-CB 3.3Å; E140-E143 PolarHBondContact O-N 2.97Å; E140-E143 VanDerWaalsContact O-N 3.13Å; E143-S146 WeakPolarHBondContact O-CB 3.44Å; E143-S146 PolarHBondContact O-N 2.9Å; E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 2.97Å; E143-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; E143-N173 PolarHBondContact OE1-ND2 2.91Å; E143-Y176 PolarHBondContact OE1-OH 3.12Å; E143-Y178 HydrophobicContact CG-CE2 3.92Å; E143-M184 HydrophobicContact CB-CB 4.48Å; E143-M184 HydrophobicContact CB-CG 4.19Å; E143-M184 HydrophobicContact CG-CE 4.16Å |
| 144 | E | 95.7 | Very high | 92.7 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 173.6 | -67.1 | -174.7 | 166.2 | 0 | 0 | 111.3 | E140 S146 R147 D148 | E140-E144 WeakPolarHBondContact O-CG 3.36Å; E140-E144 PolarHBondContact O-N 3.39Å; E144-S146 PolarHBondContact O-N 3.48Å; E144-R147 PolarHBondContact O-N 3.01Å; E144-D148 WeakPolarHBondContact O-CB 3.33Å; E144-D148 PolarHBondContact O-N 3.39Å |
| 145 | Y | 97.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 4% | 0.043 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 176.8 | -167.3 | -103.8 | 0 | 0 | 0 | 113.2 | F122 K125 Y126 Y129 L141 V149 L150 | F122-Y145 HydrophobicContact CB-CD1 4.44Å; F122-Y145 HydrophobicContact CB-CE1 4.18Å; F122-Y145 AromaticContact CD2-CD1 3.58Å; F122-Y145 HydrophobicContact CD2-CD1 3.58Å; F122-Y145 HydrophobicContact CD2-CE1 4.15Å; F122-Y145 AromaticContact CE2-CD1 3.95Å; F122-Y145 HydrophobicContact CE2-CD1 3.95Å; F122-Y145 HydrophobicContact CG-CD1 4.19Å; F122-Y145 HydrophobicContact CG-CE1 4.41Å; K125-Y145 WeakPolarHBondContact CB-OH 3.35Å; Y126-Y145 AromaticContact CD2-CD1 3.43Å; Y126-Y145 HydrophobicContact CD2-CD1 3.43Å; Y126-Y145 VanDerWaalsContact CD2-CD1 3.43Å; Y126-Y145 AromaticContact CD2-CD2 3.86Å; Y126-Y145 HydrophobicContact CD2-CD2 3.86Å; Y126-Y145 AromaticContact CD2-CE1 3.82Å; Y126-Y145 HydrophobicContact CD2-CE1 3.82Å; Y126-Y145 HydrophobicContact CD2-CE2 4.21Å; Y126-Y145 AromaticContact CD2-CG 3.44Å; Y126-Y145 HydrophobicContact CD2-CG 3.44Å; Y126-Y145 VanDerWaalsContact CD2-CG 3.44Å; Y126-Y145 HydrophobicContact CE2-CD1 4.08Å; Y126-Y145 HydrophobicContact CE2-CD2 4.39Å; Y126-Y145 AromaticContact CE2-CG 3.81Å; Y126-Y145 HydrophobicContact CE2-CG 3.81Å; Y126-Y145 HydrophobicContact CG-CD1 4.27Å; Y126-Y145 HydrophobicContact CG-CE1 4.32Å; Y126-Y145 PolarHBondContact N-OH 3.18Å; Y129-Y145 AromaticContact CD1-CD2 3.47Å; Y129-Y145 HydrophobicContact CD1-CD2 3.47Å; Y129-Y145 VanDerWaalsContact CD1-CD2 3.47Å; Y129-Y145 HydrophobicContact CD1-CE2 4.29Å; Y129-Y145 HydrophobicContact CD1-CG 4.08Å; Y129-Y145 AromaticContact CD2-CD2 3.83Å; Y129-Y145 HydrophobicContact CD2-CD2 3.83Å; Y129-Y145 HydrophobicContact CD2-CE2 4.2Å; Y129-Y145 AromaticContact CE1-CD2 3.88Å; Y129-Y145 HydrophobicContact CE1-CD2 3.88Å; Y129-Y145 HydrophobicContact CE1-CG 4.31Å; Y129-Y145 HydrophobicContact CE2-CD2 4.22Å; Y129-Y145 AromaticContact CG-CD2 3.42Å; Y129-Y145 HydrophobicContact CG-CD2 3.42Å; Y129-Y145 VanDerWaalsContact CG-CD2 3.42Å; Y129-Y145 AromaticContact CG-CE2 3.84Å; Y129-Y145 HydrophobicContact CG-CE2 3.84Å; Y129-Y145 HydrophobicContact CG-CG 4.43Å; L141-Y145 PolarHBondContact O-N 3.31Å; L141-Y145 VanDerWaalsContact O-N 3.12Å; Y145-V149 HydrophobicContact CD2-CB 3.79Å; Y145-V149 HydrophobicContact CD2-CG1 4.19Å; Y145-V149 HydrophobicContact CD2-CG2 3.71Å; Y145-V149 HydrophobicContact CE2-CB 3.81Å; Y145-V149 HydrophobicContact CE2-CG1 3.67Å; Y145-V149 HydrophobicContact CE2-CG2 3.95Å; Y145-V149 HydrophobicContact CG-CB 4.26Å; Y145-V149 HydrophobicContact CG-CG2 4.47Å; Y145-V149 WeakPolarHBondContact O-CA 3.43Å; Y145-V149 WeakPolarHBondContact O-CB 3.44Å; Y145-V149 PolarHBondContact O-N 3.26Å; Y145-L150 HydrophobicContact CD1-CD1 3.67Å; Y145-L150 HydrophobicContact CD1-CG 3.71Å; Y145-L150 HydrophobicContact CE1-CD1 3.72Å; Y145-L150 HydrophobicContact CE1-CD2 3.85Å; Y145-L150 HydrophobicContact CE1-CG 3.52Å; Y145-L150 PolarHBondContact O-N 2.86Å |
| 146 | S | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -59 | -46.8 | 175.7 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | A142 E143 E144 S151 G181 | A142-S146 WeakPolarHBondContact O-CB 3.3Å; A142-S146 PolarHBondContact O-N 2.95Å; E143-S146 WeakPolarHBondContact O-CB 3.44Å; E143-S146 PolarHBondContact O-N 2.9Å; E144-S146 PolarHBondContact O-N 3.48Å; S146-S151 VanDerWaalsContact O-CB 3.3Å; S146-S151 WeakPolarHBondContact O-CB 3.5Å; S146-S151 PolarHBondContact O-N 3.05Å; S146-S151 PolarHBondContact O-OG 3.31Å; S146-G181 VanDerWaalsContact CB-O 3.28Å; S146-G181 WeakPolarHBondContact CB-O 3.32Å; S146-G181 VanDerWaalsContact OG-C 3.29Å; S146-G181 WeakPolarHBondContact OG-CA 3.28Å; S146-G181 PolarHBondContact OG-O 2.81Å |
| 147 | R | 95.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 21% | 0.211 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -74.9 | -45.2 | -175.6 | -177.5 | -173.1 | 64.5 | -128.3 | -1.1 | 113.4 | E143 E144 P152 Q159 Y178 | E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 2.97Å; E144-R147 PolarHBondContact O-N 3.01Å; R147-P152 WeakPolarHBondContact O-CD 3.32Å; R147-Q159 HydrophobicContact CG-CG 4.19Å; R147-Q159 PolarHBondContact O-NE2 2.95Å; R147-Y178 HydrophobicContact CB-CD2 4.08Å; R147-Y178 HydrophobicContact CB-CE1 4.21Å; R147-Y178 HydrophobicContact CB-CE2 3.71Å; R147-Y178 HydrophobicContact CB-CG 4.48Å; R147-Y178 WeakPolarHBondContact CD-OH 3.36Å; R147-Y178 HydrophobicContact CG-CD1 4.39Å; R147-Y178 HydrophobicContact CG-CE1 3.77Å; R147-Y178 HydrophobicContact CG-CE2 4.08Å |
| 148 | D | 95 | Very high | 92.4 | Very high | 73 Ų | 73 | 51 Ų | 51 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -104.8 | -17.9 | -165.6 | -58.2 | -32.3 | 0 | 0 | 0 | 113.4 | E144 Q159 | E144-D148 WeakPolarHBondContact O-CB 3.33Å; E144-D148 PolarHBondContact O-N 3.39Å; D148-Q159 PolarHBondContact OD1-NE2 2.9Å; D148-Q159 VanDerWaalsContact OD1-NE2 3.14Å |
| 149 | V | 94.9 | Very high | 92.4 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 38% | 0.376 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -116.1 | -57.2 | -179.6 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | Y129 Y145 G153 | Y129-V149 HydrophobicContact CE2-CG2 4.46Å; Y145-V149 HydrophobicContact CD2-CB 3.79Å; Y145-V149 HydrophobicContact CD2-CG1 4.19Å; Y145-V149 HydrophobicContact CD2-CG2 3.71Å; Y145-V149 HydrophobicContact CE2-CB 3.81Å; Y145-V149 HydrophobicContact CE2-CG1 3.67Å; Y145-V149 HydrophobicContact CE2-CG2 3.95Å; Y145-V149 HydrophobicContact CG-CB 4.26Å; Y145-V149 HydrophobicContact CG-CG2 4.47Å; Y145-V149 WeakPolarHBondContact O-CA 3.43Å; Y145-V149 WeakPolarHBondContact O-CB 3.44Å; Y145-V149 PolarHBondContact O-N 3.26Å; V149-G153 PolarHBondContact O-N 2.78Å; V149-G153 VanDerWaalsContact O-N 3.11Å |
| 150 | L | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -72 | -52.2 | -174.7 | -71.6 | 175 | 0 | 0 | 0 | 112.5 | F122 Y145 G153 Y154 G181 | F122-L150 HydrophobicContact CB-CD1 4Å; F122-L150 HydrophobicContact CD1-CD1 3.41Å; F122-L150 VanDerWaalsContact CD1-CD1 3.41Å; F122-L150 HydrophobicContact CD2-CD1 4.11Å; F122-L150 HydrophobicContact CE1-CD1 3.75Å; F122-L150 HydrophobicContact CE2-CD1 4.4Å; F122-L150 HydrophobicContact CG-CD1 3.6Å; F122-L150 HydrophobicContact CZ-CD1 4.22Å; Y145-L150 HydrophobicContact CD1-CD1 3.67Å; Y145-L150 HydrophobicContact CD1-CG 3.71Å; Y145-L150 HydrophobicContact CE1-CD1 3.72Å; Y145-L150 HydrophobicContact CE1-CD2 3.85Å; Y145-L150 HydrophobicContact CE1-CG 3.52Å; Y145-L150 PolarHBondContact O-N 2.86Å; L150-G153 PolarHBondContact O-N 3.42Å; L150-Y154 HydrophobicContact CD2-CE2 4.2Å; L150-Y154 WeakPolarHBondContact O-CD2 3.33Å; L150-Y154 PolarHBondContact O-N 2.7Å; L150-Y154 VanDerWaalsContact O-N 3.08Å; L150-G181 WeakPolarHBondContact CD1-O 3.48Å |
| 151 | S | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -49.6 | -176.9 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | S146 Y154 G155 N156 Y178 Q179 G181 | S146-S151 VanDerWaalsContact O-CB 3.3Å; S146-S151 WeakPolarHBondContact O-CB 3.5Å; S146-S151 PolarHBondContact O-N 3.05Å; S146-S151 PolarHBondContact O-OG 3.31Å; S151-Y154 CarbonylContact O-C 3.42Å; S151-Y154 PolarHBondContact O-N 3.32Å; S151-G155 PolarHBondContact O-N 2.99Å; S151-N156 WeakPolarHBondContact O-CA 3.44Å; S151-N156 WeakPolarHBondContact O-CB 3.22Å; S151-N156 PolarHBondContact O-N 2.67Å; S151-Y178 WeakPolarHBondContact OG-CB 3.21Å; S151-Q179 PolarHBondContact OG-O 3.46Å; S151-G181 WeakPolarHBondContact OG-CA 3.5Å; S151-G181 PolarHBondContact OG-N 2.9Å |
| 152 | P | 93.2 | Very high | 92.2 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 23% | 0.234 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | 176.3 | -19.3 | 35.3 | 0 | 0 | 0 | 112 | R147 Y154 G155 | R147-P152 WeakPolarHBondContact O-CD 3.32Å; P152-Y154 PolarHBondContact O-N 3.45Å; P152-Y154 VanDerWaalsContact O-N 3.09Å; P152-G155 PolarHBondContact O-N 2.84Å |
| 153 | G | 90.1 | Very high | 91.3 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58.3 | -23.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V149 L150 | V149-G153 PolarHBondContact O-N 2.78Å; V149-G153 VanDerWaalsContact O-N 3.11Å; L150-G153 PolarHBondContact O-N 3.42Å |
| 154 | Y | 88.3 | Confident | 90.1 | Very high | 163 Ų | 163 | 70.2 Ų | 70.2 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 27.6 | 173.2 | -68.1 | -69.3 | 0 | 0 | 0 | 113.2 | L150 S151 P152 N180 | L150-Y154 HydrophobicContact CD2-CE2 4.2Å; L150-Y154 WeakPolarHBondContact O-CD2 3.33Å; L150-Y154 PolarHBondContact O-N 2.7Å; L150-Y154 VanDerWaalsContact O-N 3.08Å; S151-Y154 CarbonylContact O-C 3.42Å; S151-Y154 PolarHBondContact O-N 3.32Å; P152-Y154 PolarHBondContact O-N 3.45Å; P152-Y154 VanDerWaalsContact O-N 3.09Å; Y154-N180 HydrophobicContact CG-CB 4.42Å; Y154-N180 PolarHBondContact O-ND2 3.07Å |
| 155 | G | 88.2 | Confident | 88.8 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 62% | 0.619 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 13.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S151 P152 | S151-G155 PolarHBondContact O-N 2.99Å; P152-G155 PolarHBondContact O-N 2.84Å |
| 156 | N | 90.9 | Very high | 87.2 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | trans | -99.7 | 57 | 171.7 | -177.4 | 28.6 | 0 | 0 | 0 | 111 | S151 Q158 Q159 H160 Q179 | S151-N156 WeakPolarHBondContact O-CA 3.44Å; S151-N156 WeakPolarHBondContact O-CB 3.22Å; S151-N156 PolarHBondContact O-N 2.67Å; N156-Q158 PolarHBondContact O-N 3Å; N156-Q158 VanDerWaalsContact O-N 3.17Å; N156-Q159 PolarHBondContact O-N 2.91Å; N156-Q159 PolarHBondContact OD1-N 3.24Å; N156-H160 PolarHBondContact ND2-N 2.69Å; N156-H160 PolarHBondContact ND2-O 3.11Å; N156-H160 WeakPolarHBondContact OD1-CB 3.43Å; N156-H160 PolarHBondContact OD1-N 3.49Å; N156-Q179 PolarHBondContact ND2-O 2.75Å | ||
| 157 | D | 89.6 | Confident | 85.5 | Confident | 111 Ų | 111 | 81 Ų | 81 | 59% | 0.594 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.9 | 178.4 | -57.4 | -58.1 | 0 | 0 | 0 | 113.1 | Q159 | D157-Q159 PolarHBondContact O-N 2.69Š|
| 158 | Q | 88.5 | Confident | 83.6 | Confident | 147 Ų | 147 | 79.4 Ų | 79.4 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.3 | 178.2 | -59.1 | -59.3 | -56.4 | 0 | 0 | 113.2 | N156 H160 | N156-Q158 PolarHBondContact O-N 3Å; N156-Q158 VanDerWaalsContact O-N 3.17Å; Q158-H160 VanDerWaalsContact CB-CE1 3.48Å; Q158-H160 WeakPolarHBondContact CB-CE1 3.32Å; Q158-H160 PolarHBondContact O-N 2.8Å; Q158-H160 VanDerWaalsContact O-N 3.09Å |
| 159 | Q | 89.9 | Confident | 81.5 | Confident | 74 Ų | 74 | 76 Ų | 76 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | trans | 50.9 | 35.9 | 177.4 | -57.4 | -175.6 | -8.9 | 0 | 0 | 113.2 | R147 D148 N156 D157 T161 Y178 | R147-Q159 HydrophobicContact CG-CG 4.19Å; R147-Q159 PolarHBondContact O-NE2 2.95Å; D148-Q159 PolarHBondContact OD1-NE2 2.9Å; D148-Q159 VanDerWaalsContact OD1-NE2 3.14Å; N156-Q159 PolarHBondContact O-N 2.91Å; N156-Q159 PolarHBondContact OD1-N 3.24Å; D157-Q159 PolarHBondContact O-N 2.69Å; Q159-T161 PolarHBondContact O-N 3.28Å; Q159-Y178 HydrophobicContact CB-CD1 4.1Å; Q159-Y178 HydrophobicContact CB-CE1 3.97Å; Q159-Y178 WeakPolarHBondContact O-CD1 3.17Å | ||
| 160 | H | 92.9 | Very high | 79.4 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | trans | -59.2 | 133.9 | 177.4 | -65.3 | -35.8 | 0 | 0 | 0 | 110.3 | N156 Q158 Q179 | N156-H160 PolarHBondContact ND2-N 2.69Å; N156-H160 PolarHBondContact ND2-O 3.11Å; N156-H160 WeakPolarHBondContact OD1-CB 3.43Å; N156-H160 PolarHBondContact OD1-N 3.49Å; Q158-H160 VanDerWaalsContact CB-CE1 3.48Å; Q158-H160 WeakPolarHBondContact CB-CE1 3.32Å; Q158-H160 PolarHBondContact O-N 2.8Å; Q158-H160 VanDerWaalsContact O-N 3.09Å; H160-Q179 HydrophobicContact CB-CG 4.4Å; H160-Q179 WeakPolarHBondContact O-CB 3.44Å; H160-Q179 WeakPolarHBondContact O-CG 3.24Å; H160-Q179 PolarHBondContact O-N 3.13Å | ||
| 161 | T | 93.1 | Very high | 77.2 | Confident | 64 Ų | 64 | 81.7 Ų | 81.7 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 167.1 | 177.4 | 58 | 0 | 0 | 0 | 0 | 111.2 | Q159 Y176 L177 Y178 Q179 | Q159-T161 PolarHBondContact O-N 3.28Å; T161-Y176 HydrophobicContact CG2-CD2 3.52Å; T161-Y176 HydrophobicContact CG2-CE2 3.89Å; T161-Y176 HydrophobicContact CG2-CG 4.31Å; T161-L177 CarbonylContact C-O 3.52Å; T161-L177 WeakPolarHBondContact CA-O 3.31Å; T161-L177 VanDerWaalsContact CB-O 3.32Å; T161-L177 WeakPolarHBondContact CB-O 3.41Å; T161-Y178 HydrophobicContact CG2-CD1 3.6Å; T161-Y178 HydrophobicContact CG2-CE1 3.69Å; T161-Y178 HydrophobicContact CG2-CG 4.18Å; T161-Q179 PolarHBondContact O-NE2 3.46Å |
| 162 | Y | 81.2 | Confident | 75.2 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.2 | 167 | 70 | -81.1 | 0 | 0 | 0 | 109.9 | Y164 Y176 L177 Q179 | Y162-Y164 PolarHBondContact O-N 2.89Å; Y162-Y176 WeakPolarHBondContact O-CA 3.34Å; Y162-L177 HydrophobicContact CD1-CB 4.33Å; Y162-L177 WeakPolarHBondContact CD1-O 3.42Å; Y162-L177 HydrophobicContact CE1-CB 3.68Å; Y162-L177 HydrophobicContact CE2-CB 4.48Å; Y162-L177 PolarHBondContact N-O 2.94Å; Y162-L177 PolarHBondContact O-N 3.16Å; Y162-L177 WeakPolarHBondContact OH-CD1 3.38Å; Y162-Q179 HydrophobicContact CD1-CG 3.81Å; Y162-Q179 HydrophobicContact CG-CG 4.49Å |
| 163 | R | 75.2 | Confident | 73.9 | Confident | 196 Ų | 196 | 85.5 Ų | 85.5 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 126.4 | -174.6 | -170.4 | 178.8 | -176.9 | 176.9 | 1.2 | 111.1 | M165 | R163-M165 HydrophobicContact CG-CG 4.02Å; R163-M165 HydrophobicContact CG-SD 4Å; R163-M165 PolarHBondContact NE-SD 3.12Å; R163-M165 PolarHBondContact NH2-SD 2.95Å; R163-M165 VanDerWaalsContact NH2-SD 3.45Å |
| 164 | Y | 70.9 | Confident | 72.1 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | trans | -133.2 | 92.2 | -178.3 | -173.2 | -111.5 | 0 | 0 | 0 | 110.6 | Y162 Q166 S169 G175 L177 N183 | Y162-Y164 PolarHBondContact O-N 2.89Å; Y164-Q166 VanDerWaalsContact C-N 3.26Å; Y164-Q166 HydrophobicContact CD1-CB 4.13Å; Y164-Q166 HydrophobicContact CD1-CG 4.03Å; Y164-Q166 HydrophobicContact CE1-CB 3.68Å; Y164-Q166 HydrophobicContact CE1-CG 3.37Å; Y164-Q166 HydrophobicContact CE2-CG 3.94Å; Y164-Q166 PolarHBondContact O-N 3.23Å; Y164-Q166 WeakPolarHBondContact OH-CG 3.44Å; Y164-S169 PolarHBondContact O-OG 2.9Å; Y164-G175 PolarHBondContact N-O 3.14Å; Y164-G175 CarbonylContact O-C 3.59Å; Y164-G175 VanDerWaalsContact O-CA 3.29Å; Y164-G175 WeakPolarHBondContact O-CA 3.32Å; Y164-L177 HydrophobicContact CD1-CD1 3.6Å; Y164-L177 HydrophobicContact CD1-CD2 4.16Å; Y164-L177 HydrophobicContact CD1-CG 3.63Å; Y164-L177 HydrophobicContact CD2-CD1 3.66Å; Y164-L177 HydrophobicContact CD2-CG 4.3Å; Y164-L177 HydrophobicContact CE1-CD1 3.82Å; Y164-L177 HydrophobicContact CE1-CG 4.24Å; Y164-L177 HydrophobicContact CE2-CD1 3.88Å; Y164-L177 HydrophobicContact CG-CD1 3.5Å; Y164-L177 HydrophobicContact CG-CG 3.65Å; Y164-N183 PolarHBondContact OH-ND2 3.32Å | ||
| 165 | M | 68.3 | Low | 71.2 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | trans | -85.3 | 51.3 | -172.6 | -62.4 | -60.9 | -59.7 | 0 | 0 | 113.2 | R163 V170 | R163-M165 HydrophobicContact CG-CG 4.02Å; R163-M165 HydrophobicContact CG-SD 4Å; R163-M165 PolarHBondContact NE-SD 3.12Å; R163-M165 PolarHBondContact NH2-SD 2.95Å; R163-M165 VanDerWaalsContact NH2-SD 3.45Å; M165-V170 HydrophobicContact CE-CG2 3.55Å; M165-V170 HydrophobicContact SD-CG2 4.09Å | ||
| 166 | Q | 62.7 | Low | 70.8 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | trans | -89.3 | 154.8 | 166.3 | -65.5 | -59.3 | -15.1 | 0 | 0 | 111.1 | Y164 Q168 S169 V170 | Y164-Q166 VanDerWaalsContact C-N 3.26Å; Y164-Q166 HydrophobicContact CD1-CB 4.13Å; Y164-Q166 HydrophobicContact CD1-CG 4.03Å; Y164-Q166 HydrophobicContact CE1-CB 3.68Å; Y164-Q166 HydrophobicContact CE1-CG 3.37Å; Y164-Q166 HydrophobicContact CE2-CG 3.94Å; Y164-Q166 PolarHBondContact O-N 3.23Å; Y164-Q166 WeakPolarHBondContact OH-CG 3.44Å; Q166-Q168 PolarHBondContact O-N 2.88Å; Q166-S169 PolarHBondContact O-N 3.22Å; Q166-V170 WeakPolarHBondContact O-CG2 3.32Å; Q166-V170 PolarHBondContact O-N 3.48Å | ||
| 167 | L | 60.4 | Low | 70.7 | Confident | 112 Ų | 112 | 77.5 Ų | 77.5 | 59% | 0.586 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -55.1 | -49.1 | -173.6 | -179.2 | 62 | 0 | 0 | 0 | 112.5 | V170 L171 | L167-V170 PolarHBondContact O-N 3.02Å; L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.29Å; L167-L171 PolarHBondContact O-N 2.77Å |
| 168 | Q | 56.6 | Low | 70.8 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 11% | 0.112 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.3 | -54 | 178 | -68 | 76.9 | 0.2 | 0 | 0 | 111.1 | Q166 V170 L171 Y172 F185 E188 I189 M192 | Q166-Q168 PolarHBondContact O-N 2.88Å; Q168-V170 PolarHBondContact O-N 2.81Å; Q168-L171 PolarHBondContact O-N 3.25Å; Q168-Y172 VanDerWaalsContact O-CB 3.3Å; Q168-Y172 WeakPolarHBondContact O-CB 2.92Å; Q168-Y172 PolarHBondContact O-N 3.15Å; Q168-F185 HydrophobicContact CB-CB 4.08Å; Q168-F185 HydrophobicContact CB-CD1 3.78Å; Q168-F185 HydrophobicContact CB-CE1 4.49Å; Q168-F185 HydrophobicContact CB-CG 3.99Å; Q168-E188 HydrophobicContact CG-CB 4.27Å; Q168-E188 WeakPolarHBondContact CG-OE2 3.38Å; Q168-I189 HydrophobicContact CG-CG1 4.3Å; Q168-M192 PolarHBondContact NE2-SD 3.44Å; Q168-M192 VanDerWaalsContact NE2-SD 3.37Å |
| 169 | S | 50.1 | Low | 70.9 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 113.1 | Y164 Q166 Y172 N173 G174 G175 Y176 F185 | Y164-S169 PolarHBondContact O-OG 2.9Å; Q166-S169 PolarHBondContact O-N 3.22Å; S169-Y172 PolarHBondContact O-N 2.79Å; S169-N173 CarbonylContact O-C 3.22Å; S169-N173 PolarHBondContact O-N 3.31Å; S169-N173 PolarHBondContact O-OD1 3.47Å; S169-N173 PolarHBondContact OG-OD1 3.39Å; S169-G174 PolarHBondContact O-N 2.74Å; S169-G175 PolarHBondContact O-N 3.32Å; S169-G175 VanDerWaalsContact OG-CA 3.23Å; S169-G175 WeakPolarHBondContact OG-CA 3.34Å; S169-Y176 PolarHBondContact OG-N 3.43Å; S169-Y176 PolarHBondContact OG-O 2.92Å; S169-F185 VanDerWaalsContact CA-CZ 3.48Å |
| 170 | V | 49.9 | Very low | 71 | Confident | 61 Ų | 61 | 71 Ų | 71 | 37% | 0.37 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | M165 Q166 L167 Q168 G174 | M165-V170 HydrophobicContact CE-CG2 3.55Å; M165-V170 HydrophobicContact SD-CG2 4.09Å; Q166-V170 WeakPolarHBondContact O-CG2 3.32Å; Q166-V170 PolarHBondContact O-N 3.48Å; L167-V170 PolarHBondContact O-N 3.02Å; Q168-V170 PolarHBondContact O-N 2.81Å; V170-G174 PolarHBondContact O-N 2.68Å |
| 171 | L | 47.7 | Very low | 70.9 | Confident | 140 Ų | 140 | 66 Ų | 66 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.1 | -34.3 | 178 | -69.3 | 173.3 | 0 | 0 | 0 | 112.9 | L167 Q168 | L167-L171 HydrophobicContact CD1-CD1 3.91Å; L167-L171 HydrophobicContact CD1-CG 4.23Å; L167-L171 HydrophobicContact CG-CD1 4Å; L167-L171 VanDerWaalsContact O-CG 3.31Å; L167-L171 WeakPolarHBondContact O-CG 3.29Å; L167-L171 PolarHBondContact O-N 2.77Å; Q168-L171 PolarHBondContact O-N 3.25Å |
| 172 | Y | 50.8 | Low | 70.8 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 35% | 0.345 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -86.9 | -57.4 | -175.1 | -176 | -97.2 | 0 | 0 | 0 | 113.1 | V139 E140 E143 Q168 S169 F185 | V139-Y172 HydrophobicContact CB-CD2 4.46Å; V139-Y172 HydrophobicContact CB-CE2 4.09Å; V139-Y172 HydrophobicContact CG1-CD1 3.78Å; V139-Y172 HydrophobicContact CG1-CD2 3.91Å; V139-Y172 HydrophobicContact CG1-CE1 3.62Å; V139-Y172 HydrophobicContact CG1-CE2 3.73Å; V139-Y172 HydrophobicContact CG1-CG 3.95Å; E140-Y172 WeakPolarHBondContact CA-OH 3.4Å; E140-Y172 WeakPolarHBondContact CG-OH 3.48Å; E143-Y172 WeakPolarHBondContact OE2-CE1 3.44Å; Q168-Y172 VanDerWaalsContact O-CB 3.3Å; Q168-Y172 WeakPolarHBondContact O-CB 2.92Å; Q168-Y172 PolarHBondContact O-N 3.15Å; S169-Y172 PolarHBondContact O-N 2.79Å; Y172-F185 AromaticContact CD1-CE1 3.7Å; Y172-F185 HydrophobicContact CD1-CE1 3.7Å; Y172-F185 AromaticContact CD1-CZ 3.79Å; Y172-F185 HydrophobicContact CD1-CZ 3.79Å; Y172-F185 AromaticContact CG-CE1 3.8Å; Y172-F185 HydrophobicContact CG-CE1 3.8Å; Y172-F185 HydrophobicContact CG-CZ 4.27Å |
| 173 | N | 66.9 | Low | 71.4 | Confident | 28 Ų | 28 | 60.2 Ų | 60.2 | 15% | 0.15 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 9.9 | -172.5 | 73.1 | 5.2 | 0 | 0 | 0 | 114.7 | E143 S169 G175 Y176 M184 | E143-N173 PolarHBondContact OE1-ND2 2.91Å; S169-N173 CarbonylContact O-C 3.22Å; S169-N173 PolarHBondContact O-N 3.31Å; S169-N173 PolarHBondContact O-OD1 3.47Å; S169-N173 PolarHBondContact OG-OD1 3.39Å; N173-G175 PolarHBondContact OD1-N 2.92Å; N173-Y176 HydrophobicContact CB-CD1 4.09Å; N173-Y176 HydrophobicContact CB-CE1 3.48Å; N173-Y176 VanDerWaalsContact CB-CE1 3.48Å; N173-Y176 VanDerWaalsContact CG-CE1 3.44Å; N173-Y176 WeakPolarHBondContact ND2-CE2 3.24Å; N173-Y176 VanDerWaalsContact ND2-CZ 3.34Å; N173-Y176 PolarHBondContact ND2-O 2.86Å; N173-Y176 WeakPolarHBondContact O-CD1 3.33Å; N173-Y176 WeakPolarHBondContact O-CE1 3.43Å; N173-Y176 PolarHBondContact OD1-N 2.94Å; N173-Y176 PolarHBondContact OD1-O 3.2Å; N173-M184 WeakPolarHBondContact ND2-CE 3.21Å |
| 174 | G | 52.3 | Low | 72.2 | Confident | 57 Ų | 57 | 51 Ų | 51 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 83.6 | 7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | S169 V170 | S169-G174 PolarHBondContact O-N 2.74Å; V170-G174 PolarHBondContact O-N 2.68Å |
| 175 | G | 68.2 | Low | 73 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | S | Bend | trans | 102.2 | 52.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y164 S169 N173 | Y164-G175 PolarHBondContact N-O 3.14Å; Y164-G175 CarbonylContact O-C 3.59Å; Y164-G175 VanDerWaalsContact O-CA 3.29Å; Y164-G175 WeakPolarHBondContact O-CA 3.32Å; S169-G175 PolarHBondContact O-N 3.32Å; S169-G175 VanDerWaalsContact OG-CA 3.23Å; S169-G175 WeakPolarHBondContact OG-CA 3.34Å; N173-G175 PolarHBondContact OD1-N 2.92Å |
| 176 | Y | 80.3 | Confident | 74.2 | Confident | 66 Ų | 66 | 43.9 Ų | 43.9 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.8 | 172.5 | 73.2 | -97.5 | 0 | 0 | 0 | 114.3 | E143 T161 Y162 S169 N173 Y178 M184 | E143-Y176 PolarHBondContact OE1-OH 3.12Å; T161-Y176 HydrophobicContact CG2-CD2 3.52Å; T161-Y176 HydrophobicContact CG2-CE2 3.89Å; T161-Y176 HydrophobicContact CG2-CG 4.31Å; Y162-Y176 WeakPolarHBondContact O-CA 3.34Å; S169-Y176 PolarHBondContact OG-N 3.43Å; S169-Y176 PolarHBondContact OG-O 2.92Å; N173-Y176 HydrophobicContact CB-CD1 4.09Å; N173-Y176 HydrophobicContact CB-CE1 3.48Å; N173-Y176 VanDerWaalsContact CB-CE1 3.48Å; N173-Y176 VanDerWaalsContact CG-CE1 3.44Å; N173-Y176 WeakPolarHBondContact ND2-CE2 3.24Å; N173-Y176 VanDerWaalsContact ND2-CZ 3.34Å; N173-Y176 PolarHBondContact ND2-O 2.86Å; N173-Y176 WeakPolarHBondContact O-CD1 3.33Å; N173-Y176 WeakPolarHBondContact O-CE1 3.43Å; N173-Y176 PolarHBondContact OD1-N 2.94Å; N173-Y176 PolarHBondContact OD1-O 3.2Å; Y176-Y178 AromaticContact CE2-CE2 3.99Å; Y176-Y178 HydrophobicContact CE2-CE2 3.99Å; Y176-M184 HydrophobicContact CE2-CE 4.42Å; Y176-M184 WeakPolarHBondContact O-CE 3.45Å |
| 177 | L | 88.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.4 | 165 | -68.6 | 178.1 | 0 | 0 | 0 | 109.4 | T161 Y162 Y164 N183 M184 F185 | T161-L177 CarbonylContact C-O 3.52Å; T161-L177 WeakPolarHBondContact CA-O 3.31Å; T161-L177 VanDerWaalsContact CB-O 3.32Å; T161-L177 WeakPolarHBondContact CB-O 3.41Å; Y162-L177 HydrophobicContact CD1-CB 4.33Å; Y162-L177 WeakPolarHBondContact CD1-O 3.42Å; Y162-L177 HydrophobicContact CE1-CB 3.68Å; Y162-L177 HydrophobicContact CE2-CB 4.48Å; Y162-L177 PolarHBondContact N-O 2.94Å; Y162-L177 PolarHBondContact O-N 3.16Å; Y162-L177 WeakPolarHBondContact OH-CD1 3.38Å; Y164-L177 HydrophobicContact CD1-CD1 3.6Å; Y164-L177 HydrophobicContact CD1-CD2 4.16Å; Y164-L177 HydrophobicContact CD1-CG 3.63Å; Y164-L177 HydrophobicContact CD2-CD1 3.66Å; Y164-L177 HydrophobicContact CD2-CG 4.3Å; Y164-L177 HydrophobicContact CE1-CD1 3.82Å; Y164-L177 HydrophobicContact CE1-CG 4.24Å; Y164-L177 HydrophobicContact CE2-CD1 3.88Å; Y164-L177 HydrophobicContact CG-CD1 3.5Å; Y164-L177 HydrophobicContact CG-CG 3.65Å; L177-N183 HydrophobicContact CD1-CB 4.27Å; L177-M184 HydrophobicContact CD2-CE 3.8Å; L177-M184 HydrophobicContact CD2-CG 4.29Å; L177-M184 HydrophobicContact CD2-SD 3.33Å; L177-M184 WeakPolarHBondContact CD2-SD 3.3Å; L177-F185 HydrophobicContact CD2-CD2 3.95Å; L177-F185 HydrophobicContact CD2-CE2 3.91Å |
| 178 | Y | 93.2 | Very high | 76.7 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138.6 | 170.3 | -66.8 | -85.3 | 0 | 0 | 0 | 111.3 | E143 R147 S151 Q159 T161 Y176 N180 G181 M184 | E143-Y178 HydrophobicContact CG-CE2 3.92Å; R147-Y178 HydrophobicContact CB-CD2 4.08Å; R147-Y178 HydrophobicContact CB-CE1 4.21Å; R147-Y178 HydrophobicContact CB-CE2 3.71Å; R147-Y178 HydrophobicContact CB-CG 4.48Å; R147-Y178 WeakPolarHBondContact CD-OH 3.36Å; R147-Y178 HydrophobicContact CG-CD1 4.39Å; R147-Y178 HydrophobicContact CG-CE1 3.77Å; R147-Y178 HydrophobicContact CG-CE2 4.08Å; S151-Y178 WeakPolarHBondContact OG-CB 3.21Å; Q159-Y178 HydrophobicContact CB-CD1 4.1Å; Q159-Y178 HydrophobicContact CB-CE1 3.97Å; Q159-Y178 WeakPolarHBondContact O-CD1 3.17Å; T161-Y178 HydrophobicContact CG2-CD1 3.6Å; T161-Y178 HydrophobicContact CG2-CE1 3.69Å; T161-Y178 HydrophobicContact CG2-CG 4.18Å; Y176-Y178 AromaticContact CE2-CE2 3.99Å; Y176-Y178 HydrophobicContact CE2-CE2 3.99Å; Y178-N180 PolarHBondContact O-N 3.35Å; Y178-G181 PolarHBondContact O-N 2.95Å; Y178-G181 VanDerWaalsContact O-N 3.13Å; Y178-M184 HydrophobicContact CD2-CE 4.48Å |
| 179 | Q | 90.3 | Very high | 77.9 | Confident | 78 Ų | 78 | 37.8 Ų | 37.8 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131 | 173.4 | -63.2 | 176 | 21.1 | 0 | 0 | 109 | S151 N156 H160 T161 Y162 G181 | S151-Q179 PolarHBondContact OG-O 3.46Å; N156-Q179 PolarHBondContact ND2-O 2.75Å; H160-Q179 HydrophobicContact CB-CG 4.4Å; H160-Q179 WeakPolarHBondContact O-CB 3.44Å; H160-Q179 WeakPolarHBondContact O-CG 3.24Å; H160-Q179 PolarHBondContact O-N 3.13Å; T161-Q179 PolarHBondContact O-NE2 3.46Å; Y162-Q179 HydrophobicContact CD1-CG 3.81Å; Y162-Q179 HydrophobicContact CG-CG 4.49Å; Q179-G181 PolarHBondContact O-N 3.04Å; Q179-G181 VanDerWaalsContact O-N 3.13Å |
| 180 | N | 91.2 | Very high | 79.9 | Confident | 96 Ų | 96 | 37.8 Ų | 37.8 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 9.8 | -173.3 | -48.4 | -18.2 | 0 | 0 | 0 | 115.6 | Y154 Y178 | Y154-N180 HydrophobicContact CG-CB 4.42Å; Y154-N180 PolarHBondContact O-ND2 3.07Å; Y178-N180 PolarHBondContact O-N 3.35Å |
| 181 | G | 92.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -90.1 | 5.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F122 S146 L150 S151 Y178 Q179 | F122-G181 VanDerWaalsContact CE1-O 3.31Å; F122-G181 WeakPolarHBondContact CE1-O 3.42Å; S146-G181 VanDerWaalsContact CB-O 3.28Å; S146-G181 WeakPolarHBondContact CB-O 3.32Å; S146-G181 VanDerWaalsContact OG-C 3.29Å; S146-G181 WeakPolarHBondContact OG-CA 3.28Å; S146-G181 PolarHBondContact OG-O 2.81Å; L150-G181 WeakPolarHBondContact CD1-O 3.48Å; S151-G181 WeakPolarHBondContact OG-CA 3.5Å; S151-G181 PolarHBondContact OG-N 2.9Å; Y178-G181 PolarHBondContact O-N 2.95Å; Y178-G181 VanDerWaalsContact O-N 3.13Å; Q179-G181 PolarHBondContact O-N 3.04Å; Q179-G181 VanDerWaalsContact O-N 3.13Å |
| 182 | G | 91.3 | Very high | 83.2 | Confident | 31 Ų | 31 | 33.2 Ų | 33.2 | 32% | 0.32 | 18% | 0.179 | S | C | . | . | trans | 67.7 | -157.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 183 | N | 92.1 | Very high | 84.9 | Confident | 14 Ų | 14 | 29.4 Ų | 29.4 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | trans | -116.2 | 103.6 | 177.4 | 179.4 | 7.7 | 0 | 0 | 0 | 110.9 | Q118 N121 Y164 L177 F185 Y186 | Q118-N183 PolarHBondContact NE2-O 2.97Å; N121-N183 PolarHBondContact OD1-N 3.23Å; Y164-N183 PolarHBondContact OH-ND2 3.32Å; L177-N183 HydrophobicContact CD1-CB 4.27Å; N183-F185 PolarHBondContact O-N 2.94Å; N183-F185 VanDerWaalsContact O-N 3.14Å; N183-F185 PolarHBondContact OD1-N 3.42Å; N183-F185 VanDerWaalsContact OD1-N 3.11Å; N183-Y186 VanDerWaalsContact O-CB 3.29Å; N183-Y186 WeakPolarHBondContact O-CB 3.44Å; N183-Y186 PolarHBondContact O-N 2.86Å | ||
| 184 | M | 93 | Very high | 85.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -9.6 | -180 | 58.6 | -93.6 | -163.4 | 0 | 0 | 115.2 | F122 A142 E143 N173 Y176 L177 Y178 | F122-M184 HydrophobicContact CZ-CB 4.14Å; A142-M184 HydrophobicContact CB-CB 3.71Å; A142-M184 WeakPolarHBondContact CB-O 3.4Å; E143-M184 HydrophobicContact CB-CB 4.48Å; E143-M184 HydrophobicContact CB-CG 4.19Å; E143-M184 HydrophobicContact CG-CE 4.16Å; N173-M184 WeakPolarHBondContact ND2-CE 3.21Å; Y176-M184 HydrophobicContact CE2-CE 4.42Å; Y176-M184 WeakPolarHBondContact O-CE 3.45Å; L177-M184 HydrophobicContact CD2-CE 3.8Å; L177-M184 HydrophobicContact CD2-CG 4.29Å; L177-M184 HydrophobicContact CD2-SD 3.33Å; L177-M184 WeakPolarHBondContact CD2-SD 3.3Å; Y178-M184 HydrophobicContact CD2-CE 4.48Å |
| 185 | F | 88 | Confident | 87 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 10.8 | 175.5 | -51.1 | -80 | 0 | 0 | 0 | 113 | V139 Q168 S169 Y172 L177 N183 A187 E188 I189 | V139-F185 HydrophobicContact CG1-CD1 3.73Å; V139-F185 HydrophobicContact CG1-CE1 3.43Å; V139-F185 VanDerWaalsContact CG1-CE1 3.43Å; V139-F185 HydrophobicContact CG1-CZ 4.29Å; V139-F185 HydrophobicContact CG2-CD1 4.31Å; Q168-F185 HydrophobicContact CB-CB 4.08Å; Q168-F185 HydrophobicContact CB-CD1 3.78Å; Q168-F185 HydrophobicContact CB-CE1 4.49Å; Q168-F185 HydrophobicContact CB-CG 3.99Å; S169-F185 VanDerWaalsContact CA-CZ 3.48Å; Y172-F185 AromaticContact CD1-CE1 3.7Å; Y172-F185 HydrophobicContact CD1-CE1 3.7Å; Y172-F185 AromaticContact CD1-CZ 3.79Å; Y172-F185 HydrophobicContact CD1-CZ 3.79Å; Y172-F185 AromaticContact CG-CE1 3.8Å; Y172-F185 HydrophobicContact CG-CE1 3.8Å; Y172-F185 HydrophobicContact CG-CZ 4.27Å; L177-F185 HydrophobicContact CD2-CD2 3.95Å; L177-F185 HydrophobicContact CD2-CE2 3.91Å; N183-F185 PolarHBondContact O-N 2.94Å; N183-F185 VanDerWaalsContact O-N 3.14Å; N183-F185 PolarHBondContact OD1-N 3.42Å; N183-F185 VanDerWaalsContact OD1-N 3.11Å; F185-A187 PolarHBondContact O-N 3.12Å; F185-E188 PolarHBondContact O-N 3.31Å; F185-I189 HydrophobicContact CB-CD1 3.83Å; F185-I189 HydrophobicContact CB-CG1 4.28Å; F185-I189 VanDerWaalsContact O-CG1 3.29Å; F185-I189 WeakPolarHBondContact O-CG1 3.15Å; F185-I189 PolarHBondContact O-N 3.07Å |
| 186 | Y | 93.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | -167.5 | -171 | -97 | 0 | 0 | 0 | 112.8 | I59 T62 E63 I117 Y120 N121 N183 E188 I189 V190 | I59-Y186 HydrophobicContact CG1-CE1 4.42Å; T62-Y186 HydrophobicContact CG2-CD2 4.11Å; T62-Y186 HydrophobicContact CG2-CE2 3.7Å; E63-Y186 WeakPolarHBondContact OE1-CE2 3.46Å; E63-Y186 VanDerWaalsContact OE1-CZ 3.24Å; E63-Y186 PolarHBondContact OE1-OH 3.09Å; I117-Y186 HydrophobicContact CG2-CD1 4Å; I117-Y186 HydrophobicContact CG2-CE1 4.11Å; I117-Y186 VanDerWaalsContact O-CD1 3.32Å; I117-Y186 WeakPolarHBondContact O-CD1 3.48Å; I117-Y186 WeakPolarHBondContact O-CE1 3.5Å; Y120-Y186 HydrophobicContact CD1-CE1 4.23Å; Y120-Y186 VanDerWaalsContact CD1-OH 3.29Å; Y120-Y186 WeakPolarHBondContact CD1-OH 3.4Å; N121-Y186 HydrophobicContact CB-CD1 3.7Å; N121-Y186 HydrophobicContact CB-CD2 3.78Å; N121-Y186 HydrophobicContact CB-CE1 4.05Å; N121-Y186 HydrophobicContact CB-CE2 4.12Å; N121-Y186 HydrophobicContact CB-CG 3.54Å; N183-Y186 VanDerWaalsContact O-CB 3.29Å; N183-Y186 WeakPolarHBondContact O-CB 3.44Å; N183-Y186 PolarHBondContact O-N 2.86Å; Y186-E188 PolarHBondContact O-N 3.5Å; Y186-I189 PolarHBondContact O-N 2.87Å; Y186-V190 HydrophobicContact CD1-CG2 4.05Å; Y186-V190 HydrophobicContact CE1-CG2 3.72Å; Y186-V190 WeakPolarHBondContact O-CG2 3.39Å; Y186-V190 PolarHBondContact O-N 3.32Å |
| 187 | A | 91.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D114 I117 Q118 F185 I189 V190 Q191 | D114-A187 HydrophobicContact CB-CB 4Å; I117-A187 HydrophobicContact CB-CB 4.36Å; I117-A187 HydrophobicContact CG2-CB 4.26Å; Q118-A187 HydrophobicContact CB-CB 4.29Å; F185-A187 PolarHBondContact O-N 3.12Å; A187-I189 VanDerWaalsContact C-N 3.34Å; A187-I189 PolarHBondContact O-N 3.08Å; A187-V190 PolarHBondContact O-N 3.07Å; A187-Q191 WeakPolarHBondContact O-CB 3.29Å; A187-Q191 VanDerWaalsContact O-CG 3.3Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.9Å |
| 188 | E | 82.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 37.6 Ų | 37.6 | 42% | 0.421 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 178.2 | -62.5 | -164.4 | 142.2 | 0 | 0 | 112.7 | V139 Q168 F185 Y186 Q191 M192 | V139-E188 VanDerWaalsContact CG2-CD 3.43Å; V139-E188 HydrophobicContact CG2-CG 4.02Å; V139-E188 WeakPolarHBondContact CG2-OE1 3.42Å; Q168-E188 HydrophobicContact CG-CB 4.27Å; Q168-E188 WeakPolarHBondContact CG-OE2 3.38Å; F185-E188 PolarHBondContact O-N 3.31Å; Y186-E188 PolarHBondContact O-N 3.5Å; E188-Q191 PolarHBondContact O-N 3.23Å; E188-M192 WeakPolarHBondContact O-CB 3.46Å; E188-M192 PolarHBondContact O-N 3.12Å |
| 189 | I | 83.2 | Confident | 85.2 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 179 | -68.1 | 164.2 | 0 | 0 | 0 | 110.3 | T62 Q168 F185 Y186 A187 M192 N193 | T62-I189 HydrophobicContact CG2-CG2 3.71Å; Q168-I189 HydrophobicContact CG-CG1 4.3Å; F185-I189 HydrophobicContact CB-CD1 3.83Å; F185-I189 HydrophobicContact CB-CG1 4.28Å; F185-I189 VanDerWaalsContact O-CG1 3.29Å; F185-I189 WeakPolarHBondContact O-CG1 3.15Å; F185-I189 PolarHBondContact O-N 3.07Å; Y186-I189 PolarHBondContact O-N 2.87Å; A187-I189 VanDerWaalsContact C-N 3.34Å; A187-I189 PolarHBondContact O-N 3.08Å; I189-M192 PolarHBondContact O-N 3.12Å; I189-N193 WeakPolarHBondContact CG2-ND2 3.33Å; I189-N193 WeakPolarHBondContact O-CB 3.24Å; I189-N193 PolarHBondContact O-N 3.3Å; I189-N193 PolarHBondContact O-ND2 3.27Å; I189-N193 VanDerWaalsContact O-ND2 3.14Å |
| 190 | V | 91.8 | Very high | 84 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.1 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | V55 I59 T62 I117 Y186 A187 M192 N193 K194 | V55-V190 HydrophobicContact CG1-CG1 4.07Å; I59-V190 HydrophobicContact CG1-CG1 4Å; I59-V190 HydrophobicContact CG1-CG2 3.92Å; T62-V190 HydrophobicContact CG2-CG2 4.33Å; I117-V190 HydrophobicContact CD1-CG1 4.27Å; I117-V190 HydrophobicContact CG2-CB 3.65Å; I117-V190 HydrophobicContact CG2-CG1 3.68Å; I117-V190 HydrophobicContact CG2-CG2 3.82Å; Y186-V190 HydrophobicContact CD1-CG2 4.05Å; Y186-V190 HydrophobicContact CE1-CG2 3.72Å; Y186-V190 WeakPolarHBondContact O-CG2 3.39Å; Y186-V190 PolarHBondContact O-N 3.32Å; A187-V190 PolarHBondContact O-N 3.07Å; V190-M192 PolarHBondContact O-N 2.51Å; V190-N193 PolarHBondContact O-N 3.48Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 2.76Å |
| 191 | Q | 86.1 | Confident | 82.6 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 22% | 0.22 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.7 | -70.1 | -70.9 | 4.8 | 0 | 0 | 112.4 | D114 I117 A187 E188 K194 R195 | D114-Q191 PolarHBondContact OD1-NE2 3.06Å; I117-Q191 HydrophobicContact CD1-CG 4.44Å; A187-Q191 WeakPolarHBondContact O-CB 3.29Å; A187-Q191 VanDerWaalsContact O-CG 3.3Å; A187-Q191 WeakPolarHBondContact O-CG 3.46Å; A187-Q191 PolarHBondContact O-N 2.9Å; E188-Q191 PolarHBondContact O-N 3.23Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; Q191-R195 PolarHBondContact O-N 3.17Å |
| 192 | M | 80.8 | Confident | 80.9 | Confident | 58 Ų | 58 | 45 Ų | 45 | 29% | 0.286 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 171.7 | -179.4 | -172.1 | 66.4 | 0 | 0 | 111.5 | Q168 E188 I189 V190 R195 F196 | Q168-M192 PolarHBondContact NE2-SD 3.44Å; Q168-M192 VanDerWaalsContact NE2-SD 3.37Å; E188-M192 WeakPolarHBondContact O-CB 3.46Å; E188-M192 PolarHBondContact O-N 3.12Å; I189-M192 PolarHBondContact O-N 3.12Å; V190-M192 PolarHBondContact O-N 2.51Å; M192-R195 WeakPolarHBondContact O-CB 3.5Å; M192-R195 PolarHBondContact O-N 3.47Å; M192-F196 HydrophobicContact CE-CE2 4.18Å; M192-F196 HydrophobicContact CG-CE2 3.86Å; M192-F196 HydrophobicContact CG-CZ 4.09Å; M192-F196 PolarHBondContact O-N 3.42Å; M192-F196 HydrophobicContact SD-CE2 4.2Å; M192-F196 HydrophobicContact SD-CZ 4.37Å |
| 193 | N | 86.4 | Confident | 79.5 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 4% | 0.043 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -36.1 | -179.5 | -69 | -29.4 | 0 | 0 | 0 | 112 | Y61 T62 I189 V190 R195 F196 I197 | Y61-N193 HydrophobicContact CD1-CB 3.79Å; Y61-N193 WeakPolarHBondContact CD1-ND2 3.5Å; Y61-N193 WeakPolarHBondContact CD1-OD1 3.32Å; Y61-N193 HydrophobicContact CE1-CB 4.49Å; Y61-N193 WeakPolarHBondContact CE1-OD1 3.47Å; Y61-N193 HydrophobicContact CG-CB 4.18Å; T62-N193 PolarHBondContact OG1-ND2 3.29Å; I189-N193 WeakPolarHBondContact CG2-ND2 3.33Å; I189-N193 WeakPolarHBondContact O-CB 3.24Å; I189-N193 PolarHBondContact O-N 3.3Å; I189-N193 PolarHBondContact O-ND2 3.27Å; I189-N193 VanDerWaalsContact O-ND2 3.14Å; V190-N193 PolarHBondContact O-N 3.48Å; N193-R195 VanDerWaalsContact C-N 3.29Å; N193-R195 PolarHBondContact O-N 2.9Å; N193-F196 PolarHBondContact O-N 3.36Å; N193-F196 VanDerWaalsContact O-N 3.11Å; N193-I197 WeakPolarHBondContact O-CD1 3.04Å; N193-I197 VanDerWaalsContact O-CG1 3.31Å; N193-I197 WeakPolarHBondContact O-CG1 3.13Å; N193-I197 PolarHBondContact O-N 2.89Å |
| 194 | K | 85.8 | Confident | 78.1 | Confident | 65 Ų | 65 | 46.2 Ų | 46.2 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -51.5 | -47.2 | 168.1 | -177.2 | -163.2 | 176.5 | -174.4 | 0 | 110.9 | D54 V55 V190 Q191 F196 I197 T198 | D54-K194 HydrophobicContact CB-CG 3.83Å; V55-K194 HydrophobicContact CG2-CD 4.15Å; V190-K194 WeakPolarHBondContact O-CB 3.47Å; V190-K194 PolarHBondContact O-N 2.76Å; Q191-K194 WeakPolarHBondContact O-CB 3.35Å; K194-F196 PolarHBondContact O-N 2.85Å; K194-I197 WeakPolarHBondContact O-CB 3.24Å; K194-I197 PolarHBondContact O-N 3.17Å; K194-I197 VanDerWaalsContact O-N 3.1Å; K194-T198 PolarHBondContact O-N 3.12Å; K194-T198 PolarHBondContact O-OG1 3.29Å |
| 195 | R | 76.5 | Confident | 76.6 | Confident | 180 Ų | 180 | 50.3 Ų | 50.3 | 68% | 0.679 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.6 | -36.2 | 177.3 | -69 | 178.4 | -176.4 | -179 | 2.1 | 113.3 | Q191 M192 N193 I197 T198 M199 | Q191-R195 PolarHBondContact O-N 3.17Å; M192-R195 WeakPolarHBondContact O-CB 3.5Å; M192-R195 PolarHBondContact O-N 3.47Å; N193-R195 VanDerWaalsContact C-N 3.29Å; N193-R195 PolarHBondContact O-N 2.9Å; R195-I197 VanDerWaalsContact C-N 3.35Å; R195-T198 PolarHBondContact O-OG1 3.08Å; R195-M199 WeakPolarHBondContact O-CB 3.33Å; R195-M199 PolarHBondContact O-N 2.73Å |
| 196 | F | 76.8 | Confident | 75.5 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 171.2 | -62.1 | -43.5 | 0 | 0 | 0 | 111 | I26 M192 N193 K194 M199 F200 | I26-F196 HydrophobicContact CD1-CE2 4.48Å; I26-F196 HydrophobicContact CD1-CZ 4.23Å; I26-F196 HydrophobicContact CG2-CB 4.13Å; I26-F196 HydrophobicContact CG2-CD1 4.07Å; I26-F196 HydrophobicContact CG2-CD2 4.04Å; I26-F196 HydrophobicContact CG2-CE2 4.49Å; I26-F196 HydrophobicContact CG2-CG 3.83Å; M192-F196 HydrophobicContact CE-CE2 4.18Å; M192-F196 HydrophobicContact CG-CE2 3.86Å; M192-F196 HydrophobicContact CG-CZ 4.09Å; M192-F196 PolarHBondContact O-N 3.42Å; M192-F196 HydrophobicContact SD-CE2 4.2Å; M192-F196 HydrophobicContact SD-CZ 4.37Å; N193-F196 PolarHBondContact O-N 3.36Å; N193-F196 VanDerWaalsContact O-N 3.11Å; K194-F196 PolarHBondContact O-N 2.85Å; F196-M199 PolarHBondContact O-N 3.34Å; F196-F200 HydrophobicContact CB-CD2 4.44Å; F196-F200 WeakPolarHBondContact O-CD2 3.13Å; F196-F200 PolarHBondContact O-N 2.77Å |
| 197 | I | 79.2 | Confident | 74.5 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | -179.5 | -71.4 | 157.4 | 0 | 0 | 0 | 112 | T30 V33 N34 L57 G58 N193 K194 R195 F200 Q201 | T30-I197 HydrophobicContact CG2-CB 4.35Å; T30-I197 HydrophobicContact CG2-CG1 3.93Å; V33-I197 HydrophobicContact CG1-CD1 4.11Å; V33-I197 HydrophobicContact CG1-CG1 4.38Å; N34-I197 PolarHBondContact ND2-O 3.21Å; L57-I197 HydrophobicContact CB-CD1 3.88Å; L57-I197 HydrophobicContact CB-CG2 4.07Å; L57-I197 HydrophobicContact CD1-CG2 4.14Å; L57-I197 VanDerWaalsContact O-CD1 3.27Å; L57-I197 WeakPolarHBondContact O-CD1 3.42Å; G58-I197 VanDerWaalsContact N-CD1 3.32Å; N193-I197 WeakPolarHBondContact O-CD1 3.04Å; N193-I197 VanDerWaalsContact O-CG1 3.31Å; N193-I197 WeakPolarHBondContact O-CG1 3.13Å; N193-I197 PolarHBondContact O-N 2.89Å; K194-I197 WeakPolarHBondContact O-CB 3.24Å; K194-I197 PolarHBondContact O-N 3.17Å; K194-I197 VanDerWaalsContact O-N 3.1Å; R195-I197 VanDerWaalsContact C-N 3.35Å; I197-F200 CarbonylContact O-C 3.57Å; I197-Q201 WeakPolarHBondContact O-CG 3.32Å; I197-Q201 PolarHBondContact O-N 2.64Å |
| 198 | T | 73.4 | Confident | 73.7 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 173.4 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | D54 K194 R195 F200 Q201 | D54-T198 HydrophobicContact CB-CG2 4.2Å; K194-T198 PolarHBondContact O-N 3.12Å; K194-T198 PolarHBondContact O-OG1 3.29Å; R195-T198 PolarHBondContact O-OG1 3.08Å; T198-F200 PolarHBondContact O-N 3.33Å; T198-Q201 WeakPolarHBondContact O-CB 3.29Å; T198-Q201 PolarHBondContact O-N 3.46Å |
| 199 | M | 63 | Low | 73.4 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59 | -29.9 | 177.5 | 178.1 | 175.8 | -78 | 0 | 0 | 113.6 | R195 F196 | R195-M199 WeakPolarHBondContact O-CB 3.33Å; R195-M199 PolarHBondContact O-N 2.73Å; F196-M199 PolarHBondContact O-N 3.34Å |
| 200 | F | 64.9 | Low | 73.3 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 25% | 0.25 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 20.6 | 175.2 | -60.3 | -66.9 | 0 | 0 | 0 | 113.2 | I26 Y27 T30 N34 F196 I197 T198 R202 | I26-F200 HydrophobicContact CG2-CE2 3.85Å; Y27-F200 AromaticContact CD2-CD1 3.95Å; Y27-F200 HydrophobicContact CD2-CD1 3.95Å; Y27-F200 HydrophobicContact CD2-CE1 4.07Å; T30-F200 HydrophobicContact CG2-CB 3.7Å; T30-F200 HydrophobicContact CG2-CD2 4.01Å; T30-F200 HydrophobicContact CG2-CG 4.32Å; N34-F200 PolarHBondContact ND2-O 3.1Å; F196-F200 HydrophobicContact CB-CD2 4.44Å; F196-F200 WeakPolarHBondContact O-CD2 3.13Å; F196-F200 PolarHBondContact O-N 2.77Å; I197-F200 CarbonylContact O-C 3.57Å; T198-F200 PolarHBondContact O-N 3.33Å; F200-R202 PolarHBondContact O-N 2.93Å; F200-R202 VanDerWaalsContact O-N 3.13Å |
| 201 | Q | 61.3 | Low | 73 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -60 | 118.8 | 165.6 | -87.4 | -174 | 25.9 | 0 | 0 | 108 | D54 I197 T198 | D54-Q201 PolarHBondContact OD1-NE2 3.38Å; D54-Q201 VanDerWaalsContact OD1-NE2 3.12Å; D54-Q201 PolarHBondContact OD2-NE2 2.83Å; I197-Q201 WeakPolarHBondContact O-CG 3.32Å; I197-Q201 PolarHBondContact O-N 2.64Å; T198-Q201 WeakPolarHBondContact O-CB 3.29Å; T198-Q201 PolarHBondContact O-N 3.46Å |
| 202 | R | 57.7 | Low | 72.9 | Confident | 150 Ų | 150 | 57.8 Ų | 57.8 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 141.5 | 172.2 | -75.4 | -176.1 | 165.1 | -147.1 | -10 | 109 | Y27 F200 | Y27-R202 PolarHBondContact OH-NH2 3.05Å; Y27-R202 VanDerWaalsContact OH-NH2 3.07Å; F200-R202 PolarHBondContact O-N 2.93Å; F200-R202 VanDerWaalsContact O-N 3.13Å |
| 203 | I | 61.7 | Low | 73 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 128.9 | 155.2 | -53.8 | 168.5 | 0 | 0 | 0 | 106.5 | V207 I208 V284 L295 I297 I299 | I203-V207 HydrophobicContact CG2-CB 3.7Å; I203-V207 HydrophobicContact CG2-CG1 3.59Å; I203-I208 HydrophobicContact CB-CD1 4.24Å; I203-I208 HydrophobicContact CB-CG1 3.88Å; I203-I208 HydrophobicContact CG2-CG1 3.72Å; I203-I208 WeakPolarHBondContact O-CD1 3.49Å; I203-V284 HydrophobicContact CD1-CB 3.42Å; I203-V284 VanDerWaalsContact CD1-CB 3.42Å; I203-V284 HydrophobicContact CD1-CG1 3.36Å; I203-V284 HydrophobicContact CD1-CG2 4.32Å; I203-V284 HydrophobicContact CG2-CG1 4.43Å; I203-L295 HydrophobicContact CD1-CD1 3.65Å; I203-L295 HydrophobicContact CD1-CD2 4.15Å; I203-L295 HydrophobicContact CG1-CD1 4.02Å; I203-L295 HydrophobicContact CG1-CD2 4.45Å; I203-L295 HydrophobicContact CG2-CD2 3.89Å; I203-I297 HydrophobicContact CB-CD1 4.36Å; I203-I297 HydrophobicContact CG1-CD1 3.6Å; I203-I297 HydrophobicContact CG1-CG1 4.36Å; I203-I299 HydrophobicContact CD1-CD1 4.03Å; I203-I299 HydrophobicContact CG1-CD1 4.23Å |
| 204 | P | 62.9 | Low | 73 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 143.5 | 175.7 | -24.9 | 34 | 0 | 0 | 0 | 110.8 | Q206 V207 I208 | P204-Q206 PolarHBondContact O-N 3.02Å; P204-V207 HydrophobicContact CB-CB 4.46Å; P204-V207 HydrophobicContact CB-CG2 4.13Å; P204-V207 HydrophobicContact CG-CG2 4.15Å; P204-V207 WeakPolarHBondContact O-CA 3.41Å; P204-V207 PolarHBondContact O-N 2.85Å; P204-I208 PolarHBondContact O-N 2.84Å |
| 205 | Q | 61.5 | Low | 73.2 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 41% | 0.407 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.2 | -42.7 | -178.2 | -171 | 59.6 | 47.4 | 0 | 0 | 111.6 | V207 I208 D209 | Q205-V207 VanDerWaalsContact C-N 3.25Å; Q205-V207 PolarHBondContact O-N 2.59Å; Q205-I208 WeakPolarHBondContact O-CA 3.5Å; Q205-I208 WeakPolarHBondContact O-CB 3.37Å; Q205-I208 PolarHBondContact O-N 3.31Å; Q205-I208 VanDerWaalsContact O-N 3.07Å; Q205-D209 PolarHBondContact NE2-OD1 3.27Å; Q205-D209 PolarHBondContact O-N 3.34Å; Q205-D209 VanDerWaalsContact O-OD2 3.13Å |
| 206 | Q | 64.3 | Low | 73.9 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.7 | -34.8 | 174.2 | -174 | 178.4 | -1.1 | 0 | 0 | 114.1 | P204 E210 | P204-Q206 PolarHBondContact O-N 3.02Å; Q206-E210 VanDerWaalsContact O-CB 3.28Å; Q206-E210 WeakPolarHBondContact O-CB 3.38Å; Q206-E210 PolarHBondContact O-N 3.4Å |
| 207 | V | 72.7 | Confident | 74.6 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.1 | -34.9 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I203 P204 Q205 D209 V211 L295 | I203-V207 HydrophobicContact CG2-CB 3.7Å; I203-V207 HydrophobicContact CG2-CG1 3.59Å; P204-V207 HydrophobicContact CB-CB 4.46Å; P204-V207 HydrophobicContact CB-CG2 4.13Å; P204-V207 HydrophobicContact CG-CG2 4.15Å; P204-V207 WeakPolarHBondContact O-CA 3.41Å; P204-V207 PolarHBondContact O-N 2.85Å; Q205-V207 VanDerWaalsContact C-N 3.25Å; Q205-V207 PolarHBondContact O-N 2.59Å; V207-D209 VanDerWaalsContact C-N 3.31Å; V207-V211 HydrophobicContact CG1-CG2 4.39Å; V207-V211 WeakPolarHBondContact O-CB 3.27Å; V207-V211 WeakPolarHBondContact O-CG2 3.44Å; V207-V211 PolarHBondContact O-N 2.89Å; V207-L295 HydrophobicContact CG1-CD2 3.64Å |
| 208 | I | 74.9 | Confident | 75.3 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 169.2 | -64.3 | 162 | 0 | 0 | 0 | 109.4 | I203 P204 Q205 V211 R212 Y269 F280 V284 | I203-I208 HydrophobicContact CB-CD1 4.24Å; I203-I208 HydrophobicContact CB-CG1 3.88Å; I203-I208 HydrophobicContact CG2-CG1 3.72Å; I203-I208 WeakPolarHBondContact O-CD1 3.49Å; P204-I208 PolarHBondContact O-N 2.84Å; Q205-I208 WeakPolarHBondContact O-CA 3.5Å; Q205-I208 WeakPolarHBondContact O-CB 3.37Å; Q205-I208 PolarHBondContact O-N 3.31Å; Q205-I208 VanDerWaalsContact O-N 3.07Å; I208-V211 PolarHBondContact O-N 2.94Å; I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 PolarHBondContact O-N 2.84Å; I208-Y269 HydrophobicContact CG2-CE2 3.76Å; I208-Y269 PolarHBondContact O-OH 2.85Å; I208-F280 HydrophobicContact CD1-CE1 3.85Å; I208-F280 HydrophobicContact CD1-CZ 4.41Å; I208-F280 HydrophobicContact CG1-CE1 4.43Å; I208-F280 HydrophobicContact CG2-CE1 4.33Å; I208-F280 HydrophobicContact CG2-CZ 3.84Å; I208-V284 HydrophobicContact CG1-CG1 4.15Å; I208-V284 HydrophobicContact CG1-CG2 4.3Å; I208-V284 HydrophobicContact CG2-CG2 4.23Å |
| 209 | D | 76.4 | Confident | 76.1 | Confident | 31 Ų | 31 | 60 Ų | 60 | 17% | 0.166 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68 | -43.3 | -177.2 | -56.1 | -24.5 | 0 | 0 | 0 | 110.7 | Q205 V207 V211 R212 E213 | Q205-D209 PolarHBondContact NE2-OD1 3.27Å; Q205-D209 PolarHBondContact O-N 3.34Å; Q205-D209 VanDerWaalsContact O-OD2 3.13Å; V207-D209 VanDerWaalsContact C-N 3.31Å; D209-V211 PolarHBondContact O-N 2.94Å; D209-R212 PolarHBondContact O-N 3.28Å; D209-R212 IonicContact OD1-CZ 2.83Å; D209-R212 IonicContact OD1-NH1 3.41Å; D209-R212 IonicContact OD1-NH2 2.7Å; D209-R212 PolarHBondContact OD1-NH2 2.83Å; D209-E213 WeakPolarHBondContact O-CB 3.12Å; D209-E213 WeakPolarHBondContact O-CG 3.26Å; D209-E213 PolarHBondContact O-N 3.04Å |
| 210 | E | 82.1 | Confident | 77.3 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 174.6 | 179.3 | -179.7 | 178.7 | 0 | 0 | 112.9 | Q206 R212 E213 K214 | Q206-E210 VanDerWaalsContact O-CB 3.28Å; Q206-E210 WeakPolarHBondContact O-CB 3.38Å; Q206-E210 PolarHBondContact O-N 3.4Å; E210-R212 VanDerWaalsContact C-N 3.31Å; E210-R212 PolarHBondContact O-N 3.01Å; E210-E213 PolarHBondContact O-N 2.79Å; E210-K214 HydrophobicContact CG-CD 4.08Å; E210-K214 WeakPolarHBondContact O-CG 3.27Å; E210-K214 PolarHBondContact O-N 3.29Å; E210-K214 VanDerWaalsContact O-N 3.13Å; E210-K214 IonicContact OE1-NZ 3.62Å; E210-K214 PolarHBondContact OE1-NZ 3.1Å |
| 211 | V | 85 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 109.9 | V207 I208 D209 K214 T215 Y269 V284 V287 A288 I293 L295 | V207-V211 HydrophobicContact CG1-CG2 4.39Å; V207-V211 WeakPolarHBondContact O-CB 3.27Å; V207-V211 WeakPolarHBondContact O-CG2 3.44Å; V207-V211 PolarHBondContact O-N 2.89Å; I208-V211 PolarHBondContact O-N 2.94Å; D209-V211 PolarHBondContact O-N 2.94Å; V211-K214 PolarHBondContact O-N 3.42Å; V211-T215 PolarHBondContact O-N 3.38Å; V211-T215 PolarHBondContact O-OG1 3.13Å; V211-Y269 WeakPolarHBondContact CB-OH 3.38Å; V211-Y269 HydrophobicContact CG1-CE1 4.22Å; V211-Y269 VanDerWaalsContact CG1-OH 3.29Å; V211-Y269 WeakPolarHBondContact CG1-OH 3.38Å; V211-V284 HydrophobicContact CG1-CG1 4.39Å; V211-V287 HydrophobicContact CG1-CB 3.87Å; V211-V287 HydrophobicContact CG1-CG1 3.54Å; V211-A288 HydrophobicContact CG1-CB 4.08Å; V211-A288 HydrophobicContact CG2-CB 3.78Å; V211-I293 HydrophobicContact CB-CD1 4.29Å; V211-I293 HydrophobicContact CG2-CB 4.15Å; V211-I293 HydrophobicContact CG2-CD1 3.97Å; V211-I293 HydrophobicContact CG2-CG2 3.76Å; V211-L295 HydrophobicContact CG2-CD2 4.06Å |
| 212 | R | 83.2 | Confident | 79.9 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.3 | -38.9 | 179.6 | -170.4 | -172.8 | 59.8 | -136.2 | -20.3 | 113 | I208 D209 E210 K214 T215 Y269 A720 D721 N724 | I208-R212 WeakPolarHBondContact O-CB 3.46Å; I208-R212 PolarHBondContact O-N 2.84Å; D209-R212 PolarHBondContact O-N 3.28Å; D209-R212 IonicContact OD1-CZ 2.83Å; D209-R212 IonicContact OD1-NH1 3.41Å; D209-R212 IonicContact OD1-NH2 2.7Å; D209-R212 PolarHBondContact OD1-NH2 2.83Å; E210-R212 VanDerWaalsContact C-N 3.31Å; E210-R212 PolarHBondContact O-N 3.01Å; R212-K214 VanDerWaalsContact C-N 3.31Å; R212-T215 PolarHBondContact O-N 3.22Å; R212-Y269 HydrophobicContact CB-CE2 3.91Å; R212-Y269 WeakPolarHBondContact CB-OH 3.42Å; R212-Y269 HydrophobicContact CG-CE2 4.23Å; R212-Y269 PolarHBondContact N-OH 2.81Å; R212-A720 PolarHBondContact NH1-O 3.24Å; R212-D721 IonicContact CZ-OD1 3.41Å; R212-D721 IonicContact CZ-OD2 2.79Å; R212-D721 VanDerWaalsContact NH1-CG 3.32Å; R212-D721 IonicContact NH1-OD1 2.74Å; R212-D721 PolarHBondContact NH1-OD1 2.84Å; R212-D721 IonicContact NH1-OD2 3.52Å; R212-D721 IonicContact NH2-OD1 3.31Å; R212-D721 PolarHBondContact NH2-OD1 3.19Å; R212-D721 IonicContact NH2-OD2 3.51Å; R212-D721 PolarHBondContact NH2-OD2 3.26Å; R212-N724 PolarHBondContact NH1-ND2 3.48Å |
| 213 | E | 83 | Confident | 81.1 | Confident | 147 Ų | 147 | 46.7 Ų | 46.7 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -67.6 | -31.1 | 179.1 | -78.3 | -178.4 | 178.7 | 0 | 0 | 112.8 | D209 E210 | D209-E213 WeakPolarHBondContact O-CB 3.12Å; D209-E213 WeakPolarHBondContact O-CG 3.26Å; D209-E213 PolarHBondContact O-N 3.04Å; E210-E213 PolarHBondContact O-N 2.79Å |
| 214 | K | 87.2 | Confident | 82.3 | Confident | 120 Ų | 120 | 47.1 Ų | 47.1 | 52% | 0.522 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -81.5 | -26 | 177.2 | -74.2 | 173.7 | 174.3 | 176.5 | 0 | 113.4 | E210 V211 R212 I293 | E210-K214 HydrophobicContact CG-CD 4.08Å; E210-K214 WeakPolarHBondContact O-CG 3.27Å; E210-K214 PolarHBondContact O-N 3.29Å; E210-K214 VanDerWaalsContact O-N 3.13Å; E210-K214 IonicContact OE1-NZ 3.62Å; E210-K214 PolarHBondContact OE1-NZ 3.1Å; V211-K214 PolarHBondContact O-N 3.42Å; R212-K214 VanDerWaalsContact C-N 3.31Å; K214-I293 HydrophobicContact CB-CD1 3.85Å; K214-I293 HydrophobicContact CD-CD1 3.56Å; K214-I293 HydrophobicContact CD-CG1 4.18Å; K214-I293 HydrophobicContact CG-CD1 4.33Å |
| 215 | T | 89 | Confident | 83.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | trans | -83.4 | 130.2 | 180 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | V211 R212 V220 Q255 V268 V287 E291 | V211-T215 PolarHBondContact O-N 3.38Å; V211-T215 PolarHBondContact O-OG1 3.13Å; R212-T215 PolarHBondContact O-N 3.22Å; T215-V220 HydrophobicContact CG2-CB 4.41Å; T215-V220 HydrophobicContact CG2-CG2 3.49Å; T215-V220 VanDerWaalsContact CG2-CG2 3.49Å; T215-Q255 PolarHBondContact O-OE1 2.99Å; T215-V268 HydrophobicContact CG2-CB 4.47Å; T215-V268 HydrophobicContact CG2-CG1 4.3Å; T215-V268 HydrophobicContact CG2-CG2 4.03Å; T215-V287 HydrophobicContact CG2-CG1 3.85Å; T215-V287 WeakPolarHBondContact OG1-CG1 3.45Å; T215-E291 VanDerWaalsContact CA-OE1 3.32Å; T215-E291 WeakPolarHBondContact CA-OE1 3.28Å; T215-E291 WeakPolarHBondContact CB-OE1 3.38Å; T215-E291 VanDerWaalsContact OG1-CD 3.31Å; T215-E291 WeakPolarHBondContact OG1-CG 3.43Å; T215-E291 PolarHBondContact OG1-OE1 3.2Å | ||
| 216 | N | 91.7 | Very high | 84.7 | Confident | 29 Ų | 29 | 42.5 Ų | 42.5 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | trans | -85.8 | 114.1 | 163.1 | -172.4 | -3.5 | 0 | 0 | 0 | 110.8 | V218 E219 V220 E252 Q255 | N216-V218 PolarHBondContact O-N 3.28Å; N216-V218 VanDerWaalsContact O-N 3.12Å; N216-V218 WeakPolarHBondContact OD1-CB 3.42Å; N216-V218 PolarHBondContact OD1-N 2.92Å; N216-E219 HydrophobicContact CB-CB 4.26Å; N216-E219 HydrophobicContact CB-CG 3.98Å; N216-E219 PolarHBondContact ND2-OE1 3.34Å; N216-E219 VanDerWaalsContact ND2-OE1 3.1Å; N216-E219 WeakPolarHBondContact O-CB 3.39Å; N216-E219 PolarHBondContact O-N 3.22Å; N216-V220 PolarHBondContact O-N 2.82Å; N216-E252 PolarHBondContact ND2-OE1 2.82Å; N216-Q255 PolarHBondContact OD1-NE2 3.28Å | ||
| 217 | I | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.9 | -29.8 | 176.5 | -163.4 | 170.2 | 0 | 0 | 0 | 113 | E219 I221 V250 Q255 F257 V268 | I217-E219 VanDerWaalsContact C-N 3.27Å; I217-E219 PolarHBondContact O-N 3.23Å; I217-I221 HydrophobicContact CD1-CD1 3.95Å; I217-I221 HydrophobicContact CG1-CD1 3.62Å; I217-I221 HydrophobicContact CG1-CG1 3.95Å; I217-I221 VanDerWaalsContact O-CB 3.26Å; I217-I221 WeakPolarHBondContact O-CB 3.38Å; I217-I221 VanDerWaalsContact O-CG1 3.27Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 2.7Å; I217-V250 HydrophobicContact CG2-CG1 3.71Å; I217-Q255 VanDerWaalsContact CB-OE1 3.29Å; I217-Q255 WeakPolarHBondContact CD1-O 3.5Å; I217-F257 HydrophobicContact CD1-CD1 4.32Å; I217-V268 HydrophobicContact CB-CB 4.5Å; I217-V268 HydrophobicContact CD1-CB 4.35Å; I217-V268 HydrophobicContact CG1-CB 4.05Å |
| 218 | V | 92.9 | Very high | 86.8 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 10% | 0.103 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -31.1 | 177.4 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | N216 G222 L227 Y234 V250 E252 | N216-V218 PolarHBondContact O-N 3.28Å; N216-V218 VanDerWaalsContact O-N 3.12Å; N216-V218 WeakPolarHBondContact OD1-CB 3.42Å; N216-V218 PolarHBondContact OD1-N 2.92Å; V218-G222 PolarHBondContact O-N 2.85Å; V218-L227 HydrophobicContact CG1-CD1 4.05Å; V218-Y234 HydrophobicContact CG1-CD1 4.2Å; V218-Y234 HydrophobicContact CG1-CD2 4.04Å; V218-Y234 HydrophobicContact CG1-CE1 4.17Å; V218-Y234 HydrophobicContact CG1-CE2 4.03Å; V218-Y234 HydrophobicContact CG1-CG 4.15Å; V218-Y234 HydrophobicContact CG2-CD2 3.75Å; V218-Y234 HydrophobicContact CG2-CE2 3.77Å; V218-V250 HydrophobicContact CG2-CG1 3.79Å; V218-E252 HydrophobicContact CG2-CB 3.65Å; V218-E252 HydrophobicContact CG2-CG 3.75Å |
| 219 | E | 90.6 | Very high | 87.6 | Confident | 123 Ų | 123 | 48 Ų | 48 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -80.1 | -38 | 179.8 | -65.5 | 175.5 | -142.7 | 0 | 0 | 111.4 | N216 I217 G222 | N216-E219 HydrophobicContact CB-CB 4.26Å; N216-E219 HydrophobicContact CB-CG 3.98Å; N216-E219 PolarHBondContact ND2-OE1 3.34Å; N216-E219 VanDerWaalsContact ND2-OE1 3.1Å; N216-E219 WeakPolarHBondContact O-CB 3.39Å; N216-E219 PolarHBondContact O-N 3.22Å; I217-E219 VanDerWaalsContact C-N 3.27Å; I217-E219 PolarHBondContact O-N 3.23Å; E219-G222 CarbonylContact O-C 3.48Å; E219-G222 VanDerWaalsContact O-C 3.22Å; E219-G222 WeakPolarHBondContact O-CA 3.34Å; E219-G222 PolarHBondContact O-N 2.74Å |
| 220 | V | 89 | Confident | 88.2 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77.8 | -27.1 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | T215 N216 G222 Y224 V268 L272 M290 | T215-V220 HydrophobicContact CG2-CB 4.41Å; T215-V220 HydrophobicContact CG2-CG2 3.49Å; T215-V220 VanDerWaalsContact CG2-CG2 3.49Å; N216-V220 PolarHBondContact O-N 2.82Å; V220-G222 VanDerWaalsContact C-N 3.34Å; V220-G222 CarbonylContact C-O 3.56Å; V220-Y224 WeakPolarHBondContact O-CD2 3.38Å; V220-Y224 WeakPolarHBondContact O-CE2 3.43Å; V220-V268 HydrophobicContact CB-CG2 3.71Å; V220-V268 HydrophobicContact CG1-CG2 3.49Å; V220-V268 VanDerWaalsContact CG1-CG2 3.49Å; V220-V268 HydrophobicContact CG2-CG2 4.13Å; V220-L272 HydrophobicContact CG1-CD1 4.38Å; V220-L272 HydrophobicContact CG1-CD2 4.32Å; V220-L272 HydrophobicContact CG1-CG 4.47Å; V220-M290 HydrophobicContact CG1-SD 4.01Å; V220-M290 HydrophobicContact CG2-SD 4.15Å |
| 221 | I | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -84.3 | -18.6 | 167.4 | -62.5 | -174 | 0 | 0 | 0 | 110.9 | I217 V225 L227 F248 V250 F257 F271 | I217-I221 HydrophobicContact CD1-CD1 3.95Å; I217-I221 HydrophobicContact CG1-CD1 3.62Å; I217-I221 HydrophobicContact CG1-CG1 3.95Å; I217-I221 VanDerWaalsContact O-CB 3.26Å; I217-I221 WeakPolarHBondContact O-CB 3.38Å; I217-I221 VanDerWaalsContact O-CG1 3.27Å; I217-I221 WeakPolarHBondContact O-CG1 3.29Å; I217-I221 PolarHBondContact O-N 2.7Å; I221-V225 HydrophobicContact CG2-CB 4.17Å; I221-V225 HydrophobicContact CG2-CG2 4.28Å; I221-V225 PolarHBondContact O-N 2.88Å; I221-L227 HydrophobicContact CB-CD1 4.27Å; I221-L227 HydrophobicContact CG2-CD1 3.96Å; I221-L227 HydrophobicContact CG2-CD2 4.3Å; I221-L227 HydrophobicContact CG2-CG 4.42Å; I221-F248 HydrophobicContact CD1-CE1 4.08Å; I221-F248 HydrophobicContact CD1-CZ 4.21Å; I221-F248 HydrophobicContact CG2-CE1 3.71Å; I221-F248 HydrophobicContact CG2-CZ 4.41Å; I221-V250 HydrophobicContact CB-CG2 4.39Å; I221-V250 HydrophobicContact CD1-CG1 4.36Å; I221-V250 HydrophobicContact CD1-CG2 3.96Å; I221-V250 HydrophobicContact CG2-CG2 3.9Å; I221-F257 HydrophobicContact CD1-CB 3.66Å; I221-F257 HydrophobicContact CD1-CD1 4.05Å; I221-F257 HydrophobicContact CD1-CG 4.05Å; I221-F271 HydrophobicContact CB-CE1 4.45Å; I221-F271 HydrophobicContact CB-CE2 4.41Å; I221-F271 HydrophobicContact CB-CZ 4.23Å; I221-F271 HydrophobicContact CD1-CB 4.34Å; I221-F271 HydrophobicContact CD1-CD1 4.44Å; I221-F271 HydrophobicContact CD1-CD2 3.63Å; I221-F271 HydrophobicContact CD1-CE2 3.99Å; I221-F271 HydrophobicContact CD1-CG 3.88Å; I221-F271 HydrophobicContact CG1-CD1 3.79Å; I221-F271 HydrophobicContact CG1-CD2 3.76Å; I221-F271 HydrophobicContact CG1-CE1 3.85Å; I221-F271 HydrophobicContact CG1-CE2 3.82Å; I221-F271 HydrophobicContact CG1-CG 3.74Å; I221-F271 HydrophobicContact CG1-CZ 3.87Å; I221-F271 HydrophobicContact CG2-CE2 3.98Å; I221-F271 HydrophobicContact CG2-CZ 4.02Å |
| 222 | G | 88.6 | Confident | 88.6 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 178 | 139 | 0 | 0 | 0 | 0 | 0 | 111.9 | V218 E219 V220 Y224 | V218-G222 PolarHBondContact O-N 2.85Å; E219-G222 CarbonylContact O-C 3.48Å; E219-G222 VanDerWaalsContact O-C 3.22Å; E219-G222 WeakPolarHBondContact O-CA 3.34Å; E219-G222 PolarHBondContact O-N 2.74Å; V220-G222 VanDerWaalsContact C-N 3.34Å; V220-G222 CarbonylContact C-O 3.56Å; G222-Y224 VanDerWaalsContact O-CD2 3.29Å; G222-Y224 WeakPolarHBondContact O-CD2 3.45Å; G222-Y224 PolarHBondContact O-N 3.18Å |
| 223 | Q | 84 | Confident | 89 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -34.8 | -164.5 | -40.8 | 179.3 | 43.4 | 0 | 0 | 115.7 | M290 R457 R461 | Q223-M290 PolarHBondContact NE2-SD 3.11Å; Q223-R457 WeakPolarHBondContact O-CD 3.25Å; Q223-R457 WeakPolarHBondContact O-CG 3.33Å; Q223-R457 PolarHBondContact O-NE 3.41Å; Q223-R461 VanDerWaalsContact C-CD 3.49Å; Q223-R461 VanDerWaalsContact N-CZ 3.31Å; Q223-R461 WeakPolarHBondContact O-CD 3.37Å |
| 224 | Y | 86.3 | Confident | 89.5 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -49.2 | -173.4 | -52.9 | -88.5 | 0 | 0 | 0 | 114.3 | V220 G222 F271 L272 L275 E276 K286 R461 | V220-Y224 WeakPolarHBondContact O-CD2 3.38Å; V220-Y224 WeakPolarHBondContact O-CE2 3.43Å; G222-Y224 VanDerWaalsContact O-CD2 3.29Å; G222-Y224 WeakPolarHBondContact O-CD2 3.45Å; G222-Y224 PolarHBondContact O-N 3.18Å; Y224-F271 AromaticContact CD2-CE1 3.8Å; Y224-F271 HydrophobicContact CD2-CE1 3.8Å; Y224-F271 HydrophobicContact CD2-CZ 4.34Å; Y224-F271 HydrophobicContact CE2-CE1 4.22Å; Y224-F271 HydrophobicContact CG-CE1 4.31Å; Y224-L272 HydrophobicContact CE2-CD2 3.92Å; Y224-L272 WeakPolarHBondContact OH-CD2 3.17Å; Y224-L275 HydrophobicContact CD1-CD2 3.31Å; Y224-L275 HydrophobicContact CD2-CD2 4.09Å; Y224-L275 HydrophobicContact CE1-CD2 3.5Å; Y224-L275 VanDerWaalsContact CE1-CD2 3.5Å; Y224-L275 HydrophobicContact CE2-CD2 4.3Å; Y224-L275 HydrophobicContact CG-CD2 3.59Å; Y224-E276 WeakPolarHBondContact CE1-OE1 3.48Å; Y224-E276 PolarHBondContact OH-OE1 3.26Å; Y224-K286 WeakPolarHBondContact OH-CE 3.4Å; Y224-R461 PolarHBondContact O-NH1 3.49Å |
| 225 | V | 88.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -112.4 | 135.4 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | I221 L227 L237 P239 F271 R461 R504 | I221-V225 HydrophobicContact CG2-CB 4.17Å; I221-V225 HydrophobicContact CG2-CG2 4.28Å; I221-V225 PolarHBondContact O-N 2.88Å; V225-L227 HydrophobicContact CB-CD2 4.47Å; V225-L227 HydrophobicContact CG1-CD2 4.07Å; V225-L227 PolarHBondContact O-N 3.33Å; V225-L237 VanDerWaalsContact CG1-O 3.26Å; V225-L237 WeakPolarHBondContact CG1-O 3.49Å; V225-P239 HydrophobicContact CG2-CB 4.08Å; V225-P239 HydrophobicContact CG2-CG 3.8Å; V225-F271 HydrophobicContact CG2-CZ 4.49Å; V225-R461 VanDerWaalsContact O-CZ 3.31Å; V225-R461 PolarHBondContact O-NH1 3.32Å; V225-R461 PolarHBondContact O-NH2 2.89Å; V225-R504 CarbonylContact C-O 3.46Å |
| 226 | Q | 86.1 | Confident | 89.9 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | trans | -72.8 | 110.8 | 171.5 | -175.6 | -177.6 | 89.6 | 0 | 0 | 108.5 | G236 R504 | Q226-G236 WeakPolarHBondContact O-CA 3.38Å; Q226-R504 PolarHBondContact N-O 3.31Å | ||
| 227 | L | 91.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | trans | -101.4 | 131 | -177.4 | -70 | -177.6 | 0 | 0 | 0 | 110.9 | V218 I221 V225 V250 | V218-L227 HydrophobicContact CG1-CD1 4.05Å; I221-L227 HydrophobicContact CB-CD1 4.27Å; I221-L227 HydrophobicContact CG2-CD1 3.96Å; I221-L227 HydrophobicContact CG2-CD2 4.3Å; I221-L227 HydrophobicContact CG2-CG 4.42Å; V225-L227 HydrophobicContact CB-CD2 4.47Å; V225-L227 HydrophobicContact CG1-CD2 4.07Å; V225-L227 PolarHBondContact O-N 3.33Å; L227-V250 HydrophobicContact CD1-CG2 4.03Å; L227-V250 HydrophobicContact CD2-CG2 3.9Å | ||
| 228 | K | 89.8 | Confident | 89.7 | Confident | 136 Ų | 136 | 49 Ų | 49 | 59% | 0.591 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126 | 175.1 | -66.2 | -179.4 | -176.7 | 172.1 | 0 | 109.7 | S230 Y234 L235 | K228-S230 PolarHBondContact O-N 2.85Å; K228-Y234 WeakPolarHBondContact O-CA 3.44Å; K228-L235 PolarHBondContact N-O 3.25Å; K228-L235 PolarHBondContact O-N 3.17Å |
| 229 | K | 91.9 | Very high | 89.4 | Confident | 139 Ų | 139 | 49.1 Ų | 49.1 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 130.9 | -179 | -164.2 | 162.3 | -169.4 | 145.5 | 0 | 110.9 | Y234 | K229-Y234 HydrophobicContact CB-CD1 3.93Å; K229-Y234 HydrophobicContact CB-CE1 3.85Å; K229-Y234 HydrophobicContact CD-CE1 3.88Å; K229-Y234 HydrophobicContact CG-CD1 4.26Å; K229-Y234 HydrophobicContact CG-CE1 3.91Å; K229-Y234 PolarHBondContact NZ-OH 3.48Å |
| 230 | S | 87.5 | Confident | 89.1 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 97.5 | -176.7 | -171 | 0 | 0 | 0 | 0 | 109.7 | K228 K232 N233 | K228-S230 PolarHBondContact O-N 2.85Å; S230-K232 PolarHBondContact O-N 2.93Å; S230-N233 CarbonylContact C-O 3.58Å; S230-N233 PolarHBondContact N-O 3.35Å; S230-N233 PolarHBondContact O-N 3.42Å |
| 231 | G | 88.9 | Confident | 88.5 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 72% | 0.722 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -129.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 232 | K | 86.7 | Confident | 87.7 | Confident | 145 Ų | 145 | 52.7 Ų | 52.7 | 63% | 0.63 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -23.6 | 174.1 | -69.1 | -169.9 | 175 | -171.1 | 0 | 113.2 | S230 | S230-K232 PolarHBondContact O-N 2.93Š|
| 233 | N | 92.2 | Very high | 87.2 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 171.9 | -170.5 | -64.6 | 11.4 | 0 | 0 | 0 | 112 | S230 S249 V250 | S230-N233 CarbonylContact C-O 3.58Å; S230-N233 PolarHBondContact N-O 3.35Å; S230-N233 PolarHBondContact O-N 3.42Å; N233-S249 PolarHBondContact ND2-OG 2.97Å; N233-V250 CarbonylContact C-O 3.6Å; N233-V250 WeakPolarHBondContact CA-O 3.31Å; N233-V250 WeakPolarHBondContact CB-O 3.38Å |
| 234 | Y | 94.4 | Very high | 86.7 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.4 | 168.2 | -57.6 | -102.5 | 0 | 0 | 0 | 110 | V218 K228 K229 S249 V250 E252 | V218-Y234 HydrophobicContact CG1-CD1 4.2Å; V218-Y234 HydrophobicContact CG1-CD2 4.04Å; V218-Y234 HydrophobicContact CG1-CE1 4.17Å; V218-Y234 HydrophobicContact CG1-CE2 4.03Å; V218-Y234 HydrophobicContact CG1-CG 4.15Å; V218-Y234 HydrophobicContact CG2-CD2 3.75Å; V218-Y234 HydrophobicContact CG2-CE2 3.77Å; K228-Y234 WeakPolarHBondContact O-CA 3.44Å; K229-Y234 HydrophobicContact CB-CD1 3.93Å; K229-Y234 HydrophobicContact CB-CE1 3.85Å; K229-Y234 HydrophobicContact CD-CE1 3.88Å; K229-Y234 HydrophobicContact CG-CD1 4.26Å; K229-Y234 HydrophobicContact CG-CE1 3.91Å; K229-Y234 PolarHBondContact NZ-OH 3.48Å; Y234-S249 CarbonylContact O-C 3.51Å; Y234-S249 WeakPolarHBondContact O-CA 3.34Å; Y234-V250 PolarHBondContact N-O 3.44Å; Y234-V250 PolarHBondContact O-N 2.88Å; Y234-E252 HydrophobicContact CE2-CB 3.93Å; Y234-E252 HydrophobicContact CE2-CG 4.45Å; Y234-E252 WeakPolarHBondContact CE2-OE2 3.24Å; Y234-E252 VanDerWaalsContact CZ-OE2 3.31Å; Y234-E252 PolarHBondContact OH-OE2 3.46Å |
| 235 | L | 93.4 | Very high | 86.5 | Confident | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.7 | -179.4 | -61.9 | 178.7 | 0 | 0 | 0 | 111.5 | K228 P246 F248 | K228-L235 PolarHBondContact N-O 3.25Å; K228-L235 PolarHBondContact O-N 3.17Å; L235-P246 HydrophobicContact CB-CB 4.38Å; L235-F248 CarbonylContact C-O 3.56Å; L235-F248 VanDerWaalsContact CA-O 3.29Å; L235-F248 WeakPolarHBondContact CA-O 3.3Å |
| 236 | G | 91.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 177.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q226 P246 F248 | Q226-G236 WeakPolarHBondContact O-CA 3.38Å; G236-P246 WeakPolarHBondContact O-CA 3.32Å; G236-P246 VanDerWaalsContact O-CB 3.3Å; G236-P246 WeakPolarHBondContact O-CB 3.45Å; G236-F248 PolarHBondContact N-O 3.07Å; G236-F248 VanDerWaalsContact O-CB 3.27Å; G236-F248 WeakPolarHBondContact O-CB 3.45Å; G236-F248 PolarHBondContact O-N 3.46Å |
| 237 | L | 89 | Confident | 86.5 | Confident | 24 Ų | 24 | 60.5 Ų | 60.5 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | trans | -79.1 | 132 | 169.2 | -64.1 | 174.2 | 0 | 0 | 0 | 109.4 | V225 E243 P246 E503 R504 | V225-L237 VanDerWaalsContact CG1-O 3.26Å; V225-L237 WeakPolarHBondContact CG1-O 3.49Å; L237-E243 WeakPolarHBondContact CA-OE1 3.31Å; L237-E243 HydrophobicContact CD2-CG 4.11Å; L237-P246 HydrophobicContact CD2-CG 4.22Å; L237-E503 HydrophobicContact CD1-CB 3.72Å; L237-R504 HydrophobicContact CB-CG 4.06Å | ||
| 238 | C | 89.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -60.7 | 131.5 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | F240 H241 E243 F248 C259 R504 | C238-F240 PolarHBondContact SG-N 3.25Å; C238-H241 VanDerWaalsContact CB-ND1 3.31Å; C238-H241 WeakPolarHBondContact CB-ND1 3.37Å; C238-H241 VanDerWaalsContact O-O 3.05Å; C238-H241 PolarHBondContact SG-ND1 3.39Å; C238-E243 HydrophobicContact CB-CG 4.39Å; C238-E243 PolarHBondContact N-OE1 2.93Å; C238-F248 HydrophobicContact CB-CB 4.14Å; C238-F248 HydrophobicContact CB-CD2 4.01Å; C238-C259 PolarHBondContact SG-SG 3.13Å; C238-R504 PolarHBondContact O-NE 3.49Å; C238-R504 VanDerWaalsContact O-NE 3.17Å; C238-R504 PolarHBondContact O-NH2 3Å | ||
| 239 | P | 87 | Confident | 86.7 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -76.3 | -26.9 | 175.5 | 30 | -32.1 | 0 | 0 | 0 | 112.1 | V225 F248 F271 L275 R504 | V225-P239 HydrophobicContact CG2-CB 4.08Å; V225-P239 HydrophobicContact CG2-CG 3.8Å; P239-F248 HydrophobicContact CG-CE2 4.37Å; P239-F271 HydrophobicContact CG-CE2 3.91Å; P239-F271 HydrophobicContact CG-CZ 4.36Å; P239-L275 HydrophobicContact CB-CD1 3.71Å; P239-L275 HydrophobicContact CG-CD1 4.2Å; P239-R504 PolarHBondContact O-NH2 3.21Å; P239-R504 VanDerWaalsContact O-NH2 3.15Å |
| 240 | F | 83.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -82.8 | -9.8 | -173.3 | -45.4 | -52.9 | 0 | 0 | 0 | 116.3 | C238 F248 F257 K264 F271 E274 L275 | C238-F240 PolarHBondContact SG-N 3.25Å; F240-F248 HydrophobicContact CD2-CE2 4.14Å; F240-F248 AromaticContact CE2-CE2 3.68Å; F240-F248 HydrophobicContact CE2-CE2 3.68Å; F240-F248 HydrophobicContact CE2-CZ 4.34Å; F240-F257 HydrophobicContact CD2-CE2 4.49Å; F240-F257 HydrophobicContact CE2-CD2 4.25Å; F240-F257 AromaticContact CE2-CE2 3.51Å; F240-F257 HydrophobicContact CE2-CE2 3.51Å; F240-F257 AromaticContact CE2-CZ 3.96Å; F240-F257 HydrophobicContact CE2-CZ 3.96Å; F240-F257 HydrophobicContact CZ-CE2 4.2Å; F240-F257 HydrophobicContact CZ-CZ 4.24Å; F240-K264 HydrophobicContact CB-CD 3.72Å; F240-K264 HydrophobicContact CD2-CB 3.99Å; F240-K264 HydrophobicContact CD2-CD 3.74Å; F240-K264 HydrophobicContact CE2-CB 4.4Å; F240-K264 HydrophobicContact CG-CD 3.78Å; F240-F271 HydrophobicContact CE2-CD2 4.34Å; F240-F271 AromaticContact CZ-CD2 3.64Å; F240-F271 HydrophobicContact CZ-CD2 3.64Å; F240-F271 AromaticContact CZ-CE2 3.93Å; F240-F271 HydrophobicContact CZ-CE2 3.93Å; F240-F271 HydrophobicContact CZ-CG 4.48Å; F240-E274 HydrophobicContact CD1-CB 4.07Å; F240-E274 HydrophobicContact CE1-CB 3.55Å; F240-E274 HydrophobicContact CE2-CB 4.41Å; F240-E274 HydrophobicContact CZ-CB 3.74Å; F240-L275 HydrophobicContact CE1-CB 3.89Å; F240-L275 HydrophobicContact CE1-CD1 4.18Å |
| 241 | H | 77.5 | Confident | 86.8 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -151.2 | 164 | 176 | 80.4 | -67.9 | 0 | 0 | 0 | 110.7 | C238 E243 C259 C262 R504 | C238-H241 VanDerWaalsContact CB-ND1 3.31Å; C238-H241 WeakPolarHBondContact CB-ND1 3.37Å; C238-H241 VanDerWaalsContact O-O 3.05Å; C238-H241 PolarHBondContact SG-ND1 3.39Å; H241-E243 IonicContact CE1-OE2 3.26Å; H241-E243 PolarHBondContact CE1-OE2 3.44Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact NE2-OE2 2.77Å; H241-E243 PolarHBondContact NE2-OE2 2.98Å; H241-C259 PolarHBondContact CE1-SG 3.28Å; H241-C262 HydrophobicContact CB-CB 4.29Å; H241-R504 PolarHBondContact O-NH2 3.48Å |
| 242 | E | 73.9 | Confident | 87 | Confident | 114 Ų | 114 | 42.2 Ų | 42.2 | 53% | 0.533 | 21% | 0.212 | S | C | . | . | trans | -84.1 | 121.3 | 178.6 | -64.4 | -178.8 | -174.8 | 0 | 0 | 110.2 | Q497 | E242-Q497 VanDerWaalsContact OE1-CG 3.3Å; E242-Q497 WeakPolarHBondContact OE1-CG 3.37Å | ||
| 243 | E | 78.7 | Confident | 86.9 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | trans | -145.8 | 155.1 | 177.1 | 65.2 | 173.5 | -167 | 0 | 0 | 112.3 | L237 C238 H241 S247 | L237-E243 WeakPolarHBondContact CA-OE1 3.31Å; L237-E243 HydrophobicContact CD2-CG 4.11Å; C238-E243 HydrophobicContact CB-CG 4.39Å; C238-E243 PolarHBondContact N-OE1 2.93Å; H241-E243 IonicContact CE1-OE2 3.26Å; H241-E243 PolarHBondContact CE1-OE2 3.44Å; H241-E243 VanDerWaalsContact CE1-OE2 3.24Å; H241-E243 IonicContact NE2-OE2 2.77Å; H241-E243 PolarHBondContact NE2-OE2 2.98Å; E243-S247 PolarHBondContact OE1-N 3.05Å; E243-S247 PolarHBondContact OE1-OG 3.4Å; E243-S247 WeakPolarHBondContact OE2-CB 3.33Å; E243-S247 PolarHBondContact OE2-OG 3.48Å | ||
| 244 | K | 73.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 41.4 Ų | 41.4 | 47% | 0.474 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -110.1 | 2.3 | 177.8 | -59.3 | -169.8 | 179.1 | -169.1 | 0 | 113.6 | E496 R535 | K244-E496 IonicContact NZ-OE2 3.28Å; K244-E496 PolarHBondContact NZ-OE2 2.85Å; K244-R535 VanDerWaalsContact O-CZ 3.3Å; K244-R535 PolarHBondContact O-NH2 3.29Å |
| 245 | T | 81.6 | Confident | 86.1 | Confident | 87 Ų | 87 | 42.1 Ų | 42.1 | 53% | 0.534 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -135.4 | 128.8 | -179.8 | 44.9 | 0 | 0 | 0 | 0 | 108.3 | S247 | T245-S247 PolarHBondContact O-N 3.3Š|
| 246 | P | 86.5 | Confident | 85.8 | Confident | 69 Ų | 69 | 39.4 Ų | 39.4 | 45% | 0.448 | 20% | 0.201 | S | C | . | . | trans | -55.5 | 111.4 | 179 | -28.6 | 36.9 | 0 | 0 | 0 | 112.4 | L235 G236 L237 | L235-P246 HydrophobicContact CB-CB 4.38Å; G236-P246 WeakPolarHBondContact O-CA 3.32Å; G236-P246 VanDerWaalsContact O-CB 3.3Å; G236-P246 WeakPolarHBondContact O-CB 3.45Å; L237-P246 HydrophobicContact CD2-CG 4.22Å | ||
| 247 | S | 87.9 | Confident | 85.8 | Confident | 15 Ų | 15 | 39.3 Ų | 39.3 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | trans | -113.1 | -7.2 | 169 | 80.8 | 0 | 0 | 0 | 0 | 113.2 | E243 T245 C259 F260 G261 | E243-S247 PolarHBondContact OE1-N 3.05Å; E243-S247 PolarHBondContact OE1-OG 3.4Å; E243-S247 WeakPolarHBondContact OE2-CB 3.33Å; E243-S247 PolarHBondContact OE2-OG 3.48Å; T245-S247 PolarHBondContact O-N 3.3Å; S247-C259 PolarHBondContact OG-SG 3.4Å; S247-F260 WeakPolarHBondContact O-CD2 3.42Å; S247-F260 PolarHBondContact O-N 2.91Å; S247-G261 PolarHBondContact OG-N 3.48Å; S247-G261 VanDerWaalsContact OG-N 3.12Å | ||
| 248 | F | 92.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 120.7 | 177.1 | -160.2 | -91.8 | 0 | 0 | 0 | 110.8 | I221 L235 G236 C238 P239 F240 V250 F257 C259 F271 | I221-F248 HydrophobicContact CD1-CE1 4.08Å; I221-F248 HydrophobicContact CD1-CZ 4.21Å; I221-F248 HydrophobicContact CG2-CE1 3.71Å; I221-F248 HydrophobicContact CG2-CZ 4.41Å; L235-F248 CarbonylContact C-O 3.56Å; L235-F248 VanDerWaalsContact CA-O 3.29Å; L235-F248 WeakPolarHBondContact CA-O 3.3Å; G236-F248 PolarHBondContact N-O 3.07Å; G236-F248 VanDerWaalsContact O-CB 3.27Å; G236-F248 WeakPolarHBondContact O-CB 3.45Å; G236-F248 PolarHBondContact O-N 3.46Å; C238-F248 HydrophobicContact CB-CB 4.14Å; C238-F248 HydrophobicContact CB-CD2 4.01Å; P239-F248 HydrophobicContact CG-CE2 4.37Å; F240-F248 HydrophobicContact CD2-CE2 4.14Å; F240-F248 AromaticContact CE2-CE2 3.68Å; F240-F248 HydrophobicContact CE2-CE2 3.68Å; F240-F248 HydrophobicContact CE2-CZ 4.34Å; F248-V250 HydrophobicContact CD1-CG2 4.06Å; F248-V250 HydrophobicContact CE1-CG2 3.69Å; F248-F257 HydrophobicContact CE1-CB 3.83Å; F248-F257 HydrophobicContact CE1-CD2 4.29Å; F248-F257 HydrophobicContact CE1-CG 4.29Å; F248-F257 HydrophobicContact CE2-CB 4.47Å; F248-F257 AromaticContact CE2-CD2 3.42Å; F248-F257 HydrophobicContact CE2-CD2 3.42Å; F248-F257 VanDerWaalsContact CE2-CD2 3.42Å; F248-F257 HydrophobicContact CE2-CE2 4.01Å; F248-F257 HydrophobicContact CE2-CG 4.19Å; F248-F257 HydrophobicContact CZ-CB 3.62Å; F248-F257 AromaticContact CZ-CD2 3.28Å; F248-F257 HydrophobicContact CZ-CD2 3.28Å; F248-F257 HydrophobicContact CZ-CE2 4.13Å; F248-F257 AromaticContact CZ-CG 3.56Å; F248-F257 HydrophobicContact CZ-CG 3.56Å; F248-C259 HydrophobicContact CD2-CB 4.04Å; F248-F271 HydrophobicContact CE1-CE2 4.41Å; F248-F271 AromaticContact CZ-CD2 3.91Å; F248-F271 HydrophobicContact CZ-CD2 3.91Å; F248-F271 AromaticContact CZ-CE2 3.76Å; F248-F271 HydrophobicContact CZ-CE2 3.76Å |
| 249 | S | 92.2 | Very high | 85.6 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.5 | -179.9 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | N233 Y234 F257 H258 | N233-S249 PolarHBondContact ND2-OG 2.97Å; Y234-S249 CarbonylContact O-C 3.51Å; Y234-S249 WeakPolarHBondContact O-CA 3.34Å; S249-F257 CarbonylContact O-C 3.38Å; S249-F257 VanDerWaalsContact O-CA 3.26Å; S249-F257 WeakPolarHBondContact O-CA 3.42Å; S249-H258 PolarHBondContact N-O 2.91Å; S249-H258 PolarHBondContact O-N 3.02Å |
| 250 | V | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.7 | 172 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | I217 V218 I221 L227 N233 Y234 F248 F257 | I217-V250 HydrophobicContact CG2-CG1 3.71Å; V218-V250 HydrophobicContact CG2-CG1 3.79Å; I221-V250 HydrophobicContact CB-CG2 4.39Å; I221-V250 HydrophobicContact CD1-CG1 4.36Å; I221-V250 HydrophobicContact CD1-CG2 3.96Å; I221-V250 HydrophobicContact CG2-CG2 3.9Å; L227-V250 HydrophobicContact CD1-CG2 4.03Å; L227-V250 HydrophobicContact CD2-CG2 3.9Å; N233-V250 CarbonylContact C-O 3.6Å; N233-V250 WeakPolarHBondContact CA-O 3.31Å; N233-V250 WeakPolarHBondContact CB-O 3.38Å; Y234-V250 PolarHBondContact N-O 3.44Å; Y234-V250 PolarHBondContact O-N 2.88Å; F248-V250 HydrophobicContact CD1-CG2 4.06Å; F248-V250 HydrophobicContact CE1-CG2 3.69Å; V250-F257 HydrophobicContact CG2-CB 4.28Å |
| 251 | A | 89.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 104.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K254 Q255 I256 M740 | A251-K254 HydrophobicContact CB-CB 4.07Å; A251-K254 HydrophobicContact CB-CD 4.36Å; A251-K254 HydrophobicContact CB-CG 4.5Å; A251-K254 PolarHBondContact O-N 3.33Å; A251-Q255 PolarHBondContact O-N 3.46Å; A251-I256 HydrophobicContact CB-CG1 4.08Å; A251-I256 PolarHBondContact N-O 3.24Å; A251-I256 PolarHBondContact O-N 3.4Å; A251-M740 HydrophobicContact CB-CE 4.25Å |
| 252 | E | 91.8 | Very high | 85.2 | Confident | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -37.8 | -174.9 | -172.4 | 166.1 | -143.7 | 0 | 0 | 112.1 | N216 V218 Y234 K254 Q255 | N216-E252 PolarHBondContact ND2-OE1 2.82Å; V218-E252 HydrophobicContact CG2-CB 3.65Å; V218-E252 HydrophobicContact CG2-CG 3.75Å; Y234-E252 HydrophobicContact CE2-CB 3.93Å; Y234-E252 HydrophobicContact CE2-CG 4.45Å; Y234-E252 WeakPolarHBondContact CE2-OE2 3.24Å; Y234-E252 VanDerWaalsContact CZ-OE2 3.31Å; Y234-E252 PolarHBondContact OH-OE2 3.46Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.88Å; E252-Q255 PolarHBondContact O-N 2.79Å; E252-Q255 PolarHBondContact O-NE2 2.94Å |
| 253 | D | 85.3 | Confident | 85.2 | Confident | 102 Ų | 102 | 37.7 Ų | 37.7 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.8 | 175.9 | 60.3 | -27.9 | 0 | 0 | 0 | 113 | ||
| 254 | K | 82.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 29% | 0.291 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -6.6 | -178.3 | -65.9 | 176.9 | -175.3 | 178.8 | 0 | 114 | A251 E252 I256 S739 | A251-K254 HydrophobicContact CB-CB 4.07Å; A251-K254 HydrophobicContact CB-CD 4.36Å; A251-K254 HydrophobicContact CB-CG 4.5Å; A251-K254 PolarHBondContact O-N 3.33Å; E252-K254 VanDerWaalsContact C-N 3.31Å; E252-K254 PolarHBondContact O-N 2.88Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 HydrophobicContact CB-CD1 4.05Å; K254-I256 HydrophobicContact CB-CG1 3.79Å; K254-I256 HydrophobicContact CD-CD1 4.23Å; K254-I256 PolarHBondContact O-N 2.86Å; K254-S739 PolarHBondContact NZ-O 3.25Å |
| 255 | Q | 88 | Confident | 85.5 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 42 | -173.5 | -68 | -63.8 | -44.7 | 0 | 0 | 113.7 | T215 N216 I217 A251 E252 | T215-Q255 PolarHBondContact O-OE1 2.99Å; N216-Q255 PolarHBondContact OD1-NE2 3.28Å; I217-Q255 VanDerWaalsContact CB-OE1 3.29Å; I217-Q255 WeakPolarHBondContact CD1-O 3.5Å; A251-Q255 PolarHBondContact O-N 3.46Å; E252-Q255 PolarHBondContact O-N 2.79Å; E252-Q255 PolarHBondContact O-NE2 2.94Å |
| 256 | I | 87.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 157 | 178 | 63.1 | 177.3 | 0 | 0 | 0 | 113.3 | A251 K254 G266 L719 L723 M740 | A251-I256 HydrophobicContact CB-CG1 4.08Å; A251-I256 PolarHBondContact N-O 3.24Å; A251-I256 PolarHBondContact O-N 3.4Å; K254-I256 VanDerWaalsContact C-N 3.26Å; K254-I256 HydrophobicContact CB-CD1 4.05Å; K254-I256 HydrophobicContact CB-CG1 3.79Å; K254-I256 HydrophobicContact CD-CD1 4.23Å; K254-I256 PolarHBondContact O-N 2.86Å; I256-G266 CarbonylContact C-O 3.5Å; I256-G266 WeakPolarHBondContact CA-O 3.42Å; I256-G266 WeakPolarHBondContact CB-O 3.46Å; I256-L719 HydrophobicContact CD1-CD2 3.72Å; I256-L719 HydrophobicContact CG2-CD2 4.09Å; I256-L719 HydrophobicContact CG2-CG 4.45Å; I256-L723 HydrophobicContact CG2-CD1 4.38Å; I256-M740 HydrophobicContact CD1-CE 3.5Å; I256-M740 HydrophobicContact CD1-SD 4.33Å; I256-M740 HydrophobicContact CG1-CE 3.88Å |
| 257 | F | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 158.8 | 161.3 | 77 | -85.1 | 0 | 0 | 0 | 111.2 | I217 I221 F240 F248 S249 V250 K264 G265 G266 F271 | I217-F257 HydrophobicContact CD1-CD1 4.32Å; I221-F257 HydrophobicContact CD1-CB 3.66Å; I221-F257 HydrophobicContact CD1-CD1 4.05Å; I221-F257 HydrophobicContact CD1-CG 4.05Å; F240-F257 HydrophobicContact CD2-CE2 4.49Å; F240-F257 HydrophobicContact CE2-CD2 4.25Å; F240-F257 AromaticContact CE2-CE2 3.51Å; F240-F257 HydrophobicContact CE2-CE2 3.51Å; F240-F257 AromaticContact CE2-CZ 3.96Å; F240-F257 HydrophobicContact CE2-CZ 3.96Å; F240-F257 HydrophobicContact CZ-CE2 4.2Å; F240-F257 HydrophobicContact CZ-CZ 4.24Å; F248-F257 HydrophobicContact CE1-CB 3.83Å; F248-F257 HydrophobicContact CE1-CD2 4.29Å; F248-F257 HydrophobicContact CE1-CG 4.29Å; F248-F257 HydrophobicContact CE2-CB 4.47Å; F248-F257 AromaticContact CE2-CD2 3.42Å; F248-F257 HydrophobicContact CE2-CD2 3.42Å; F248-F257 VanDerWaalsContact CE2-CD2 3.42Å; F248-F257 HydrophobicContact CE2-CE2 4.01Å; F248-F257 HydrophobicContact CE2-CG 4.19Å; F248-F257 HydrophobicContact CZ-CB 3.62Å; F248-F257 AromaticContact CZ-CD2 3.28Å; F248-F257 HydrophobicContact CZ-CD2 3.28Å; F248-F257 HydrophobicContact CZ-CE2 4.13Å; F248-F257 AromaticContact CZ-CG 3.56Å; F248-F257 HydrophobicContact CZ-CG 3.56Å; S249-F257 CarbonylContact O-C 3.38Å; S249-F257 VanDerWaalsContact O-CA 3.26Å; S249-F257 WeakPolarHBondContact O-CA 3.42Å; V250-F257 HydrophobicContact CG2-CB 4.28Å; F257-K264 WeakPolarHBondContact CE2-O 3.29Å; F257-G265 VanDerWaalsContact CZ-C 3.4Å; F257-G265 CarbonylContact O-C 3.57Å; F257-G265 WeakPolarHBondContact O-CA 3.14Å; F257-G266 WeakPolarHBondContact CD1-O 3.43Å; F257-G266 PolarHBondContact N-O 2.82Å; F257-G266 PolarHBondContact O-N 3.22Å; F257-F271 HydrophobicContact CD1-CB 3.84Å; F257-F271 HydrophobicContact CD1-CD2 4.19Å; F257-F271 HydrophobicContact CD1-CG 4.48Å; F257-F271 HydrophobicContact CE1-CB 3.53Å; F257-F271 HydrophobicContact CE1-CD2 4.25Å; F257-F271 HydrophobicContact CE1-CG 4.41Å; F257-F271 HydrophobicContact CG-CD2 4.43Å; F257-F271 HydrophobicContact CZ-CB 4.3Å |
| 258 | H | 87 | Confident | 85.5 | Confident | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.046 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 135.7 | 169.5 | 178 | -104.8 | 0 | 0 | 0 | 110.5 | S249 F260 G263 Q733 I736 D737 M740 | S249-H258 PolarHBondContact N-O 2.91Å; S249-H258 PolarHBondContact O-N 3.02Å; H258-F260 AromaticContact CE1-CD1 3.42Å; H258-F260 VanDerWaalsContact CE1-CD1 3.42Å; H258-F260 WeakPolarHBondContact CE1-CD1 3.34Å; H258-F260 AromaticContact CE1-CE1 3.65Å; H258-F260 AromaticContact ND1-CD1 3.38Å; H258-F260 WeakPolarHBondContact ND1-CD1 3.41Å; H258-F260 AromaticContact ND1-CE1 3.31Å; H258-F260 VanDerWaalsContact ND1-CE1 3.31Å; H258-F260 WeakPolarHBondContact ND1-CE1 3.37Å; H258-F260 AromaticContact ND1-CG 3.81Å; H258-F260 AromaticContact ND1-CZ 3.71Å; H258-G263 PolarHBondContact CD2-O 2.95Å; H258-G263 PolarHBondContact NE2-O 2.84Å; H258-Q733 PolarHBondContact NE2-NE2 3.39Å; H258-I736 HydrophobicContact CB-CG2 4Å; H258-D737 IonicContact NE2-OD1 3.16Å; H258-M740 HydrophobicContact CB-CE 3.77Å |
| 259 | C | 88.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 107.7 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | C238 H241 S247 F248 G261 C262 G263 K264 | C238-C259 PolarHBondContact SG-SG 3.13Å; H241-C259 PolarHBondContact CE1-SG 3.28Å; S247-C259 PolarHBondContact OG-SG 3.4Å; F248-C259 HydrophobicContact CD2-CB 4.04Å; C259-G261 PolarHBondContact O-N 3Å; C259-G261 VanDerWaalsContact O-N 3.12Å; C259-C262 PolarHBondContact SG-N 3.48Å; C259-C262 PolarHBondContact SG-SG 3.2Å; C259-G263 CarbonylContact O-C 3.54Å; C259-G263 VanDerWaalsContact O-CA 3.3Å; C259-G263 WeakPolarHBondContact O-CA 3.49Å; C259-G263 PolarHBondContact O-N 2.95Å; C259-K264 WeakPolarHBondContact CB-O 3.48Å; C259-K264 PolarHBondContact N-O 3.48Å |
| 260 | F | 86.2 | Confident | 84.5 | Confident | 101 Ų | 101 | 27.9 Ų | 27.9 | 44% | 0.443 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -8.1 | 179.3 | -64 | -72.8 | 0 | 0 | 0 | 114.6 | S247 H258 | S247-F260 WeakPolarHBondContact O-CD2 3.42Å; S247-F260 PolarHBondContact O-N 2.91Å; H258-F260 AromaticContact CE1-CD1 3.42Å; H258-F260 VanDerWaalsContact CE1-CD1 3.42Å; H258-F260 WeakPolarHBondContact CE1-CD1 3.34Å; H258-F260 AromaticContact CE1-CE1 3.65Å; H258-F260 AromaticContact ND1-CD1 3.38Å; H258-F260 WeakPolarHBondContact ND1-CD1 3.41Å; H258-F260 AromaticContact ND1-CE1 3.31Å; H258-F260 VanDerWaalsContact ND1-CE1 3.31Å; H258-F260 WeakPolarHBondContact ND1-CE1 3.37Å; H258-F260 AromaticContact ND1-CG 3.81Å; H258-F260 AromaticContact ND1-CZ 3.71Å |
| 261 | G | 73.6 | Confident | 84.2 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 25% | 0.247 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -57.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S247 C259 S659 | S247-G261 PolarHBondContact OG-N 3.48Å; S247-G261 VanDerWaalsContact OG-N 3.12Å; C259-G261 PolarHBondContact O-N 3Å; C259-G261 VanDerWaalsContact O-N 3.12Å; G261-S659 PolarHBondContact O-OG 2.94Å |
| 262 | C | 80.2 | Confident | 83.9 | Confident | 51 Ų | 51 | 27.9 Ų | 27.9 | 35% | 0.345 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.2 | -174.8 | 71.4 | 0 | 0 | 0 | 0 | 115.4 | H241 C259 K264 | H241-C262 HydrophobicContact CB-CB 4.29Å; C259-C262 PolarHBondContact SG-N 3.48Å; C259-C262 PolarHBondContact SG-SG 3.2Å; C262-K264 PolarHBondContact O-N 2.8Å; C262-K264 VanDerWaalsContact O-N 3.13Å |
| 263 | G | 73.5 | Confident | 83.2 | Confident | 24 Ų | 24 | 27.6 Ų | 27.6 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | trans | 85.3 | -47.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H258 C259 G265 Q733 | H258-G263 PolarHBondContact CD2-O 2.95Å; H258-G263 PolarHBondContact NE2-O 2.84Å; C259-G263 CarbonylContact O-C 3.54Å; C259-G263 VanDerWaalsContact O-CA 3.3Å; C259-G263 WeakPolarHBondContact O-CA 3.49Å; C259-G263 PolarHBondContact O-N 2.95Å; G263-G265 PolarHBondContact O-N 3.13Å; G263-Q733 VanDerWaalsContact C-OE1 3.27Å; G263-Q733 VanDerWaalsContact O-CD 3.32Å; G263-Q733 PolarHBondContact O-NE2 3.16Å; G263-Q733 PolarHBondContact O-OE1 3.49Å | ||
| 264 | K | 81.5 | Confident | 82.8 | Confident | 75 Ų | 75 | 26.7 Ų | 26.7 | 33% | 0.326 | 14% | 0.143 | S | C | . | . | trans | -38.2 | 125.5 | -172.5 | -65.2 | -171.4 | 179.5 | -168.7 | 0 | 113.6 | F240 F257 C259 C262 E274 | F240-K264 HydrophobicContact CB-CD 3.72Å; F240-K264 HydrophobicContact CD2-CB 3.99Å; F240-K264 HydrophobicContact CD2-CD 3.74Å; F240-K264 HydrophobicContact CE2-CB 4.4Å; F240-K264 HydrophobicContact CG-CD 3.78Å; F257-K264 WeakPolarHBondContact CE2-O 3.29Å; C259-K264 WeakPolarHBondContact CB-O 3.48Å; C259-K264 PolarHBondContact N-O 3.48Å; C262-K264 PolarHBondContact O-N 2.8Å; C262-K264 VanDerWaalsContact O-N 3.13Å; K264-E274 HydrophobicContact CD-CG 4.48Å; K264-E274 WeakPolarHBondContact CD-OE2 3.16Å; K264-E274 WeakPolarHBondContact CE-OE2 3.37Å; K264-E274 IonicContact NZ-OE2 3.36Å; K264-E274 PolarHBondContact NZ-OE2 2.98Å | ||
| 265 | G | 77.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 7% | 0.072 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 173 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F257 G263 I736 | F257-G265 VanDerWaalsContact CZ-C 3.4Å; F257-G265 CarbonylContact O-C 3.57Å; F257-G265 WeakPolarHBondContact O-CA 3.14Å; G263-G265 PolarHBondContact O-N 3.13Å; G265-I736 WeakPolarHBondContact O-CD1 3.33Å |
| 266 | G | 83.3 | Confident | 82.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.8 | -162 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I256 F257 T270 | I256-G266 CarbonylContact C-O 3.5Å; I256-G266 WeakPolarHBondContact CA-O 3.42Å; I256-G266 WeakPolarHBondContact CB-O 3.46Å; F257-G266 WeakPolarHBondContact CD1-O 3.43Å; F257-G266 PolarHBondContact N-O 2.82Å; F257-G266 PolarHBondContact O-N 3.22Å; G266-T270 VanDerWaalsContact C-OG1 3.26Å; G266-T270 VanDerWaalsContact CA-OG1 3.27Å; G266-T270 WeakPolarHBondContact CA-OG1 3.33Å |
| 267 | N | 85.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -87.6 | -178.4 | 177.2 | 66.9 | 33.9 | 0 | 0 | 0 | 112.6 | Y269 T270 F271 A720 N724 | N267-Y269 VanDerWaalsContact C-N 3.28Å; N267-Y269 PolarHBondContact O-N 2.88Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.34Å; N267-Y269 PolarHBondContact OD1-N 2.9Å; N267-T270 PolarHBondContact N-OG1 2.73Å; N267-T270 PolarHBondContact O-N 2.86Å; N267-T270 PolarHBondContact O-OG1 3.36Å; N267-T270 PolarHBondContact OD1-N 3.3Å; N267-T270 VanDerWaalsContact OD1-N 3.12Å; N267-T270 PolarHBondContact OD1-OG1 3.29Å; N267-F271 PolarHBondContact O-N 2.91Å; N267-A720 HydrophobicContact CB-CB 4.13Å; N267-A720 PolarHBondContact ND2-O 3.02Å; N267-N724 PolarHBondContact ND2-OD1 3Å | ||
| 268 | V | 87 | Confident | 79.5 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.6 | -33.8 | -179.3 | 67 | 0 | 0 | 0 | 0 | 114.1 | T215 I217 V220 F271 L272 V287 | T215-V268 HydrophobicContact CG2-CB 4.47Å; T215-V268 HydrophobicContact CG2-CG1 4.3Å; T215-V268 HydrophobicContact CG2-CG2 4.03Å; I217-V268 HydrophobicContact CB-CB 4.5Å; I217-V268 HydrophobicContact CD1-CB 4.35Å; I217-V268 HydrophobicContact CG1-CB 4.05Å; V220-V268 HydrophobicContact CB-CG2 3.71Å; V220-V268 HydrophobicContact CG1-CG2 3.49Å; V220-V268 VanDerWaalsContact CG1-CG2 3.49Å; V220-V268 HydrophobicContact CG2-CG2 4.13Å; V268-F271 WeakPolarHBondContact O-CB 3.44Å; V268-F271 PolarHBondContact O-N 3.03Å; V268-L272 PolarHBondContact O-N 3.25Å; V268-V287 HydrophobicContact CG1-CG1 4.49Å; V268-V287 HydrophobicContact CG1-CG2 4.25Å; V268-V287 HydrophobicContact CG2-CG2 3.91Å |
| 269 | Y | 83.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.9 | -50.9 | 177 | -52.5 | -49.2 | 0 | 0 | 0 | 111 | I208 V211 R212 N267 F271 L272 Q273 F280 V284 V287 | I208-Y269 HydrophobicContact CG2-CE2 3.76Å; I208-Y269 PolarHBondContact O-OH 2.85Å; V211-Y269 WeakPolarHBondContact CB-OH 3.38Å; V211-Y269 HydrophobicContact CG1-CE1 4.22Å; V211-Y269 VanDerWaalsContact CG1-OH 3.29Å; V211-Y269 WeakPolarHBondContact CG1-OH 3.38Å; R212-Y269 HydrophobicContact CB-CE2 3.91Å; R212-Y269 WeakPolarHBondContact CB-OH 3.42Å; R212-Y269 HydrophobicContact CG-CE2 4.23Å; R212-Y269 PolarHBondContact N-OH 2.81Å; N267-Y269 VanDerWaalsContact C-N 3.28Å; N267-Y269 PolarHBondContact O-N 2.88Å; N267-Y269 WeakPolarHBondContact OD1-CB 3.34Å; N267-Y269 PolarHBondContact OD1-N 2.9Å; Y269-F271 PolarHBondContact O-N 2.75Å; Y269-L272 PolarHBondContact O-N 3.3Å; Y269-Q273 WeakPolarHBondContact O-CG 3.46Å; Y269-Q273 PolarHBondContact O-N 3.09Å; Y269-F280 AromaticContact CD2-CE2 3.77Å; Y269-F280 HydrophobicContact CD2-CE2 3.77Å; Y269-F280 HydrophobicContact CD2-CZ 4.14Å; Y269-F280 HydrophobicContact CG-CE2 4.08Å; Y269-V284 HydrophobicContact CD1-CB 4.23Å; Y269-V284 HydrophobicContact CD1-CG2 3.7Å; Y269-V284 HydrophobicContact CD2-CG2 4.08Å; Y269-V284 HydrophobicContact CE1-CB 3.95Å; Y269-V284 HydrophobicContact CE1-CG1 4.07Å; Y269-V284 HydrophobicContact CE1-CG2 3.68Å; Y269-V284 HydrophobicContact CE2-CG2 4.02Å; Y269-V284 HydrophobicContact CG-CG2 3.91Å; Y269-V287 HydrophobicContact CD1-CB 4.41Å; Y269-V287 HydrophobicContact CD1-CG2 3.83Å; Y269-V287 HydrophobicContact CE1-CB 3.85Å; Y269-V287 HydrophobicContact CE1-CG1 4.19Å; Y269-V287 HydrophobicContact CE1-CG2 3.75Å |
| 270 | T | 79.9 | Confident | 77.2 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -32.9 | 176.2 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | G266 N267 E274 | G266-T270 VanDerWaalsContact C-OG1 3.26Å; G266-T270 VanDerWaalsContact CA-OG1 3.27Å; G266-T270 WeakPolarHBondContact CA-OG1 3.33Å; N267-T270 PolarHBondContact N-OG1 2.73Å; N267-T270 PolarHBondContact O-N 2.86Å; N267-T270 PolarHBondContact O-OG1 3.36Å; N267-T270 PolarHBondContact OD1-N 3.3Å; N267-T270 VanDerWaalsContact OD1-N 3.12Å; N267-T270 PolarHBondContact OD1-OG1 3.29Å; T270-E274 VanDerWaalsContact O-CB 3.27Å; T270-E274 WeakPolarHBondContact O-CB 3.24Å; T270-E274 VanDerWaalsContact O-CG 3.3Å; T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 2.94Å |
| 271 | F | 87.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 172.7 | 176.9 | -99.1 | 0 | 0 | 0 | 111.7 | I221 Y224 V225 P239 F240 F248 F257 N267 V268 Y269 E274 L275 | I221-F271 HydrophobicContact CB-CE1 4.45Å; I221-F271 HydrophobicContact CB-CE2 4.41Å; I221-F271 HydrophobicContact CB-CZ 4.23Å; I221-F271 HydrophobicContact CD1-CB 4.34Å; I221-F271 HydrophobicContact CD1-CD1 4.44Å; I221-F271 HydrophobicContact CD1-CD2 3.63Å; I221-F271 HydrophobicContact CD1-CE2 3.99Å; I221-F271 HydrophobicContact CD1-CG 3.88Å; I221-F271 HydrophobicContact CG1-CD1 3.79Å; I221-F271 HydrophobicContact CG1-CD2 3.76Å; I221-F271 HydrophobicContact CG1-CE1 3.85Å; I221-F271 HydrophobicContact CG1-CE2 3.82Å; I221-F271 HydrophobicContact CG1-CG 3.74Å; I221-F271 HydrophobicContact CG1-CZ 3.87Å; I221-F271 HydrophobicContact CG2-CE2 3.98Å; I221-F271 HydrophobicContact CG2-CZ 4.02Å; Y224-F271 AromaticContact CD2-CE1 3.8Å; Y224-F271 HydrophobicContact CD2-CE1 3.8Å; Y224-F271 HydrophobicContact CD2-CZ 4.34Å; Y224-F271 HydrophobicContact CE2-CE1 4.22Å; Y224-F271 HydrophobicContact CG-CE1 4.31Å; V225-F271 HydrophobicContact CG2-CZ 4.49Å; P239-F271 HydrophobicContact CG-CE2 3.91Å; P239-F271 HydrophobicContact CG-CZ 4.36Å; F240-F271 HydrophobicContact CE2-CD2 4.34Å; F240-F271 AromaticContact CZ-CD2 3.64Å; F240-F271 HydrophobicContact CZ-CD2 3.64Å; F240-F271 AromaticContact CZ-CE2 3.93Å; F240-F271 HydrophobicContact CZ-CE2 3.93Å; F240-F271 HydrophobicContact CZ-CG 4.48Å; F248-F271 HydrophobicContact CE1-CE2 4.41Å; F248-F271 AromaticContact CZ-CD2 3.91Å; F248-F271 HydrophobicContact CZ-CD2 3.91Å; F248-F271 AromaticContact CZ-CE2 3.76Å; F248-F271 HydrophobicContact CZ-CE2 3.76Å; F257-F271 HydrophobicContact CD1-CB 3.84Å; F257-F271 HydrophobicContact CD1-CD2 4.19Å; F257-F271 HydrophobicContact CD1-CG 4.48Å; F257-F271 HydrophobicContact CE1-CB 3.53Å; F257-F271 HydrophobicContact CE1-CD2 4.25Å; F257-F271 HydrophobicContact CE1-CG 4.41Å; F257-F271 HydrophobicContact CG-CD2 4.43Å; F257-F271 HydrophobicContact CZ-CB 4.3Å; N267-F271 PolarHBondContact O-N 2.91Å; V268-F271 WeakPolarHBondContact O-CB 3.44Å; V268-F271 PolarHBondContact O-N 3.03Å; Y269-F271 PolarHBondContact O-N 2.75Å; F271-E274 PolarHBondContact O-N 3.06Å; F271-L275 HydrophobicContact CE1-CD2 3.75Å; F271-L275 HydrophobicContact CZ-CD2 3.91Å; F271-L275 WeakPolarHBondContact O-CB 3.35Å; F271-L275 PolarHBondContact O-N 2.95Å |
| 272 | L | 82.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70 | -35.1 | -179.8 | -66.8 | 175.2 | 0 | 0 | 0 | 112.7 | V220 Y224 V268 Y269 L275 E276 I278 A283 K286 V287 | V220-L272 HydrophobicContact CG1-CD1 4.38Å; V220-L272 HydrophobicContact CG1-CD2 4.32Å; V220-L272 HydrophobicContact CG1-CG 4.47Å; Y224-L272 HydrophobicContact CE2-CD2 3.92Å; Y224-L272 WeakPolarHBondContact OH-CD2 3.17Å; V268-L272 PolarHBondContact O-N 3.25Å; Y269-L272 PolarHBondContact O-N 3.3Å; L272-L275 PolarHBondContact O-N 2.9Å; L272-E276 VanDerWaalsContact O-CB 3.31Å; L272-E276 WeakPolarHBondContact O-CB 3.26Å; L272-E276 PolarHBondContact O-N 2.88Å; L272-I278 HydrophobicContact CB-CD1 4.16Å; L272-A283 HydrophobicContact CB-CB 4.16Å; L272-K286 HydrophobicContact CD1-CB 4.3Å; L272-K286 HydrophobicContact CD1-CD 4.4Å; L272-K286 HydrophobicContact CD1-CG 4.19Å; L272-V287 HydrophobicContact CD1-CG2 3.43Å; L272-V287 VanDerWaalsContact CD1-CG2 3.43Å |
| 273 | Q | 77 | Confident | 75.8 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -50.5 | 172.7 | -67.7 | -173.7 | -100 | 0 | 0 | 111.4 | Y269 L275 G277 I278 A283 | Y269-Q273 WeakPolarHBondContact O-CG 3.46Å; Y269-Q273 PolarHBondContact O-N 3.09Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 2.88Å; Q273-G277 VanDerWaalsContact O-CA 3.29Å; Q273-G277 WeakPolarHBondContact O-CA 3.39Å; Q273-G277 PolarHBondContact O-N 2.89Å; Q273-I278 WeakPolarHBondContact CG-O 3.11Å; Q273-A283 HydrophobicContact CG-CB 3.78Å |
| 274 | E | 78 | Confident | 76.2 | Confident | 83 Ų | 83 | 28.4 Ų | 28.4 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.4 | -29.8 | 178.9 | -75.6 | -62.1 | 138.3 | 0 | 0 | 113.1 | F240 K264 T270 F271 | F240-E274 HydrophobicContact CD1-CB 4.07Å; F240-E274 HydrophobicContact CE1-CB 3.55Å; F240-E274 HydrophobicContact CE2-CB 4.41Å; F240-E274 HydrophobicContact CZ-CB 3.74Å; K264-E274 HydrophobicContact CD-CG 4.48Å; K264-E274 WeakPolarHBondContact CD-OE2 3.16Å; K264-E274 WeakPolarHBondContact CE-OE2 3.37Å; K264-E274 IonicContact NZ-OE2 3.36Å; K264-E274 PolarHBondContact NZ-OE2 2.98Å; T270-E274 VanDerWaalsContact O-CB 3.27Å; T270-E274 WeakPolarHBondContact O-CB 3.24Å; T270-E274 VanDerWaalsContact O-CG 3.3Å; T270-E274 WeakPolarHBondContact O-CG 3.43Å; T270-E274 PolarHBondContact O-N 2.94Å; F271-E274 PolarHBondContact O-N 3.06Å |
| 275 | L | 80.9 | Confident | 76.2 | Confident | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -79.6 | -50.9 | 179.5 | -172.5 | 64.5 | 0 | 0 | 0 | 111 | Y224 P239 F240 F271 L272 Q273 F410 | Y224-L275 HydrophobicContact CD1-CD2 3.31Å; Y224-L275 HydrophobicContact CD2-CD2 4.09Å; Y224-L275 HydrophobicContact CE1-CD2 3.5Å; Y224-L275 VanDerWaalsContact CE1-CD2 3.5Å; Y224-L275 HydrophobicContact CE2-CD2 4.3Å; Y224-L275 HydrophobicContact CG-CD2 3.59Å; P239-L275 HydrophobicContact CB-CD1 3.71Å; P239-L275 HydrophobicContact CG-CD1 4.2Å; F240-L275 HydrophobicContact CE1-CB 3.89Å; F240-L275 HydrophobicContact CE1-CD1 4.18Å; F271-L275 HydrophobicContact CE1-CD2 3.75Å; F271-L275 HydrophobicContact CZ-CD2 3.91Å; F271-L275 WeakPolarHBondContact O-CB 3.35Å; F271-L275 PolarHBondContact O-N 2.95Å; L272-L275 PolarHBondContact O-N 2.9Å; Q273-L275 VanDerWaalsContact C-N 3.3Å; Q273-L275 PolarHBondContact O-N 2.88Å; L275-F410 HydrophobicContact CD1-CE2 4.39Å; L275-F410 HydrophobicContact CG-CE2 3.94Å; L275-F410 HydrophobicContact CG-CZ 4.48Å; L275-F410 WeakPolarHBondContact O-CZ 3.46Å |
| 276 | E | 73.5 | Confident | 76.5 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -102.9 | -5.2 | -166.2 | -51.3 | -160.2 | 166.9 | 0 | 0 | 113.9 | Y224 L272 I278 K286 F410 R411 | Y224-E276 WeakPolarHBondContact CE1-OE1 3.48Å; Y224-E276 PolarHBondContact OH-OE1 3.26Å; L272-E276 VanDerWaalsContact O-CB 3.31Å; L272-E276 WeakPolarHBondContact O-CB 3.26Å; L272-E276 PolarHBondContact O-N 2.88Å; E276-I278 HydrophobicContact CB-CD1 4.29Å; E276-I278 HydrophobicContact CB-CG1 4.23Å; E276-I278 HydrophobicContact CB-CG2 3.98Å; E276-I278 PolarHBondContact O-N 3.38Å; E276-K286 WeakPolarHBondContact OE1-CE 3.25Å; E276-K286 IonicContact OE1-NZ 3.58Å; E276-K286 PolarHBondContact OE1-NZ 2.97Å; E276-K286 WeakPolarHBondContact OE2-CD 3.44Å; E276-K286 IonicContact OE2-NZ 3.89Å; E276-K286 PolarHBondContact OE2-NZ 2.82Å; E276-F410 HydrophobicContact CG-CE2 4.16Å; E276-R411 HydrophobicContact CB-CG 4.4Å; E276-R411 HydrophobicContact CG-CG 4.43Å; E276-R411 PolarHBondContact O-NH1 3.34Å |
| 277 | G | 60.9 | Low | 76.7 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 60% | 0.598 | 17% | 0.168 | S | C | * | . | trans | 67.1 | 21.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q273 | Q273-G277 VanDerWaalsContact O-CA 3.29Å; Q273-G277 WeakPolarHBondContact O-CA 3.39Å; Q273-G277 PolarHBondContact O-N 2.89Å | ||
| 278 | I | 62.1 | Low | 76.7 | Confident | 33 Ų | 33 | 30.5 Ų | 30.5 | 17% | 0.169 | 17% | 0.168 | C | C | . | . | trans | -89 | 156.4 | -178.7 | 62.3 | -178.4 | 0 | 0 | 0 | 111.6 | L272 Q273 E276 E282 A283 K286 | L272-I278 HydrophobicContact CB-CD1 4.16Å; Q273-I278 WeakPolarHBondContact CG-O 3.11Å; E276-I278 HydrophobicContact CB-CD1 4.29Å; E276-I278 HydrophobicContact CB-CG1 4.23Å; E276-I278 HydrophobicContact CB-CG2 3.98Å; E276-I278 PolarHBondContact O-N 3.38Å; I278-E282 HydrophobicContact CB-CB 3.91Å; I278-E282 HydrophobicContact CD1-CB 4.38Å; I278-E282 HydrophobicContact CG1-CB 4.45Å; I278-A283 HydrophobicContact CD1-CB 3.9Å; I278-A283 HydrophobicContact CG1-CB 4.14Å; I278-K286 HydrophobicContact CD1-CD 4.47Å | ||
| 279 | S | 60.2 | Low | 76.6 | Confident | 53 Ų | 53 | 35.3 Ų | 35.3 | 37% | 0.371 | 19% | 0.194 | S | C | . | . | trans | -70.6 | 162.5 | 172.9 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | E282 A283 | S279-E282 VanDerWaalsContact CB-OE2 3.22Å; S279-E282 WeakPolarHBondContact CB-OE2 3.3Å; S279-E282 PolarHBondContact N-OE2 2.93Å; S279-E282 PolarHBondContact O-N 3.15Å; S279-E282 VanDerWaalsContact OG-CD 3.3Å; S279-E282 WeakPolarHBondContact OG-CG 3.39Å; S279-E282 PolarHBondContact OG-OE2 3.38Å; S279-A283 PolarHBondContact O-N 2.92Å | ||
| 280 | F | 65.9 | Low | 76.6 | Confident | 56 Ų | 56 | 38 Ų | 38 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 178.2 | 177.4 | -92.7 | 0 | 0 | 0 | 113.2 | I208 Y269 E282 A283 V284 | I208-F280 HydrophobicContact CD1-CE1 3.85Å; I208-F280 HydrophobicContact CD1-CZ 4.41Å; I208-F280 HydrophobicContact CG1-CE1 4.43Å; I208-F280 HydrophobicContact CG2-CE1 4.33Å; I208-F280 HydrophobicContact CG2-CZ 3.84Å; Y269-F280 AromaticContact CD2-CE2 3.77Å; Y269-F280 HydrophobicContact CD2-CE2 3.77Å; Y269-F280 HydrophobicContact CD2-CZ 4.14Å; Y269-F280 HydrophobicContact CG-CE2 4.08Å; F280-E282 PolarHBondContact O-N 3.31Å; F280-A283 WeakPolarHBondContact O-CB 3.12Å; F280-A283 PolarHBondContact O-N 3.38Å; F280-V284 HydrophobicContact CD1-CG2 4.17Å; F280-V284 HydrophobicContact CE1-CG2 3.78Å; F280-V284 HydrophobicContact CE2-CG2 4.25Å; F280-V284 HydrophobicContact CZ-CG2 3.83Å; F280-V284 WeakPolarHBondContact O-CG2 3.26Å; F280-V284 PolarHBondContact O-N 3.01Å |
| 281 | P | 68.3 | Low | 76.7 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 31% | 0.312 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.4 | -39.1 | 175.2 | -23.8 | 35.1 | 0 | 0 | 0 | 113.7 | A283 V284 K285 I299 | P281-A283 VanDerWaalsContact C-N 3.35Å; P281-V284 PolarHBondContact O-N 3.45Å; P281-K285 WeakPolarHBondContact O-CB 3.27Å; P281-K285 PolarHBondContact O-N 3.3Å; P281-I299 HydrophobicContact CB-CD1 3.88Å; P281-I299 VanDerWaalsContact O-CD1 3.27Å; P281-I299 WeakPolarHBondContact O-CD1 3.27Å |
| 282 | E | 69.3 | Low | 76.3 | Confident | 75 Ų | 75 | 48.9 Ų | 48.9 | 35% | 0.35 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 174.7 | -70.5 | 166.6 | 125.4 | 0 | 0 | 111.6 | I278 S279 F280 K285 K286 | I278-E282 HydrophobicContact CB-CB 3.91Å; I278-E282 HydrophobicContact CD1-CB 4.38Å; I278-E282 HydrophobicContact CG1-CB 4.45Å; S279-E282 VanDerWaalsContact CB-OE2 3.22Å; S279-E282 WeakPolarHBondContact CB-OE2 3.3Å; S279-E282 PolarHBondContact N-OE2 2.93Å; S279-E282 PolarHBondContact O-N 3.15Å; S279-E282 VanDerWaalsContact OG-CD 3.3Å; S279-E282 WeakPolarHBondContact OG-CG 3.39Å; S279-E282 PolarHBondContact OG-OE2 3.38Å; F280-E282 PolarHBondContact O-N 3.31Å; E282-K285 PolarHBondContact O-N 3.08Å; E282-K286 WeakPolarHBondContact O-CB 3.4Å; E282-K286 PolarHBondContact O-N 3Å |
| 283 | A | 74.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L272 Q273 I278 S279 F280 P281 K286 V287 | L272-A283 HydrophobicContact CB-CB 4.16Å; Q273-A283 HydrophobicContact CG-CB 3.78Å; I278-A283 HydrophobicContact CD1-CB 3.9Å; I278-A283 HydrophobicContact CG1-CB 4.14Å; S279-A283 PolarHBondContact O-N 2.92Å; F280-A283 WeakPolarHBondContact O-CB 3.12Å; F280-A283 PolarHBondContact O-N 3.38Å; P281-A283 VanDerWaalsContact C-N 3.35Å; A283-K286 PolarHBondContact O-N 3.31Å; A283-V287 WeakPolarHBondContact O-CG2 3.49Å; A283-V287 PolarHBondContact O-N 2.82Å |
| 284 | V | 81.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176.5 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | I203 I208 V211 Y269 F280 P281 K286 V287 A288 L295 | I203-V284 HydrophobicContact CD1-CB 3.42Å; I203-V284 VanDerWaalsContact CD1-CB 3.42Å; I203-V284 HydrophobicContact CD1-CG1 3.36Å; I203-V284 HydrophobicContact CD1-CG2 4.32Å; I203-V284 HydrophobicContact CG2-CG1 4.43Å; I208-V284 HydrophobicContact CG1-CG1 4.15Å; I208-V284 HydrophobicContact CG1-CG2 4.3Å; I208-V284 HydrophobicContact CG2-CG2 4.23Å; V211-V284 HydrophobicContact CG1-CG1 4.39Å; Y269-V284 HydrophobicContact CD1-CB 4.23Å; Y269-V284 HydrophobicContact CD1-CG2 3.7Å; Y269-V284 HydrophobicContact CD2-CG2 4.08Å; Y269-V284 HydrophobicContact CE1-CB 3.95Å; Y269-V284 HydrophobicContact CE1-CG1 4.07Å; Y269-V284 HydrophobicContact CE1-CG2 3.68Å; Y269-V284 HydrophobicContact CE2-CG2 4.02Å; Y269-V284 HydrophobicContact CG-CG2 3.91Å; F280-V284 HydrophobicContact CD1-CG2 4.17Å; F280-V284 HydrophobicContact CE1-CG2 3.78Å; F280-V284 HydrophobicContact CE2-CG2 4.25Å; F280-V284 HydrophobicContact CZ-CG2 3.83Å; F280-V284 WeakPolarHBondContact O-CG2 3.26Å; F280-V284 PolarHBondContact O-N 3.01Å; P281-V284 PolarHBondContact O-N 3.45Å; V284-K286 PolarHBondContact O-N 2.95Å; V284-V287 PolarHBondContact O-N 3.4Å; V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.19Å; V284-L295 HydrophobicContact CG1-CD2 4.38Å |
| 285 | K | 81.5 | Confident | 75.4 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 172.6 | 172.7 | 169.7 | 172.7 | 179.8 | 0 | 112.3 | P281 E282 V287 A288 D289 L295 I299 | P281-K285 WeakPolarHBondContact O-CB 3.27Å; P281-K285 PolarHBondContact O-N 3.3Å; E282-K285 PolarHBondContact O-N 3.08Å; K285-V287 VanDerWaalsContact C-N 3.32Å; K285-V287 PolarHBondContact O-N 2.96Å; K285-A288 PolarHBondContact O-N 3.48Å; K285-D289 WeakPolarHBondContact CG-OD2 3.45Å; K285-D289 WeakPolarHBondContact O-CB 3.32Å; K285-D289 PolarHBondContact O-N 2.97Å; K285-L295 HydrophobicContact CB-CD1 3.62Å; K285-L295 HydrophobicContact CG-CD1 4.14Å; K285-I299 HydrophobicContact CB-CD1 3.77Å; K285-I299 HydrophobicContact CD-CB 3.81Å; K285-I299 HydrophobicContact CD-CD1 4.16Å; K285-I299 HydrophobicContact CD-CG1 4.11Å; K285-I299 PolarHBondContact NZ-O 3.26Å |
| 286 | K | 83.6 | Confident | 74.3 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 27% | 0.265 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 178.7 | -176.9 | 160.1 | -171.2 | 158.4 | 0 | 112.8 | Y224 L272 E276 I278 E282 A283 V284 M290 | Y224-K286 WeakPolarHBondContact OH-CE 3.4Å; L272-K286 HydrophobicContact CD1-CB 4.3Å; L272-K286 HydrophobicContact CD1-CD 4.4Å; L272-K286 HydrophobicContact CD1-CG 4.19Å; E276-K286 WeakPolarHBondContact OE1-CE 3.25Å; E276-K286 IonicContact OE1-NZ 3.58Å; E276-K286 PolarHBondContact OE1-NZ 2.97Å; E276-K286 WeakPolarHBondContact OE2-CD 3.44Å; E276-K286 IonicContact OE2-NZ 3.89Å; E276-K286 PolarHBondContact OE2-NZ 2.82Å; I278-K286 HydrophobicContact CD1-CD 4.47Å; E282-K286 WeakPolarHBondContact O-CB 3.4Å; E282-K286 PolarHBondContact O-N 3Å; A283-K286 PolarHBondContact O-N 3.31Å; V284-K286 PolarHBondContact O-N 2.95Å; K286-M290 HydrophobicContact CD-CE 4.33Å; K286-M290 HydrophobicContact CG-CE 3.93Å; K286-M290 VanDerWaalsContact O-CG 3.29Å; K286-M290 WeakPolarHBondContact O-CG 3.47Å; K286-M290 PolarHBondContact O-N 3.37Å; K286-M290 VanDerWaalsContact O-N 3.1Å |
| 287 | V | 87.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | V211 T215 V268 Y269 L272 A283 V284 K285 D289 M290 E291 | V211-V287 HydrophobicContact CG1-CB 3.87Å; V211-V287 HydrophobicContact CG1-CG1 3.54Å; T215-V287 HydrophobicContact CG2-CG1 3.85Å; T215-V287 WeakPolarHBondContact OG1-CG1 3.45Å; V268-V287 HydrophobicContact CG1-CG1 4.49Å; V268-V287 HydrophobicContact CG1-CG2 4.25Å; V268-V287 HydrophobicContact CG2-CG2 3.91Å; Y269-V287 HydrophobicContact CD1-CB 4.41Å; Y269-V287 HydrophobicContact CD1-CG2 3.83Å; Y269-V287 HydrophobicContact CE1-CB 3.85Å; Y269-V287 HydrophobicContact CE1-CG1 4.19Å; Y269-V287 HydrophobicContact CE1-CG2 3.75Å; L272-V287 HydrophobicContact CD1-CG2 3.43Å; L272-V287 VanDerWaalsContact CD1-CG2 3.43Å; A283-V287 WeakPolarHBondContact O-CG2 3.49Å; A283-V287 PolarHBondContact O-N 2.82Å; V284-V287 PolarHBondContact O-N 3.4Å; K285-V287 VanDerWaalsContact C-N 3.32Å; K285-V287 PolarHBondContact O-N 2.96Å; V287-D289 VanDerWaalsContact C-N 3.33Å; V287-D289 PolarHBondContact O-N 2.94Å; V287-M290 WeakPolarHBondContact O-CB 3.49Å; V287-M290 PolarHBondContact O-N 3.13Å; V287-M290 VanDerWaalsContact O-N 3.1Å; V287-E291 PolarHBondContact O-N 3.24Å |
| 288 | A | 85.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V211 V284 K285 M290 E291 Q292 I293 L295 | V211-A288 HydrophobicContact CG1-CB 4.08Å; V211-A288 HydrophobicContact CG2-CB 3.78Å; V284-A288 WeakPolarHBondContact O-CB 3.34Å; V284-A288 PolarHBondContact O-N 3.19Å; K285-A288 PolarHBondContact O-N 3.48Å; A288-M290 VanDerWaalsContact C-N 3.33Å; A288-M290 PolarHBondContact O-N 2.88Å; A288-E291 CarbonylContact O-C 3.51Å; A288-E291 PolarHBondContact O-N 2.81Å; A288-Q292 CarbonylContact O-C 3.53Å; A288-Q292 WeakPolarHBondContact O-CA 3.47Å; A288-Q292 PolarHBondContact O-N 3.39Å; A288-I293 HydrophobicContact CB-CB 4.3Å; A288-I293 WeakPolarHBondContact CB-O 3.42Å; A288-I293 PolarHBondContact O-N 3.35Å; A288-L295 HydrophobicContact CB-CD1 4.31Å; A288-L295 HydrophobicContact CB-CD2 3.58Å; A288-L295 HydrophobicContact CB-CG 3.71Å |
| 289 | D | 84.8 | Confident | 72.3 | Confident | 105 Ų | 105 | 58.5 Ų | 58.5 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 174 | -68.4 | -24.9 | 0 | 0 | 0 | 111.7 | K285 V287 | K285-D289 WeakPolarHBondContact CG-OD2 3.45Å; K285-D289 WeakPolarHBondContact O-CB 3.32Å; K285-D289 PolarHBondContact O-N 2.97Å; V287-D289 VanDerWaalsContact C-N 3.33Å; V287-D289 PolarHBondContact O-N 2.94Å |
| 290 | M | 84 | Confident | 71.5 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 27% | 0.271 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.8 | -43.2 | 174.3 | -73.7 | 174.2 | -178.7 | 0 | 0 | 112.4 | V220 Q223 K286 V287 A288 Q292 | V220-M290 HydrophobicContact CG1-SD 4.01Å; V220-M290 HydrophobicContact CG2-SD 4.15Å; Q223-M290 PolarHBondContact NE2-SD 3.11Å; K286-M290 HydrophobicContact CD-CE 4.33Å; K286-M290 HydrophobicContact CG-CE 3.93Å; K286-M290 VanDerWaalsContact O-CG 3.29Å; K286-M290 WeakPolarHBondContact O-CG 3.47Å; K286-M290 PolarHBondContact O-N 3.37Å; K286-M290 VanDerWaalsContact O-N 3.1Å; V287-M290 WeakPolarHBondContact O-CB 3.49Å; V287-M290 PolarHBondContact O-N 3.13Å; V287-M290 VanDerWaalsContact O-N 3.1Å; A288-M290 VanDerWaalsContact C-N 3.33Å; A288-M290 PolarHBondContact O-N 2.88Å; M290-Q292 VanDerWaalsContact C-N 3.31Å |
| 291 | E | 81.1 | Confident | 70.2 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 1 | 178.3 | -56.9 | -55.2 | 161.2 | 0 | 0 | 114 | T215 V287 A288 I293 | T215-E291 VanDerWaalsContact CA-OE1 3.32Å; T215-E291 WeakPolarHBondContact CA-OE1 3.28Å; T215-E291 WeakPolarHBondContact CB-OE1 3.38Å; T215-E291 VanDerWaalsContact OG1-CD 3.31Å; T215-E291 WeakPolarHBondContact OG1-CG 3.43Å; T215-E291 PolarHBondContact OG1-OE1 3.2Å; V287-E291 PolarHBondContact O-N 3.24Å; A288-E291 CarbonylContact O-C 3.51Å; A288-E291 PolarHBondContact O-N 2.81Å; E291-I293 HydrophobicContact CB-CD1 3.59Å; E291-I293 HydrophobicContact CB-CG1 3.75Å; E291-I293 HydrophobicContact CG-CD1 4.19Å; E291-I293 PolarHBondContact O-N 3.04Å |
| 292 | Q | 80.5 | Confident | 68.5 | Low | 177 Ų | 177 | 64.7 Ų | 64.7 | 83% | 0.827 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 31.1 | -174.2 | -49.7 | -172 | -38.1 | 0 | 0 | 114.3 | A288 M290 P294 | A288-Q292 CarbonylContact O-C 3.53Å; A288-Q292 WeakPolarHBondContact O-CA 3.47Å; A288-Q292 PolarHBondContact O-N 3.39Å; M290-Q292 VanDerWaalsContact C-N 3.31Å; Q292-P294 WeakPolarHBondContact O-CD 3.38Å |
| 293 | I | 77.5 | Confident | 66.8 | Low | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.082 | 38% | 0.378 | C | S | . | . | trans | -87.3 | 116.9 | 178.3 | -60.9 | 167.4 | 0 | 0 | 0 | 109.3 | V211 K214 A288 E291 L295 | V211-I293 HydrophobicContact CB-CD1 4.29Å; V211-I293 HydrophobicContact CG2-CB 4.15Å; V211-I293 HydrophobicContact CG2-CD1 3.97Å; V211-I293 HydrophobicContact CG2-CG2 3.76Å; K214-I293 HydrophobicContact CB-CD1 3.85Å; K214-I293 HydrophobicContact CD-CD1 3.56Å; K214-I293 HydrophobicContact CD-CG1 4.18Å; K214-I293 HydrophobicContact CG-CD1 4.33Å; A288-I293 HydrophobicContact CB-CB 4.3Å; A288-I293 WeakPolarHBondContact CB-O 3.42Å; A288-I293 PolarHBondContact O-N 3.35Å; E291-I293 HydrophobicContact CB-CD1 3.59Å; E291-I293 HydrophobicContact CB-CG1 3.75Å; E291-I293 HydrophobicContact CG-CD1 4.19Å; E291-I293 PolarHBondContact O-N 3.04Å; I293-L295 PolarHBondContact O-N 3.21Å | ||
| 294 | P | 72.5 | Confident | 65 | Low | 114 Ų | 114 | 70.4 Ų | 70.4 | 74% | 0.74 | 40% | 0.4 | S | S | * | . | trans | -72.5 | 113.3 | 178.6 | 28.9 | -33.3 | 0 | 0 | 0 | 110.5 | Q292 G296 | Q292-P294 WeakPolarHBondContact O-CD 3.38Å; P294-G296 PolarHBondContact O-N 3.15Å; P294-G296 VanDerWaalsContact O-N 3.16Å | ||
| 295 | L | 67.5 | Low | 62.7 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 9% | 0.089 | 42% | 0.419 | C | S | . | . | trans | -65.3 | -14.3 | 177.2 | -72.4 | -173.4 | 0 | 0 | 0 | 114.7 | I203 V207 V211 V284 K285 A288 I293 I297 I299 | I203-L295 HydrophobicContact CD1-CD1 3.65Å; I203-L295 HydrophobicContact CD1-CD2 4.15Å; I203-L295 HydrophobicContact CG1-CD1 4.02Å; I203-L295 HydrophobicContact CG1-CD2 4.45Å; I203-L295 HydrophobicContact CG2-CD2 3.89Å; V207-L295 HydrophobicContact CG1-CD2 3.64Å; V211-L295 HydrophobicContact CG2-CD2 4.06Å; V284-L295 HydrophobicContact CG1-CD2 4.38Å; K285-L295 HydrophobicContact CB-CD1 3.62Å; K285-L295 HydrophobicContact CG-CD1 4.14Å; A288-L295 HydrophobicContact CB-CD1 4.31Å; A288-L295 HydrophobicContact CB-CD2 3.58Å; A288-L295 HydrophobicContact CB-CG 3.71Å; I293-L295 PolarHBondContact O-N 3.21Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 PolarHBondContact O-N 3.23Å; L295-I299 HydrophobicContact CD1-CD1 4.27Å | ||
| 296 | G | 58.9 | Low | 60.4 | Low | 81 Ų | 81 | 80 Ų | 80 | 84% | 0.835 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 67.3 | 1.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P294 | P294-G296 PolarHBondContact O-N 3.15Å; P294-G296 VanDerWaalsContact O-N 3.16Å |
| 297 | I | 56.4 | Low | 58 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 16% | 0.164 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -127.5 | 138.1 | 175.5 | 63.7 | 168.4 | 0 | 0 | 0 | 110.7 | I203 L295 I299 | I203-I297 HydrophobicContact CB-CD1 4.36Å; I203-I297 HydrophobicContact CG1-CD1 3.6Å; I203-I297 HydrophobicContact CG1-CG1 4.36Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 PolarHBondContact O-N 3.23Å; I297-I299 HydrophobicContact CD1-CD1 4.44Å; I297-I299 HydrophobicContact CD1-CG1 3.91Å; I297-I299 HydrophobicContact CG1-CG1 4.14Å; I297-I299 PolarHBondContact O-N 3.17Å |
| 298 | E | 48.3 | Very low | 56.3 | Low | 172 Ų | 172 | 84 Ų | 84 | 80% | 0.804 | 48% | 0.479 | S | S | * | . | trans | -78.1 | 98.8 | 161.8 | -72.2 | -165.6 | 166.9 | 0 | 0 | 108.6 | S300 | E298-S300 PolarHBondContact O-N 2.82Š| ||
| 299 | I | 50 | Low | 55.3 | Low | 37 Ų | 37 | 87.9 Ų | 87.9 | 19% | 0.19 | 50% | 0.503 | C | S | . | . | trans | -68.7 | 94 | 156.4 | -48.2 | -171.6 | 0 | 0 | 0 | 106.3 | I203 P281 K285 L295 I297 S301 | I203-I299 HydrophobicContact CD1-CD1 4.03Å; I203-I299 HydrophobicContact CG1-CD1 4.23Å; P281-I299 HydrophobicContact CB-CD1 3.88Å; P281-I299 VanDerWaalsContact O-CD1 3.27Å; P281-I299 WeakPolarHBondContact O-CD1 3.27Å; K285-I299 HydrophobicContact CB-CD1 3.77Å; K285-I299 HydrophobicContact CD-CB 3.81Å; K285-I299 HydrophobicContact CD-CD1 4.16Å; K285-I299 HydrophobicContact CD-CG1 4.11Å; K285-I299 PolarHBondContact NZ-O 3.26Å; L295-I299 HydrophobicContact CD1-CD1 4.27Å; I297-I299 HydrophobicContact CD1-CD1 4.44Å; I297-I299 HydrophobicContact CD1-CG1 3.91Å; I297-I299 HydrophobicContact CG1-CG1 4.14Å; I297-I299 PolarHBondContact O-N 3.17Å; I299-S301 PolarHBondContact O-N 3.04Å | ||
| 300 | S | 42.2 | Very low | 54.7 | Low | 65 Ų | 65 | 84 Ų | 84 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | trans | -65.6 | 121.1 | 172.5 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | E298 E302 | E298-S300 PolarHBondContact O-N 2.82Å; S300-E302 PolarHBondContact O-N 3.05Å | ||
| 301 | S | 38.8 | Very low | 54.4 | Low | 113 Ų | 113 | 85.9 Ų | 85.9 | 79% | 0.79 | 50% | 0.496 | S | S | * | . | trans | -72.9 | 70.7 | 158.1 | 55.2 | 0 | 0 | 0 | 0 | 107.8 | I299 | I299-S301 PolarHBondContact O-N 3.04Š| ||
| 302 | E | 33.6 | Very low | 54.3 | Low | 108 Ų | 108 | 87 Ų | 87 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | trans | -57.9 | 139.9 | 176.9 | -90.7 | -168.6 | -177.9 | 0 | 0 | 110.1 | S300 V304 | S300-E302 PolarHBondContact O-N 3.05Å; E302-V304 PolarHBondContact O-N 3.3Å; E302-V304 VanDerWaalsContact O-N 3.07Å | ||
| 303 | P | 34.2 | Very low | 54.5 | Low | 120 Ų | 120 | 81 Ų | 81 | 78% | 0.779 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -65.7 | 113 | -176.4 | 25.7 | -33.6 | 0 | 0 | 0 | 111.4 | N305 | P303-N305 PolarHBondContact O-N 3.25Š|
| 304 | V | 36.2 | Very low | 55.2 | Low | 76 Ų | 76 | 80.3 Ų | 80.3 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | trans | 35.2 | 79.2 | 159 | -167.3 | 0 | 0 | 0 | 0 | 114.8 | E302 S308 Q313 A316 | E302-V304 PolarHBondContact O-N 3.3Å; E302-V304 VanDerWaalsContact O-N 3.07Å; V304-S308 WeakPolarHBondContact CG1-OG 3.13Å; V304-Q313 HydrophobicContact CG1-CG 3.89Å; V304-A316 HydrophobicContact CG2-CB 3.69Å | ||
| 305 | N | 32.5 | Very low | 56.1 | Low | 72 Ų | 72 | 75.6 Ų | 75.6 | 39% | 0.385 | 44% | 0.438 | S | S | . | . | trans | -59.1 | 151.2 | 162.3 | -89.2 | -60.3 | 0 | 0 | 0 | 111 | P303 T307 S308 | P303-N305 PolarHBondContact O-N 3.25Å; N305-T307 WeakPolarHBondContact CB-OG1 3.14Å; N305-T307 PolarHBondContact O-N 3.01Å; N305-S308 WeakPolarHBondContact O-CB 3.39Å; N305-S308 PolarHBondContact O-N 2.9Å; N305-S308 PolarHBondContact O-OG 3Å | ||
| 306 | Q | 32.7 | Very low | 57 | Low | 195 Ų | 195 | 76.1 Ų | 76.1 | 91% | 0.911 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -5.5 | 173.6 | -66.7 | -178.6 | -5.3 | 0 | 0 | 113.9 | ||
| 307 | T | 33.1 | Very low | 58.7 | Low | 122 Ų | 122 | 73 Ų | 73 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.8 | 173.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | N305 | N305-T307 WeakPolarHBondContact CB-OG1 3.14Å; N305-T307 PolarHBondContact O-N 3.01Å |
| 308 | S | 51.5 | Low | 60.6 | Low | 23 Ų | 23 | 71.4 Ų | 71.4 | 16% | 0.161 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -60.3 | 148.2 | 171.9 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | V304 N305 Q313 | V304-S308 WeakPolarHBondContact CG1-OG 3.13Å; N305-S308 WeakPolarHBondContact O-CB 3.39Å; N305-S308 PolarHBondContact O-N 2.9Å; N305-S308 PolarHBondContact O-OG 3Å; S308-Q313 WeakPolarHBondContact OG-CG 3.39Å; S308-Q313 PolarHBondContact OG-NE2 3.22Å; S308-Q313 VanDerWaalsContact OG-NE2 3.08Å |
| 309 | T | 64.1 | Low | 62.7 | Low | 81 Ų | 81 | 66.2 Ų | 66.2 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | trans | -66.7 | 152.1 | 174.4 | 67.6 | 0 | 0 | 0 | 0 | 109.9 | Q311 Q312 Q313 | T309-Q311 PolarHBondContact O-N 3.4Å; T309-Q312 VanDerWaalsContact N-OE1 3.08Å; T309-Q312 WeakPolarHBondContact O-CB 3.3Å; T309-Q312 PolarHBondContact O-N 3.37Å; T309-Q312 PolarHBondContact OG1-N 3.35Å; T309-Q313 PolarHBondContact O-N 3.28Å | ||
| 310 | G | 74.1 | Confident | 64.7 | Low | 25 Ų | 25 | 69.7 Ų | 69.7 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.2 | -30.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q313 L314 | G310-Q313 PolarHBondContact O-N 2.83Å; G310-L314 WeakPolarHBondContact O-CG 3.49Å; G310-L314 PolarHBondContact O-N 2.79Å; G310-L314 VanDerWaalsContact O-N 3.12Å |
| 311 | Q | 77 | Confident | 67.2 | Low | 94 Ų | 94 | 66.7 Ų | 66.7 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 176.1 | -160.2 | -177.8 | 25.2 | 0 | 0 | 112.5 | T309 Q313 L314 I315 L443 | T309-Q311 PolarHBondContact O-N 3.4Å; Q311-Q313 VanDerWaalsContact C-N 3.33Å; Q311-Q313 PolarHBondContact O-N 3.28Å; Q311-L314 PolarHBondContact O-N 2.86Å; Q311-I315 HydrophobicContact CG-CD1 4.48Å; Q311-I315 WeakPolarHBondContact O-CG1 3.37Å; Q311-I315 PolarHBondContact O-N 3.46Å; Q311-L443 HydrophobicContact CG-CD2 3.42Å; Q311-L443 VanDerWaalsContact CG-CD2 3.42Å |
| 312 | Q | 79.3 | Confident | 69.9 | Low | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.411 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 175.4 | -73.8 | 172.4 | -28.6 | 0 | 0 | 111.6 | T309 L314 I315 A316 | T309-Q312 VanDerWaalsContact N-OE1 3.08Å; T309-Q312 WeakPolarHBondContact O-CB 3.3Å; T309-Q312 PolarHBondContact O-N 3.37Å; T309-Q312 PolarHBondContact OG1-N 3.35Å; Q312-L314 VanDerWaalsContact C-N 3.35Å; Q312-L314 PolarHBondContact O-N 3.02Å; Q312-I315 PolarHBondContact O-N 2.69Å; Q312-A316 WeakPolarHBondContact O-CB 3.46Å; Q312-A316 PolarHBondContact O-N 3.39Å |
| 313 | Q | 85.2 | Confident | 72.6 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.7 | -63.2 | -179.4 | -21.4 | 0 | 0 | 112 | V304 S308 T309 G310 Q311 L317 L380 | V304-Q313 HydrophobicContact CG1-CG 3.89Å; S308-Q313 WeakPolarHBondContact OG-CG 3.39Å; S308-Q313 PolarHBondContact OG-NE2 3.22Å; S308-Q313 VanDerWaalsContact OG-NE2 3.08Å; T309-Q313 PolarHBondContact O-N 3.28Å; G310-Q313 PolarHBondContact O-N 2.83Å; Q311-Q313 VanDerWaalsContact C-N 3.33Å; Q311-Q313 PolarHBondContact O-N 3.28Å; Q313-L317 WeakPolarHBondContact O-CB 3.27Å; Q313-L317 PolarHBondContact O-N 3.05Å; Q313-L317 VanDerWaalsContact O-N 3.1Å; Q313-L380 HydrophobicContact CB-CD1 3.93Å; Q313-L380 HydrophobicContact CB-CD2 3.9Å |
| 314 | L | 91.3 | Very high | 75 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 174.8 | -69 | 175.6 | 0 | 0 | 0 | 112.5 | G310 Q311 Q312 L317 H318 L380 R383 E442 L443 | G310-L314 WeakPolarHBondContact O-CG 3.49Å; G310-L314 PolarHBondContact O-N 2.79Å; G310-L314 VanDerWaalsContact O-N 3.12Å; Q311-L314 PolarHBondContact O-N 2.86Å; Q312-L314 VanDerWaalsContact C-N 3.35Å; Q312-L314 PolarHBondContact O-N 3.02Å; L314-L317 PolarHBondContact O-N 3.13Å; L314-H318 PolarHBondContact O-N 3.07Å; L314-H318 VanDerWaalsContact O-N 3.1Å; L314-H318 PolarHBondContact O-ND1 3.31Å; L314-L380 HydrophobicContact CD2-CB 4.1Å; L314-L380 HydrophobicContact CD2-CD2 3.88Å; L314-L380 VanDerWaalsContact CD2-O 3.24Å; L314-L380 WeakPolarHBondContact CD2-O 3.32Å; L314-L380 HydrophobicContact CG-CD2 4Å; L314-R383 HydrophobicContact CD1-CB 4.09Å; L314-R383 HydrophobicContact CD2-CB 4.2Å; L314-E442 HydrophobicContact CD1-CG 3.63Å; L314-E442 VanDerWaalsContact CD1-OE1 3.29Å; L314-E442 WeakPolarHBondContact CD1-OE1 3.01Å; L314-L443 HydrophobicContact CB-CD1 3.62Å; L314-L443 HydrophobicContact CB-CG 4.15Å |
| 315 | I | 90.8 | Very high | 77.9 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.2 | -68.2 | 164.7 | 0 | 0 | 0 | 110.1 | Q311 Q312 L317 H318 E319 K413 L443 | Q311-I315 HydrophobicContact CG-CD1 4.48Å; Q311-I315 WeakPolarHBondContact O-CG1 3.37Å; Q311-I315 PolarHBondContact O-N 3.46Å; Q312-I315 PolarHBondContact O-N 2.69Å; I315-L317 VanDerWaalsContact C-N 3.26Å; I315-L317 PolarHBondContact O-N 3.1Å; I315-H318 WeakPolarHBondContact O-CA 3.44Å; I315-H318 WeakPolarHBondContact O-CB 3.31Å; I315-H318 PolarHBondContact O-N 3.34Å; I315-E319 HydrophobicContact CG2-CG 4.41Å; I315-E319 PolarHBondContact O-N 2.65Å; I315-K413 HydrophobicContact CG2-CB 4.02Å; I315-K413 HydrophobicContact CG2-CD 4.27Å; I315-K413 HydrophobicContact CG2-CG 4.37Å; I315-L443 HydrophobicContact CD1-CD2 4.31Å; I315-L443 HydrophobicContact CG1-CD1 3.83Å; I315-L443 HydrophobicContact CG1-CD2 3.89Å |
| 316 | A | 87.4 | Confident | 80.8 | Confident | 28 Ų | 28 | 50.3 Ų | 50.3 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.3 | -36.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V304 Q312 E319 R320 | V304-A316 HydrophobicContact CG2-CB 3.69Å; Q312-A316 WeakPolarHBondContact O-CB 3.46Å; Q312-A316 PolarHBondContact O-N 3.39Å; A316-E319 PolarHBondContact O-N 3.42Å; A316-R320 VanDerWaalsContact O-CB 3.24Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 2.61Å |
| 317 | L | 93.1 | Very high | 83.3 | Confident | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -36.1 | 173.6 | 179.8 | 61.1 | 0 | 0 | 0 | 112.6 | Q313 L314 I315 T321 T371 V376 L386 F387 | Q313-L317 WeakPolarHBondContact O-CB 3.27Å; Q313-L317 PolarHBondContact O-N 3.05Å; Q313-L317 VanDerWaalsContact O-N 3.1Å; L314-L317 PolarHBondContact O-N 3.13Å; I315-L317 VanDerWaalsContact C-N 3.26Å; I315-L317 PolarHBondContact O-N 3.1Å; L317-T321 VanDerWaalsContact O-CB 3.3Å; L317-T321 WeakPolarHBondContact O-CB 3.33Å; L317-T321 PolarHBondContact O-N 2.84Å; L317-T321 PolarHBondContact O-OG1 3.14Å; L317-T371 HydrophobicContact CD1-CG2 3.94Å; L317-V376 HydrophobicContact CD1-CG2 4.4Å; L317-V376 HydrophobicContact CD2-CG1 4.26Å; L317-L386 HydrophobicContact CD2-CD1 4.41Å; L317-L386 HydrophobicContact CG-CD1 4.05Å; L317-F387 HydrophobicContact CD2-CE2 4.5Å |
| 318 | H | 96.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.1 | -41.7 | 174.2 | -76.9 | 78.2 | 0 | 0 | 0 | 112.3 | L314 I315 T321 G322 S384 P414 I415 F417 | L314-H318 PolarHBondContact O-N 3.07Å; L314-H318 VanDerWaalsContact O-N 3.1Å; L314-H318 PolarHBondContact O-ND1 3.31Å; I315-H318 WeakPolarHBondContact O-CA 3.44Å; I315-H318 WeakPolarHBondContact O-CB 3.31Å; I315-H318 PolarHBondContact O-N 3.34Å; H318-T321 PolarHBondContact O-N 3.29Å; H318-G322 PolarHBondContact O-N 3.46Å; H318-S384 PolarHBondContact CE1-O 3.34Å; H318-S384 VanDerWaalsContact CE1-O 3.26Å; H318-S384 PolarHBondContact NE2-O 3.43Å; H318-P414 HydrophobicContact CB-CB 4.23Å; H318-P414 HydrophobicContact CB-CG 4.18Å; H318-P414 WeakPolarHBondContact CB-O 3.39Å; H318-I415 PolarHBondContact NE2-O 3.06Å; H318-F417 AromaticContact CD2-CE2 3.83Å |
| 319 | E | 93.9 | Very high | 87.4 | Confident | 62 Ų | 62 | 39.9 Ų | 39.9 | 29% | 0.29 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58 | -52.1 | 173.4 | -70.7 | -173.3 | 111.2 | 0 | 0 | 110.5 | I315 A316 T321 G322 D323 K413 P414 | I315-E319 HydrophobicContact CG2-CG 4.41Å; I315-E319 PolarHBondContact O-N 2.65Å; A316-E319 PolarHBondContact O-N 3.42Å; E319-T321 VanDerWaalsContact C-N 3.27Å; E319-T321 PolarHBondContact O-N 3.31Å; E319-G322 PolarHBondContact O-N 2.99Å; E319-G322 VanDerWaalsContact O-N 3.1Å; E319-D323 PolarHBondContact O-N 2.66Å; E319-K413 HydrophobicContact CG-CD 4.48Å; E319-K413 WeakPolarHBondContact OE1-CD 3.5Å; E319-K413 WeakPolarHBondContact OE1-CE 3.09Å; E319-K413 IonicContact OE1-NZ 2.94Å; E319-K413 PolarHBondContact OE1-NZ 3.34Å; E319-K413 IonicContact OE2-NZ 2.97Å; E319-K413 PolarHBondContact OE2-NZ 3.01Å; E319-P414 HydrophobicContact CB-CG 4.3Å; E319-P414 HydrophobicContact CG-CG 3.66Å |
| 320 | R | 91.7 | Very high | 88.2 | Confident | 110 Ų | 110 | 38.2 Ų | 38.2 | 42% | 0.415 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.3 | -41.5 | 176.3 | -177.3 | 57.8 | 172.7 | 149.6 | -0.9 | 112.5 | A316 L324 D374 | A316-R320 VanDerWaalsContact O-CB 3.24Å; A316-R320 WeakPolarHBondContact O-CB 3.49Å; A316-R320 PolarHBondContact O-N 2.61Å; R320-L324 HydrophobicContact CG-CD1 4.14Å; R320-L324 WeakPolarHBondContact O-CB 3.48Å; R320-L324 WeakPolarHBondContact O-CD1 3.08Å; R320-L324 WeakPolarHBondContact O-CG 3.17Å; R320-L324 PolarHBondContact O-N 3.2Å; R320-L324 VanDerWaalsContact O-N 3.1Å; R320-D374 IonicContact NE-OD2 3.24Å; R320-D374 PolarHBondContact NE-OD2 3.1Å |
| 321 | T | 94.4 | Very high | 88.5 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 112 | L317 H318 E319 L324 Y325 L367 L386 F417 | L317-T321 VanDerWaalsContact O-CB 3.3Å; L317-T321 WeakPolarHBondContact O-CB 3.33Å; L317-T321 PolarHBondContact O-N 2.84Å; L317-T321 PolarHBondContact O-OG1 3.14Å; H318-T321 PolarHBondContact O-N 3.29Å; E319-T321 VanDerWaalsContact C-N 3.27Å; E319-T321 PolarHBondContact O-N 3.31Å; T321-L324 PolarHBondContact O-N 3.04Å; T321-Y325 HydrophobicContact CG2-CD2 3.77Å; T321-Y325 HydrophobicContact CG2-CE2 3.46Å; T321-Y325 VanDerWaalsContact CG2-CE2 3.46Å; T321-Y325 PolarHBondContact O-N 2.95Å; T321-L367 HydrophobicContact CG2-CD1 3.71Å; T321-L367 HydrophobicContact CG2-CD2 4.1Å; T321-L386 HydrophobicContact CG2-CD1 4.27Å; T321-L386 HydrophobicContact CG2-CD2 4.41Å; T321-L386 WeakPolarHBondContact OG1-CD1 3.18Å; T321-F417 HydrophobicContact CG2-CE2 3.88Å; T321-F417 HydrophobicContact CG2-CZ 4.02Å |
| 322 | G | 94.9 | Very high | 88.4 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.6 | -47.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H318 E319 L324 Y325 H326 | H318-G322 PolarHBondContact O-N 3.46Å; E319-G322 PolarHBondContact O-N 2.99Å; E319-G322 VanDerWaalsContact O-N 3.1Å; G322-L324 VanDerWaalsContact C-N 3.33Å; G322-L324 PolarHBondContact O-N 3.21Å; G322-Y325 PolarHBondContact O-N 3.43Å; G322-H326 VanDerWaalsContact O-CB 3.28Å; G322-H326 WeakPolarHBondContact O-CB 3.29Å; G322-H326 PolarHBondContact O-N 2.89Å |
| 323 | D | 89.6 | Confident | 88.2 | Confident | 89 Ų | 89 | 43.8 Ų | 43.8 | 48% | 0.476 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 176.2 | -75.7 | -28.5 | 0 | 0 | 0 | 112.3 | E319 H327 | E319-D323 PolarHBondContact O-N 2.66Å; D323-H327 VanDerWaalsContact O-CB 3.22Å; D323-H327 WeakPolarHBondContact O-CB 3.26Å; D323-H327 PolarHBondContact O-N 2.71Å |
| 324 | L | 86.5 | Confident | 88 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 177 | -75.4 | 166.8 | 0 | 0 | 0 | 112.2 | R320 T321 G322 H326 H327 L328 V370 | R320-L324 HydrophobicContact CG-CD1 4.14Å; R320-L324 WeakPolarHBondContact O-CB 3.48Å; R320-L324 WeakPolarHBondContact O-CD1 3.08Å; R320-L324 WeakPolarHBondContact O-CG 3.17Å; R320-L324 PolarHBondContact O-N 3.2Å; R320-L324 VanDerWaalsContact O-N 3.1Å; T321-L324 PolarHBondContact O-N 3.04Å; G322-L324 VanDerWaalsContact C-N 3.33Å; G322-L324 PolarHBondContact O-N 3.21Å; L324-H326 PolarHBondContact O-N 3.1Å; L324-H327 PolarHBondContact O-N 2.95Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.12Å; L324-V370 HydrophobicContact CD1-CB 4.42Å; L324-V370 HydrophobicContact CD1-CG1 3.62Å; L324-V370 HydrophobicContact CD1-CG2 4.06Å |
| 325 | Y | 95.7 | Very high | 87.7 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 176.6 | -71.6 | -27.3 | 0 | 0 | 0 | 112.2 | T321 G322 L328 L329 G358 F359 A360 F366 L367 M404 | T321-Y325 HydrophobicContact CG2-CD2 3.77Å; T321-Y325 HydrophobicContact CG2-CE2 3.46Å; T321-Y325 VanDerWaalsContact CG2-CE2 3.46Å; T321-Y325 PolarHBondContact O-N 2.95Å; G322-Y325 PolarHBondContact O-N 3.43Å; Y325-L328 PolarHBondContact O-N 2.85Å; Y325-L329 PolarHBondContact O-N 2.85Å; Y325-L329 VanDerWaalsContact O-N 3.11Å; Y325-G358 VanDerWaalsContact C-CA 3.46Å; Y325-G358 CarbonylContact O-C 3.51Å; Y325-G358 WeakPolarHBondContact O-CA 3.21Å; Y325-F359 VanDerWaalsContact CD1-O 3.23Å; Y325-F359 WeakPolarHBondContact CD1-O 3.45Å; Y325-F359 PolarHBondContact O-N 2.94Å; Y325-A360 HydrophobicContact CD1-CB 4.23Å; Y325-A360 HydrophobicContact CE1-CB 3.67Å; Y325-A360 HydrophobicContact CE2-CB 4.27Å; Y325-F366 HydrophobicContact CD1-CE1 4.48Å; Y325-F366 HydrophobicContact CE1-CD1 4.37Å; Y325-F366 HydrophobicContact CE1-CE1 4.38Å; Y325-L367 HydrophobicContact CE1-CD1 4.38Å; Y325-L367 HydrophobicContact CE1-CD2 4.17Å; Y325-L367 HydrophobicContact CE1-CG 4.3Å; Y325-L367 VanDerWaalsContact OH-CD1 3.28Å; Y325-L367 WeakPolarHBondContact OH-CD1 3.27Å; Y325-M404 HydrophobicContact CD2-CB 4.07Å; Y325-M404 HydrophobicContact CD2-CE 4.29Å; Y325-M404 HydrophobicContact CD2-CG 3.79Å; Y325-M404 HydrophobicContact CE2-CE 3.8Å; Y325-M404 HydrophobicContact CE2-CG 4.02Å; Y325-M404 HydrophobicContact CG-CG 4.23Å |
| 326 | H | 93.5 | Very high | 87.6 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 9% | 0.088 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 175.5 | -179.9 | 61.4 | 0 | 0 | 0 | 111.6 | G322 L324 L329 M330 N353 I357 | G322-H326 VanDerWaalsContact O-CB 3.28Å; G322-H326 WeakPolarHBondContact O-CB 3.29Å; G322-H326 PolarHBondContact O-N 2.89Å; L324-H326 PolarHBondContact O-N 3.1Å; H326-L329 PolarHBondContact O-N 3.26Å; H326-M330 WeakPolarHBondContact O-CG 3.12Å; H326-M330 PolarHBondContact O-N 3.21Å; H326-N353 PolarHBondContact CE1-OD1 3.17Å; H326-N353 VanDerWaalsContact CE1-OD1 3.29Å; H326-N353 PolarHBondContact NE2-OD1 2.74Å; H326-I357 PolarHBondContact ND1-O 2.73Å |
| 327 | H | 85 | Confident | 87.7 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 45% | 0.454 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.2 | -178.1 | 73.6 | 0 | 0 | 0 | 112.3 | D323 L324 L329 M330 N331 | D323-H327 VanDerWaalsContact O-CB 3.22Å; D323-H327 WeakPolarHBondContact O-CB 3.26Å; D323-H327 PolarHBondContact O-N 2.71Å; L324-H327 PolarHBondContact O-N 2.95Å; H327-L329 PolarHBondContact O-N 3.38Å; H327-M330 PolarHBondContact O-N 3.45Å; H327-N331 PolarHBondContact ND1-ND2 3.37Å; H327-N331 VanDerWaalsContact ND1-ND2 3.2Å; H327-N331 WeakPolarHBondContact O-CB 3.22Å; H327-N331 PolarHBondContact O-N 2.9Å; H327-N331 PolarHBondContact O-ND2 2.96Å |
| 328 | L | 81.1 | Confident | 87.8 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 175.1 | -78.3 | -175.4 | 0 | 0 | 0 | 112.1 | L324 Y325 T332 G335 P361 F366 | L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 3.12Å; Y325-L328 PolarHBondContact O-N 2.85Å; L328-T332 HydrophobicContact CD2-CG2 3.97Å; L328-T332 PolarHBondContact O-N 3.34Å; L328-T332 PolarHBondContact O-OG1 2.83Å; L328-G335 WeakPolarHBondContact O-CA 3.23Å; L328-P361 HydrophobicContact CD1-CG 3.93Å; L328-F366 HydrophobicContact CD1-CD1 4.31Å; L328-F366 HydrophobicContact CD1-CE1 3.7Å; L328-F366 HydrophobicContact CD1-CE2 4.14Å; L328-F366 HydrophobicContact CD1-CZ 3.61Å; L328-F366 HydrophobicContact CD2-CE2 4.42Å; L328-F366 HydrophobicContact CD2-CZ 4.31Å; L328-F366 HydrophobicContact CG-CZ 4.1Å |
| 329 | L | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 178.1 | 179.1 | 67.3 | 0 | 0 | 0 | 111.7 | Y325 H326 H327 A338 L339 L342 I352 I357 F359 | Y325-L329 PolarHBondContact O-N 2.85Å; Y325-L329 VanDerWaalsContact O-N 3.11Å; H326-L329 PolarHBondContact O-N 3.26Å; H327-L329 PolarHBondContact O-N 3.38Å; L329-A338 HydrophobicContact CD1-CB 3.7Å; L329-L339 HydrophobicContact CD1-CB 3.96Å; L329-L339 HydrophobicContact CG-CD1 4.43Å; L329-L342 HydrophobicContact CD1-CD1 4.07Å; L329-L342 HydrophobicContact CD2-CD1 3.75Å; L329-I352 HydrophobicContact CD2-CG2 3.84Å; L329-I357 HydrophobicContact CD2-CG2 4.18Å; L329-I357 WeakPolarHBondContact CD2-O 3.13Å; L329-F359 HydrophobicContact CB-CB 4.02Å; L329-F359 HydrophobicContact CD1-CB 4.17Å |
| 330 | M | 81.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -85.1 | -22.3 | -168.1 | -64 | -58.5 | -70.8 | 0 | 0 | 114.7 | H326 H327 L339 D349 I352 | H326-M330 WeakPolarHBondContact O-CG 3.12Å; H326-M330 PolarHBondContact O-N 3.21Å; H327-M330 PolarHBondContact O-N 3.45Å; M330-L339 HydrophobicContact SD-CD1 3.94Å; M330-D349 HydrophobicContact CE-CB 4.39Å; M330-I352 HydrophobicContact CE-CG2 4.47Å; M330-I352 HydrophobicContact CG-CG2 4.44Å; M330-I352 HydrophobicContact SD-CG2 3.5Å; M330-I352 VanDerWaalsContact SD-CG2 3.5Å |
| 331 | N | 78.9 | Confident | 88 | Confident | 108 Ų | 108 | 54.5 Ų | 54.5 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -130.1 | 6.7 | -166.1 | -54.6 | -89.7 | 0 | 0 | 0 | 114.7 | H327 | H327-N331 PolarHBondContact ND1-ND2 3.37Å; H327-N331 VanDerWaalsContact ND1-ND2 3.2Å; H327-N331 WeakPolarHBondContact O-CB 3.22Å; H327-N331 PolarHBondContact O-N 2.9Å; H327-N331 PolarHBondContact O-ND2 2.96Å |
| 332 | T | 75.7 | Confident | 88.1 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.239 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -133.3 | 149.2 | -176.9 | 82.4 | 0 | 0 | 0 | 0 | 113.1 | L328 V334 G335 E336 | L328-T332 HydrophobicContact CD2-CG2 3.97Å; L328-T332 PolarHBondContact O-N 3.34Å; L328-T332 PolarHBondContact O-OG1 2.83Å; T332-V334 PolarHBondContact O-N 2.8Å; T332-V334 VanDerWaalsContact O-N 3.16Å; T332-G335 WeakPolarHBondContact O-CA 3.5Å; T332-G335 PolarHBondContact O-N 2.86Å; T332-G335 PolarHBondContact OG1-N 3.3Å; T332-E336 PolarHBondContact O-N 3.45Å |
| 333 | K | 75.3 | Confident | 88.1 | Confident | 177 Ų | 177 | 58.2 Ų | 58.2 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.1 | 175.6 | -63.1 | -171.4 | 175.2 | -169.9 | 0 | 114 | ||
| 334 | V | 80.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.4 | 175.9 | 176.5 | 0 | 0 | 0 | 0 | 111 | T332 F359 P361 | T332-V334 PolarHBondContact O-N 2.8Å; T332-V334 VanDerWaalsContact O-N 3.16Å; V334-F359 HydrophobicContact CG1-CD1 4.43Å; V334-F359 HydrophobicContact CG1-CE1 3.96Å; V334-F359 WeakPolarHBondContact O-CE1 3.4Å; V334-P361 HydrophobicContact CG1-CB 3.95Å |
| 335 | G | 85.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L328 T332 E337 A338 L339 | L328-G335 WeakPolarHBondContact O-CA 3.23Å; T332-G335 WeakPolarHBondContact O-CA 3.5Å; T332-G335 PolarHBondContact O-N 2.86Å; T332-G335 PolarHBondContact OG1-N 3.3Å; G335-E337 PolarHBondContact O-N 2.69Å; G335-A338 CarbonylContact O-C 3.57Å; G335-A338 WeakPolarHBondContact O-CA 3.47Å; G335-A338 WeakPolarHBondContact O-CB 3.3Å; G335-A338 PolarHBondContact O-N 2.92Å; G335-L339 PolarHBondContact O-N 3.13Å |
| 336 | E | 87.6 | Confident | 88.3 | Confident | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -55 | -48.8 | -172.8 | -76.8 | 173.8 | 155 | 0 | 0 | 112.9 | T332 A338 L339 E340 | T332-E336 PolarHBondContact O-N 3.45Å; E336-A338 VanDerWaalsContact C-N 3.28Å; E336-A338 PolarHBondContact O-N 2.98Å; E336-L339 PolarHBondContact O-N 2.99Å; E336-E340 WeakPolarHBondContact O-CB 3.37Å; E336-E340 PolarHBondContact O-N 2.81Å |
| 337 | E | 91.3 | Very high | 88.3 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -31.3 | 177.6 | -173 | 178.6 | -162.4 | 0 | 0 | 112.4 | G335 Y341 T424 | G335-E337 PolarHBondContact O-N 2.69Å; E337-Y341 VanDerWaalsContact O-CB 3.28Å; E337-Y341 WeakPolarHBondContact O-CB 3.41Å; E337-Y341 PolarHBondContact O-N 2.86Å; E337-Y341 VanDerWaalsContact O-N 3.15Å; E337-T424 VanDerWaalsContact CD-CG2 3.42Å; E337-T424 HydrophobicContact CG-CG2 4.49Å; E337-T424 WeakPolarHBondContact OE1-CB 3.37Å; E337-T424 VanDerWaalsContact OE1-CG2 3.28Å; E337-T424 WeakPolarHBondContact OE1-CG2 3.34Å; E337-T424 VanDerWaalsContact OE2-CG2 3.27Å; E337-T424 WeakPolarHBondContact OE2-CG2 3.22Å |
| 338 | A | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.3 | -33 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L329 G335 E336 L342 F359 V403 L422 | L329-A338 HydrophobicContact CD1-CB 3.7Å; G335-A338 CarbonylContact O-C 3.57Å; G335-A338 WeakPolarHBondContact O-CA 3.47Å; G335-A338 WeakPolarHBondContact O-CB 3.3Å; G335-A338 PolarHBondContact O-N 2.92Å; E336-A338 VanDerWaalsContact C-N 3.28Å; E336-A338 PolarHBondContact O-N 2.98Å; A338-L342 WeakPolarHBondContact O-CG 3.36Å; A338-L342 PolarHBondContact O-N 2.9Å; A338-F359 HydrophobicContact CB-CB 4.19Å; A338-F359 HydrophobicContact CB-CD1 4.29Å; A338-F359 HydrophobicContact CB-CD2 3.52Å; A338-F359 HydrophobicContact CB-CE2 3.91Å; A338-F359 HydrophobicContact CB-CG 3.75Å; A338-F359 HydrophobicContact CB-CZ 4.43Å; A338-V403 HydrophobicContact CB-CG2 4.44Å; A338-L422 HydrophobicContact CB-CD2 3.61Å |
| 339 | L | 93.9 | Very high | 89.3 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.7 | -46 | 176.7 | -176.2 | 60.8 | 0 | 0 | 0 | 110.9 | L329 M330 G335 E336 Y341 L342 H343 I352 | L329-L339 HydrophobicContact CD1-CB 3.96Å; L329-L339 HydrophobicContact CG-CD1 4.43Å; M330-L339 HydrophobicContact SD-CD1 3.94Å; G335-L339 PolarHBondContact O-N 3.13Å; E336-L339 PolarHBondContact O-N 2.99Å; L339-Y341 VanDerWaalsContact C-N 3.29Å; L339-Y341 PolarHBondContact O-N 2.67Å; L339-L342 WeakPolarHBondContact O-CA 3.44Å; L339-L342 WeakPolarHBondContact O-CB 3.47Å; L339-L342 PolarHBondContact O-N 2.91Å; L339-H343 PolarHBondContact O-N 3.5Å; L339-I352 HydrophobicContact CD1-CD1 3.8Å |
| 340 | E | 96 | Very high | 89.4 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -56.2 | -44.7 | 172.8 | -175.1 | 171 | -150.9 | 0 | 0 | 110.7 | E336 L342 H343 E344 | E336-E340 WeakPolarHBondContact O-CB 3.37Å; E336-E340 PolarHBondContact O-N 2.81Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3Å; E340-H343 PolarHBondContact O-N 3.42Å; E340-H343 VanDerWaalsContact O-N 3.15Å; E340-E344 WeakPolarHBondContact O-CG 3.47Å; E340-E344 PolarHBondContact O-N 3.38Å |
| 341 | Y | 95.9 | Very high | 90.1 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.5 | -34.1 | 172.8 | 172.1 | -99.4 | 0 | 0 | 0 | 114.2 | E337 L339 R345 V403 R420 L422 | E337-Y341 VanDerWaalsContact O-CB 3.28Å; E337-Y341 WeakPolarHBondContact O-CB 3.41Å; E337-Y341 PolarHBondContact O-N 2.86Å; E337-Y341 VanDerWaalsContact O-N 3.15Å; L339-Y341 VanDerWaalsContact C-N 3.29Å; L339-Y341 PolarHBondContact O-N 2.67Å; Y341-R345 HydrophobicContact CE1-CG 4.3Å; Y341-R345 HydrophobicContact CE2-CG 4.49Å; Y341-R345 WeakPolarHBondContact O-CG 3.39Å; Y341-R345 PolarHBondContact O-N 3.23Å; Y341-R345 PolarHBondContact OH-NE 3.02Å; Y341-V403 HydrophobicContact CD1-CG2 4.17Å; Y341-V403 HydrophobicContact CE1-CG2 4.43Å; Y341-R420 PolarHBondContact OH-NE 3.49Å; Y341-R420 PolarHBondContact OH-NH2 3.48Å; Y341-L422 HydrophobicContact CD1-CD1 3.83Å; Y341-L422 HydrophobicContact CD2-CD1 3.97Å; Y341-L422 HydrophobicContact CE1-CD1 4.43Å; Y341-L422 HydrophobicContact CG-CD1 3.56Å |
| 342 | L | 96.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -77.3 | -33.6 | 176.3 | -70.5 | 165.7 | 0 | 0 | 0 | 112 | L329 A338 L339 E340 R345 G346 L347 I352 I357 V403 | L329-L342 HydrophobicContact CD1-CD1 4.07Å; L329-L342 HydrophobicContact CD2-CD1 3.75Å; A338-L342 WeakPolarHBondContact O-CG 3.36Å; A338-L342 PolarHBondContact O-N 2.9Å; L339-L342 WeakPolarHBondContact O-CA 3.44Å; L339-L342 WeakPolarHBondContact O-CB 3.47Å; L339-L342 PolarHBondContact O-N 2.91Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3Å; L342-R345 CarbonylContact O-C 3.15Å; L342-R345 WeakPolarHBondContact O-CB 3.47Å; L342-R345 PolarHBondContact O-N 3.4Å; L342-G346 PolarHBondContact O-N 3.26Å; L342-L347 HydrophobicContact CB-CB 4.49Å; L342-L347 HydrophobicContact CD2-CD1 4.32Å; L342-L347 HydrophobicContact CD2-CD2 3.97Å; L342-L347 WeakPolarHBondContact O-CB 3.36Å; L342-L347 PolarHBondContact O-N 2.97Å; L342-I352 HydrophobicContact CB-CD1 4.04Å; L342-I352 HydrophobicContact CD1-CD1 4.28Å; L342-I357 HydrophobicContact CD1-CG2 3.88Å; L342-V403 HydrophobicContact CD1-CG1 3.93Å; L342-V403 HydrophobicContact CD1-CG2 4.48Å; L342-V403 HydrophobicContact CD2-CG1 3.96Å; L342-V403 HydrophobicContact CG-CG1 4.36Å; L342-V403 HydrophobicContact CG-CG2 4.5Å |
| 343 | H | 95.7 | Very high | 91.8 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.3 | -40.8 | 171.7 | -65.1 | 169.3 | 0 | 0 | 0 | 111.8 | L339 E340 R345 G346 L347 D349 | L339-H343 PolarHBondContact O-N 3.5Å; E340-H343 PolarHBondContact O-N 3.42Å; E340-H343 VanDerWaalsContact O-N 3.15Å; H343-R345 PolarHBondContact O-N 3.12Å; H343-G346 WeakPolarHBondContact O-CA 3.25Å; H343-G346 PolarHBondContact O-N 3.2Å; H343-L347 PolarHBondContact CD2-O 3.26Å; H343-D349 IonicContact CD2-OD1 2.86Å; H343-D349 IonicContact CE1-OD1 2.95Å; H343-D349 IonicContact NE2-OD1 2.68Å; H343-D349 PolarHBondContact NE2-OD1 2.75Å |
| 344 | E | 93.4 | Very high | 92.7 | Very high | 152 Ų | 152 | 60.6 Ų | 60.6 | 71% | 0.71 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.7 | -29.7 | 170.2 | -75 | -170.2 | 154.8 | 0 | 0 | 112.5 | E340 G346 | E340-E344 WeakPolarHBondContact O-CG 3.47Å; E340-E344 PolarHBondContact O-N 3.38Å; E344-G346 PolarHBondContact O-N 3.47Å |
| 345 | R | 91.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 57.6 Ų | 57.6 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.3 | 173 | -73.9 | -82.1 | 169.8 | 179.3 | -14.3 | 113.6 | Y341 L342 H343 L347 R420 D550 | Y341-R345 HydrophobicContact CE1-CG 4.3Å; Y341-R345 HydrophobicContact CE2-CG 4.49Å; Y341-R345 WeakPolarHBondContact O-CG 3.39Å; Y341-R345 PolarHBondContact O-N 3.23Å; Y341-R345 PolarHBondContact OH-NE 3.02Å; L342-R345 CarbonylContact O-C 3.15Å; L342-R345 WeakPolarHBondContact O-CB 3.47Å; L342-R345 PolarHBondContact O-N 3.4Å; H343-R345 PolarHBondContact O-N 3.12Å; R345-L347 HydrophobicContact CB-CD1 3.41Å; R345-L347 VanDerWaalsContact CB-CD1 3.41Å; R345-R420 VanDerWaalsContact NH1-NH2 3.11Å; R345-D550 IonicContact NH1-OD2 2.78Å |
| 346 | G | 90.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 11.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L342 H343 E344 Q480 | L342-G346 PolarHBondContact O-N 3.26Å; H343-G346 WeakPolarHBondContact O-CA 3.25Å; H343-G346 PolarHBondContact O-N 3.2Å; E344-G346 PolarHBondContact O-N 3.47Å; G346-Q480 PolarHBondContact O-NE2 3.01Å |
| 347 | L | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | trans | -79.2 | 132.4 | 175.2 | -70 | 80.2 | 0 | 0 | 0 | 109.6 | L342 H343 R345 L351 I352 I357 M473 L476 | L342-L347 HydrophobicContact CB-CB 4.49Å; L342-L347 HydrophobicContact CD2-CD1 4.32Å; L342-L347 HydrophobicContact CD2-CD2 3.97Å; L342-L347 WeakPolarHBondContact O-CB 3.36Å; L342-L347 PolarHBondContact O-N 2.97Å; H343-L347 PolarHBondContact CD2-O 3.26Å; R345-L347 HydrophobicContact CB-CD1 3.41Å; R345-L347 VanDerWaalsContact CB-CD1 3.41Å; L347-L351 HydrophobicContact CB-CD2 4.16Å; L347-L351 HydrophobicContact CD2-CD2 4.18Å; L347-L351 HydrophobicContact CG-CD2 3.92Å; L347-I352 HydrophobicContact CB-CD1 4.35Å; L347-I352 HydrophobicContact CB-CG1 4.24Å; L347-I357 HydrophobicContact CD2-CD1 3.56Å; L347-M473 HydrophobicContact CD1-CE 4.19Å; L347-L476 HydrophobicContact CD2-CD1 3.97Å | ||
| 348 | S | 93.9 | Very high | 94.6 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | trans | -84.8 | 158.6 | 173.3 | 63 | 0 | 0 | 0 | 0 | 112.2 | D350 L351 I352 | S348-D350 PolarHBondContact O-N 2.91Å; S348-L351 WeakPolarHBondContact O-CB 3.27Å; S348-L351 PolarHBondContact O-N 3.49Å; S348-L351 PolarHBondContact OG-N 2.8Å; S348-I352 WeakPolarHBondContact O-CG1 3.41Å; S348-I352 PolarHBondContact O-N 3.49Å | ||
| 349 | D | 92.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.1 | -38.3 | 174.6 | -66.6 | -11.4 | 0 | 0 | 0 | 111.9 | M330 H343 L351 I352 N353 | M330-D349 HydrophobicContact CE-CB 4.39Å; H343-D349 IonicContact CD2-OD1 2.86Å; H343-D349 IonicContact CE1-OD1 2.95Å; H343-D349 IonicContact NE2-OD1 2.68Å; H343-D349 PolarHBondContact NE2-OD1 2.75Å; D349-L351 VanDerWaalsContact C-N 3.32Å; D349-L351 PolarHBondContact O-N 2.94Å; D349-I352 PolarHBondContact O-N 3.05Å; D349-N353 VanDerWaalsContact O-CB 3.31Å; D349-N353 WeakPolarHBondContact O-CB 3.47Å; D349-N353 PolarHBondContact O-N 3.47Å; D349-N353 PolarHBondContact O-ND2 2.83Å |
| 350 | D | 94.1 | Very high | 94.8 | Very high | 131 Ų | 131 | 50.2 Ų | 50.2 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 174.9 | -69.9 | -25.5 | 0 | 0 | 0 | 112.1 | S348 N353 E354 | S348-D350 PolarHBondContact O-N 2.91Å; D350-N353 PolarHBondContact O-N 2.91Å; D350-E354 VanDerWaalsContact O-CB 3.22Å; D350-E354 WeakPolarHBondContact O-CB 3.3Å; D350-E354 PolarHBondContact O-N 3.14Å |
| 351 | L | 94.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -40.6 | 177.5 | -170.9 | 72.9 | 0 | 0 | 0 | 111.7 | L347 S348 D349 N353 E354 F355 L476 W479 Q480 | L347-L351 HydrophobicContact CB-CD2 4.16Å; L347-L351 HydrophobicContact CD2-CD2 4.18Å; L347-L351 HydrophobicContact CG-CD2 3.92Å; S348-L351 WeakPolarHBondContact O-CB 3.27Å; S348-L351 PolarHBondContact O-N 3.49Å; S348-L351 PolarHBondContact OG-N 2.8Å; D349-L351 VanDerWaalsContact C-N 3.32Å; D349-L351 PolarHBondContact O-N 2.94Å; L351-N353 VanDerWaalsContact C-N 3.33Å; L351-E354 PolarHBondContact O-N 2.66Å; L351-F355 HydrophobicContact CD1-CD2 3.79Å; L351-F355 HydrophobicContact CD1-CE2 3.73Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 PolarHBondContact O-N 3Å; L351-L476 HydrophobicContact CD1-CD2 4.17Å; L351-L476 HydrophobicContact CD2-CB 4.27Å; L351-L476 HydrophobicContact CD2-CD2 4.37Å; L351-L476 HydrophobicContact CG-CD2 4.23Å; L351-W479 HydrophobicContact CD1-CB 4.31Å; L351-W479 HydrophobicContact CD1-CG 3.95Å; L351-Q480 HydrophobicContact CD1-CG 4.43Å; L351-Q480 HydrophobicContact CD2-CG 3.69Å |
| 352 | I | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 175.6 | -70.4 | 166.8 | 0 | 0 | 0 | 110.7 | L329 M330 L339 L342 L347 S348 D349 K356 I357 | L329-I352 HydrophobicContact CD2-CG2 3.84Å; M330-I352 HydrophobicContact CE-CG2 4.47Å; M330-I352 HydrophobicContact CG-CG2 4.44Å; M330-I352 HydrophobicContact SD-CG2 3.5Å; M330-I352 VanDerWaalsContact SD-CG2 3.5Å; L339-I352 HydrophobicContact CD1-CD1 3.8Å; L342-I352 HydrophobicContact CB-CD1 4.04Å; L342-I352 HydrophobicContact CD1-CD1 4.28Å; L347-I352 HydrophobicContact CB-CD1 4.35Å; L347-I352 HydrophobicContact CB-CG1 4.24Å; S348-I352 WeakPolarHBondContact O-CG1 3.41Å; S348-I352 PolarHBondContact O-N 3.49Å; D349-I352 PolarHBondContact O-N 3.05Å; I352-K356 WeakPolarHBondContact O-CA 3.13Å; I352-K356 PolarHBondContact O-N 3.22Å; I352-I357 HydrophobicContact CG1-CD1 4.31Å; I352-I357 HydrophobicContact CG2-CB 4.22Å; I352-I357 PolarHBondContact O-N 2.89Å |
| 353 | N | 94.7 | Very high | 93.8 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.9 | -46 | 176.1 | -72.5 | -39.4 | 0 | 0 | 0 | 112.6 | H326 D349 D350 L351 F355 K356 | H326-N353 PolarHBondContact CE1-OD1 3.17Å; H326-N353 VanDerWaalsContact CE1-OD1 3.29Å; H326-N353 PolarHBondContact NE2-OD1 2.74Å; D349-N353 VanDerWaalsContact O-CB 3.31Å; D349-N353 WeakPolarHBondContact O-CB 3.47Å; D349-N353 PolarHBondContact O-N 3.47Å; D349-N353 PolarHBondContact O-ND2 2.83Å; D350-N353 PolarHBondContact O-N 2.91Å; L351-N353 VanDerWaalsContact C-N 3.33Å; N353-F355 PolarHBondContact O-N 3.43Å; N353-K356 PolarHBondContact O-N 3.43Å |
| 354 | E | 94.5 | Very high | 93.5 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 179.7 | 176.3 | 60.6 | -136.7 | 0 | 0 | 112 | D350 L351 K455 W479 | D350-E354 VanDerWaalsContact O-CB 3.22Å; D350-E354 WeakPolarHBondContact O-CB 3.3Å; D350-E354 PolarHBondContact O-N 3.14Å; L351-E354 PolarHBondContact O-N 2.66Å; E354-K455 VanDerWaalsContact O-CE 3.28Å; E354-K455 WeakPolarHBondContact O-CE 3.4Å; E354-K455 PolarHBondContact O-NZ 3.28Å; E354-K455 IonicContact OE1-NZ 3.18Å; E354-K455 PolarHBondContact OE1-NZ 2.75Å; E354-W479 HydrophobicContact CG-CH2 4.29Å; E354-W479 HydrophobicContact CG-CZ2 3.6Å |
| 355 | F | 96.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 0.7 | 179 | -78.1 | -89.7 | 0 | 0 | 0 | 114.3 | L351 N353 I357 P406 F451 N452 K455 L476 W479 | L351-F355 HydrophobicContact CD1-CD2 3.79Å; L351-F355 HydrophobicContact CD1-CE2 3.73Å; L351-F355 HydrophobicContact CG-CD2 4.26Å; L351-F355 PolarHBondContact O-N 3Å; N353-F355 PolarHBondContact O-N 3.43Å; F355-I357 HydrophobicContact CB-CD1 4.31Å; F355-I357 HydrophobicContact CB-CG1 3.89Å; F355-I357 PolarHBondContact O-N 2.9Å; F355-P406 WeakPolarHBondContact O-CD 3.44Å; F355-F451 HydrophobicContact CD1-CE1 4.24Å; F355-F451 AromaticContact CD1-CZ 3.65Å; F355-F451 HydrophobicContact CD1-CZ 3.65Å; F355-F451 AromaticContact CE1-CE1 3.9Å; F355-F451 HydrophobicContact CE1-CE1 3.9Å; F355-F451 AromaticContact CE1-CZ 3.78Å; F355-F451 HydrophobicContact CE1-CZ 3.78Å; F355-N452 HydrophobicContact CE1-CB 4.24Å; F355-N452 VanDerWaalsContact CE1-OD1 3.25Å; F355-N452 WeakPolarHBondContact CE1-OD1 3.17Å; F355-N452 WeakPolarHBondContact CZ-OD1 3.39Å; F355-K455 HydrophobicContact CE1-CD 4.16Å; F355-K455 HydrophobicContact CZ-CD 4.3Å; F355-L476 HydrophobicContact CB-CD2 4.31Å; F355-L476 HydrophobicContact CD1-CD2 3.79Å; F355-L476 HydrophobicContact CD2-CD2 3.4Å; F355-L476 HydrophobicContact CE1-CD2 3.88Å; F355-L476 HydrophobicContact CE2-CD2 3.51Å; F355-L476 HydrophobicContact CG-CD2 3.54Å; F355-L476 HydrophobicContact CZ-CD2 3.75Å; F355-W479 HydrophobicContact CE2-CB 4.42Å; F355-W479 AromaticContact CE2-CD2 3.67Å; F355-W479 HydrophobicContact CE2-CD2 3.67Å; F355-W479 AromaticContact CE2-CE2 3.93Å; F355-W479 AromaticContact CE2-CE3 3.96Å; F355-W479 HydrophobicContact CE2-CE3 3.96Å; F355-W479 AromaticContact CE2-CG 3.89Å; F355-W479 HydrophobicContact CE2-CG 3.89Å; F355-W479 HydrophobicContact CE2-CZ2 4.44Å; F355-W479 HydrophobicContact CE2-CZ3 4.44Å; F355-W479 AromaticContact CZ-CD2 3.87Å; F355-W479 HydrophobicContact CZ-CD2 3.87Å; F355-W479 AromaticContact CZ-CE3 3.66Å; F355-W479 HydrophobicContact CZ-CE3 3.66Å; F355-W479 HydrophobicContact CZ-CG 4.3Å; F355-W479 HydrophobicContact CZ-CZ3 4.07Å |
| 356 | K | 95.5 | Very high | 93.2 | Very high | 95 Ų | 95 | 44.5 Ų | 44.5 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 42.6 | -176.8 | -66 | -70.3 | 178.6 | 177.2 | 0 | 112.5 | I352 N353 G358 P406 | I352-K356 WeakPolarHBondContact O-CA 3.13Å; I352-K356 PolarHBondContact O-N 3.22Å; N353-K356 PolarHBondContact O-N 3.43Å; K356-G358 PolarHBondContact O-N 3.38Å; K356-P406 HydrophobicContact CB-CG 4.09Å; K356-P406 WeakPolarHBondContact O-CD 3.45Å; K356-P406 VanDerWaalsContact O-CG 3.31Å; K356-P406 WeakPolarHBondContact O-CG 3.44Å |
| 357 | I | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -63.9 | 137.3 | 176 | -56.3 | 175.5 | 0 | 0 | 0 | 107.8 | H326 L329 L342 L347 I352 F355 V403 M404 F405 L476 | H326-I357 PolarHBondContact ND1-O 2.73Å; L329-I357 HydrophobicContact CD2-CG2 4.18Å; L329-I357 WeakPolarHBondContact CD2-O 3.13Å; L342-I357 HydrophobicContact CD1-CG2 3.88Å; L347-I357 HydrophobicContact CD2-CD1 3.56Å; I352-I357 HydrophobicContact CG1-CD1 4.31Å; I352-I357 HydrophobicContact CG2-CB 4.22Å; I352-I357 PolarHBondContact O-N 2.89Å; F355-I357 HydrophobicContact CB-CD1 4.31Å; F355-I357 HydrophobicContact CB-CG1 3.89Å; F355-I357 PolarHBondContact O-N 2.9Å; I357-V403 HydrophobicContact CG2-CG1 3.5Å; I357-V403 VanDerWaalsContact CG2-CG1 3.5Å; I357-M404 WeakPolarHBondContact CA-O 3.49Å; I357-F405 HydrophobicContact CD1-CD1 4.15Å; I357-F405 HydrophobicContact CD1-CE1 3.7Å; I357-F405 HydrophobicContact CG1-CD1 4Å; I357-F405 HydrophobicContact CG1-CE1 4Å; I357-F405 HydrophobicContact CG2-CD1 4.5Å; I357-F405 HydrophobicContact CG2-CE1 4.17Å; I357-F405 HydrophobicContact CG2-CZ 4.37Å; I357-L476 HydrophobicContact CD1-CD1 4.15Å | ||
| 358 | G | 97.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | -173.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y325 K356 V403 M404 | Y325-G358 VanDerWaalsContact C-CA 3.46Å; Y325-G358 CarbonylContact O-C 3.51Å; Y325-G358 WeakPolarHBondContact O-CA 3.21Å; K356-G358 PolarHBondContact O-N 3.38Å; G358-V403 CarbonylContact O-C 3.54Å; G358-V403 WeakPolarHBondContact O-CA 3.31Å; G358-M404 PolarHBondContact N-O 2.89Å; G358-M404 PolarHBondContact O-N 2.89Å |
| 359 | F | 96.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 125.3 | 177.9 | -177.5 | -121.9 | 0 | 0 | 0 | 111.3 | Y325 L329 V334 A338 P361 R402 L422 | Y325-F359 VanDerWaalsContact CD1-O 3.23Å; Y325-F359 WeakPolarHBondContact CD1-O 3.45Å; Y325-F359 PolarHBondContact O-N 2.94Å; L329-F359 HydrophobicContact CB-CB 4.02Å; L329-F359 HydrophobicContact CD1-CB 4.17Å; V334-F359 HydrophobicContact CG1-CD1 4.43Å; V334-F359 HydrophobicContact CG1-CE1 3.96Å; V334-F359 WeakPolarHBondContact O-CE1 3.4Å; A338-F359 HydrophobicContact CB-CB 4.19Å; A338-F359 HydrophobicContact CB-CD1 4.29Å; A338-F359 HydrophobicContact CB-CD2 3.52Å; A338-F359 HydrophobicContact CB-CE2 3.91Å; A338-F359 HydrophobicContact CB-CG 3.75Å; A338-F359 HydrophobicContact CB-CZ 4.43Å; F359-P361 HydrophobicContact CE1-CB 4.27Å; F359-R402 VanDerWaalsContact CD2-O 3.28Å; F359-R402 WeakPolarHBondContact CD2-O 3.31Å; F359-L422 HydrophobicContact CD2-CD2 4.43Å; F359-L422 HydrophobicContact CE2-CB 4.38Å; F359-L422 HydrophobicContact CE2-CD2 3.66Å; F359-L422 HydrophobicContact CZ-CD2 4.12Å |
| 360 | A | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y325 F399 Q401 R402 M404 | Y325-A360 HydrophobicContact CD1-CB 4.23Å; Y325-A360 HydrophobicContact CE1-CB 3.67Å; Y325-A360 HydrophobicContact CE2-CB 4.27Å; A360-F399 HydrophobicContact CB-CB 3.95Å; A360-Q401 VanDerWaalsContact O-CA 3.28Å; A360-Q401 WeakPolarHBondContact O-CA 3.47Å; A360-Q401 PolarHBondContact O-N 3.31Å; A360-R402 PolarHBondContact N-O 3.49Å; A360-R402 PolarHBondContact O-N 3.42Å; A360-M404 HydrophobicContact CB-CG 3.66Å; A360-M404 HydrophobicContact CB-SD 3.78Å |
| 361 | P | 90.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -74.3 | 175.8 | -173.4 | 34.7 | -38 | 0 | 0 | 0 | 111.7 | L328 V334 F359 Q363 F366 Y400 Q401 | L328-P361 HydrophobicContact CD1-CG 3.93Å; V334-P361 HydrophobicContact CG1-CB 3.95Å; F359-P361 HydrophobicContact CE1-CB 4.27Å; P361-Q363 VanDerWaalsContact C-N 3.34Å; P361-Q363 PolarHBondContact O-N 2.9Å; P361-F366 HydrophobicContact CG-CB 4.06Å; P361-F366 HydrophobicContact CG-CD1 4.16Å; P361-F366 HydrophobicContact CG-CD2 4.48Å; P361-F366 HydrophobicContact CG-CG 3.96Å; P361-Y400 CarbonylContact O-C 3.34Å; P361-Y400 WeakPolarHBondContact O-CA 3.46Å; P361-Y400 WeakPolarHBondContact O-CB 3.48Å; P361-Q401 PolarHBondContact O-N 2.85Å | ||
| 362 | S | 89.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -73.8 | -22.4 | -178 | 56.3 | 0 | 0 | 0 | 0 | 114 | R364 | S362-R364 PolarHBondContact O-N 3.49Š|
| 363 | Q | 86.4 | Confident | 89.8 | Confident | 100 Ų | 100 | 49.8 Ų | 49.8 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | trans | -66.4 | 121.3 | 176.5 | -66 | 78.5 | 8.4 | 0 | 0 | 110.6 | P361 D365 | P361-Q363 VanDerWaalsContact C-N 3.34Å; P361-Q363 PolarHBondContact O-N 2.9Å; Q363-D365 PolarHBondContact O-N 3.1Å | ||
| 364 | R | 90.2 | Very high | 89.1 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 19.7 | -175.1 | -62.3 | -168.7 | 61.6 | -155.4 | -6.6 | 114.1 | S362 S396 D397 Y400 | S362-R364 PolarHBondContact O-N 3.49Å; R364-S396 CarbonylContact O-C 3.33Å; R364-S396 VanDerWaalsContact O-CA 3.29Å; R364-S396 WeakPolarHBondContact O-CA 3.42Å; R364-S396 VanDerWaalsContact O-CB 3.25Å; R364-S396 WeakPolarHBondContact O-CB 3.4Å; R364-D397 PolarHBondContact O-N 3.37Å; R364-Y400 HydrophobicContact CG-CD1 4.01Å; R364-Y400 HydrophobicContact CG-CD2 4.29Å; R364-Y400 HydrophobicContact CG-CG 3.8Å |
| 365 | D | 88.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 55.4 Ų | 55.4 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 9.6 | -179.6 | 66.2 | -42.9 | 0 | 0 | 0 | 112.3 | Q363 V368 Q369 | Q363-D365 PolarHBondContact O-N 3.1Å; D365-V368 HydrophobicContact CB-CB 4.43Å; D365-V368 PolarHBondContact O-N 3.13Å; D365-Q369 VanDerWaalsContact O-CG 3.32Å; D365-Q369 WeakPolarHBondContact O-CG 3.45Å; D365-Q369 PolarHBondContact O-N 3.49Å; D365-Q369 PolarHBondContact OD2-NE2 3.43Å |
| 366 | F | 88.7 | Confident | 88 | Confident | 45 Ų | 45 | 56.5 Ų | 56.5 | 20% | 0.197 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.9 | -53.3 | -179 | 167.9 | -101.3 | 0 | 0 | 0 | 111.7 | Y325 L328 P361 V368 Q369 V370 D397 | Y325-F366 HydrophobicContact CD1-CE1 4.48Å; Y325-F366 HydrophobicContact CE1-CD1 4.37Å; Y325-F366 HydrophobicContact CE1-CE1 4.38Å; L328-F366 HydrophobicContact CD1-CD1 4.31Å; L328-F366 HydrophobicContact CD1-CE1 3.7Å; L328-F366 HydrophobicContact CD1-CE2 4.14Å; L328-F366 HydrophobicContact CD1-CZ 3.61Å; L328-F366 HydrophobicContact CD2-CE2 4.42Å; L328-F366 HydrophobicContact CD2-CZ 4.31Å; L328-F366 HydrophobicContact CG-CZ 4.1Å; P361-F366 HydrophobicContact CG-CB 4.06Å; P361-F366 HydrophobicContact CG-CD1 4.16Å; P361-F366 HydrophobicContact CG-CD2 4.48Å; P361-F366 HydrophobicContact CG-CG 3.96Å; F366-V368 VanDerWaalsContact C-N 3.29Å; F366-V368 PolarHBondContact O-N 2.87Å; F366-Q369 PolarHBondContact O-N 3.43Å; F366-V370 HydrophobicContact CZ-CG2 4.37Å; F366-V370 WeakPolarHBondContact O-CG2 3.4Å; F366-V370 PolarHBondContact O-N 2.85Å; F366-V370 VanDerWaalsContact O-N 3.14Å; F366-D397 PolarHBondContact N-OD2 2.73Å; F366-D397 VanDerWaalsContact N-OD2 3.08Å |
| 367 | L | 89.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.2 | -28.7 | 175.3 | -64.5 | -175.4 | 0 | 0 | 0 | 112 | T321 Y325 V370 T371 F387 D397 | T321-L367 HydrophobicContact CG2-CD1 3.71Å; T321-L367 HydrophobicContact CG2-CD2 4.1Å; Y325-L367 HydrophobicContact CE1-CD1 4.38Å; Y325-L367 HydrophobicContact CE1-CD2 4.17Å; Y325-L367 HydrophobicContact CE1-CG 4.3Å; Y325-L367 VanDerWaalsContact OH-CD1 3.28Å; Y325-L367 WeakPolarHBondContact OH-CD1 3.27Å; L367-V370 PolarHBondContact O-N 3.46Å; L367-T371 WeakPolarHBondContact O-CB 3.27Å; L367-T371 WeakPolarHBondContact O-CG2 3.32Å; L367-T371 PolarHBondContact O-N 3.23Å; L367-T371 PolarHBondContact O-OG1 3.19Å; L367-F387 HydrophobicContact CB-CE1 3.55Å; L367-F387 HydrophobicContact CB-CZ 3.69Å; L367-F387 HydrophobicContact CD1-CZ 4.49Å; L367-D397 PolarHBondContact N-OD1 2.93Å; L367-D397 PolarHBondContact N-OD2 3.35Å |
| 368 | V | 89 | Confident | 87.2 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 173.5 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | D365 F366 T371 Q372 M381 F387 F395 D397 | D365-V368 HydrophobicContact CB-CB 4.43Å; D365-V368 PolarHBondContact O-N 3.13Å; F366-V368 VanDerWaalsContact C-N 3.29Å; F366-V368 PolarHBondContact O-N 2.87Å; V368-T371 WeakPolarHBondContact CA-OG1 3.49Å; V368-T371 PolarHBondContact O-N 3.03Å; V368-T371 PolarHBondContact O-OG1 3.39Å; V368-Q372 VanDerWaalsContact O-CG 3.26Å; V368-Q372 WeakPolarHBondContact O-CG 3.45Å; V368-Q372 PolarHBondContact O-N 2.97Å; V368-Q372 VanDerWaalsContact O-N 3.11Å; V368-M381 HydrophobicContact CG2-CE 4.31Å; V368-F387 HydrophobicContact CG2-CD1 3.78Å; V368-F387 HydrophobicContact CG2-CE1 3.78Å; V368-F395 HydrophobicContact CG2-CB 3.96Å; V368-D397 PolarHBondContact N-OD1 2.89Å |
| 369 | Q | 84.1 | Confident | 86.9 | Confident | 98 Ų | 98 | 62.9 Ų | 62.9 | 46% | 0.458 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 175.2 | -69.5 | 175.5 | 27.2 | 0 | 0 | 111.9 | D365 F366 Q372 Q373 | D365-Q369 VanDerWaalsContact O-CG 3.32Å; D365-Q369 WeakPolarHBondContact O-CG 3.45Å; D365-Q369 PolarHBondContact O-N 3.49Å; D365-Q369 PolarHBondContact OD2-NE2 3.43Å; F366-Q369 PolarHBondContact O-N 3.43Å; Q369-Q372 PolarHBondContact O-N 3.37Å; Q369-Q373 WeakPolarHBondContact O-CG 3.34Å; Q369-Q373 PolarHBondContact O-N 2.86Å |
| 370 | V | 81 | Confident | 86.6 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | L324 F366 L367 Q372 Q373 D374 | L324-V370 HydrophobicContact CD1-CB 4.42Å; L324-V370 HydrophobicContact CD1-CG1 3.62Å; L324-V370 HydrophobicContact CD1-CG2 4.06Å; F366-V370 HydrophobicContact CZ-CG2 4.37Å; F366-V370 WeakPolarHBondContact O-CG2 3.4Å; F366-V370 PolarHBondContact O-N 2.85Å; F366-V370 VanDerWaalsContact O-N 3.14Å; L367-V370 PolarHBondContact O-N 3.46Å; V370-Q372 VanDerWaalsContact C-N 3.26Å; V370-Q372 PolarHBondContact O-N 3.48Å; V370-Q373 WeakPolarHBondContact O-CB 3.41Å; V370-Q373 PolarHBondContact O-N 2.84Å; V370-D374 PolarHBondContact O-N 2.77Å |
| 371 | T | 84 | Confident | 86.5 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.6 | -28.3 | -178.8 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | L317 L367 V368 K375 V376 M381 F387 | L317-T371 HydrophobicContact CD1-CG2 3.94Å; L367-T371 WeakPolarHBondContact O-CB 3.27Å; L367-T371 WeakPolarHBondContact O-CG2 3.32Å; L367-T371 PolarHBondContact O-N 3.23Å; L367-T371 PolarHBondContact O-OG1 3.19Å; V368-T371 WeakPolarHBondContact CA-OG1 3.49Å; V368-T371 PolarHBondContact O-N 3.03Å; V368-T371 PolarHBondContact O-OG1 3.39Å; T371-K375 PolarHBondContact O-N 3.22Å; T371-V376 HydrophobicContact CG2-CB 4.03Å; T371-V376 HydrophobicContact CG2-CG1 4.43Å; T371-V376 HydrophobicContact CG2-CG2 3.96Å; T371-V376 PolarHBondContact O-N 3.45Å; T371-M381 HydrophobicContact CG2-CE 4.44Å; T371-M381 HydrophobicContact CG2-CG 4.45Å; T371-M381 VanDerWaalsContact OG1-CE 3.26Å; T371-M381 WeakPolarHBondContact OG1-CE 3.31Å; T371-F387 HydrophobicContact CG2-CE2 4.08Å; T371-F387 HydrophobicContact CG2-CZ 3.57Å |
| 372 | Q | 82 | Confident | 86.6 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.2 | -40 | 170.6 | -72.7 | 170.8 | 12.6 | 0 | 0 | 112.5 | V368 Q369 V370 K375 | V368-Q372 VanDerWaalsContact O-CG 3.26Å; V368-Q372 WeakPolarHBondContact O-CG 3.45Å; V368-Q372 PolarHBondContact O-N 2.97Å; V368-Q372 VanDerWaalsContact O-N 3.11Å; Q369-Q372 PolarHBondContact O-N 3.37Å; V370-Q372 VanDerWaalsContact C-N 3.26Å; V370-Q372 PolarHBondContact O-N 3.48Å; Q372-K375 PolarHBondContact O-N 2.85Å |
| 373 | Q | 74.1 | Confident | 86.8 | Confident | 150 Ų | 150 | 69.6 Ų | 69.6 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.8 | -45.4 | 175 | -67.3 | 177.7 | 5.2 | 0 | 0 | 111.4 | Q369 V370 K375 | Q369-Q373 WeakPolarHBondContact O-CG 3.34Å; Q369-Q373 PolarHBondContact O-N 2.86Å; V370-Q373 WeakPolarHBondContact O-CB 3.41Å; V370-Q373 PolarHBondContact O-N 2.84Å; Q373-K375 PolarHBondContact O-N 2.93Å |
| 374 | D | 79.9 | Confident | 87.2 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.4 | 179.1 | -69.1 | -9.3 | 0 | 0 | 0 | 112.7 | R320 V370 V376 | R320-D374 IonicContact NE-OD2 3.24Å; R320-D374 PolarHBondContact NE-OD2 3.1Å; V370-D374 PolarHBondContact O-N 2.77Å; D374-V376 VanDerWaalsContact C-N 3.29Å; D374-V376 HydrophobicContact CB-CG2 4.04Å; D374-V376 PolarHBondContact O-N 3.49Å |
| 375 | K | 84.4 | Confident | 87.5 | Confident | 188 Ų | 188 | 61 Ų | 61 | 82% | 0.817 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.3 | 178.9 | -58.5 | 178.7 | -176.7 | 172.9 | 0 | 114.5 | T371 Q372 Q373 | T371-K375 PolarHBondContact O-N 3.22Å; Q372-K375 PolarHBondContact O-N 2.85Å; Q373-K375 PolarHBondContact O-N 2.93Å |
| 376 | V | 83.4 | Confident | 87.9 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | trans | -68.6 | 136.4 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | L317 T371 D374 L380 M381 | L317-V376 HydrophobicContact CD1-CG2 4.4Å; L317-V376 HydrophobicContact CD2-CG1 4.26Å; T371-V376 HydrophobicContact CG2-CB 4.03Å; T371-V376 HydrophobicContact CG2-CG1 4.43Å; T371-V376 HydrophobicContact CG2-CG2 3.96Å; T371-V376 PolarHBondContact O-N 3.45Å; D374-V376 VanDerWaalsContact C-N 3.29Å; D374-V376 HydrophobicContact CB-CG2 4.04Å; D374-V376 PolarHBondContact O-N 3.49Å; V376-L380 HydrophobicContact CG1-CB 3.95Å; V376-L380 HydrophobicContact CG1-CD1 4.21Å; V376-M381 HydrophobicContact CG1-CG 4.11Å | ||
| 377 | N | 88.8 | Confident | 88.3 | Confident | 104 Ų | 104 | 56.2 Ų | 56.2 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | trans | -72.1 | 139.5 | 177.9 | -173.3 | -20.4 | 0 | 0 | 0 | 111 | D379 L380 M381 | N377-D379 PolarHBondContact O-N 2.83Å; N377-D379 VanDerWaalsContact O-N 3.14Å; N377-D379 PolarHBondContact OD1-N 3.06Å; N377-D379 VanDerWaalsContact OD1-N 3.15Å; N377-L380 HydrophobicContact CB-CD1 4.49Å; N377-L380 WeakPolarHBondContact O-CB 3.45Å; N377-L380 PolarHBondContact O-N 3.07Å; N377-M381 PolarHBondContact O-N 3.16Å; N377-M381 VanDerWaalsContact O-N 3.14Å | ||
| 378 | A | 88.5 | Confident | 88.5 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -49.2 | -35.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M381 E382 F395 | A378-M381 WeakPolarHBondContact O-CB 3.47Å; A378-M381 PolarHBondContact O-N 3.48Å; A378-E382 PolarHBondContact O-N 3.12Å; A378-F395 HydrophobicContact CB-CE2 3.76Å; A378-F395 HydrophobicContact CB-CZ 4.13Å |
| 379 | D | 89.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 175.3 | 178.2 | 78.7 | 0 | 0 | 0 | 112.4 | N377 E382 R383 | N377-D379 PolarHBondContact O-N 2.83Å; N377-D379 VanDerWaalsContact O-N 3.14Å; N377-D379 PolarHBondContact OD1-N 3.06Å; N377-D379 VanDerWaalsContact OD1-N 3.15Å; D379-E382 PolarHBondContact O-N 3.48Å; D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 WeakPolarHBondContact O-CD 3.39Å; D379-R383 WeakPolarHBondContact O-CG 3.29Å; D379-R383 PolarHBondContact O-N 3.02Å; D379-R383 VanDerWaalsContact OD2-CD 3.27Å; D379-R383 WeakPolarHBondContact OD2-CD 3.38Å; D379-R383 IonicContact OD2-CZ 2.84Å; D379-R383 IonicContact OD2-NE 2.67Å; D379-R383 IonicContact OD2-NH1 3.15Å; D379-R383 PolarHBondContact OD2-NH1 3.12Å |
| 380 | L | 91.1 | Very high | 89.1 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -38.3 | 176.4 | -65.1 | 170.9 | 0 | 0 | 0 | 111.2 | Q313 L314 V376 N377 R383 S384 | Q313-L380 HydrophobicContact CB-CD1 3.93Å; Q313-L380 HydrophobicContact CB-CD2 3.9Å; L314-L380 HydrophobicContact CD2-CB 4.1Å; L314-L380 HydrophobicContact CD2-CD2 3.88Å; L314-L380 VanDerWaalsContact CD2-O 3.24Å; L314-L380 WeakPolarHBondContact CD2-O 3.32Å; L314-L380 HydrophobicContact CG-CD2 4Å; V376-L380 HydrophobicContact CG1-CB 3.95Å; V376-L380 HydrophobicContact CG1-CD1 4.21Å; N377-L380 HydrophobicContact CB-CD1 4.49Å; N377-L380 WeakPolarHBondContact O-CB 3.45Å; N377-L380 PolarHBondContact O-N 3.07Å; L380-R383 PolarHBondContact O-N 3.04Å; L380-S384 VanDerWaalsContact O-CB 3.26Å; L380-S384 WeakPolarHBondContact O-CB 2.95Å; L380-S384 PolarHBondContact O-N 2.96Å |
| 381 | M | 93.6 | Very high | 89.4 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.069 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 175 | -62.2 | 178.5 | 70.5 | 0 | 0 | 110.8 | V368 T371 V376 N377 A378 S384 F387 F395 | V368-M381 HydrophobicContact CG2-CE 4.31Å; T371-M381 HydrophobicContact CG2-CE 4.44Å; T371-M381 HydrophobicContact CG2-CG 4.45Å; T371-M381 VanDerWaalsContact OG1-CE 3.26Å; T371-M381 WeakPolarHBondContact OG1-CE 3.31Å; V376-M381 HydrophobicContact CG1-CG 4.11Å; N377-M381 PolarHBondContact O-N 3.16Å; N377-M381 VanDerWaalsContact O-N 3.14Å; A378-M381 WeakPolarHBondContact O-CB 3.47Å; A378-M381 PolarHBondContact O-N 3.48Å; M381-S384 PolarHBondContact O-N 2.6Å; M381-S384 PolarHBondContact O-OG 2.75Å; M381-F387 HydrophobicContact CB-CD2 3.75Å; M381-F387 HydrophobicContact CB-CE2 4.16Å; M381-F387 HydrophobicContact CB-CG 4.27Å; M381-F387 HydrophobicContact CE-CD1 3.82Å; M381-F387 HydrophobicContact CE-CD2 4.23Å; M381-F387 HydrophobicContact CE-CE1 3.74Å; M381-F387 HydrophobicContact CE-CE2 4.17Å; M381-F387 HydrophobicContact CE-CG 4.06Å; M381-F387 HydrophobicContact CE-CZ 3.93Å; M381-F387 HydrophobicContact CG-CD2 4.25Å; M381-F387 HydrophobicContact CG-CE2 4.16Å; M381-F387 WeakPolarHBondContact O-CD2 3.4Å; M381-F395 HydrophobicContact CB-CD1 4.32Å; M381-F395 HydrophobicContact CB-CE1 4.11Å; M381-F395 HydrophobicContact CB-CE2 4.47Å; M381-F395 HydrophobicContact CB-CZ 4.19Å; M381-F395 HydrophobicContact CE-CB 3.84Å; M381-F395 HydrophobicContact CE-CD2 4.01Å; M381-F395 HydrophobicContact CE-CG 3.88Å; M381-F395 HydrophobicContact SD-CD2 4.18Å; M381-F395 HydrophobicContact SD-CE2 4.45Å |
| 382 | E | 92.4 | Very high | 89.7 | Confident | 96 Ų | 96 | 79.2 Ų | 79.2 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 179.4 | -166.9 | 161.1 | 172.3 | 0 | 0 | 112.3 | A378 D379 S384 R389 F395 | A378-E382 PolarHBondContact O-N 3.12Å; D379-E382 PolarHBondContact O-N 3.48Å; E382-S384 PolarHBondContact O-N 2.75Å; E382-R389 IonicContact OE1-NH1 3.27Å; E382-R389 WeakPolarHBondContact OE2-CD 3.48Å; E382-R389 IonicContact OE2-CZ 3.38Å; E382-R389 IonicContact OE2-NE 3.53Å; E382-R389 IonicContact OE2-NH1 2.78Å; E382-R389 PolarHBondContact OE2-NH1 2.86Å; E382-F395 HydrophobicContact CB-CE1 4.01Å; E382-F395 HydrophobicContact CB-CZ 4.2Å |
| 383 | R | 93.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.2 | -22.7 | 179.8 | -71.4 | 163.2 | 59.2 | -151.1 | -5.3 | 114.5 | L314 D379 L380 G385 E442 | L314-R383 HydrophobicContact CD1-CB 4.09Å; L314-R383 HydrophobicContact CD2-CB 4.2Å; D379-R383 WeakPolarHBondContact O-CB 3.45Å; D379-R383 WeakPolarHBondContact O-CD 3.39Å; D379-R383 WeakPolarHBondContact O-CG 3.29Å; D379-R383 PolarHBondContact O-N 3.02Å; D379-R383 VanDerWaalsContact OD2-CD 3.27Å; D379-R383 WeakPolarHBondContact OD2-CD 3.38Å; D379-R383 IonicContact OD2-CZ 2.84Å; D379-R383 IonicContact OD2-NE 2.67Å; D379-R383 IonicContact OD2-NH1 3.15Å; D379-R383 PolarHBondContact OD2-NH1 3.12Å; L380-R383 PolarHBondContact O-N 3.04Å; R383-G385 VanDerWaalsContact C-N 3.3Å; R383-G385 PolarHBondContact O-N 3.38Å; R383-E442 IonicContact CZ-OE1 2.58Å; R383-E442 IonicContact CZ-OE2 2.69Å; R383-E442 VanDerWaalsContact CZ-OE2 3.26Å; R383-E442 IonicContact NE-OE2 3.56Å; R383-E442 PolarHBondContact NE-OE2 3.38Å; R383-E442 IonicContact NH2-OE1 3.61Å; R383-E442 PolarHBondContact NH2-OE1 3.1Å; R383-E442 IonicContact NH2-OE2 3.85Å; R383-E442 PolarHBondContact NH2-OE2 3.05Å |
| 384 | S | 95.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.4 | -27 | -179 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | H318 L380 M381 E382 L386 | H318-S384 PolarHBondContact CE1-O 3.34Å; H318-S384 VanDerWaalsContact CE1-O 3.26Å; H318-S384 PolarHBondContact NE2-O 3.43Å; L380-S384 VanDerWaalsContact O-CB 3.26Å; L380-S384 WeakPolarHBondContact O-CB 2.95Å; L380-S384 PolarHBondContact O-N 2.96Å; M381-S384 PolarHBondContact O-N 2.6Å; M381-S384 PolarHBondContact O-OG 2.75Å; E382-S384 PolarHBondContact O-N 2.75Å; S384-L386 PolarHBondContact O-N 3.22Å; S384-L386 WeakPolarHBondContact OG-CB 3.34Å; S384-L386 PolarHBondContact OG-N 3.38Å; S384-L386 VanDerWaalsContact OG-N 3.12Å |
| 385 | G | 95.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 69.6 | 2.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115 | R383 F387 R398 P439 | R383-G385 VanDerWaalsContact C-N 3.3Å; R383-G385 PolarHBondContact O-N 3.38Å; G385-F387 VanDerWaalsContact C-N 3.34Å; G385-R398 WeakPolarHBondContact O-CD 3.4Å; G385-P439 WeakPolarHBondContact O-CD 3.28Å |
| 386 | L | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -79.5 | -19.5 | 174.2 | -58.3 | 174.5 | 0 | 0 | 0 | 112.5 | L317 T321 S384 R398 F399 F417 | L317-L386 HydrophobicContact CD2-CD1 4.41Å; L317-L386 HydrophobicContact CG-CD1 4.05Å; T321-L386 HydrophobicContact CG2-CD1 4.27Å; T321-L386 HydrophobicContact CG2-CD2 4.41Å; T321-L386 WeakPolarHBondContact OG1-CD1 3.18Å; S384-L386 PolarHBondContact O-N 3.22Å; S384-L386 WeakPolarHBondContact OG-CB 3.34Å; S384-L386 PolarHBondContact OG-N 3.38Å; S384-L386 VanDerWaalsContact OG-N 3.12Å; L386-R398 WeakPolarHBondContact O-CB 3.49Å; L386-R398 PolarHBondContact O-N 2.82Å; L386-F399 HydrophobicContact CD2-CE2 4.23Å; L386-F417 HydrophobicContact CD2-CD2 3.64Å; L386-F417 HydrophobicContact CD2-CE2 3.72Å |
| 387 | F | 96.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.1 | -175.9 | -58.1 | -83.5 | 0 | 0 | 0 | 112 | L317 L367 V368 T371 M381 G385 F395 S396 | L317-F387 HydrophobicContact CD2-CE2 4.5Å; L367-F387 HydrophobicContact CB-CE1 3.55Å; L367-F387 HydrophobicContact CB-CZ 3.69Å; L367-F387 HydrophobicContact CD1-CZ 4.49Å; V368-F387 HydrophobicContact CG2-CD1 3.78Å; V368-F387 HydrophobicContact CG2-CE1 3.78Å; T371-F387 HydrophobicContact CG2-CE2 4.08Å; T371-F387 HydrophobicContact CG2-CZ 3.57Å; M381-F387 HydrophobicContact CB-CD2 3.75Å; M381-F387 HydrophobicContact CB-CE2 4.16Å; M381-F387 HydrophobicContact CB-CG 4.27Å; M381-F387 HydrophobicContact CE-CD1 3.82Å; M381-F387 HydrophobicContact CE-CD2 4.23Å; M381-F387 HydrophobicContact CE-CE1 3.74Å; M381-F387 HydrophobicContact CE-CE2 4.17Å; M381-F387 HydrophobicContact CE-CG 4.06Å; M381-F387 HydrophobicContact CE-CZ 3.93Å; M381-F387 HydrophobicContact CG-CD2 4.25Å; M381-F387 HydrophobicContact CG-CE2 4.16Å; M381-F387 WeakPolarHBondContact O-CD2 3.4Å; G385-F387 VanDerWaalsContact C-N 3.34Å; F387-F395 HydrophobicContact CB-CB 4.44Å; F387-F395 HydrophobicContact CB-CD1 3.81Å; F387-F395 HydrophobicContact CD1-CB 4.43Å; F387-S396 CarbonylContact C-O 3.5Å; F387-S396 WeakPolarHBondContact CA-O 3.43Å |
| 388 | I | 94.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 54 Ų | 54 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 118.7 | 168.5 | -59.9 | 173.5 | 0 | 0 | 0 | 107.1 | S396 R398 | I388-S396 PolarHBondContact N-O 3.01Å; I388-S396 PolarHBondContact O-N 3.45Å; I388-S396 PolarHBondContact O-OG 3.16Å; I388-R398 HydrophobicContact CD1-CB 4.36Å; I388-R398 HydrophobicContact CD1-CG 4.35Å; I388-R398 HydrophobicContact CG1-CB 4.11Å; I388-R398 HydrophobicContact CG1-CG 4.39Å |
| 389 | R | 93.5 | Very high | 93.2 | Very high | 139 Ų | 139 | 51.8 Ų | 51.8 | 53% | 0.525 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 129.1 | 170.7 | -169.9 | 170.5 | -179.4 | -178.8 | -2.5 | 109.3 | E382 F395 | E382-R389 IonicContact OE1-NH1 3.27Å; E382-R389 WeakPolarHBondContact OE2-CD 3.48Å; E382-R389 IonicContact OE2-CZ 3.38Å; E382-R389 IonicContact OE2-NE 3.53Å; E382-R389 IonicContact OE2-NH1 2.78Å; E382-R389 PolarHBondContact OE2-NH1 2.86Å; R389-F395 HydrophobicContact CB-CD1 4.17Å; R389-F395 HydrophobicContact CB-CE1 3.95Å; R389-F395 HydrophobicContact CG-CE1 4.24Å |
| 390 | R | 91.3 | Very high | 93.4 | Very high | 113 Ų | 113 | 49.5 Ų | 49.5 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | trans | -92.1 | 165.7 | 178.9 | -60.9 | -176.2 | -173.6 | 166.7 | -2.5 | 110.9 | D392 G393 S394 S396 | R390-D392 WeakPolarHBondContact CB-OD1 3.32Å; R390-D392 PolarHBondContact O-N 2.85Å; R390-G393 WeakPolarHBondContact O-CA 3.39Å; R390-G393 PolarHBondContact O-N 2.88Å; R390-S394 WeakPolarHBondContact CD-OG 3.27Å; R390-S394 PolarHBondContact N-O 3Å; R390-S396 PolarHBondContact NE-OG 2.82Å; R390-S396 VanDerWaalsContact NE-OG 3.14Å; R390-S396 VanDerWaalsContact NH2-CB 3.3Å | ||
| 391 | D | 88.3 | Confident | 93.6 | Very high | 183 Ų | 183 | 49.3 Ų | 49.3 | 98% | 0.979 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.7 | -179.4 | -57.3 | -36.7 | 0 | 0 | 0 | 113.5 | G393 | D391-G393 PolarHBondContact O-N 2.86Š|
| 392 | D | 89.9 | Confident | 93.8 | Very high | 121 Ų | 121 | 48.6 Ų | 48.6 | 65% | 0.647 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.8 | 174.1 | 65.7 | 6.8 | 0 | 0 | 0 | 113.7 | R390 S394 | R390-D392 WeakPolarHBondContact CB-OD1 3.32Å; R390-D392 PolarHBondContact O-N 2.85Å; D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 VanDerWaalsContact CG-OG 3.32Å; D392-S394 VanDerWaalsContact OD1-CB 3.24Å; D392-S394 WeakPolarHBondContact OD1-CB 3.42Å; D392-S394 PolarHBondContact OD1-N 2.82Å; D392-S394 PolarHBondContact OD1-OG 2.82Å; D392-S394 PolarHBondContact OD2-OG 3.43Å |
| 393 | G | 87 | Confident | 94.1 | Very high | 34 Ų | 34 | 44 Ų | 44 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 83.1 | -4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | R390 D391 | R390-G393 WeakPolarHBondContact O-CA 3.39Å; R390-G393 PolarHBondContact O-N 2.88Å; D391-G393 PolarHBondContact O-N 2.86Å |
| 394 | S | 92 | Very high | 94.3 | Very high | 41 Ų | 41 | 40.5 Ų | 40.5 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | trans | -74.9 | 156.9 | 174.5 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | R390 D392 | R390-S394 WeakPolarHBondContact CD-OG 3.27Å; R390-S394 PolarHBondContact N-O 3Å; D392-S394 VanDerWaalsContact C-N 3.31Å; D392-S394 VanDerWaalsContact CG-OG 3.32Å; D392-S394 VanDerWaalsContact OD1-CB 3.24Å; D392-S394 WeakPolarHBondContact OD1-CB 3.42Å; D392-S394 PolarHBondContact OD1-N 2.82Å; D392-S394 PolarHBondContact OD1-OG 2.82Å; D392-S394 PolarHBondContact OD2-OG 3.43Å | ||
| 395 | F | 93.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 40.5 Ų | 40.5 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 157 | 172.6 | -70.1 | -82.4 | 0 | 0 | 0 | 111 | V368 A378 M381 E382 F387 R389 | V368-F395 HydrophobicContact CG2-CB 3.96Å; A378-F395 HydrophobicContact CB-CE2 3.76Å; A378-F395 HydrophobicContact CB-CZ 4.13Å; M381-F395 HydrophobicContact CB-CD1 4.32Å; M381-F395 HydrophobicContact CB-CE1 4.11Å; M381-F395 HydrophobicContact CB-CE2 4.47Å; M381-F395 HydrophobicContact CB-CZ 4.19Å; M381-F395 HydrophobicContact CE-CB 3.84Å; M381-F395 HydrophobicContact CE-CD2 4.01Å; M381-F395 HydrophobicContact CE-CG 3.88Å; M381-F395 HydrophobicContact SD-CD2 4.18Å; M381-F395 HydrophobicContact SD-CE2 4.45Å; E382-F395 HydrophobicContact CB-CE1 4.01Å; E382-F395 HydrophobicContact CB-CZ 4.2Å; F387-F395 HydrophobicContact CB-CB 4.44Å; F387-F395 HydrophobicContact CB-CD1 3.81Å; F387-F395 HydrophobicContact CD1-CB 4.43Å; R389-F395 HydrophobicContact CB-CD1 4.17Å; R389-F395 HydrophobicContact CB-CE1 3.95Å; R389-F395 HydrophobicContact CG-CE1 4.24Å |
| 396 | S | 95 | Very high | 94.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.2 | 167.3 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | R364 F387 I388 R390 R398 | R364-S396 CarbonylContact O-C 3.33Å; R364-S396 VanDerWaalsContact O-CA 3.29Å; R364-S396 WeakPolarHBondContact O-CA 3.42Å; R364-S396 VanDerWaalsContact O-CB 3.25Å; R364-S396 WeakPolarHBondContact O-CB 3.4Å; F387-S396 CarbonylContact C-O 3.5Å; F387-S396 WeakPolarHBondContact CA-O 3.43Å; I388-S396 PolarHBondContact N-O 3.01Å; I388-S396 PolarHBondContact O-N 3.45Å; I388-S396 PolarHBondContact O-OG 3.16Å; R390-S396 PolarHBondContact NE-OG 2.82Å; R390-S396 VanDerWaalsContact NE-OG 3.14Å; R390-S396 VanDerWaalsContact NH2-CB 3.3Å; S396-R398 PolarHBondContact O-N 3.26Å |
| 397 | D | 94.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 133.5 | -177.7 | -60.4 | 11.2 | 0 | 0 | 0 | 110.3 | R364 F366 L367 V368 | R364-D397 PolarHBondContact O-N 3.37Å; F366-D397 PolarHBondContact N-OD2 2.73Å; F366-D397 VanDerWaalsContact N-OD2 3.08Å; L367-D397 PolarHBondContact N-OD1 2.93Å; L367-D397 PolarHBondContact N-OD2 3.35Å; V368-D397 PolarHBondContact N-OD1 2.89Å |
| 398 | R | 96.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.3 | -44.7 | 175.2 | 176.7 | -178.4 | 177 | 83.9 | -5 | 111.1 | G385 L386 I388 S396 Y400 N437 | G385-R398 WeakPolarHBondContact O-CD 3.4Å; L386-R398 WeakPolarHBondContact O-CB 3.49Å; L386-R398 PolarHBondContact O-N 2.82Å; I388-R398 HydrophobicContact CD1-CB 4.36Å; I388-R398 HydrophobicContact CD1-CG 4.35Å; I388-R398 HydrophobicContact CG1-CB 4.11Å; I388-R398 HydrophobicContact CG1-CG 4.39Å; S396-R398 PolarHBondContact O-N 3.26Å; R398-Y400 WeakPolarHBondContact O-CD1 3.18Å; R398-Y400 WeakPolarHBondContact O-CE1 3.17Å; R398-N437 PolarHBondContact NE-O 2.88Å; R398-N437 PolarHBondContact NH2-O 3.41Å |
| 399 | F | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -98.3 | 127.8 | -177.1 | -55.5 | -76.7 | 0 | 0 | 0 | 109.5 | A360 L386 M404 F417 L436 | A360-F399 HydrophobicContact CB-CB 3.95Å; L386-F399 HydrophobicContact CD2-CE2 4.23Å; F399-M404 HydrophobicContact CB-CE 3.57Å; F399-M404 HydrophobicContact CB-SD 3.89Å; F399-M404 HydrophobicContact CD1-CE 3.55Å; F399-M404 HydrophobicContact CD1-SD 4.17Å; F399-M404 HydrophobicContact CD2-CE 3.57Å; F399-M404 HydrophobicContact CE1-CE 4.04Å; F399-M404 HydrophobicContact CE2-CE 4.06Å; F399-M404 HydrophobicContact CG-CE 3.27Å; F399-M404 HydrophobicContact CG-SD 4.11Å; F399-M404 HydrophobicContact CZ-CE 4.26Å; F399-F417 HydrophobicContact CE2-CB 4.1Å; F399-F417 HydrophobicContact CE2-CD2 4.48Å; F399-F417 HydrophobicContact CZ-CB 4Å; F399-L436 HydrophobicContact CD1-CD2 4.14Å; F399-L436 HydrophobicContact CD1-CG 4.43Å; F399-L436 HydrophobicContact CE1-CD2 4.34Å; F399-L436 HydrophobicContact CE1-CG 4.18Å; F399-L436 WeakPolarHBondContact CE1-O 3.12Å | ||
| 400 | Y | 94.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 36 Ų | 36 | 13% | 0.129 | 19% | 0.185 | C | C | . | . | trans | -150.6 | 144.1 | 178.4 | 52.1 | -83.3 | 0 | 0 | 0 | 109.1 | P361 R364 R398 R402 F427 Q432 | P361-Y400 CarbonylContact O-C 3.34Å; P361-Y400 WeakPolarHBondContact O-CA 3.46Å; P361-Y400 WeakPolarHBondContact O-CB 3.48Å; R364-Y400 HydrophobicContact CG-CD1 4.01Å; R364-Y400 HydrophobicContact CG-CD2 4.29Å; R364-Y400 HydrophobicContact CG-CG 3.8Å; R398-Y400 WeakPolarHBondContact O-CD1 3.18Å; R398-Y400 WeakPolarHBondContact O-CE1 3.17Å; Y400-R402 WeakPolarHBondContact O-CG 3.37Å; Y400-R402 PolarHBondContact O-N 3.36Å; Y400-F427 HydrophobicContact CD2-CE2 4.48Å; Y400-F427 AromaticContact CD2-CZ 3.98Å; Y400-F427 HydrophobicContact CD2-CZ 3.98Å; Y400-F427 AromaticContact CE2-CZ 3.91Å; Y400-F427 HydrophobicContact CE2-CZ 3.91Å; Y400-Q432 PolarHBondContact OH-NE2 2.77Å; Y400-Q432 VanDerWaalsContact OH-NE2 3.14Å; Y400-Q432 PolarHBondContact OH-OE1 3.19Å | ||
| 401 | Q | 95.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 48.6 | 50.4 | -176.3 | -163.1 | 61.1 | 25.4 | 0 | 0 | 113.5 | A360 P361 L422 F427 | A360-Q401 VanDerWaalsContact O-CA 3.28Å; A360-Q401 WeakPolarHBondContact O-CA 3.47Å; A360-Q401 PolarHBondContact O-N 3.31Å; P361-Q401 PolarHBondContact O-N 2.85Å; Q401-L422 VanDerWaalsContact CG-O 3.32Å; Q401-L422 WeakPolarHBondContact CG-O 3.32Å; Q401-L422 PolarHBondContact O-N 2.92Å; Q401-L422 VanDerWaalsContact O-N 3.08Å; Q401-F427 HydrophobicContact CB-CD1 3.84Å; Q401-F427 HydrophobicContact CB-CD2 4.49Å; Q401-F427 HydrophobicContact CB-CE1 3.9Å; Q401-F427 HydrophobicContact CB-CG 4.15Å; Q401-F427 HydrophobicContact CB-CZ 4.27Å; Q401-F427 HydrophobicContact CG-CB 3.99Å; Q401-F427 HydrophobicContact CG-CD1 3.52Å; Q401-F427 HydrophobicContact CG-CD2 4.46Å; Q401-F427 HydrophobicContact CG-CE1 4.1Å; Q401-F427 HydrophobicContact CG-CG 3.73Å |
| 402 | R | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 137.5 | -173.3 | -77.2 | 168.3 | -170.7 | -78 | -5.8 | 112.4 | F359 A360 Y400 M404 G419 R420 P433 | F359-R402 VanDerWaalsContact CD2-O 3.28Å; F359-R402 WeakPolarHBondContact CD2-O 3.31Å; A360-R402 PolarHBondContact N-O 3.49Å; A360-R402 PolarHBondContact O-N 3.42Å; Y400-R402 WeakPolarHBondContact O-CG 3.37Å; Y400-R402 PolarHBondContact O-N 3.36Å; R402-M404 HydrophobicContact CB-SD 3.79Å; R402-M404 WeakPolarHBondContact O-CG 3.38Å; R402-G419 PolarHBondContact NH1-O 2.61Å; R402-R420 CarbonylContact C-O 3.51Å; R402-R420 WeakPolarHBondContact CA-O 3.48Å; R402-R420 WeakPolarHBondContact CB-O 3.34Å; R402-P433 PolarHBondContact NH1-O 2.88Å; R402-P433 PolarHBondContact NH2-O 3.22Å; R402-P433 VanDerWaalsContact NH2-O 3.11Å |
| 403 | V | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 128.9 | 161.2 | 178.5 | 0 | 0 | 0 | 0 | 108 | A338 Y341 L342 I357 G358 F405 G419 R420 | A338-V403 HydrophobicContact CB-CG2 4.44Å; Y341-V403 HydrophobicContact CD1-CG2 4.17Å; Y341-V403 HydrophobicContact CE1-CG2 4.43Å; L342-V403 HydrophobicContact CD1-CG1 3.93Å; L342-V403 HydrophobicContact CD1-CG2 4.48Å; L342-V403 HydrophobicContact CD2-CG1 3.96Å; L342-V403 HydrophobicContact CG-CG1 4.36Å; L342-V403 HydrophobicContact CG-CG2 4.5Å; I357-V403 HydrophobicContact CG2-CG1 3.5Å; I357-V403 VanDerWaalsContact CG2-CG1 3.5Å; G358-V403 CarbonylContact O-C 3.54Å; G358-V403 WeakPolarHBondContact O-CA 3.31Å; V403-F405 HydrophobicContact CB-CE2 4.22Å; V403-F405 HydrophobicContact CG1-CD2 4.49Å; V403-F405 HydrophobicContact CG1-CE2 3.68Å; V403-F405 HydrophobicContact CG1-CZ 3.82Å; V403-G419 CarbonylContact O-C 3.6Å; V403-G419 WeakPolarHBondContact O-CA 3.13Å; V403-R420 HydrophobicContact CB-CB 4.41Å; V403-R420 PolarHBondContact N-O 2.73Å; V403-R420 PolarHBondContact O-N 2.83Å |
| 404 | M | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127 | -168.6 | -61.6 | -55.7 | -71.8 | 0 | 0 | 111 | Y325 I357 G358 A360 F399 R402 F417 G419 | Y325-M404 HydrophobicContact CD2-CB 4.07Å; Y325-M404 HydrophobicContact CD2-CE 4.29Å; Y325-M404 HydrophobicContact CD2-CG 3.79Å; Y325-M404 HydrophobicContact CE2-CE 3.8Å; Y325-M404 HydrophobicContact CE2-CG 4.02Å; Y325-M404 HydrophobicContact CG-CG 4.23Å; I357-M404 WeakPolarHBondContact CA-O 3.49Å; G358-M404 PolarHBondContact N-O 2.89Å; G358-M404 PolarHBondContact O-N 2.89Å; A360-M404 HydrophobicContact CB-CG 3.66Å; A360-M404 HydrophobicContact CB-SD 3.78Å; F399-M404 HydrophobicContact CB-CE 3.57Å; F399-M404 HydrophobicContact CB-SD 3.89Å; F399-M404 HydrophobicContact CD1-CE 3.55Å; F399-M404 HydrophobicContact CD1-SD 4.17Å; F399-M404 HydrophobicContact CD2-CE 3.57Å; F399-M404 HydrophobicContact CE1-CE 4.04Å; F399-M404 HydrophobicContact CE2-CE 4.06Å; F399-M404 HydrophobicContact CG-CE 3.27Å; F399-M404 HydrophobicContact CG-SD 4.11Å; F399-M404 HydrophobicContact CZ-CE 4.26Å; R402-M404 HydrophobicContact CB-SD 3.79Å; R402-M404 WeakPolarHBondContact O-CG 3.38Å; M404-F417 HydrophobicContact CE-CB 3.5Å; M404-F417 HydrophobicContact CE-CD1 4.34Å; M404-F417 HydrophobicContact CE-CG 3.97Å; M404-G419 VanDerWaalsContact SD-CA 3.58Å |
| 405 | F | 97 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.7 | 175.8 | -60.1 | -94.2 | 0 | 0 | 0 | 107.8 | I357 V403 F417 S418 R420 F472 M473 L476 | I357-F405 HydrophobicContact CD1-CD1 4.15Å; I357-F405 HydrophobicContact CD1-CE1 3.7Å; I357-F405 HydrophobicContact CG1-CD1 4Å; I357-F405 HydrophobicContact CG1-CE1 4Å; I357-F405 HydrophobicContact CG2-CD1 4.5Å; I357-F405 HydrophobicContact CG2-CE1 4.17Å; I357-F405 HydrophobicContact CG2-CZ 4.37Å; V403-F405 HydrophobicContact CB-CE2 4.22Å; V403-F405 HydrophobicContact CG1-CD2 4.49Å; V403-F405 HydrophobicContact CG1-CE2 3.68Å; V403-F405 HydrophobicContact CG1-CZ 3.82Å; F405-F417 CarbonylContact O-C 3.47Å; F405-F417 WeakPolarHBondContact O-CA 3.21Å; F405-S418 PolarHBondContact N-O 3.3Å; F405-S418 PolarHBondContact O-N 2.87Å; F405-R420 HydrophobicContact CE2-CB 3.98Å; F405-F472 AromaticContact CD1-CD2 3.87Å; F405-F472 HydrophobicContact CD1-CD2 3.87Å; F405-F472 AromaticContact CD1-CE2 3.84Å; F405-F472 HydrophobicContact CD1-CE2 3.84Å; F405-F472 HydrophobicContact CD2-CD2 4.27Å; F405-F472 AromaticContact CD2-CE2 3.48Å; F405-F472 HydrophobicContact CD2-CE2 3.48Å; F405-F472 VanDerWaalsContact CD2-CE2 3.48Å; F405-F472 AromaticContact CD2-CZ 3.71Å; F405-F472 HydrophobicContact CD2-CZ 3.71Å; F405-F472 HydrophobicContact CE1-CD2 4.02Å; F405-F472 AromaticContact CE1-CE2 3.81Å; F405-F472 HydrophobicContact CE1-CE2 3.81Å; F405-F472 HydrophobicContact CE2-CD2 4.43Å; F405-F472 AromaticContact CE2-CE2 3.47Å; F405-F472 HydrophobicContact CE2-CE2 3.47Å; F405-F472 VanDerWaalsContact CE2-CE2 3.47Å; F405-F472 AromaticContact CE2-CZ 3.94Å; F405-F472 HydrophobicContact CE2-CZ 3.94Å; F405-F472 HydrophobicContact CG-CD2 4.02Å; F405-F472 AromaticContact CG-CE2 3.69Å; F405-F472 HydrophobicContact CG-CE2 3.69Å; F405-F472 HydrophobicContact CG-CZ 4.16Å; F405-F472 HydrophobicContact CZ-CD2 4.31Å; F405-F472 AromaticContact CZ-CE2 3.65Å; F405-F472 HydrophobicContact CZ-CE2 3.65Å; F405-M473 HydrophobicContact CZ-SD 4.38Å; F405-L476 HydrophobicContact CD1-CD1 4.33Å; F405-L476 HydrophobicContact CE1-CD1 3.78Å |
| 406 | P | 97.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 21.2 Ų | 21.2 | 7% | 0.071 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 137.5 | 173.8 | -23.4 | 33.9 | 0 | 0 | 0 | 111.4 | F355 K356 P414 F417 | F355-P406 WeakPolarHBondContact O-CD 3.44Å; K356-P406 HydrophobicContact CB-CG 4.09Å; K356-P406 WeakPolarHBondContact O-CD 3.45Å; K356-P406 VanDerWaalsContact O-CG 3.31Å; K356-P406 WeakPolarHBondContact O-CG 3.44Å; P406-P414 HydrophobicContact CB-CB 4.43Å; P406-F417 HydrophobicContact CB-CD1 4.37Å; P406-F417 HydrophobicContact CB-CE1 4.16Å; P406-F417 HydrophobicContact CG-CD1 4.41Å; P406-F417 HydrophobicContact CG-CE1 4.11Å |
| 407 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106.6 | 171.3 | -56.8 | -178 | 0 | 0 | 0 | 107 | I415 G416 F444 F451 M490 | L407-I415 WeakPolarHBondContact O-CG1 3.33Å; L407-I415 PolarHBondContact O-N 3.41Å; L407-G416 PolarHBondContact N-O 3.42Å; L407-G416 PolarHBondContact O-N 3.38Å; L407-F444 HydrophobicContact CB-CD2 4.39Å; L407-F444 HydrophobicContact CB-CE2 4.09Å; L407-F444 HydrophobicContact CD1-CD2 4.26Å; L407-F444 HydrophobicContact CD1-CE2 3.41Å; L407-F444 VanDerWaalsContact CD1-CE2 3.41Å; L407-F444 HydrophobicContact CD1-CZ 3.6Å; L407-F444 HydrophobicContact CG-CE2 4.38Å; L407-F451 HydrophobicContact CD2-CD2 4Å; L407-M490 HydrophobicContact CD1-SD 3.97Å; L407-M490 HydrophobicContact CD2-SD 3.54Å; L407-M490 VanDerWaalsContact CD2-SD 3.54Å; L407-M490 HydrophobicContact CG-SD 4.38Å |
| 408 | N | 95 | Very high | 93.6 | Very high | 36 Ų | 36 | 21.2 Ų | 21.2 | 19% | 0.193 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 150.2 | -174 | -66.1 | -12.1 | 0 | 0 | 0 | 111.9 | K413 P414 D454 | N408-K413 CarbonylContact C-O 3.59Å; N408-K413 VanDerWaalsContact CA-O 3.29Å; N408-K413 WeakPolarHBondContact CA-O 3.29Å; N408-P414 WeakPolarHBondContact OD1-CA 3.34Å; N408-D454 HydrophobicContact CB-CB 4.38Å; N408-D454 PolarHBondContact ND2-OD2 3.39Å |
| 409 | D | 89.4 | Confident | 93.6 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 10% | 0.096 | 9% | 0.093 | C | C | . | . | trans | -75 | 178 | 161.4 | 72 | 9.6 | 0 | 0 | 0 | 111.2 | R411 G412 K413 I415 D454 | D409-R411 PolarHBondContact O-N 2.84Å; D409-R411 VanDerWaalsContact OD1-CA 3.3Å; D409-R411 WeakPolarHBondContact OD1-CA 3.36Å; D409-R411 VanDerWaalsContact OD1-CB 3.25Å; D409-R411 WeakPolarHBondContact OD1-CB 3.41Å; D409-R411 PolarHBondContact OD1-N 3.43Å; D409-R411 IonicContact OD1-NE 3.42Å; D409-R411 IonicContact OD2-CZ 3.32Å; D409-R411 IonicContact OD2-NE 3.77Å; D409-R411 PolarHBondContact OD2-NE 2.93Å; D409-R411 IonicContact OD2-NH2 3.45Å; D409-R411 PolarHBondContact OD2-NH2 3.48Å; D409-G412 PolarHBondContact O-N 3.43Å; D409-G412 PolarHBondContact OD1-N 2.84Å; D409-K413 PolarHBondContact N-O 3.12Å; D409-K413 PolarHBondContact OD1-N 3.13Å; D409-I415 HydrophobicContact CB-CD1 4Å; D409-I415 HydrophobicContact CB-CG1 4.37Å; D409-I415 HydrophobicContact CB-CG2 3.92Å; D409-D454 WeakPolarHBondContact O-CB 3.49Å | ||
| 410 | F | 81.3 | Confident | 93.5 | Very high | 64 Ų | 64 | 19.2 Ų | 19.2 | 28% | 0.281 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.8 | 178.8 | 73.5 | -82.5 | 0 | 0 | 0 | 114.6 | L275 E276 F453 R457 | L275-F410 HydrophobicContact CD1-CE2 4.39Å; L275-F410 HydrophobicContact CG-CE2 3.94Å; L275-F410 HydrophobicContact CG-CZ 4.48Å; L275-F410 WeakPolarHBondContact O-CZ 3.46Å; E276-F410 HydrophobicContact CG-CE2 4.16Å; F410-F453 HydrophobicContact CB-CD1 4.25Å; F410-F453 HydrophobicContact CB-CE1 4.19Å; F410-R457 PolarHBondContact O-NH1 2.68Å |
| 411 | R | 76.1 | Confident | 93.6 | Very high | 82 Ų | 82 | 18.3 Ų | 18.3 | 31% | 0.309 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -4.7 | 174.9 | -54.8 | 172.8 | -70.9 | -166.1 | -2 | 111.9 | E276 D409 K413 | E276-R411 HydrophobicContact CB-CG 4.4Å; E276-R411 HydrophobicContact CG-CG 4.43Å; E276-R411 PolarHBondContact O-NH1 3.34Å; D409-R411 PolarHBondContact O-N 2.84Å; D409-R411 VanDerWaalsContact OD1-CA 3.3Å; D409-R411 WeakPolarHBondContact OD1-CA 3.36Å; D409-R411 VanDerWaalsContact OD1-CB 3.25Å; D409-R411 WeakPolarHBondContact OD1-CB 3.41Å; D409-R411 PolarHBondContact OD1-N 3.43Å; D409-R411 IonicContact OD1-NE 3.42Å; D409-R411 IonicContact OD2-CZ 3.32Å; D409-R411 IonicContact OD2-NE 3.77Å; D409-R411 PolarHBondContact OD2-NE 2.93Å; D409-R411 IonicContact OD2-NH2 3.45Å; D409-R411 PolarHBondContact OD2-NH2 3.48Å; R411-K413 HydrophobicContact CB-CG 4.21Å |
| 412 | G | 88.3 | Confident | 93.6 | Very high | 31 Ų | 31 | 18 Ų | 18 | 32% | 0.32 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 80.6 | 15.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D409 | D409-G412 PolarHBondContact O-N 3.43Å; D409-G412 PolarHBondContact OD1-N 2.84Å |
| 413 | K | 90.6 | Very high | 93.3 | Very high | 76 Ų | 76 | 24.3 Ų | 24.3 | 33% | 0.33 | 12% | 0.119 | S | C | . | . | trans | -92.4 | 130.2 | 178.7 | -65.2 | -70.4 | 179.8 | 171.4 | 0 | 110 | I315 E319 N408 D409 R411 I415 | I315-K413 HydrophobicContact CG2-CB 4.02Å; I315-K413 HydrophobicContact CG2-CD 4.27Å; I315-K413 HydrophobicContact CG2-CG 4.37Å; E319-K413 HydrophobicContact CG-CD 4.48Å; E319-K413 WeakPolarHBondContact OE1-CD 3.5Å; E319-K413 WeakPolarHBondContact OE1-CE 3.09Å; E319-K413 IonicContact OE1-NZ 2.94Å; E319-K413 PolarHBondContact OE1-NZ 3.34Å; E319-K413 IonicContact OE2-NZ 2.97Å; E319-K413 PolarHBondContact OE2-NZ 3.01Å; N408-K413 CarbonylContact C-O 3.59Å; N408-K413 VanDerWaalsContact CA-O 3.29Å; N408-K413 WeakPolarHBondContact CA-O 3.29Å; D409-K413 PolarHBondContact N-O 3.12Å; D409-K413 PolarHBondContact OD1-N 3.13Å; R411-K413 HydrophobicContact CB-CG 4.21Å; K413-I415 PolarHBondContact O-N 3.16Å | ||
| 414 | P | 95.2 | Very high | 92.8 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 9% | 0.091 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.2 | 178 | 27.6 | -34.1 | 0 | 0 | 0 | 110.2 | H318 E319 P406 N408 | H318-P414 HydrophobicContact CB-CB 4.23Å; H318-P414 HydrophobicContact CB-CG 4.18Å; H318-P414 WeakPolarHBondContact CB-O 3.39Å; E319-P414 HydrophobicContact CB-CG 4.3Å; E319-P414 HydrophobicContact CG-CG 3.66Å; P406-P414 HydrophobicContact CB-CB 4.43Å; N408-P414 WeakPolarHBondContact OD1-CA 3.34Å |
| 415 | I | 95.2 | Very high | 92.2 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -11.1 | 178.2 | 50.3 | 167.3 | 0 | 0 | 0 | 112.3 | H318 L407 D409 K413 L443 F444 V449 | H318-I415 PolarHBondContact NE2-O 3.06Å; L407-I415 WeakPolarHBondContact O-CG1 3.33Å; L407-I415 PolarHBondContact O-N 3.41Å; D409-I415 HydrophobicContact CB-CD1 4Å; D409-I415 HydrophobicContact CB-CG1 4.37Å; D409-I415 HydrophobicContact CB-CG2 3.92Å; K413-I415 PolarHBondContact O-N 3.16Å; I415-L443 HydrophobicContact CB-CB 3.88Å; I415-L443 WeakPolarHBondContact CD1-O 3.38Å; I415-L443 HydrophobicContact CG2-CB 4.02Å; I415-F444 HydrophobicContact CD1-CD2 4.3Å; I415-F444 HydrophobicContact CG1-CD2 4.39Å; I415-F444 WeakPolarHBondContact O-CB 3.38Å; I415-V449 HydrophobicContact CD1-CG2 3.63Å |
| 416 | G | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.3 | -171.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L407 S438 | L407-G416 PolarHBondContact N-O 3.42Å; L407-G416 PolarHBondContact O-N 3.38Å; G416-S438 WeakPolarHBondContact CA-OG 3.21Å |
| 417 | F | 97.3 | Very high | 91 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153 | 179.5 | -64 | -87.8 | 0 | 0 | 0 | 112 | H318 T321 L386 F399 M404 F405 P406 N437 S438 | H318-F417 AromaticContact CD2-CE2 3.83Å; T321-F417 HydrophobicContact CG2-CE2 3.88Å; T321-F417 HydrophobicContact CG2-CZ 4.02Å; L386-F417 HydrophobicContact CD2-CD2 3.64Å; L386-F417 HydrophobicContact CD2-CE2 3.72Å; F399-F417 HydrophobicContact CE2-CB 4.1Å; F399-F417 HydrophobicContact CE2-CD2 4.48Å; F399-F417 HydrophobicContact CZ-CB 4Å; M404-F417 HydrophobicContact CE-CB 3.5Å; M404-F417 HydrophobicContact CE-CD1 4.34Å; M404-F417 HydrophobicContact CE-CG 3.97Å; F405-F417 CarbonylContact O-C 3.47Å; F405-F417 WeakPolarHBondContact O-CA 3.21Å; P406-F417 HydrophobicContact CB-CD1 4.37Å; P406-F417 HydrophobicContact CB-CE1 4.16Å; P406-F417 HydrophobicContact CG-CD1 4.41Å; P406-F417 HydrophobicContact CG-CE1 4.11Å; F417-N437 CarbonylContact O-C 3.45Å; F417-N437 WeakPolarHBondContact O-CA 3.34Å; F417-S438 PolarHBondContact N-OG 3.48Å; F417-S438 PolarHBondContact O-N 2.79Å |
| 418 | S | 95.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.9 | 161.5 | -158.8 | 0 | 0 | 0 | 0 | 109.6 | F405 N437 F472 | F405-S418 PolarHBondContact N-O 3.3Å; F405-S418 PolarHBondContact O-N 2.87Å; S418-N437 WeakPolarHBondContact CB-OD1 3.23Å; S418-N437 PolarHBondContact OG-OD1 2.72Å; S418-F472 WeakPolarHBondContact OG-CE1 3.4Å |
| 419 | G | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 109.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R402 V403 M404 L436 | R402-G419 PolarHBondContact NH1-O 2.61Å; V403-G419 CarbonylContact O-C 3.6Å; V403-G419 WeakPolarHBondContact O-CA 3.13Å; M404-G419 VanDerWaalsContact SD-CA 3.58Å; G419-L436 PolarHBondContact N-O 2.96Å; G419-L436 PolarHBondContact O-N 3.04Å |
| 420 | R | 94.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.6 | 172.9 | -175.8 | 178.6 | -168.3 | 155.7 | 5.8 | 110.5 | Y341 R345 R402 V403 F405 L422 K434 Y435 M473 | Y341-R420 PolarHBondContact OH-NE 3.49Å; Y341-R420 PolarHBondContact OH-NH2 3.48Å; R345-R420 VanDerWaalsContact NH1-NH2 3.11Å; R402-R420 CarbonylContact C-O 3.51Å; R402-R420 WeakPolarHBondContact CA-O 3.48Å; R402-R420 WeakPolarHBondContact CB-O 3.34Å; V403-R420 HydrophobicContact CB-CB 4.41Å; V403-R420 PolarHBondContact N-O 2.73Å; V403-R420 PolarHBondContact O-N 2.83Å; F405-R420 HydrophobicContact CE2-CB 3.98Å; R420-L422 PolarHBondContact O-N 3.31Å; R420-K434 WeakPolarHBondContact CA-O 3.24Å; R420-Y435 HydrophobicContact CB-CD1 3.71Å; R420-Y435 HydrophobicContact CB-CE1 3.63Å; R420-Y435 HydrophobicContact CG-CD1 3.86Å; R420-Y435 HydrophobicContact CG-CE1 3.43Å; R420-Y435 VanDerWaalsContact CG-CE1 3.43Å; R420-Y435 PolarHBondContact NH1-OH 3.33Å; R420-M473 PolarHBondContact NH1-SD 3.07Å |
| 421 | L | 95.9 | Very high | 89.8 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 122.7 | 179.5 | 179 | 66.4 | 0 | 0 | 0 | 111.5 | K423 F427 Q432 K434 | L421-K423 HydrophobicContact CD2-CG 4.06Å; L421-K423 HydrophobicContact CG-CG 4.14Å; L421-F427 HydrophobicContact CD1-CD1 4.33Å; L421-F427 HydrophobicContact CD1-CE1 3.91Å; L421-Q432 HydrophobicContact CD1-CB 4.02Å; L421-Q432 HydrophobicContact CD2-CB 3.77Å; L421-K434 PolarHBondContact N-O 3.07Å |
| 422 | L | 94.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -96 | 104.2 | 170.8 | -178.7 | 65.6 | 0 | 0 | 0 | 108.9 | A338 Y341 F359 Q401 R420 T424 | A338-L422 HydrophobicContact CB-CD2 3.61Å; Y341-L422 HydrophobicContact CD1-CD1 3.83Å; Y341-L422 HydrophobicContact CD2-CD1 3.97Å; Y341-L422 HydrophobicContact CE1-CD1 4.43Å; Y341-L422 HydrophobicContact CG-CD1 3.56Å; F359-L422 HydrophobicContact CD2-CD2 4.43Å; F359-L422 HydrophobicContact CE2-CB 4.38Å; F359-L422 HydrophobicContact CE2-CD2 3.66Å; F359-L422 HydrophobicContact CZ-CD2 4.12Å; Q401-L422 VanDerWaalsContact CG-O 3.32Å; Q401-L422 WeakPolarHBondContact CG-O 3.32Å; Q401-L422 PolarHBondContact O-N 2.92Å; Q401-L422 VanDerWaalsContact O-N 3.08Å; R420-L422 PolarHBondContact O-N 3.31Å; L422-T424 HydrophobicContact CD2-CG2 4.48Å; L422-T424 HydrophobicContact CG-CG2 4.18Å | ||
| 423 | K | 92.6 | Very high | 90.7 | Very high | 131 Ų | 131 | 57.6 Ų | 57.6 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | trans | -80.1 | 127.1 | 177.7 | -65.6 | -170 | 170.8 | -135.1 | 0 | 110.1 | L421 F427 P428 | L421-K423 HydrophobicContact CD2-CG 4.06Å; L421-K423 HydrophobicContact CG-CG 4.14Å; K423-F427 WeakPolarHBondContact CA-O 3.48Å; K423-P428 VanDerWaalsContact CD-O 3.31Å; K423-P428 WeakPolarHBondContact CD-O 3.5Å; K423-P428 VanDerWaalsContact CE-O 3.29Å; K423-P428 WeakPolarHBondContact CE-O 3.44Å; K423-P428 PolarHBondContact NZ-O 3.36Å | ||
| 424 | T | 87.5 | Confident | 90.7 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | trans | -125.9 | 173.8 | 177.1 | 75.7 | 0 | 0 | 0 | 0 | 109.4 | E337 L422 D426 F427 | E337-T424 VanDerWaalsContact CD-CG2 3.42Å; E337-T424 HydrophobicContact CG-CG2 4.49Å; E337-T424 WeakPolarHBondContact OE1-CB 3.37Å; E337-T424 VanDerWaalsContact OE1-CG2 3.28Å; E337-T424 WeakPolarHBondContact OE1-CG2 3.34Å; E337-T424 VanDerWaalsContact OE2-CG2 3.27Å; E337-T424 WeakPolarHBondContact OE2-CG2 3.22Å; L422-T424 HydrophobicContact CD2-CG2 4.48Å; L422-T424 HydrophobicContact CG-CG2 4.18Å; T424-D426 VanDerWaalsContact C-N 3.29Å; T424-D426 PolarHBondContact O-N 2.68Å; T424-F427 PolarHBondContact N-O 2.97Å; T424-F427 CarbonylContact O-C 3.46Å; T424-F427 PolarHBondContact O-N 3.33Å; T424-F427 WeakPolarHBondContact OG1-CB 3.47Å; T424-F427 PolarHBondContact OG1-N 3.32Å; T424-F427 VanDerWaalsContact OG1-N 3.08Å | ||
| 425 | K | 84.6 | Confident | 90.6 | Very high | 204 Ų | 204 | 63.5 Ų | 63.5 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -62.2 | -38.3 | 177 | -70.6 | 174.6 | -177.7 | 164.7 | 0 | 112.4 | ||
| 426 | D | 83.3 | Confident | 90.5 | Very high | 159 Ų | 159 | 64.8 Ų | 64.8 | 85% | 0.85 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -85.6 | -13.4 | 179.5 | -57.5 | -42 | 0 | 0 | 0 | 112.4 | T424 | T424-D426 VanDerWaalsContact C-N 3.29Å; T424-D426 PolarHBondContact O-N 2.68Å |
| 427 | F | 85.9 | Confident | 90.4 | Very high | 52 Ų | 52 | 66.4 Ų | 66.4 | 23% | 0.228 | 33% | 0.326 | C | S | . | . | trans | -135.7 | 79.6 | 178 | -157.6 | -88.6 | 0 | 0 | 0 | 111.8 | Y400 Q401 L421 K423 T424 G429 | Y400-F427 HydrophobicContact CD2-CE2 4.48Å; Y400-F427 AromaticContact CD2-CZ 3.98Å; Y400-F427 HydrophobicContact CD2-CZ 3.98Å; Y400-F427 AromaticContact CE2-CZ 3.91Å; Y400-F427 HydrophobicContact CE2-CZ 3.91Å; Q401-F427 HydrophobicContact CB-CD1 3.84Å; Q401-F427 HydrophobicContact CB-CD2 4.49Å; Q401-F427 HydrophobicContact CB-CE1 3.9Å; Q401-F427 HydrophobicContact CB-CG 4.15Å; Q401-F427 HydrophobicContact CB-CZ 4.27Å; Q401-F427 HydrophobicContact CG-CB 3.99Å; Q401-F427 HydrophobicContact CG-CD1 3.52Å; Q401-F427 HydrophobicContact CG-CD2 4.46Å; Q401-F427 HydrophobicContact CG-CE1 4.1Å; Q401-F427 HydrophobicContact CG-CG 3.73Å; L421-F427 HydrophobicContact CD1-CD1 4.33Å; L421-F427 HydrophobicContact CD1-CE1 3.91Å; K423-F427 WeakPolarHBondContact CA-O 3.48Å; T424-F427 PolarHBondContact N-O 2.97Å; T424-F427 CarbonylContact O-C 3.46Å; T424-F427 PolarHBondContact O-N 3.33Å; T424-F427 WeakPolarHBondContact OG1-CB 3.47Å; T424-F427 PolarHBondContact OG1-N 3.32Å; T424-F427 VanDerWaalsContact OG1-N 3.08Å; F427-G429 PolarHBondContact O-N 2.81Å | ||
| 428 | P | 84.5 | Confident | 90.3 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 42% | 0.416 | 33% | 0.329 | S | S | . | . | trans | -67.7 | -16.9 | -179.5 | 27.2 | -35.5 | 0 | 0 | 0 | 113.5 | K423 E430 | K423-P428 VanDerWaalsContact CD-O 3.31Å; K423-P428 WeakPolarHBondContact CD-O 3.5Å; K423-P428 VanDerWaalsContact CE-O 3.29Å; K423-P428 WeakPolarHBondContact CE-O 3.44Å; K423-P428 PolarHBondContact NZ-O 3.36Å; P428-E430 HydrophobicContact CB-CG 4.41Å; P428-E430 HydrophobicContact CG-CG 4.44Å; P428-E430 PolarHBondContact O-N 2.92Å | ||
| 429 | G | 83.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | trans | 62.6 | 40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F427 Q432 | F427-G429 PolarHBondContact O-N 2.81Å; G429-Q432 PolarHBondContact O-N 3.49Å | ||
| 430 | E | 82.1 | Confident | 90.1 | Very high | 154 Ų | 154 | 73.8 Ų | 73.8 | 72% | 0.72 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 141.8 | 167.6 | -64.4 | 176.2 | -172.5 | 0 | 0 | 109.1 | P428 Q432 | P428-E430 HydrophobicContact CB-CG 4.41Å; P428-E430 HydrophobicContact CG-CG 4.44Å; P428-E430 PolarHBondContact O-N 2.92Å; E430-Q432 PolarHBondContact O-N 3.43Å |
| 431 | D | 85.6 | Confident | 90 | Very high | 169 Ų | 169 | 74.8 Ų | 74.8 | 90% | 0.904 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 5.9 | -171.8 | -56.1 | -32.3 | 0 | 0 | 0 | 117.4 | ||
| 432 | Q | 90.7 | Very high | 89.6 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | trans | -91.7 | 133.1 | 176.8 | -71.4 | -62.2 | -49.6 | 0 | 0 | 112.3 | Y400 L421 G429 E430 | Y400-Q432 PolarHBondContact OH-NE2 2.77Å; Y400-Q432 VanDerWaalsContact OH-NE2 3.14Å; Y400-Q432 PolarHBondContact OH-OE1 3.19Å; L421-Q432 HydrophobicContact CD1-CB 4.02Å; L421-Q432 HydrophobicContact CD2-CB 3.77Å; G429-Q432 PolarHBondContact O-N 3.49Å; E430-Q432 PolarHBondContact O-N 3.43Å | ||
| 433 | P | 92.4 | Very high | 89.4 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | trans | -69.6 | 140.4 | 178.4 | 29.2 | -35.8 | 0 | 0 | 0 | 111.3 | R402 Y435 L436 | R402-P433 PolarHBondContact NH1-O 2.88Å; R402-P433 PolarHBondContact NH2-O 3.22Å; R402-P433 VanDerWaalsContact NH2-O 3.11Å; P433-Y435 PolarHBondContact O-N 3.2Å; P433-L436 HydrophobicContact CG-CB 4.33Å; P433-L436 HydrophobicContact CG-CD1 4.41Å | ||
| 434 | K | 91.2 | Very high | 89.4 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -49.3 | -42.1 | 177.7 | -177.4 | -176.3 | 176.6 | -173.9 | 0 | 111.8 | R420 L421 | R420-K434 WeakPolarHBondContact CA-O 3.24Å; L421-K434 PolarHBondContact N-O 3.07Å |
| 435 | Y | 92 | Very high | 89.5 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 140.1 | 173.6 | -62.6 | -70.2 | 0 | 0 | 0 | 110 | R420 P433 F472 | R420-Y435 HydrophobicContact CB-CD1 3.71Å; R420-Y435 HydrophobicContact CB-CE1 3.63Å; R420-Y435 HydrophobicContact CG-CD1 3.86Å; R420-Y435 HydrophobicContact CG-CE1 3.43Å; R420-Y435 VanDerWaalsContact CG-CE1 3.43Å; R420-Y435 PolarHBondContact NH1-OH 3.33Å; P433-Y435 PolarHBondContact O-N 3.2Å; Y435-F472 HydrophobicContact CD1-CE1 4.02Å; Y435-F472 AromaticContact CD1-CZ 3.55Å; Y435-F472 HydrophobicContact CD1-CZ 3.55Å; Y435-F472 HydrophobicContact CE1-CE1 4.1Å; Y435-F472 HydrophobicContact CE1-CE2 4.02Å; Y435-F472 AromaticContact CE1-CZ 3.34Å; Y435-F472 HydrophobicContact CE1-CZ 3.34Å |
| 436 | L | 93.8 | Very high | 89.8 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.8 | 177.5 | 176.9 | 64.2 | 0 | 0 | 0 | 109.1 | F399 G419 P433 | F399-L436 HydrophobicContact CD1-CD2 4.14Å; F399-L436 HydrophobicContact CD1-CG 4.43Å; F399-L436 HydrophobicContact CE1-CD2 4.34Å; F399-L436 HydrophobicContact CE1-CG 4.18Å; F399-L436 WeakPolarHBondContact CE1-O 3.12Å; G419-L436 PolarHBondContact N-O 2.96Å; G419-L436 PolarHBondContact O-N 3.04Å; P433-L436 HydrophobicContact CG-CB 4.33Å; P433-L436 HydrophobicContact CG-CD1 4.41Å |
| 437 | N | 93.7 | Very high | 90.1 | Very high | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 162.7 | 174 | -59.7 | -56.7 | 0 | 0 | 0 | 111.3 | R398 F417 S418 | R398-N437 PolarHBondContact NE-O 2.88Å; R398-N437 PolarHBondContact NH2-O 3.41Å; F417-N437 CarbonylContact O-C 3.45Å; F417-N437 WeakPolarHBondContact O-CA 3.34Å; S418-N437 WeakPolarHBondContact CB-OD1 3.23Å; S418-N437 PolarHBondContact OG-OD1 2.72Å |
| 438 | S | 95.3 | Very high | 90.2 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 148.6 | 159.1 | -77.1 | 0 | 0 | 0 | 0 | 110.9 | G416 F417 | G416-S438 WeakPolarHBondContact CA-OG 3.21Å; F417-S438 PolarHBondContact N-OG 3.48Å; F417-S438 PolarHBondContact O-N 2.79Å |
| 439 | P | 94 | Very high | 90.6 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 167.1 | 168.7 | 35.3 | -33 | 0 | 0 | 0 | 109.3 | G385 T441 F444 | G385-P439 WeakPolarHBondContact O-CD 3.28Å; P439-T441 HydrophobicContact CG-CG2 4.15Å; P439-T441 PolarHBondContact O-N 3.18Å; P439-F444 WeakPolarHBondContact O-CD1 3.47Å |
| 440 | E | 93.7 | Very high | 91.1 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 129.2 | 168.3 | -59.9 | -72.7 | 124.6 | 0 | 0 | 109.5 | F444 N445 K446 | E440-F444 CarbonylContact C-O 3.52Å; E440-F444 WeakPolarHBondContact CA-O 3.39Å; E440-N445 WeakPolarHBondContact OE2-CA 3.48Å; E440-N445 PolarHBondContact OE2-ND2 3.17Å; E440-N445 PolarHBondContact OE2-OD1 2.9Å; E440-K446 WeakPolarHBondContact OE1-CB 3.5Å; E440-K446 PolarHBondContact OE1-N 2.86Å |
| 441 | T | 93.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 59.6 Ų | 59.6 | 20% | 0.202 | 29% | 0.289 | C | S | . | . | trans | -136.2 | 179.2 | 178.3 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | P439 L443 F444 | P439-T441 HydrophobicContact CG-CG2 4.15Å; P439-T441 PolarHBondContact O-N 3.18Å; T441-L443 PolarHBondContact O-N 2.88Å; T441-L443 PolarHBondContact OG1-N 3.33Å; T441-F444 PolarHBondContact N-O 3.5Å; T441-F444 PolarHBondContact OG1-N 3.1Å | ||
| 442 | E | 87 | Confident | 92.3 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -67 | -13.9 | 170.8 | 65.8 | -176.9 | -105.2 | 0 | 0 | 114 | L314 R383 | L314-E442 HydrophobicContact CD1-CG 3.63Å; L314-E442 VanDerWaalsContact CD1-OE1 3.29Å; L314-E442 WeakPolarHBondContact CD1-OE1 3.01Å; R383-E442 IonicContact CZ-OE1 2.58Å; R383-E442 IonicContact CZ-OE2 2.69Å; R383-E442 VanDerWaalsContact CZ-OE2 3.26Å; R383-E442 IonicContact NE-OE2 3.56Å; R383-E442 PolarHBondContact NE-OE2 3.38Å; R383-E442 IonicContact NH2-OE1 3.61Å; R383-E442 PolarHBondContact NH2-OE1 3.1Å; R383-E442 IonicContact NH2-OE2 3.85Å; R383-E442 PolarHBondContact NH2-OE2 3.05Å |
| 443 | L | 89.8 | Confident | 92.5 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -100.2 | -40.6 | 173.5 | -64.1 | -169.4 | 0 | 0 | 0 | 112.6 | Q311 L314 I315 I415 T441 | Q311-L443 HydrophobicContact CG-CD2 3.42Å; Q311-L443 VanDerWaalsContact CG-CD2 3.42Å; L314-L443 HydrophobicContact CB-CD1 3.62Å; L314-L443 HydrophobicContact CB-CG 4.15Å; I315-L443 HydrophobicContact CD1-CD2 4.31Å; I315-L443 HydrophobicContact CG1-CD1 3.83Å; I315-L443 HydrophobicContact CG1-CD2 3.89Å; I415-L443 HydrophobicContact CB-CB 3.88Å; I415-L443 WeakPolarHBondContact CD1-O 3.38Å; I415-L443 HydrophobicContact CG2-CB 4.02Å; T441-L443 PolarHBondContact O-N 2.88Å; T441-L443 PolarHBondContact OG1-N 3.33Å |
| 444 | F | 92.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | trans | -114.5 | 115.9 | -172 | 179.1 | -102 | 0 | 0 | 0 | 112.1 | L407 I415 P439 E440 T441 K446 V449 | L407-F444 HydrophobicContact CB-CD2 4.39Å; L407-F444 HydrophobicContact CB-CE2 4.09Å; L407-F444 HydrophobicContact CD1-CD2 4.26Å; L407-F444 HydrophobicContact CD1-CE2 3.41Å; L407-F444 VanDerWaalsContact CD1-CE2 3.41Å; L407-F444 HydrophobicContact CD1-CZ 3.6Å; L407-F444 HydrophobicContact CG-CE2 4.38Å; I415-F444 HydrophobicContact CD1-CD2 4.3Å; I415-F444 HydrophobicContact CG1-CD2 4.39Å; I415-F444 WeakPolarHBondContact O-CB 3.38Å; P439-F444 WeakPolarHBondContact O-CD1 3.47Å; E440-F444 CarbonylContact C-O 3.52Å; E440-F444 WeakPolarHBondContact CA-O 3.39Å; T441-F444 PolarHBondContact N-O 3.5Å; T441-F444 PolarHBondContact OG1-N 3.1Å; F444-K446 HydrophobicContact CE1-CB 3.99Å; F444-K446 HydrophobicContact CZ-CB 3.97Å; F444-K446 HydrophobicContact CZ-CG 4.15Å; F444-V449 HydrophobicContact CD2-CG2 3.94Å; F444-V449 HydrophobicContact CE2-CB 4.11Å; F444-V449 HydrophobicContact CE2-CG1 4.29Å; F444-V449 HydrophobicContact CE2-CG2 3.95Å | ||
| 445 | N | 90.5 | Very high | 92.7 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | trans | -119.7 | 114.8 | 167.9 | -174.8 | -49 | 0 | 0 | 0 | 109.5 | E440 R447 Q448 V449 | E440-N445 WeakPolarHBondContact OE2-CA 3.48Å; E440-N445 PolarHBondContact OE2-ND2 3.17Å; E440-N445 PolarHBondContact OE2-OD1 2.9Å; N445-R447 PolarHBondContact O-N 2.95Å; N445-R447 VanDerWaalsContact O-N 3.1Å; N445-R447 WeakPolarHBondContact OD1-CA 3.38Å; N445-R447 WeakPolarHBondContact OD1-CB 3.36Å; N445-R447 PolarHBondContact OD1-N 3.5Å; N445-Q448 HydrophobicContact CB-CB 4.46Å; N445-Q448 HydrophobicContact CB-CG 4.46Å; N445-Q448 PolarHBondContact O-N 3.41Å; N445-V449 PolarHBondContact O-N 2.86Å | ||
| 446 | K | 90.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.4 | -174.6 | -165.1 | 177.8 | -170.8 | -144.7 | 0 | 112.6 | E440 F444 Q448 M490 T492 Q498 | E440-K446 WeakPolarHBondContact OE1-CB 3.5Å; E440-K446 PolarHBondContact OE1-N 2.86Å; F444-K446 HydrophobicContact CE1-CB 3.99Å; F444-K446 HydrophobicContact CZ-CB 3.97Å; F444-K446 HydrophobicContact CZ-CG 4.15Å; K446-Q448 VanDerWaalsContact C-N 3.27Å; K446-Q448 PolarHBondContact O-N 3.25Å; K446-M490 WeakPolarHBondContact CE-O 3.29Å; K446-M490 HydrophobicContact CG-CE 4.47Å; K446-M490 PolarHBondContact NZ-O 2.82Å; K446-T492 HydrophobicContact CD-CG2 4.09Å; K446-T492 WeakPolarHBondContact CE-OG1 3.27Å; K446-T492 PolarHBondContact NZ-OG1 2.88Å; K446-Q498 PolarHBondContact O-NE2 2.75Å |
| 447 | R | 90.1 | Very high | 92.7 | Very high | 168 Ų | 168 | 40.3 Ų | 40.3 | 63% | 0.634 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.6 | 177.4 | -54.3 | -177.5 | 179.1 | -178.6 | -0.3 | 113.4 | N445 T495 Q497 | N445-R447 PolarHBondContact O-N 2.95Å; N445-R447 VanDerWaalsContact O-N 3.1Å; N445-R447 WeakPolarHBondContact OD1-CA 3.38Å; N445-R447 WeakPolarHBondContact OD1-CB 3.36Å; N445-R447 PolarHBondContact OD1-N 3.5Å; R447-T495 HydrophobicContact CB-CG2 3.93Å; R447-T495 HydrophobicContact CG-CG2 4.24Å; R447-T495 PolarHBondContact O-OG1 3.24Å; R447-Q497 WeakPolarHBondContact O-CB 3.21Å |
| 448 | Q | 88.3 | Confident | 92.4 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 46% | 0.463 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -27.6 | -177.9 | -68 | 179.1 | -33 | 0 | 0 | 112.8 | N445 K446 Q497 | N445-Q448 HydrophobicContact CB-CB 4.46Å; N445-Q448 HydrophobicContact CB-CG 4.46Å; N445-Q448 PolarHBondContact O-N 3.41Å; K446-Q448 VanDerWaalsContact C-N 3.27Å; K446-Q448 PolarHBondContact O-N 3.25Å; Q448-Q497 HydrophobicContact CG-CB 4.02Å; Q448-Q497 HydrophobicContact CG-CG 4.24Å |
| 449 | V | 92 | Very high | 92.3 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | trans | -81.2 | 135.3 | -176.6 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | I415 F444 N445 M490 Q498 | I415-V449 HydrophobicContact CD1-CG2 3.63Å; F444-V449 HydrophobicContact CD2-CG2 3.94Å; F444-V449 HydrophobicContact CE2-CB 4.11Å; F444-V449 HydrophobicContact CE2-CG1 4.29Å; F444-V449 HydrophobicContact CE2-CG2 3.95Å; N445-V449 PolarHBondContact O-N 2.86Å; V449-M490 HydrophobicContact CB-CE 4.04Å; V449-M490 HydrophobicContact CG1-CE 3.84Å; V449-M490 WeakPolarHBondContact O-CE 3.37Å; V449-Q498 PolarHBondContact O-NE2 2.89Å | ||
| 450 | L | 94.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | trans | -116.5 | 127.8 | 164.1 | -72.9 | 167.8 | 0 | 0 | 0 | 107.7 | F453 L468 L487 Q498 T501 I502 | L450-F453 HydrophobicContact CB-CB 4.1Å; L450-F453 WeakPolarHBondContact O-CB 3.49Å; L450-F453 PolarHBondContact O-N 2.69Å; L450-L468 HydrophobicContact CD2-CD1 4.21Å; L450-L487 HydrophobicContact CD1-CD1 4.2Å; L450-Q498 HydrophobicContact CD1-CB 4.22Å; L450-Q498 HydrophobicContact CD1-CG 4.49Å; L450-Q498 HydrophobicContact CD2-CB 4.03Å; L450-Q498 HydrophobicContact CD2-CG 3.83Å; L450-Q498 HydrophobicContact CG-CB 4.15Å; L450-Q498 HydrophobicContact CG-CG 3.91Å; L450-T501 HydrophobicContact CD1-CG2 4.47Å; L450-I502 HydrophobicContact CD1-CD1 3.78Å; L450-I502 HydrophobicContact CD1-CG1 3.58Å | ||
| 451 | F | 95.9 | Very high | 92.1 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.044 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -61.7 | 143 | 177.3 | 179.8 | -100.7 | 0 | 0 | 0 | 110.5 | F355 L407 F453 F472 V475 L487 A488 M490 | F355-F451 HydrophobicContact CD1-CE1 4.24Å; F355-F451 AromaticContact CD1-CZ 3.65Å; F355-F451 HydrophobicContact CD1-CZ 3.65Å; F355-F451 AromaticContact CE1-CE1 3.9Å; F355-F451 HydrophobicContact CE1-CE1 3.9Å; F355-F451 AromaticContact CE1-CZ 3.78Å; F355-F451 HydrophobicContact CE1-CZ 3.78Å; L407-F451 HydrophobicContact CD2-CD2 4Å; F451-F453 PolarHBondContact O-N 2.66Å; F451-F472 HydrophobicContact CB-CB 4.49Å; F451-F472 HydrophobicContact CD1-CB 3.46Å; F451-F472 VanDerWaalsContact CD1-CB 3.46Å; F451-F472 HydrophobicContact CD2-CB 4.11Å; F451-F472 HydrophobicContact CE1-CB 3.55Å; F451-F472 HydrophobicContact CE2-CB 4.19Å; F451-F472 HydrophobicContact CG-CB 3.75Å; F451-F472 HydrophobicContact CZ-CB 3.92Å; F451-V475 HydrophobicContact CD1-CB 4.01Å; F451-V475 HydrophobicContact CD1-CG1 3.99Å; F451-V475 HydrophobicContact CD1-CG2 4.19Å; F451-V475 HydrophobicContact CE1-CB 4.07Å; F451-V475 HydrophobicContact CE1-CG1 3.94Å; F451-L487 WeakPolarHBondContact O-CA 3.4Å; F451-A488 HydrophobicContact CB-CB 4.27Å; F451-A488 PolarHBondContact N-O 3.01Å; F451-A488 PolarHBondContact O-N 3.32Å; F451-M490 HydrophobicContact CB-CG 4.08Å; F451-M490 HydrophobicContact CB-SD 4.32Å |
| 452 | N | 96.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64 | 8.7 | -179.1 | -166.4 | 51.9 | 0 | 0 | 0 | 115.7 | F355 D454 K455 A456 V475 G486 | F355-N452 HydrophobicContact CE1-CB 4.24Å; F355-N452 VanDerWaalsContact CE1-OD1 3.25Å; F355-N452 WeakPolarHBondContact CE1-OD1 3.17Å; F355-N452 WeakPolarHBondContact CZ-OD1 3.39Å; N452-D454 VanDerWaalsContact C-N 3.3Å; N452-D454 PolarHBondContact O-N 3.47Å; N452-K455 PolarHBondContact O-N 2.94Å; N452-K455 WeakPolarHBondContact OD1-CB 3.33Å; N452-A456 WeakPolarHBondContact O-CB 3.26Å; N452-A456 PolarHBondContact O-N 2.88Å; N452-V475 HydrophobicContact CB-CG1 3.58Å; N452-V475 WeakPolarHBondContact ND2-CG1 3.25Å; N452-G486 PolarHBondContact ND2-O 3.18Å |
| 453 | F | 95.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | -179.2 | -177.8 | -101.1 | 0 | 0 | 0 | 113.4 | F410 L450 F451 R457 L487 T501 V505 | F410-F453 HydrophobicContact CB-CD1 4.25Å; F410-F453 HydrophobicContact CB-CE1 4.19Å; L450-F453 HydrophobicContact CB-CB 4.1Å; L450-F453 WeakPolarHBondContact O-CB 3.49Å; L450-F453 PolarHBondContact O-N 2.69Å; F451-F453 PolarHBondContact O-N 2.66Å; F453-R457 WeakPolarHBondContact O-CB 3.33Å; F453-R457 PolarHBondContact O-N 3.46Å; F453-L487 HydrophobicContact CB-CD2 3.97Å; F453-L487 HydrophobicContact CD2-CD1 4.21Å; F453-L487 HydrophobicContact CD2-CD2 4.04Å; F453-T501 HydrophobicContact CD1-CG2 4.25Å; F453-T501 HydrophobicContact CD2-CG2 4.16Å; F453-T501 HydrophobicContact CE1-CG2 3.78Å; F453-T501 HydrophobicContact CE2-CG2 3.67Å; F453-T501 HydrophobicContact CG-CG2 4.42Å; F453-T501 HydrophobicContact CZ-CG2 3.46Å; F453-T501 VanDerWaalsContact CZ-CG2 3.46Å; F453-V505 HydrophobicContact CE2-CG1 4.2Å; F453-V505 HydrophobicContact CE2-CG2 3.86Å; F453-V505 HydrophobicContact CZ-CG1 3.85Å; F453-V505 HydrophobicContact CZ-CG2 4.35Å |
| 454 | D | 93 | Very high | 92.2 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57 | -49 | 174.7 | 58.6 | -37 | 0 | 0 | 0 | 112.7 | N408 D409 N452 | N408-D454 HydrophobicContact CB-CB 4.38Å; N408-D454 PolarHBondContact ND2-OD2 3.39Å; D409-D454 WeakPolarHBondContact O-CB 3.49Å; N452-D454 VanDerWaalsContact C-N 3.3Å; N452-D454 PolarHBondContact O-N 3.47Å |
| 455 | K | 93.6 | Very high | 92.3 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -80.4 | -42.9 | -179.9 | -59.8 | 173.5 | -176.7 | -71.4 | 0 | 111.9 | E354 F355 N452 W479 | E354-K455 VanDerWaalsContact O-CE 3.28Å; E354-K455 WeakPolarHBondContact O-CE 3.4Å; E354-K455 PolarHBondContact O-NZ 3.28Å; E354-K455 IonicContact OE1-NZ 3.18Å; E354-K455 PolarHBondContact OE1-NZ 2.75Å; F355-K455 HydrophobicContact CE1-CD 4.16Å; F355-K455 HydrophobicContact CZ-CD 4.3Å; N452-K455 PolarHBondContact O-N 2.94Å; N452-K455 WeakPolarHBondContact OD1-CB 3.33Å; K455-W479 HydrophobicContact CB-CH2 4.14Å; K455-W479 HydrophobicContact CB-CZ3 4.01Å; K455-W479 HydrophobicContact CD-CH2 4.07Å; K455-W479 HydrophobicContact CD-CZ3 4.24Å |
| 456 | A | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.2 | -28.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N452 N458 E459 I460 K484 L487 | N452-A456 WeakPolarHBondContact O-CB 3.26Å; N452-A456 PolarHBondContact O-N 2.88Å; A456-N458 VanDerWaalsContact C-N 3.26Å; A456-N458 PolarHBondContact O-N 2.84Å; A456-N458 VanDerWaalsContact O-N 3.12Å; A456-E459 PolarHBondContact O-N 3.35Å; A456-I460 HydrophobicContact CB-CD1 3.67Å; A456-I460 HydrophobicContact CB-CG1 4.26Å; A456-I460 WeakPolarHBondContact O-CB 3.38Å; A456-I460 WeakPolarHBondContact O-CG1 3.44Å; A456-I460 PolarHBondContact O-N 3.03Å; A456-K484 WeakPolarHBondContact CA-O 3.29Å; A456-K484 VanDerWaalsContact CB-O 3.26Å; A456-K484 WeakPolarHBondContact CB-O 3.47Å; A456-L487 HydrophobicContact CB-CD2 3.85Å |
| 457 | R | 91.7 | Very high | 93.1 | Very high | 21 Ų | 21 | 43.8 Ų | 43.8 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -47.5 | -47.1 | -173.9 | 173.6 | 172.9 | 79.9 | -121.3 | 2.4 | 113 | Q223 F410 F453 I460 R461 V505 | Q223-R457 WeakPolarHBondContact O-CD 3.25Å; Q223-R457 WeakPolarHBondContact O-CG 3.33Å; Q223-R457 PolarHBondContact O-NE 3.41Å; F410-R457 PolarHBondContact O-NH1 2.68Å; F453-R457 WeakPolarHBondContact O-CB 3.33Å; F453-R457 PolarHBondContact O-N 3.46Å; R457-I460 PolarHBondContact O-N 2.92Å; R457-R461 VanDerWaalsContact O-CG 3.23Å; R457-R461 WeakPolarHBondContact O-CG 3.48Å; R457-R461 PolarHBondContact O-N 3.26Å; R457-R461 VanDerWaalsContact O-N 3.13Å; R457-V505 HydrophobicContact CG-CG1 3.84Å |
| 458 | N | 87.3 | Confident | 93.4 | Very high | 63 Ų | 63 | 35.9 Ų | 35.9 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69 | -36.2 | -175.8 | -74 | -11 | 0 | 0 | 0 | 112.3 | A456 K462 | A456-N458 VanDerWaalsContact C-N 3.26Å; A456-N458 PolarHBondContact O-N 2.84Å; A456-N458 VanDerWaalsContact O-N 3.12Å; N458-K462 WeakPolarHBondContact O-CG 3.37Å; N458-K462 PolarHBondContact O-N 3.4Å |
| 459 | E | 93.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 31.2 Ų | 31.2 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75.7 | -38.4 | 175.2 | -69.8 | -53.8 | 136.7 | 0 | 0 | 112.5 | A456 R461 K462 Q463 K484 I485 | A456-E459 PolarHBondContact O-N 3.35Å; E459-R461 PolarHBondContact O-N 3.36Å; E459-K462 PolarHBondContact O-N 3.42Å; E459-K462 VanDerWaalsContact O-N 3.1Å; E459-K462 WeakPolarHBondContact OE1-CD 3.42Å; E459-K462 WeakPolarHBondContact OE1-CE 3.44Å; E459-K462 IonicContact OE1-NZ 2.85Å; E459-K462 PolarHBondContact OE1-NZ 2.99Å; E459-Q463 WeakPolarHBondContact O-CB 3.45Å; E459-Q463 WeakPolarHBondContact O-CG 3.37Å; E459-Q463 PolarHBondContact O-N 3.38Å; E459-K484 HydrophobicContact CB-CB 4.47Å; E459-K484 HydrophobicContact CG-CB 4.2Å; E459-I485 HydrophobicContact CB-CG2 3.78Å |
| 460 | I | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -40.5 | 173.7 | -74 | 166.2 | 0 | 0 | 0 | 110.7 | A456 R457 G464 E465 A466 I485 L487 V505 T506 | A456-I460 HydrophobicContact CB-CD1 3.67Å; A456-I460 HydrophobicContact CB-CG1 4.26Å; A456-I460 WeakPolarHBondContact O-CB 3.38Å; A456-I460 WeakPolarHBondContact O-CG1 3.44Å; A456-I460 PolarHBondContact O-N 3.03Å; R457-I460 PolarHBondContact O-N 2.92Å; I460-G464 CarbonylContact O-C 3.45Å; I460-G464 WeakPolarHBondContact O-CA 3.25Å; I460-G464 PolarHBondContact O-N 2.71Å; I460-E465 WeakPolarHBondContact CA-O 3.45Å; I460-E465 PolarHBondContact O-N 3.21Å; I460-A466 HydrophobicContact CD1-CB 3.8Å; I460-A466 HydrophobicContact CG1-CB 3.87Å; I460-A466 HydrophobicContact CG2-CB 4.01Å; I460-I485 HydrophobicContact CG1-CB 3.81Å; I460-I485 HydrophobicContact CG1-CG2 3.98Å; I460-L487 HydrophobicContact CD1-CD1 3.8Å; I460-L487 HydrophobicContact CD1-CD2 3.87Å; I460-L487 HydrophobicContact CD1-CG 3.86Å; I460-V505 HydrophobicContact CG2-CB 4.35Å; I460-V505 HydrophobicContact CG2-CG2 3.8Å; I460-T506 HydrophobicContact CG2-CG2 3.81Å |
| 461 | R | 87.5 | Confident | 93.7 | Very high | 63 Ų | 63 | 33.7 Ų | 33.7 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.9 | -39.7 | 177.2 | -70 | 174.1 | 66.5 | 91.8 | 15.9 | 113.8 | Q223 Y224 V225 R457 E459 V505 | Q223-R461 VanDerWaalsContact C-CD 3.49Å; Q223-R461 VanDerWaalsContact N-CZ 3.31Å; Q223-R461 WeakPolarHBondContact O-CD 3.37Å; Y224-R461 PolarHBondContact O-NH1 3.49Å; V225-R461 VanDerWaalsContact O-CZ 3.31Å; V225-R461 PolarHBondContact O-NH1 3.32Å; V225-R461 PolarHBondContact O-NH2 2.89Å; R457-R461 VanDerWaalsContact O-CG 3.23Å; R457-R461 WeakPolarHBondContact O-CG 3.48Å; R457-R461 PolarHBondContact O-N 3.26Å; R457-R461 VanDerWaalsContact O-N 3.13Å; E459-R461 PolarHBondContact O-N 3.36Å; R461-V505 HydrophobicContact CG-CB 4.22Å |
| 462 | K | 87.5 | Confident | 93.5 | Very high | 151 Ų | 151 | 33.6 Ų | 33.6 | 66% | 0.657 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -67.5 | -42.1 | 178.3 | -71.9 | 170.1 | -172.9 | 175.4 | 0 | 111.6 | N458 E459 | N458-K462 WeakPolarHBondContact O-CG 3.37Å; N458-K462 PolarHBondContact O-N 3.4Å; E459-K462 PolarHBondContact O-N 3.42Å; E459-K462 VanDerWaalsContact O-N 3.1Å; E459-K462 WeakPolarHBondContact OE1-CD 3.42Å; E459-K462 WeakPolarHBondContact OE1-CE 3.44Å; E459-K462 IonicContact OE1-NZ 2.85Å; E459-K462 PolarHBondContact OE1-NZ 2.99Å |
| 463 | Q | 92.2 | Very high | 93.4 | Very high | 102 Ų | 102 | 33.9 Ų | 33.9 | 48% | 0.477 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -84.2 | -20.8 | -178.4 | -60.8 | -178.1 | 34.5 | 0 | 0 | 112.1 | E459 E465 I485 | E459-Q463 WeakPolarHBondContact O-CB 3.45Å; E459-Q463 WeakPolarHBondContact O-CG 3.37Å; E459-Q463 PolarHBondContact O-N 3.38Å; Q463-E465 HydrophobicContact CB-CG 4.45Å; Q463-I485 HydrophobicContact CB-CG2 4.48Å; Q463-I485 HydrophobicContact CG-CG2 4.4Å |
| 464 | G | 91.5 | Very high | 93.4 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 14 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I460 T506 | I460-G464 CarbonylContact O-C 3.45Å; I460-G464 WeakPolarHBondContact O-CA 3.25Å; I460-G464 PolarHBondContact O-N 2.71Å; G464-T506 PolarHBondContact O-OG1 3.3Å |
| 465 | E | 96.1 | Very high | 93.6 | Very high | 22 Ų | 22 | 31.9 Ų | 31.9 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | trans | -152 | 158.3 | -177 | 61.4 | 171.2 | -163.5 | 0 | 0 | 112.5 | I460 Q463 I485 T506 Q508 R569 | I460-E465 WeakPolarHBondContact CA-O 3.45Å; I460-E465 PolarHBondContact O-N 3.21Å; Q463-E465 HydrophobicContact CB-CG 4.45Å; E465-I485 HydrophobicContact CG-CD1 3.85Å; E465-T506 WeakPolarHBondContact CA-OG1 3.48Å; E465-T506 PolarHBondContact N-OG1 3.19Å; E465-Q508 WeakPolarHBondContact CA-O 3.45Å; E465-Q508 HydrophobicContact CB-CB 3.96Å; E465-Q508 HydrophobicContact CB-CG 3.83Å; E465-Q508 PolarHBondContact OE2-NE2 2.93Å; E465-R569 VanDerWaalsContact CD-NH1 3.25Å; E465-R569 IonicContact OE1-CZ 3.91Å; E465-R569 VanDerWaalsContact OE1-CZ 3.27Å; E465-R569 IonicContact OE1-NH1 3.57Å; E465-R569 PolarHBondContact OE1-NH1 3.42Å; E465-R569 IonicContact OE1-NH2 2.68Å; E465-R569 PolarHBondContact OE1-NH2 2.92Å; E465-R569 IonicContact OE2-CZ 2.77Å; E465-R569 IonicContact OE2-NH1 2.75Å; E465-R569 PolarHBondContact OE2-NH1 3.22Å; E465-R569 IonicContact OE2-NH2 3.73Å | ||
| 466 | A | 97.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | I460 L487 T506 Q508 V509 V510 | I460-A466 HydrophobicContact CD1-CB 3.8Å; I460-A466 HydrophobicContact CG1-CB 3.87Å; I460-A466 HydrophobicContact CG2-CB 4.01Å; A466-L487 HydrophobicContact CB-CD1 4.11Å; A466-T506 HydrophobicContact CB-CG2 4.03Å; A466-Q508 PolarHBondContact N-O 3.37Å; A466-V509 WeakPolarHBondContact O-CA 3.49Å; A466-V510 PolarHBondContact O-N 3.48Å |
| 467 | I | 98.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126.7 | 171.2 | -51.9 | -175.3 | 0 | 0 | 0 | 108.8 | F469 I483 I485 G486 L487 V510 A512 L565 | I467-F469 HydrophobicContact CB-CE2 3.88Å; I467-F469 HydrophobicContact CB-CZ 4.19Å; I467-F469 HydrophobicContact CG2-CD2 4.16Å; I467-F469 HydrophobicContact CG2-CE1 4.04Å; I467-F469 HydrophobicContact CG2-CE2 3.52Å; I467-F469 HydrophobicContact CG2-CZ 3.45Å; I467-F469 VanDerWaalsContact CG2-CZ 3.45Å; I467-I483 HydrophobicContact CD1-CG2 3.76Å; I467-I485 HydrophobicContact CD1-CD1 4.18Å; I467-I485 HydrophobicContact CD1-CG1 4.3Å; I467-I485 HydrophobicContact CG1-CD1 3.84Å; I467-I485 HydrophobicContact CG1-CG1 4.05Å; I467-I485 PolarHBondContact N-O 2.93Å; I467-G486 CarbonylContact O-C 3.6Å; I467-G486 WeakPolarHBondContact O-CA 3.38Å; I467-L487 PolarHBondContact O-N 3.38Å; I467-V510 CarbonylContact C-O 3.54Å; I467-V510 WeakPolarHBondContact CA-O 3.28Å; I467-V510 HydrophobicContact CG1-CB 4.12Å; I467-V510 HydrophobicContact CG1-CG2 4.26Å; I467-V510 HydrophobicContact CG2-CB 4.35Å; I467-A512 HydrophobicContact CG2-CB 3.79Å; I467-L565 HydrophobicContact CD1-CB 4.27Å; I467-L565 HydrophobicContact CG2-CD2 4.49Å |
| 468 | L | 97.5 | Very high | 94 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.8 | -178.3 | -172.4 | 68.9 | 0 | 0 | 0 | 110.5 | L450 L487 L494 I502 V509 V510 A512 Y513 | L450-L468 HydrophobicContact CD2-CD1 4.21Å; L468-L487 HydrophobicContact CD1-CB 4.27Å; L468-L494 HydrophobicContact CD2-CD1 3.99Å; L468-L494 HydrophobicContact CD2-CD2 3.86Å; L468-L494 HydrophobicContact CD2-CG 4.48Å; L468-I502 HydrophobicContact CD1-CD1 4.46Å; L468-V509 HydrophobicContact CB-CG1 4.07Å; L468-V510 PolarHBondContact N-O 2.95Å; L468-A512 PolarHBondContact O-N 3.18Å; L468-Y513 HydrophobicContact CD2-CE1 4.33Å; L468-Y513 WeakPolarHBondContact CD2-OH 3.43Å; L468-Y513 HydrophobicContact CG-CE1 4.01Å; L468-Y513 WeakPolarHBondContact O-CD1 3.48Å; L468-Y513 WeakPolarHBondContact O-CE1 3.4Å |
| 469 | F | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 164.2 | 178.8 | -61.9 | -80.5 | 0 | 0 | 0 | 111.5 | I467 D474 V475 A478 L487 A488 S489 A512 Y513 P549 L565 | I467-F469 HydrophobicContact CB-CE2 3.88Å; I467-F469 HydrophobicContact CB-CZ 4.19Å; I467-F469 HydrophobicContact CG2-CD2 4.16Å; I467-F469 HydrophobicContact CG2-CE1 4.04Å; I467-F469 HydrophobicContact CG2-CE2 3.52Å; I467-F469 HydrophobicContact CG2-CZ 3.45Å; I467-F469 VanDerWaalsContact CG2-CZ 3.45Å; F469-D474 HydrophobicContact CB-CB 3.74Å; F469-D474 HydrophobicContact CD1-CB 3.55Å; F469-D474 HydrophobicContact CE1-CB 4.31Å; F469-D474 HydrophobicContact CG-CB 3.77Å; F469-V475 HydrophobicContact CB-CG2 4.16Å; F469-V475 HydrophobicContact CD2-CG2 3.74Å; F469-V475 HydrophobicContact CG-CG2 4.27Å; F469-A478 HydrophobicContact CE2-CB 3.83Å; F469-A478 HydrophobicContact CZ-CB 3.62Å; F469-L487 PolarHBondContact N-O 2.84Å; F469-A488 HydrophobicContact CB-CB 4.33Å; F469-A488 WeakPolarHBondContact O-CA 3.41Å; F469-S489 PolarHBondContact O-N 3.24Å; F469-A512 HydrophobicContact CD1-CB 4.02Å; F469-A512 WeakPolarHBondContact CD1-O 3.41Å; F469-A512 HydrophobicContact CE1-CB 3.75Å; F469-A512 HydrophobicContact CZ-CB 4.47Å; F469-Y513 VanDerWaalsContact C-CE1 3.41Å; F469-Y513 WeakPolarHBondContact O-CE1 3.36Å; F469-P549 HydrophobicContact CD1-CB 4.45Å; F469-P549 HydrophobicContact CD1-CG 3.91Å; F469-P549 HydrophobicContact CE1-CB 4.19Å; F469-P549 HydrophobicContact CE1-CG 3.93Å; F469-L565 HydrophobicContact CE1-CD1 4.36Å; F469-L565 HydrophobicContact CE1-CD2 4.15Å; F469-L565 HydrophobicContact CZ-CD1 3.96Å; F469-L565 HydrophobicContact CZ-CD2 4.25Å |
| 470 | E | 93.5 | Very high | 94.5 | Very high | 52 Ų | 52 | 26.3 Ų | 26.3 | 24% | 0.243 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -84 | -44.7 | 177.7 | -176.3 | 158 | 171.6 | 0 | 0 | 111.4 | M490 G491 Y513 | E470-M490 WeakPolarHBondContact O-CA 3.45Å; E470-M490 PolarHBondContact O-N 3Å; E470-M490 VanDerWaalsContact O-N 3.16Å; E470-G491 PolarHBondContact O-N 2.82Å; E470-Y513 HydrophobicContact CB-CD1 4.03Å; E470-Y513 HydrophobicContact CB-CE1 4.42Å; E470-Y513 HydrophobicContact CB-CG 4.22Å |
| 471 | G | 91.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 26.4 Ų | 26.4 | 22% | 0.216 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -107.7 | 161.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D474 A488 | G471-D474 WeakPolarHBondContact CA-OD2 3.34Å; G471-D474 PolarHBondContact N-OD2 3.05Å; G471-A488 WeakPolarHBondContact O-CB 3.27Å |
| 472 | F | 91.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -75.7 | -23.8 | 172.6 | 53.7 | -101 | 0 | 0 | 0 | 112.7 | F405 S418 Y435 F451 D474 V475 L476 | F405-F472 AromaticContact CD1-CD2 3.87Å; F405-F472 HydrophobicContact CD1-CD2 3.87Å; F405-F472 AromaticContact CD1-CE2 3.84Å; F405-F472 HydrophobicContact CD1-CE2 3.84Å; F405-F472 HydrophobicContact CD2-CD2 4.27Å; F405-F472 AromaticContact CD2-CE2 3.48Å; F405-F472 HydrophobicContact CD2-CE2 3.48Å; F405-F472 VanDerWaalsContact CD2-CE2 3.48Å; F405-F472 AromaticContact CD2-CZ 3.71Å; F405-F472 HydrophobicContact CD2-CZ 3.71Å; F405-F472 HydrophobicContact CE1-CD2 4.02Å; F405-F472 AromaticContact CE1-CE2 3.81Å; F405-F472 HydrophobicContact CE1-CE2 3.81Å; F405-F472 HydrophobicContact CE2-CD2 4.43Å; F405-F472 AromaticContact CE2-CE2 3.47Å; F405-F472 HydrophobicContact CE2-CE2 3.47Å; F405-F472 VanDerWaalsContact CE2-CE2 3.47Å; F405-F472 AromaticContact CE2-CZ 3.94Å; F405-F472 HydrophobicContact CE2-CZ 3.94Å; F405-F472 HydrophobicContact CG-CD2 4.02Å; F405-F472 AromaticContact CG-CE2 3.69Å; F405-F472 HydrophobicContact CG-CE2 3.69Å; F405-F472 HydrophobicContact CG-CZ 4.16Å; F405-F472 HydrophobicContact CZ-CD2 4.31Å; F405-F472 AromaticContact CZ-CE2 3.65Å; F405-F472 HydrophobicContact CZ-CE2 3.65Å; S418-F472 WeakPolarHBondContact OG-CE1 3.4Å; Y435-F472 HydrophobicContact CD1-CE1 4.02Å; Y435-F472 AromaticContact CD1-CZ 3.55Å; Y435-F472 HydrophobicContact CD1-CZ 3.55Å; Y435-F472 HydrophobicContact CE1-CE1 4.1Å; Y435-F472 HydrophobicContact CE1-CE2 4.02Å; Y435-F472 AromaticContact CE1-CZ 3.34Å; Y435-F472 HydrophobicContact CE1-CZ 3.34Å; F451-F472 HydrophobicContact CB-CB 4.49Å; F451-F472 HydrophobicContact CD1-CB 3.46Å; F451-F472 VanDerWaalsContact CD1-CB 3.46Å; F451-F472 HydrophobicContact CD2-CB 4.11Å; F451-F472 HydrophobicContact CE1-CB 3.55Å; F451-F472 HydrophobicContact CE2-CB 4.19Å; F451-F472 HydrophobicContact CG-CB 3.75Å; F451-F472 HydrophobicContact CZ-CB 3.92Å; F472-D474 VanDerWaalsContact C-N 3.26Å; F472-D474 PolarHBondContact O-N 2.8Å; F472-V475 WeakPolarHBondContact O-CB 3.27Å; F472-V475 PolarHBondContact O-N 2.59Å; F472-L476 WeakPolarHBondContact O-CG 3.46Å; F472-L476 PolarHBondContact O-N 2.68Å |
| 473 | M | 92.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -37.8 | 173.6 | -70.2 | -63 | -49.2 | 0 | 0 | 111.4 | L347 F405 R420 V475 L476 A477 D550 | L347-M473 HydrophobicContact CD1-CE 4.19Å; F405-M473 HydrophobicContact CZ-SD 4.38Å; R420-M473 PolarHBondContact NH1-SD 3.07Å; M473-V475 VanDerWaalsContact C-N 3.32Å; M473-V475 PolarHBondContact O-N 2.79Å; M473-L476 WeakPolarHBondContact O-CB 3.3Å; M473-L476 PolarHBondContact O-N 2.79Å; M473-L476 HydrophobicContact SD-CD1 4.46Å; M473-A477 WeakPolarHBondContact O-CB 3.45Å; M473-A477 PolarHBondContact O-N 3.32Å; M473-D550 HydrophobicContact CB-CB 4.26Å |
| 474 | D | 95.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 179 | -43.6 | -46.4 | 0 | 0 | 0 | 111.6 | F469 G471 F472 A477 A478 P549 | F469-D474 HydrophobicContact CB-CB 3.74Å; F469-D474 HydrophobicContact CD1-CB 3.55Å; F469-D474 HydrophobicContact CE1-CB 4.31Å; F469-D474 HydrophobicContact CG-CB 3.77Å; G471-D474 WeakPolarHBondContact CA-OD2 3.34Å; G471-D474 PolarHBondContact N-OD2 3.05Å; F472-D474 VanDerWaalsContact C-N 3.26Å; F472-D474 PolarHBondContact O-N 2.8Å; D474-A477 PolarHBondContact O-N 3.08Å; D474-A478 WeakPolarHBondContact O-CB 3.15Å; D474-A478 PolarHBondContact O-N 2.88Å; D474-P549 HydrophobicContact CB-CB 3.93Å; D474-P549 HydrophobicContact CB-CG 3.97Å; D474-P549 WeakPolarHBondContact OD1-CD 3.26Å |
| 475 | V | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 111 | F451 N452 F469 F472 M473 W479 G486 A488 | F451-V475 HydrophobicContact CD1-CB 4.01Å; F451-V475 HydrophobicContact CD1-CG1 3.99Å; F451-V475 HydrophobicContact CD1-CG2 4.19Å; F451-V475 HydrophobicContact CE1-CB 4.07Å; F451-V475 HydrophobicContact CE1-CG1 3.94Å; N452-V475 HydrophobicContact CB-CG1 3.58Å; N452-V475 WeakPolarHBondContact ND2-CG1 3.25Å; F469-V475 HydrophobicContact CB-CG2 4.16Å; F469-V475 HydrophobicContact CD2-CG2 3.74Å; F469-V475 HydrophobicContact CG-CG2 4.27Å; F472-V475 WeakPolarHBondContact O-CB 3.27Å; F472-V475 PolarHBondContact O-N 2.59Å; M473-V475 VanDerWaalsContact C-N 3.32Å; M473-V475 PolarHBondContact O-N 2.79Å; V475-W479 WeakPolarHBondContact O-CB 3.45Å; V475-W479 PolarHBondContact O-N 3.31Å; V475-G486 WeakPolarHBondContact CG1-O 3.43Å; V475-A488 HydrophobicContact CG2-CB 3.74Å |
| 476 | L | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 173.4 | -65.8 | 177.5 | 0 | 0 | 0 | 111.2 | L347 L351 F355 I357 F405 F472 M473 A478 W479 Q480 | L347-L476 HydrophobicContact CD2-CD1 3.97Å; L351-L476 HydrophobicContact CD1-CD2 4.17Å; L351-L476 HydrophobicContact CD2-CB 4.27Å; L351-L476 HydrophobicContact CD2-CD2 4.37Å; L351-L476 HydrophobicContact CG-CD2 4.23Å; F355-L476 HydrophobicContact CB-CD2 4.31Å; F355-L476 HydrophobicContact CD1-CD2 3.79Å; F355-L476 HydrophobicContact CD2-CD2 3.4Å; F355-L476 HydrophobicContact CE1-CD2 3.88Å; F355-L476 HydrophobicContact CE2-CD2 3.51Å; F355-L476 HydrophobicContact CG-CD2 3.54Å; F355-L476 HydrophobicContact CZ-CD2 3.75Å; I357-L476 HydrophobicContact CD1-CD1 4.15Å; F405-L476 HydrophobicContact CD1-CD1 4.33Å; F405-L476 HydrophobicContact CE1-CD1 3.78Å; F472-L476 WeakPolarHBondContact O-CG 3.46Å; F472-L476 PolarHBondContact O-N 2.68Å; M473-L476 WeakPolarHBondContact O-CB 3.3Å; M473-L476 PolarHBondContact O-N 2.79Å; M473-L476 HydrophobicContact SD-CD1 4.46Å; L476-A478 PolarHBondContact O-N 2.86Å; L476-W479 WeakPolarHBondContact O-CB 3.22Å; L476-W479 PolarHBondContact O-N 2.72Å; L476-Q480 WeakPolarHBondContact O-CG 3.29Å; L476-Q480 PolarHBondContact O-N 3.45Å |
| 477 | A | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M473 D474 W479 Q480 A481 D550 L553 L561 | M473-A477 WeakPolarHBondContact O-CB 3.45Å; M473-A477 PolarHBondContact O-N 3.32Å; D474-A477 PolarHBondContact O-N 3.08Å; A477-W479 VanDerWaalsContact C-N 3.35Å; A477-W479 PolarHBondContact O-N 2.97Å; A477-Q480 PolarHBondContact O-N 2.98Å; A477-A481 PolarHBondContact O-N 3.32Å; A477-D550 HydrophobicContact CB-CB 4.35Å; A477-L553 HydrophobicContact CB-CB 4.12Å; A477-L553 HydrophobicContact CB-CD2 3.65Å; A477-L561 HydrophobicContact CB-CD2 4.11Å |
| 478 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F469 D474 L476 A481 G482 I483 L565 | F469-A478 HydrophobicContact CE2-CB 3.83Å; F469-A478 HydrophobicContact CZ-CB 3.62Å; D474-A478 WeakPolarHBondContact O-CB 3.15Å; D474-A478 PolarHBondContact O-N 2.88Å; L476-A478 PolarHBondContact O-N 2.86Å; A478-A481 CarbonylContact O-C 3.57Å; A478-A481 WeakPolarHBondContact O-CA 3.37Å; A478-A481 PolarHBondContact O-N 3.49Å; A478-G482 PolarHBondContact O-N 2.97Å; A478-I483 CarbonylContact C-O 3.5Å; A478-I483 HydrophobicContact CB-CB 4.24Å; A478-I483 HydrophobicContact CB-CG2 4.38Å; A478-I483 WeakPolarHBondContact O-CA 3.46Å; A478-I483 WeakPolarHBondContact O-CB 3.38Å; A478-I483 PolarHBondContact O-N 2.93Å; A478-L565 HydrophobicContact CB-CD1 4.28Å |
| 479 | W | 97 | Very high | 95.5 | Very high | 38 Ų | 38 | 16.1 Ų | 16.1 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.7 | -172.8 | -74.7 | 0 | 0 | 0 | 112.3 | L351 E354 F355 K455 V475 L476 A477 A481 G482 K484 | L351-W479 HydrophobicContact CD1-CB 4.31Å; L351-W479 HydrophobicContact CD1-CG 3.95Å; E354-W479 HydrophobicContact CG-CH2 4.29Å; E354-W479 HydrophobicContact CG-CZ2 3.6Å; F355-W479 HydrophobicContact CE2-CB 4.42Å; F355-W479 AromaticContact CE2-CD2 3.67Å; F355-W479 HydrophobicContact CE2-CD2 3.67Å; F355-W479 AromaticContact CE2-CE2 3.93Å; F355-W479 AromaticContact CE2-CE3 3.96Å; F355-W479 HydrophobicContact CE2-CE3 3.96Å; F355-W479 AromaticContact CE2-CG 3.89Å; F355-W479 HydrophobicContact CE2-CG 3.89Å; F355-W479 HydrophobicContact CE2-CZ2 4.44Å; F355-W479 HydrophobicContact CE2-CZ3 4.44Å; F355-W479 AromaticContact CZ-CD2 3.87Å; F355-W479 HydrophobicContact CZ-CD2 3.87Å; F355-W479 AromaticContact CZ-CE3 3.66Å; F355-W479 HydrophobicContact CZ-CE3 3.66Å; F355-W479 HydrophobicContact CZ-CG 4.3Å; F355-W479 HydrophobicContact CZ-CZ3 4.07Å; K455-W479 HydrophobicContact CB-CH2 4.14Å; K455-W479 HydrophobicContact CB-CZ3 4.01Å; K455-W479 HydrophobicContact CD-CH2 4.07Å; K455-W479 HydrophobicContact CD-CZ3 4.24Å; V475-W479 WeakPolarHBondContact O-CB 3.45Å; V475-W479 PolarHBondContact O-N 3.31Å; L476-W479 WeakPolarHBondContact O-CB 3.22Å; L476-W479 PolarHBondContact O-N 2.72Å; A477-W479 VanDerWaalsContact C-N 3.35Å; A477-W479 PolarHBondContact O-N 2.97Å; W479-A481 VanDerWaalsContact C-N 3.33Å; W479-G482 WeakPolarHBondContact O-CA 3.12Å; W479-G482 PolarHBondContact O-N 3.36Å; W479-K484 HydrophobicContact CD2-CG 4.19Å; W479-K484 HydrophobicContact CE3-CB 4.21Å; W479-K484 HydrophobicContact CE3-CG 4.04Å; W479-K484 HydrophobicContact CH2-CD 4.17Å; W479-K484 HydrophobicContact CH2-CG 4.47Å; W479-K484 HydrophobicContact CZ2-CD 4.19Å; W479-K484 HydrophobicContact CZ3-CB 4.19Å; W479-K484 HydrophobicContact CZ3-CD 4.38Å; W479-K484 HydrophobicContact CZ3-CG 4.2Å |
| 480 | Q | 94.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 16.7 Ų | 16.7 | 18% | 0.182 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 172.9 | -70 | -177.6 | -106.6 | 0 | 0 | 111.4 | G346 L351 L476 A477 G482 L553 | G346-Q480 PolarHBondContact O-NE2 3.01Å; L351-Q480 HydrophobicContact CD1-CG 4.43Å; L351-Q480 HydrophobicContact CD2-CG 3.69Å; L476-Q480 WeakPolarHBondContact O-CG 3.29Å; L476-Q480 PolarHBondContact O-N 3.45Å; A477-Q480 PolarHBondContact O-N 2.98Å; Q480-G482 PolarHBondContact O-N 2.84Å; Q480-L553 HydrophobicContact CB-CD2 4.09Å |
| 481 | A | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 13.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A477 A478 W479 I483 E558 L561 Q562 | A477-A481 PolarHBondContact O-N 3.32Å; A478-A481 CarbonylContact O-C 3.57Å; A478-A481 WeakPolarHBondContact O-CA 3.37Å; A478-A481 PolarHBondContact O-N 3.49Å; W479-A481 VanDerWaalsContact C-N 3.33Å; A481-I483 VanDerWaalsContact C-N 3.27Å; A481-I483 PolarHBondContact O-N 3.34Å; A481-E558 HydrophobicContact CB-CB 4.37Å; A481-E558 WeakPolarHBondContact CB-O 3.49Å; A481-L561 HydrophobicContact CB-CB 4.26Å; A481-L561 HydrophobicContact CB-CD2 4.09Å; A481-L561 HydrophobicContact CB-CG 4.27Å; A481-Q562 HydrophobicContact CB-CB 4.37Å; A481-Q562 PolarHBondContact O-NE2 3.14Å |
| 482 | G | 95.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 18.1 Ų | 18.1 | 51% | 0.505 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 2.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | A478 W479 Q480 K484 | A478-G482 PolarHBondContact O-N 2.97Å; W479-G482 WeakPolarHBondContact O-CA 3.12Å; W479-G482 PolarHBondContact O-N 3.36Å; Q480-G482 PolarHBondContact O-N 2.84Å; G482-K484 PolarHBondContact O-N 3.06Å |
| 483 | I | 96.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.067 | 14% | 0.139 | C | C | . | . | trans | -92 | 91.2 | -176.4 | -63.9 | 175 | 0 | 0 | 0 | 109.5 | I467 A478 A481 I485 Q562 L565 | I467-I483 HydrophobicContact CD1-CG2 3.76Å; A478-I483 CarbonylContact C-O 3.5Å; A478-I483 HydrophobicContact CB-CB 4.24Å; A478-I483 HydrophobicContact CB-CG2 4.38Å; A478-I483 WeakPolarHBondContact O-CA 3.46Å; A478-I483 WeakPolarHBondContact O-CB 3.38Å; A478-I483 PolarHBondContact O-N 2.93Å; A481-I483 VanDerWaalsContact C-N 3.27Å; A481-I483 PolarHBondContact O-N 3.34Å; I483-I485 VanDerWaalsContact C-N 3.29Å; I483-I485 HydrophobicContact CG2-CG1 3.78Å; I483-I485 PolarHBondContact O-N 2.77Å; I483-Q562 HydrophobicContact CD1-CB 4.35Å; I483-Q562 HydrophobicContact CD1-CG 4.17Å; I483-Q562 HydrophobicContact CG1-CG 4.46Å; I483-L565 HydrophobicContact CD1-CB 3.72Å; I483-L565 HydrophobicContact CD1-CD1 3.73Å; I483-L565 HydrophobicContact CD1-CG 4.37Å | ||
| 484 | K | 96.6 | Very high | 92.3 | Very high | 93 Ų | 93 | 21.4 Ų | 21.4 | 40% | 0.404 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.4 | -176.3 | -59.6 | -169.6 | 179 | -171.2 | 0 | 115.2 | A456 E459 W479 G482 | A456-K484 WeakPolarHBondContact CA-O 3.29Å; A456-K484 VanDerWaalsContact CB-O 3.26Å; A456-K484 WeakPolarHBondContact CB-O 3.47Å; E459-K484 HydrophobicContact CB-CB 4.47Å; E459-K484 HydrophobicContact CG-CB 4.2Å; W479-K484 HydrophobicContact CD2-CG 4.19Å; W479-K484 HydrophobicContact CE3-CB 4.21Å; W479-K484 HydrophobicContact CE3-CG 4.04Å; W479-K484 HydrophobicContact CH2-CD 4.17Å; W479-K484 HydrophobicContact CH2-CG 4.47Å; W479-K484 HydrophobicContact CZ2-CD 4.19Å; W479-K484 HydrophobicContact CZ3-CB 4.19Å; W479-K484 HydrophobicContact CZ3-CD 4.38Å; W479-K484 HydrophobicContact CZ3-CG 4.2Å; G482-K484 PolarHBondContact O-N 3.06Å |
| 485 | I | 97.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 13.4 | -178.3 | 60.5 | 164 | 0 | 0 | 0 | 114 | E459 I460 Q463 E465 I467 I483 | E459-I485 HydrophobicContact CB-CG2 3.78Å; I460-I485 HydrophobicContact CG1-CB 3.81Å; I460-I485 HydrophobicContact CG1-CG2 3.98Å; Q463-I485 HydrophobicContact CB-CG2 4.48Å; Q463-I485 HydrophobicContact CG-CG2 4.4Å; E465-I485 HydrophobicContact CG-CD1 3.85Å; I467-I485 HydrophobicContact CD1-CD1 4.18Å; I467-I485 HydrophobicContact CD1-CG1 4.3Å; I467-I485 HydrophobicContact CG1-CD1 3.84Å; I467-I485 HydrophobicContact CG1-CG1 4.05Å; I467-I485 PolarHBondContact N-O 2.93Å; I483-I485 VanDerWaalsContact C-N 3.29Å; I483-I485 HydrophobicContact CG2-CG1 3.78Å; I483-I485 PolarHBondContact O-N 2.77Å |
| 486 | G | 97.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N452 I467 V475 | N452-G486 PolarHBondContact ND2-O 3.18Å; I467-G486 CarbonylContact O-C 3.6Å; I467-G486 WeakPolarHBondContact O-CA 3.38Å; V475-G486 WeakPolarHBondContact CG1-O 3.43Å |
| 487 | L | 97.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.3 | 174.5 | -58 | 178.5 | 0 | 0 | 0 | 109.6 | L450 F451 F453 A456 I460 A466 I467 L468 F469 I502 | L450-L487 HydrophobicContact CD1-CD1 4.2Å; F451-L487 WeakPolarHBondContact O-CA 3.4Å; F453-L487 HydrophobicContact CB-CD2 3.97Å; F453-L487 HydrophobicContact CD2-CD1 4.21Å; F453-L487 HydrophobicContact CD2-CD2 4.04Å; A456-L487 HydrophobicContact CB-CD2 3.85Å; I460-L487 HydrophobicContact CD1-CD1 3.8Å; I460-L487 HydrophobicContact CD1-CD2 3.87Å; I460-L487 HydrophobicContact CD1-CG 3.86Å; A466-L487 HydrophobicContact CB-CD1 4.11Å; I467-L487 PolarHBondContact O-N 3.38Å; L468-L487 HydrophobicContact CD1-CB 4.27Å; F469-L487 PolarHBondContact N-O 2.84Å; L487-I502 HydrophobicContact CD1-CG1 4.09Å |
| 488 | A | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F451 F469 G471 V475 M490 | F451-A488 HydrophobicContact CB-CB 4.27Å; F451-A488 PolarHBondContact N-O 3.01Å; F451-A488 PolarHBondContact O-N 3.32Å; F469-A488 HydrophobicContact CB-CB 4.33Å; F469-A488 WeakPolarHBondContact O-CA 3.41Å; G471-A488 WeakPolarHBondContact O-CB 3.27Å; V475-A488 HydrophobicContact CG2-CB 3.74Å; A488-M490 VanDerWaalsContact C-N 3.3Å |
| 489 | S | 91.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | trans | -85.4 | 1.4 | 174.8 | 70.7 | 0 | 0 | 0 | 0 | 113.9 | F469 G491 T492 | F469-S489 PolarHBondContact O-N 3.24Å; S489-G491 PolarHBondContact O-N 3.44Å; S489-T492 PolarHBondContact O-N 2.89Å; S489-T492 PolarHBondContact O-OG1 3.44Å; S489-T492 PolarHBondContact OG-O 2.75Å | ||
| 490 | M | 85.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 28 Ų | 28 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | trans | 59.7 | 44.6 | 173.1 | -54.6 | 172.3 | -80.3 | 0 | 0 | 113.8 | L407 K446 V449 F451 E470 A488 T492 | L407-M490 HydrophobicContact CD1-SD 3.97Å; L407-M490 HydrophobicContact CD2-SD 3.54Å; L407-M490 VanDerWaalsContact CD2-SD 3.54Å; L407-M490 HydrophobicContact CG-SD 4.38Å; K446-M490 WeakPolarHBondContact CE-O 3.29Å; K446-M490 HydrophobicContact CG-CE 4.47Å; K446-M490 PolarHBondContact NZ-O 2.82Å; V449-M490 HydrophobicContact CB-CE 4.04Å; V449-M490 HydrophobicContact CG1-CE 3.84Å; V449-M490 WeakPolarHBondContact O-CE 3.37Å; F451-M490 HydrophobicContact CB-CG 4.08Å; F451-M490 HydrophobicContact CB-SD 4.32Å; E470-M490 WeakPolarHBondContact O-CA 3.45Å; E470-M490 PolarHBondContact O-N 3Å; E470-M490 VanDerWaalsContact O-N 3.16Å; A488-M490 VanDerWaalsContact C-N 3.3Å; M490-T492 VanDerWaalsContact C-N 3.33Å; M490-T492 PolarHBondContact O-N 2.77Å | ||
| 491 | G | 73.5 | Confident | 90.3 | Very high | 50 Ų | 50 | 27.2 Ų | 27.2 | 52% | 0.515 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 65.6 | 31.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | E470 S489 | E470-G491 PolarHBondContact O-N 2.82Å; S489-G491 PolarHBondContact O-N 3.44Å |
| 492 | T | 69.1 | Low | 90.2 | Very high | 53 Ų | 53 | 27.2 Ų | 27.2 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -119.6 | 152.8 | 166.9 | 10.3 | 0 | 0 | 0 | 0 | 110.3 | K446 S489 M490 L494 | K446-T492 HydrophobicContact CD-CG2 4.09Å; K446-T492 WeakPolarHBondContact CE-OG1 3.27Å; K446-T492 PolarHBondContact NZ-OG1 2.88Å; S489-T492 PolarHBondContact O-N 2.89Å; S489-T492 PolarHBondContact O-OG1 3.44Å; S489-T492 PolarHBondContact OG-O 2.75Å; M490-T492 VanDerWaalsContact C-N 3.33Å; M490-T492 PolarHBondContact O-N 2.77Å; T492-L494 PolarHBondContact O-N 2.87Å |
| 493 | S | 82 | Confident | 90 | Very high | 81 Ų | 81 | 26 Ų | 26 | 57% | 0.566 | 15% | 0.153 | S | C | * | . | trans | -54.1 | 128.3 | 167.7 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | T495 | S493-T495 WeakPolarHBondContact O-CG2 3.46Å; S493-T495 PolarHBondContact O-N 2.87Å | ||
| 494 | L | 91.2 | Very high | 89.5 | Confident | 7 Ų | 7 | 27.8 Ų | 27.8 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -51.1 | 131.1 | 174.7 | -178.5 | 63.7 | 0 | 0 | 0 | 111 | L468 T492 Q498 I499 A526 L530 | L468-L494 HydrophobicContact CD2-CD1 3.99Å; L468-L494 HydrophobicContact CD2-CD2 3.86Å; L468-L494 HydrophobicContact CD2-CG 4.48Å; T492-L494 PolarHBondContact O-N 2.87Å; L494-Q498 HydrophobicContact CD1-CB 3.77Å; L494-I499 HydrophobicContact CD1-CG1 4.19Å; L494-I499 HydrophobicContact CD2-CD1 4Å; L494-I499 HydrophobicContact CD2-CG1 3.86Å; L494-I499 HydrophobicContact CG-CD1 4.06Å; L494-I499 HydrophobicContact CG-CG1 3.84Å; L494-A526 HydrophobicContact CD2-CB 4.46Å; L494-L530 HydrophobicContact CD2-CD1 3.8Å; L494-L530 HydrophobicContact CD2-CD2 4.06Å; L494-L530 HydrophobicContact CD2-CG 3.8Å | ||
| 495 | T | 91 | Very high | 89.1 | Confident | 21 Ų | 21 | 23.5 Ų | 23.5 | 13% | 0.129 | 14% | 0.14 | C | C | . | . | trans | -104.5 | 161.2 | -174.8 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | R447 S493 Q497 Q498 I499 | R447-T495 HydrophobicContact CB-CG2 3.93Å; R447-T495 HydrophobicContact CG-CG2 4.24Å; R447-T495 PolarHBondContact O-OG1 3.24Å; S493-T495 WeakPolarHBondContact O-CG2 3.46Å; S493-T495 PolarHBondContact O-N 2.87Å; T495-Q497 PolarHBondContact O-N 3.39Å; T495-Q498 VanDerWaalsContact N-OE1 3.13Å; T495-Q498 PolarHBondContact O-N 2.85Å; T495-Q498 WeakPolarHBondContact OG1-CB 3.35Å; T495-Q498 VanDerWaalsContact OG1-CG 3.27Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-N 3.39Å; T495-Q498 PolarHBondContact OG1-OE1 3.49Å; T495-I499 VanDerWaalsContact O-CG1 3.28Å; T495-I499 WeakPolarHBondContact O-CG1 3.26Å; T495-I499 PolarHBondContact O-N 3.28Å | ||
| 496 | E | 90.2 | Very high | 88.9 | Confident | 86 Ų | 86 | 23.4 Ų | 23.4 | 40% | 0.402 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.2 | -34.4 | 173 | -66.5 | -165 | -118.3 | 0 | 0 | 112.4 | K244 I499 A500 H533 | K244-E496 IonicContact NZ-OE2 3.28Å; K244-E496 PolarHBondContact NZ-OE2 2.85Å; E496-I499 PolarHBondContact O-N 2.92Å; E496-A500 WeakPolarHBondContact O-CB 3.31Å; E496-A500 PolarHBondContact O-N 3.28Å; E496-H533 VanDerWaalsContact CD-CE1 3.48Å; E496-H533 HydrophobicContact CG-CB 4.33Å; E496-H533 IonicContact OE1-CE1 3.84Å; E496-H533 PolarHBondContact OE1-CE1 3.22Å; E496-H533 IonicContact OE1-ND1 3.84Å; E496-H533 PolarHBondContact OE1-ND1 2.9Å; E496-H533 IonicContact OE2-CE1 3.28Å; E496-H533 IonicContact OE2-CG 3.87Å; E496-H533 IonicContact OE2-ND1 3.05Å; E496-H533 PolarHBondContact OE2-ND1 3.38Å |
| 497 | Q | 87.5 | Confident | 88.6 | Confident | 56 Ų | 56 | 24.6 Ų | 24.6 | 26% | 0.262 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -70.3 | -38.5 | 178 | -64.8 | 81 | 9 | 0 | 0 | 112.8 | E242 R447 Q448 T495 T501 | E242-Q497 VanDerWaalsContact OE1-CG 3.3Å; E242-Q497 WeakPolarHBondContact OE1-CG 3.37Å; R447-Q497 WeakPolarHBondContact O-CB 3.21Å; Q448-Q497 HydrophobicContact CG-CB 4.02Å; Q448-Q497 HydrophobicContact CG-CG 4.24Å; T495-Q497 PolarHBondContact O-N 3.39Å; Q497-T501 WeakPolarHBondContact O-CB 3.46Å; Q497-T501 PolarHBondContact O-N 2.84Å; Q497-T501 PolarHBondContact O-OG1 3.35Å |
| 498 | Q | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 172.4 | -74.3 | 170 | -24.4 | 0 | 0 | 110.6 | K446 V449 L450 L494 T495 T501 I502 | K446-Q498 PolarHBondContact O-NE2 2.75Å; V449-Q498 PolarHBondContact O-NE2 2.89Å; L450-Q498 HydrophobicContact CD1-CB 4.22Å; L450-Q498 HydrophobicContact CD1-CG 4.49Å; L450-Q498 HydrophobicContact CD2-CB 4.03Å; L450-Q498 HydrophobicContact CD2-CG 3.83Å; L450-Q498 HydrophobicContact CG-CB 4.15Å; L450-Q498 HydrophobicContact CG-CG 3.91Å; L494-Q498 HydrophobicContact CD1-CB 3.77Å; T495-Q498 VanDerWaalsContact N-OE1 3.13Å; T495-Q498 PolarHBondContact O-N 2.85Å; T495-Q498 WeakPolarHBondContact OG1-CB 3.35Å; T495-Q498 VanDerWaalsContact OG1-CG 3.27Å; T495-Q498 WeakPolarHBondContact OG1-CG 3.4Å; T495-Q498 PolarHBondContact OG1-N 3.39Å; T495-Q498 PolarHBondContact OG1-OE1 3.49Å; Q498-T501 WeakPolarHBondContact O-CB 3.39Å; Q498-T501 PolarHBondContact O-N 3.48Å; Q498-I502 WeakPolarHBondContact O-CG1 3.24Å; Q498-I502 PolarHBondContact O-N 2.81Å |
| 499 | I | 92.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 175.5 | -69.5 | 169.5 | 0 | 0 | 0 | 111.1 | L494 T495 E496 T501 I502 E503 I529 L530 L536 | L494-I499 HydrophobicContact CD1-CG1 4.19Å; L494-I499 HydrophobicContact CD2-CD1 4Å; L494-I499 HydrophobicContact CD2-CG1 3.86Å; L494-I499 HydrophobicContact CG-CD1 4.06Å; L494-I499 HydrophobicContact CG-CG1 3.84Å; T495-I499 VanDerWaalsContact O-CG1 3.28Å; T495-I499 WeakPolarHBondContact O-CG1 3.26Å; T495-I499 PolarHBondContact O-N 3.28Å; E496-I499 PolarHBondContact O-N 2.92Å; I499-T501 PolarHBondContact O-N 2.87Å; I499-I502 PolarHBondContact O-N 2.99Å; I499-E503 HydrophobicContact CG2-CG 4.39Å; I499-E503 PolarHBondContact O-N 3Å; I499-I529 HydrophobicContact CD1-CG2 3.6Å; I499-L530 HydrophobicContact CD1-CD2 3.87Å; I499-L530 HydrophobicContact CD1-CG 4.21Å; I499-L530 HydrophobicContact CG1-CD2 3.74Å; I499-L530 HydrophobicContact CG2-CD2 4.22Å; I499-L536 HydrophobicContact CG2-CD1 4.46Å |
| 500 | A | 88.4 | Confident | 88.9 | Confident | 16 Ų | 16 | 27.8 Ų | 27.8 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E496 I502 E503 R504 | E496-A500 WeakPolarHBondContact O-CB 3.31Å; E496-A500 PolarHBondContact O-N 3.28Å; A500-I502 VanDerWaalsContact C-N 3.35Å; A500-E503 PolarHBondContact O-N 3.29Å; A500-R504 WeakPolarHBondContact O-CG 3.49Å; A500-R504 PolarHBondContact O-N 3.2Å; A500-R504 VanDerWaalsContact O-N 3.13Å |
| 501 | T | 89 | Confident | 89.4 | Confident | 24 Ų | 24 | 27.2 Ų | 27.2 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 174.5 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | L450 F453 Q497 Q498 I499 | L450-T501 HydrophobicContact CD1-CG2 4.47Å; F453-T501 HydrophobicContact CD1-CG2 4.25Å; F453-T501 HydrophobicContact CD2-CG2 4.16Å; F453-T501 HydrophobicContact CE1-CG2 3.78Å; F453-T501 HydrophobicContact CE2-CG2 3.67Å; F453-T501 HydrophobicContact CG-CG2 4.42Å; F453-T501 HydrophobicContact CZ-CG2 3.46Å; F453-T501 VanDerWaalsContact CZ-CG2 3.46Å; Q497-T501 WeakPolarHBondContact O-CB 3.46Å; Q497-T501 PolarHBondContact O-N 2.84Å; Q497-T501 PolarHBondContact O-OG1 3.35Å; Q498-T501 WeakPolarHBondContact O-CB 3.39Å; Q498-T501 PolarHBondContact O-N 3.48Å; I499-T501 PolarHBondContact O-N 2.87Å |
| 502 | I | 93 | Very high | 90.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73.1 | -45 | 174.7 | -63 | 162.6 | 0 | 0 | 0 | 111.1 | L450 L468 L487 Q498 I499 A500 R504 V505 T506 V509 L536 | L450-I502 HydrophobicContact CD1-CD1 3.78Å; L450-I502 HydrophobicContact CD1-CG1 3.58Å; L468-I502 HydrophobicContact CD1-CD1 4.46Å; L487-I502 HydrophobicContact CD1-CG1 4.09Å; Q498-I502 WeakPolarHBondContact O-CG1 3.24Å; Q498-I502 PolarHBondContact O-N 2.81Å; I499-I502 PolarHBondContact O-N 2.99Å; A500-I502 VanDerWaalsContact C-N 3.35Å; I502-R504 PolarHBondContact O-N 2.81Å; I502-V505 VanDerWaalsContact O-CG2 3.27Å; I502-V505 WeakPolarHBondContact O-CG2 3.29Å; I502-V505 PolarHBondContact O-N 2.91Å; I502-T506 HydrophobicContact CG2-CG2 3.61Å; I502-T506 PolarHBondContact O-N 3.19Å; I502-V509 HydrophobicContact CG2-CG2 3.53Å; I502-L536 HydrophobicContact CG2-CD1 4.29Å |
| 503 | E | 91.5 | Very high | 91.8 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 12% | 0.117 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -27.6 | 178.2 | -73.3 | -167.7 | 130.9 | 0 | 0 | 113.5 | L237 I499 A500 V505 S534 R535 L536 | L237-E503 HydrophobicContact CD1-CB 3.72Å; I499-E503 HydrophobicContact CG2-CG 4.39Å; I499-E503 PolarHBondContact O-N 3Å; A500-E503 PolarHBondContact O-N 3.29Å; E503-V505 VanDerWaalsContact C-N 3.26Å; E503-V505 PolarHBondContact O-N 3.07Å; E503-S534 VanDerWaalsContact OE1-CA 3.29Å; E503-S534 WeakPolarHBondContact OE1-CA 3.44Å; E503-S534 WeakPolarHBondContact OE1-CB 3.32Å; E503-R535 PolarHBondContact OE1-N 3.05Å; E503-L536 HydrophobicContact CG-CD1 3.92Å; E503-L536 HydrophobicContact CG-CD2 3.89Å; E503-L536 HydrophobicContact CG-CG 3.76Å |
| 504 | R | 87.3 | Confident | 92.5 | Very high | 49 Ų | 49 | 20.7 Ų | 20.7 | 19% | 0.185 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -24.7 | 173.3 | -78.5 | 167.3 | 177.1 | 166.8 | -1.5 | 113.5 | V225 Q226 L237 C238 P239 H241 A500 I502 | V225-R504 CarbonylContact C-O 3.46Å; Q226-R504 PolarHBondContact N-O 3.31Å; L237-R504 HydrophobicContact CB-CG 4.06Å; C238-R504 PolarHBondContact O-NE 3.49Å; C238-R504 VanDerWaalsContact O-NE 3.17Å; C238-R504 PolarHBondContact O-NH2 3Å; P239-R504 PolarHBondContact O-NH2 3.21Å; P239-R504 VanDerWaalsContact O-NH2 3.15Å; H241-R504 PolarHBondContact O-NH2 3.48Å; A500-R504 WeakPolarHBondContact O-CG 3.49Å; A500-R504 PolarHBondContact O-N 3.2Å; A500-R504 VanDerWaalsContact O-N 3.13Å; I502-R504 PolarHBondContact O-N 2.81Å |
| 505 | V | 88.2 | Confident | 92.6 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -24.7 | -172.4 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | F453 R457 I460 R461 I502 E503 | F453-V505 HydrophobicContact CE2-CG1 4.2Å; F453-V505 HydrophobicContact CE2-CG2 3.86Å; F453-V505 HydrophobicContact CZ-CG1 3.85Å; F453-V505 HydrophobicContact CZ-CG2 4.35Å; R457-V505 HydrophobicContact CG-CG1 3.84Å; I460-V505 HydrophobicContact CG2-CB 4.35Å; I460-V505 HydrophobicContact CG2-CG2 3.8Å; R461-V505 HydrophobicContact CG-CB 4.22Å; I502-V505 VanDerWaalsContact O-CG2 3.27Å; I502-V505 WeakPolarHBondContact O-CG2 3.29Å; I502-V505 PolarHBondContact O-N 2.91Å; E503-V505 VanDerWaalsContact C-N 3.26Å; E503-V505 PolarHBondContact O-N 3.07Å |
| 506 | T | 92.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -146.4 | 157.9 | 179 | -176.2 | 0 | 0 | 0 | 0 | 113.2 | I460 G464 E465 A466 I502 Q508 L536 | I460-T506 HydrophobicContact CG2-CG2 3.81Å; G464-T506 PolarHBondContact O-OG1 3.3Å; E465-T506 WeakPolarHBondContact CA-OG1 3.48Å; E465-T506 PolarHBondContact N-OG1 3.19Å; A466-T506 HydrophobicContact CB-CG2 4.03Å; I502-T506 HydrophobicContact CG2-CG2 3.61Å; I502-T506 PolarHBondContact O-N 3.19Å; T506-Q508 WeakPolarHBondContact CG2-O 3.46Å; T506-Q508 PolarHBondContact OG1-N 3.16Å; T506-Q508 VanDerWaalsContact OG1-N 3.09Å; T506-Q508 PolarHBondContact OG1-O 2.68Å; T506-L536 WeakPolarHBondContact O-CD2 3.31Å | ||
| 507 | G | 90.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 21 Ų | 21 | 26% | 0.258 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -100.2 | 1.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N537 | G507-N537 PolarHBondContact O-N 3.49Š|
| 508 | Q | 95.4 | Very high | 93.2 | Very high | 68 Ų | 68 | 22.5 Ų | 22.5 | 32% | 0.318 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.2 | -171.6 | 178.7 | 164.6 | -46.9 | 0 | 0 | 112 | E465 A466 T506 N537 | E465-Q508 WeakPolarHBondContact CA-O 3.45Å; E465-Q508 HydrophobicContact CB-CB 3.96Å; E465-Q508 HydrophobicContact CB-CG 3.83Å; E465-Q508 PolarHBondContact OE2-NE2 2.93Å; A466-Q508 PolarHBondContact N-O 3.37Å; T506-Q508 WeakPolarHBondContact CG2-O 3.46Å; T506-Q508 PolarHBondContact OG1-N 3.16Å; T506-Q508 VanDerWaalsContact OG1-N 3.09Å; T506-Q508 PolarHBondContact OG1-O 2.68Å; Q508-N537 WeakPolarHBondContact CA-O 3.48Å; Q508-N537 HydrophobicContact CB-CB 4.39Å; Q508-N537 HydrophobicContact CG-CB 4.47Å |
| 509 | V | 97.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.5 | 178.7 | 177.1 | 0 | 0 | 0 | 0 | 111 | A466 L468 I502 I511 L536 N537 L538 S539 | A466-V509 WeakPolarHBondContact O-CA 3.49Å; L468-V509 HydrophobicContact CB-CG1 4.07Å; I502-V509 HydrophobicContact CG2-CG2 3.53Å; V509-I511 HydrophobicContact CG1-CG1 4.36Å; V509-L536 HydrophobicContact CG2-CD1 3.83Å; V509-L536 HydrophobicContact CG2-CD2 4.22Å; V509-L536 HydrophobicContact CG2-CG 4.44Å; V509-N537 PolarHBondContact N-O 3.26Å; V509-L538 HydrophobicContact CB-CD2 4.28Å; V509-L538 WeakPolarHBondContact O-CA 3.45Å; V509-S539 PolarHBondContact O-N 2.8Å |
| 510 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.5 | 167.5 | -166.2 | 0 | 0 | 0 | 0 | 108 | A466 I467 L468 S539 V541 R569 | A466-V510 PolarHBondContact O-N 3.48Å; I467-V510 CarbonylContact C-O 3.54Å; I467-V510 WeakPolarHBondContact CA-O 3.28Å; I467-V510 HydrophobicContact CG1-CB 4.12Å; I467-V510 HydrophobicContact CG1-CG2 4.26Å; I467-V510 HydrophobicContact CG2-CB 4.35Å; L468-V510 PolarHBondContact N-O 2.95Å; V510-S539 CarbonylContact C-O 3.58Å; V510-S539 WeakPolarHBondContact CA-O 3.33Å; V510-V541 HydrophobicContact CG1-CG2 3.71Å; V510-R569 HydrophobicContact CG1-CG 4.29Å |
| 511 | I | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122 | 173.9 | -50.9 | 174.6 | 0 | 0 | 0 | 108.6 | V509 Y513 T523 A526 L527 L530 S539 T540 V541 | V509-I511 HydrophobicContact CG1-CG1 4.36Å; I511-Y513 HydrophobicContact CG2-CD1 3.83Å; I511-Y513 HydrophobicContact CG2-CD2 4Å; I511-Y513 HydrophobicContact CG2-CE1 3.93Å; I511-Y513 HydrophobicContact CG2-CE2 4.08Å; I511-Y513 HydrophobicContact CG2-CG 3.89Å; I511-T523 HydrophobicContact CG2-CG2 4.13Å; I511-A526 HydrophobicContact CD1-CB 4.01Å; I511-L527 HydrophobicContact CD1-CD2 3.69Å; I511-L527 HydrophobicContact CD1-CG 3.98Å; I511-L530 HydrophobicContact CD1-CD1 3.71Å; I511-L530 HydrophobicContact CG1-CD1 4.39Å; I511-S539 PolarHBondContact N-O 3.1Å; I511-T540 HydrophobicContact CB-CG2 4.26Å; I511-T540 CarbonylContact O-C 3.55Å; I511-T540 VanDerWaalsContact O-CA 3.24Å; I511-T540 WeakPolarHBondContact O-CA 3.49Å; I511-V541 PolarHBondContact O-N 3.37Å |
| 512 | A | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -131.3 | 64.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I467 L468 F469 V541 L565 | I467-A512 HydrophobicContact CG2-CB 3.79Å; L468-A512 PolarHBondContact O-N 3.18Å; F469-A512 HydrophobicContact CD1-CB 4.02Å; F469-A512 WeakPolarHBondContact CD1-O 3.41Å; F469-A512 HydrophobicContact CE1-CB 3.75Å; F469-A512 HydrophobicContact CZ-CB 4.47Å; A512-V541 HydrophobicContact CB-CB 4.28Å; A512-L565 HydrophobicContact CB-CD2 3.74Å | ||
| 513 | Y | 96.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | trans | -83.4 | 169.8 | 173.7 | -63.1 | -11 | 0 | 0 | 0 | 111.2 | L468 F469 E470 I511 G515 A522 A526 | L468-Y513 HydrophobicContact CD2-CE1 4.33Å; L468-Y513 WeakPolarHBondContact CD2-OH 3.43Å; L468-Y513 HydrophobicContact CG-CE1 4.01Å; L468-Y513 WeakPolarHBondContact O-CD1 3.48Å; L468-Y513 WeakPolarHBondContact O-CE1 3.4Å; F469-Y513 VanDerWaalsContact C-CE1 3.41Å; F469-Y513 WeakPolarHBondContact O-CE1 3.36Å; E470-Y513 HydrophobicContact CB-CD1 4.03Å; E470-Y513 HydrophobicContact CB-CE1 4.42Å; E470-Y513 HydrophobicContact CB-CG 4.22Å; I511-Y513 HydrophobicContact CG2-CD1 3.83Å; I511-Y513 HydrophobicContact CG2-CD2 4Å; I511-Y513 HydrophobicContact CG2-CE1 3.93Å; I511-Y513 HydrophobicContact CG2-CE2 4.08Å; I511-Y513 HydrophobicContact CG2-CG 3.89Å; Y513-G515 PolarHBondContact O-N 3.23Å; Y513-A522 HydrophobicContact CD2-CB 3.66Å; Y513-A522 HydrophobicContact CE2-CB 4Å; Y513-A526 HydrophobicContact CE2-CB 3.9Å | ||
| 514 | D | 95.1 | Very high | 94 | Very high | 37 Ų | 37 | 23.9 Ų | 23.9 | 20% | 0.198 | 14% | 0.136 | C | C | . | . | trans | -47.7 | 135.2 | -179.2 | -52.5 | 17.2 | 0 | 0 | 0 | 111.5 | D516 G519 D548 | D514-D516 PolarHBondContact O-N 3.08Å; D514-D516 VanDerWaalsContact O-N 3.14Å; D514-G519 CarbonylContact O-C 3.59Å; D514-G519 WeakPolarHBondContact O-CA 3.43Å; D514-D548 HydrophobicContact CB-CB 4.28Å | ||
| 515 | G | 94.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -70.5 | -5.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y513 Q520 L547 | Y513-G515 PolarHBondContact O-N 3.23Å; G515-Q520 PolarHBondContact O-NE2 2.79Å; G515-L547 PolarHBondContact N-O 2.93Å |
| 516 | D | 94.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 28 Ų | 28 | 27% | 0.267 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -74.6 | -175.6 | -177.5 | 87.4 | -14.8 | 0 | 0 | 0 | 113 | D514 P518 G519 Q520 K546 | D514-D516 PolarHBondContact O-N 3.08Å; D514-D516 VanDerWaalsContact O-N 3.14Å; D516-P518 WeakPolarHBondContact OD1-CD 3.47Å; D516-P518 WeakPolarHBondContact OD2-CD 3.42Å; D516-G519 PolarHBondContact OD1-N 2.75Å; D516-Q520 WeakPolarHBondContact O-CB 3.45Å; D516-Q520 VanDerWaalsContact O-CG 3.25Å; D516-Q520 WeakPolarHBondContact O-CG 3.49Å; D516-Q520 PolarHBondContact O-N 2.84Å; D516-Q520 VanDerWaalsContact O-N 3.17Å; D516-K546 HydrophobicContact CB-CB 4.15Å |
| 517 | D | 93.7 | Very high | 94.7 | Very high | 70 Ų | 70 | 27.9 Ų | 27.9 | 37% | 0.374 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -73.4 | -45.3 | -177.4 | -63 | -58.2 | 0 | 0 | 0 | 112.7 | A521 K546 K582 | D517-A521 WeakPolarHBondContact O-CB 3.46Å; D517-A521 PolarHBondContact O-N 2.74Å; D517-A521 VanDerWaalsContact O-N 3.07Å; D517-K546 IonicContact OD1-NZ 2.7Å; D517-K546 IonicContact OD2-NZ 3.64Å; D517-K546 PolarHBondContact OD2-NZ 2.77Å; D517-K582 IonicContact OD1-NZ 2.99Å; D517-K582 PolarHBondContact OD1-NZ 3.13Å |
| 518 | P | 92.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 29.9 Ų | 29.9 | 56% | 0.558 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -51.4 | -50.5 | 165.8 | -30.3 | 34 | 0 | 0 | 0 | 116 | D516 A521 A522 | D516-P518 WeakPolarHBondContact OD1-CD 3.47Å; D516-P518 WeakPolarHBondContact OD2-CD 3.42Å; P518-A521 CarbonylContact O-C 3.6Å; P518-A521 WeakPolarHBondContact O-CA 3.28Å; P518-A521 WeakPolarHBondContact O-CB 3.31Å; P518-A521 PolarHBondContact O-N 3.41Å; P518-A521 VanDerWaalsContact O-N 3.13Å; P518-A522 PolarHBondContact O-N 3.42Å |
| 519 | G | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D514 D516 A522 T523 | D514-G519 CarbonylContact O-C 3.59Å; D514-G519 WeakPolarHBondContact O-CA 3.43Å; D516-G519 PolarHBondContact OD1-N 2.75Å; G519-A522 CarbonylContact O-C 3.47Å; G519-A522 WeakPolarHBondContact O-CB 3.45Å; G519-A522 PolarHBondContact O-N 3.12Å; G519-T523 PolarHBondContact O-N 3.46Å; G519-T523 PolarHBondContact O-OG1 3.03Å |
| 520 | Q | 94.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.1 | -36.8 | 168.8 | -71.5 | -176.5 | 50.5 | 0 | 0 | 112.3 | G515 D516 A522 T523 E524 F575 Y579 | G515-Q520 PolarHBondContact O-NE2 2.79Å; D516-Q520 WeakPolarHBondContact O-CB 3.45Å; D516-Q520 VanDerWaalsContact O-CG 3.25Å; D516-Q520 WeakPolarHBondContact O-CG 3.49Å; D516-Q520 PolarHBondContact O-N 2.84Å; D516-Q520 VanDerWaalsContact O-N 3.17Å; Q520-A522 VanDerWaalsContact C-N 3.32Å; Q520-T523 WeakPolarHBondContact O-CB 3.36Å; Q520-T523 PolarHBondContact O-N 3.49Å; Q520-E524 PolarHBondContact O-N 3.13Å; Q520-F575 HydrophobicContact CB-CE2 4.41Å; Q520-F575 HydrophobicContact CB-CZ 4.19Å; Q520-F575 HydrophobicContact CG-CE2 4.22Å; Q520-F575 WeakPolarHBondContact O-CZ 3.47Å; Q520-Y579 HydrophobicContact CB-CD2 4.04Å; Q520-Y579 HydrophobicContact CB-CE2 4.14Å |
| 521 | A | 94 | Very high | 93.8 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 23% | 0.231 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.7 | -26.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D517 P518 R525 | D517-A521 WeakPolarHBondContact O-CB 3.46Å; D517-A521 PolarHBondContact O-N 2.74Å; D517-A521 VanDerWaalsContact O-N 3.07Å; P518-A521 CarbonylContact O-C 3.6Å; P518-A521 WeakPolarHBondContact O-CA 3.28Å; P518-A521 WeakPolarHBondContact O-CB 3.31Å; P518-A521 PolarHBondContact O-N 3.41Å; P518-A521 VanDerWaalsContact O-N 3.13Å; A521-R525 WeakPolarHBondContact O-CG 3.45Å; A521-R525 PolarHBondContact O-N 2.58Å; A521-R525 PolarHBondContact O-NE 3.37Å |
| 522 | A | 93.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y513 P518 G519 Q520 R525 A526 | Y513-A522 HydrophobicContact CD2-CB 3.66Å; Y513-A522 HydrophobicContact CE2-CB 4Å; P518-A522 PolarHBondContact O-N 3.42Å; G519-A522 CarbonylContact O-C 3.47Å; G519-A522 WeakPolarHBondContact O-CB 3.45Å; G519-A522 PolarHBondContact O-N 3.12Å; Q520-A522 VanDerWaalsContact C-N 3.32Å; A522-R525 PolarHBondContact O-N 3.22Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.02Å |
| 523 | T | 95.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | I511 G519 Q520 R525 A526 L527 T540 F575 | I511-T523 HydrophobicContact CG2-CG2 4.13Å; G519-T523 PolarHBondContact O-N 3.46Å; G519-T523 PolarHBondContact O-OG1 3.03Å; Q520-T523 WeakPolarHBondContact O-CB 3.36Å; Q520-T523 PolarHBondContact O-N 3.49Å; T523-R525 PolarHBondContact O-N 3.45Å; T523-A526 PolarHBondContact O-N 3.14Å; T523-L527 HydrophobicContact CG2-CD1 4.39Å; T523-L527 WeakPolarHBondContact O-CG 3.46Å; T523-L527 PolarHBondContact O-N 3.19Å; T523-T540 HydrophobicContact CG2-CG2 3.9Å; T523-F575 HydrophobicContact CG2-CD1 4.14Å; T523-F575 HydrophobicContact CG2-CD2 4.23Å; T523-F575 HydrophobicContact CG2-CE1 3.75Å; T523-F575 HydrophobicContact CG2-CE2 3.84Å; T523-F575 HydrophobicContact CG2-CG 4.37Å; T523-F575 HydrophobicContact CG2-CZ 3.6Å |
| 524 | E | 94.6 | Very high | 92 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 178.4 | -163 | -93.4 | -167.6 | 0 | 0 | 112.6 | Q520 T528 F575 Y579 R580 | Q520-E524 PolarHBondContact O-N 3.13Å; E524-T528 WeakPolarHBondContact O-CB 3.15Å; E524-T528 PolarHBondContact O-N 2.95Å; E524-T528 PolarHBondContact O-OG1 2.84Å; E524-F575 HydrophobicContact CB-CE1 4.14Å; E524-Y579 HydrophobicContact CB-CD1 4.33Å; E524-Y579 HydrophobicContact CB-CE1 3.97Å; E524-Y579 HydrophobicContact CG-CD1 4.02Å; E524-Y579 HydrophobicContact CG-CE1 3.78Å; E524-R580 IonicContact OE1-CZ 3.41Å; E524-R580 VanDerWaalsContact OE1-CZ 3.24Å; E524-R580 IonicContact OE1-NH1 2.89Å; E524-R580 PolarHBondContact OE1-NH1 3.42Å; E524-R580 IonicContact OE1-NH2 2.91Å; E524-R580 PolarHBondContact OE1-NH2 3.36Å |
| 525 | R | 93.5 | Very high | 91.5 | Very high | 135 Ų | 135 | 46.6 Ų | 46.6 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 172.9 | -72.5 | 178.9 | -67.2 | 153.1 | 0.3 | 111.8 | A521 A522 T523 T528 I529 | A521-R525 WeakPolarHBondContact O-CG 3.45Å; A521-R525 PolarHBondContact O-N 2.58Å; A521-R525 PolarHBondContact O-NE 3.37Å; A522-R525 PolarHBondContact O-N 3.22Å; T523-R525 PolarHBondContact O-N 3.45Å; R525-T528 PolarHBondContact O-N 3.41Å; R525-I529 WeakPolarHBondContact O-CG1 3.44Å; R525-I529 PolarHBondContact O-N 2.86Å |
| 526 | A | 93.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L494 I511 Y513 A522 T523 T528 I529 L530 | L494-A526 HydrophobicContact CD2-CB 4.46Å; I511-A526 HydrophobicContact CD1-CB 4.01Å; Y513-A526 HydrophobicContact CE2-CB 3.9Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 3.02Å; T523-A526 PolarHBondContact O-N 3.14Å; A526-T528 VanDerWaalsContact C-N 3.32Å; A526-T528 PolarHBondContact O-N 3.49Å; A526-I529 PolarHBondContact O-N 2.83Å; A526-L530 WeakPolarHBondContact O-CB 3.15Å; A526-L530 WeakPolarHBondContact O-CD1 3.4Å; A526-L530 WeakPolarHBondContact O-CG 3.42Å; A526-L530 PolarHBondContact O-N 3.45Å |
| 527 | L | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56 | -44.9 | 172.7 | -73.6 | 175.7 | 0 | 0 | 0 | 111.8 | I511 T523 I529 L530 D531 L538 T540 P572 F575 | I511-L527 HydrophobicContact CD1-CD2 3.69Å; I511-L527 HydrophobicContact CD1-CG 3.98Å; T523-L527 HydrophobicContact CG2-CD1 4.39Å; T523-L527 WeakPolarHBondContact O-CG 3.46Å; T523-L527 PolarHBondContact O-N 3.19Å; L527-I529 PolarHBondContact O-N 2.79Å; L527-L530 PolarHBondContact O-N 3.12Å; L527-D531 VanDerWaalsContact O-CB 3.29Å; L527-D531 WeakPolarHBondContact O-CB 3.32Å; L527-D531 VanDerWaalsContact O-CG 3.3Å; L527-D531 PolarHBondContact O-N 3.08Å; L527-L538 HydrophobicContact CD2-CB 4.25Å; L527-L538 HydrophobicContact CD2-CD1 3.91Å; L527-T540 HydrophobicContact CD1-CG2 4.03Å; L527-T540 HydrophobicContact CD2-CG2 4.01Å; L527-T540 HydrophobicContact CG-CG2 4.3Å; L527-P572 HydrophobicContact CD1-CB 4.05Å; L527-P572 HydrophobicContact CD2-CB 3.84Å; L527-P572 HydrophobicContact CD2-CG 3.86Å; L527-F575 HydrophobicContact CD1-CD1 3.62Å; L527-F575 HydrophobicContact CD1-CE1 4.2Å; L527-F575 HydrophobicContact CD1-CG 4.41Å |
| 528 | T | 91.7 | Very high | 91.4 | Very high | 67 Ų | 67 | 48 Ų | 48 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | -179.6 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | E524 R525 A526 A532 | E524-T528 WeakPolarHBondContact O-CB 3.15Å; E524-T528 PolarHBondContact O-N 2.95Å; E524-T528 PolarHBondContact O-OG1 2.84Å; R525-T528 PolarHBondContact O-N 3.41Å; A526-T528 VanDerWaalsContact C-N 3.32Å; A526-T528 PolarHBondContact O-N 3.49Å; T528-A532 WeakPolarHBondContact O-CB 3.44Å; T528-A532 PolarHBondContact O-N 3.28Å |
| 529 | I | 91.7 | Very high | 91.6 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.9 | -43.5 | 175.7 | -61.3 | 166.2 | 0 | 0 | 0 | 110.1 | I499 R525 A526 L527 A532 H533 | I499-I529 HydrophobicContact CD1-CG2 3.6Å; R525-I529 WeakPolarHBondContact O-CG1 3.44Å; R525-I529 PolarHBondContact O-N 2.86Å; A526-I529 PolarHBondContact O-N 2.83Å; L527-I529 PolarHBondContact O-N 2.79Å; I529-A532 PolarHBondContact O-N 3.46Å; I529-H533 WeakPolarHBondContact O-CB 3.23Å; I529-H533 PolarHBondContact O-CD2 2.98Å; I529-H533 VanDerWaalsContact O-CD2 3.25Å; I529-H533 PolarHBondContact O-N 3.39Å |
| 530 | L | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.2 | -43.3 | 179.2 | -74.2 | 158.9 | 0 | 0 | 0 | 112.4 | L494 I499 I511 A526 L527 A532 H533 S534 L536 L538 | L494-L530 HydrophobicContact CD2-CD1 3.8Å; L494-L530 HydrophobicContact CD2-CD2 4.06Å; L494-L530 HydrophobicContact CD2-CG 3.8Å; I499-L530 HydrophobicContact CD1-CD2 3.87Å; I499-L530 HydrophobicContact CD1-CG 4.21Å; I499-L530 HydrophobicContact CG1-CD2 3.74Å; I499-L530 HydrophobicContact CG2-CD2 4.22Å; I511-L530 HydrophobicContact CD1-CD1 3.71Å; I511-L530 HydrophobicContact CG1-CD1 4.39Å; A526-L530 WeakPolarHBondContact O-CB 3.15Å; A526-L530 WeakPolarHBondContact O-CD1 3.4Å; A526-L530 WeakPolarHBondContact O-CG 3.42Å; A526-L530 PolarHBondContact O-N 3.45Å; L527-L530 PolarHBondContact O-N 3.12Å; L530-A532 PolarHBondContact O-N 2.84Å; L530-H533 PolarHBondContact O-N 3.29Å; L530-S534 WeakPolarHBondContact O-CA 3.34Å; L530-S534 WeakPolarHBondContact O-CB 3.47Å; L530-S534 PolarHBondContact O-N 3.44Å; L530-S534 PolarHBondContact O-OG 2.97Å; L530-L536 HydrophobicContact CD2-CD1 3.75Å; L530-L538 HydrophobicContact CB-CD1 3.51Å; L530-L538 HydrophobicContact CB-CD2 4.04Å; L530-L538 HydrophobicContact CB-CG 4.4Å; L530-L538 HydrophobicContact CD1-CD1 4.36Å; L530-L538 HydrophobicContact CD1-CD2 3.95Å; L530-L538 HydrophobicContact CD2-CD2 4.31Å; L530-L538 HydrophobicContact CG-CD2 4.33Å |
| 531 | D | 87.5 | Confident | 91.9 | Very high | 84 Ų | 84 | 44 Ų | 44 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.9 | -32.4 | 174.8 | -80.9 | -14.7 | 0 | 0 | 0 | 112.2 | L527 K576 | L527-D531 VanDerWaalsContact O-CB 3.29Å; L527-D531 WeakPolarHBondContact O-CB 3.32Å; L527-D531 VanDerWaalsContact O-CG 3.3Å; L527-D531 PolarHBondContact O-N 3.08Å; D531-K576 IonicContact OD2-NZ 2.68Å |
| 532 | A | 83.8 | Confident | 92 | Very high | 75 Ų | 75 | 45 Ų | 45 | 62% | 0.62 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -92.1 | -29.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T528 I529 L530 | T528-A532 WeakPolarHBondContact O-CB 3.44Å; T528-A532 PolarHBondContact O-N 3.28Å; I529-A532 PolarHBondContact O-N 3.46Å; L530-A532 PolarHBondContact O-N 2.84Å |
| 533 | H | 83.1 | Confident | 92.1 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -117.8 | -10.4 | -169.8 | -63.6 | -98 | 0 | 0 | 0 | 115.1 | E496 I529 L530 | E496-H533 VanDerWaalsContact CD-CE1 3.48Å; E496-H533 HydrophobicContact CG-CB 4.33Å; E496-H533 IonicContact OE1-CE1 3.84Å; E496-H533 PolarHBondContact OE1-CE1 3.22Å; E496-H533 IonicContact OE1-ND1 3.84Å; E496-H533 PolarHBondContact OE1-ND1 2.9Å; E496-H533 IonicContact OE2-CE1 3.28Å; E496-H533 IonicContact OE2-CG 3.87Å; E496-H533 IonicContact OE2-ND1 3.05Å; E496-H533 PolarHBondContact OE2-ND1 3.38Å; I529-H533 WeakPolarHBondContact O-CB 3.23Å; I529-H533 PolarHBondContact O-CD2 2.98Å; I529-H533 VanDerWaalsContact O-CD2 3.25Å; I529-H533 PolarHBondContact O-N 3.39Å; L530-H533 PolarHBondContact O-N 3.29Å |
| 534 | S | 85.8 | Confident | 92 | Very high | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | trans | -123.5 | 171.4 | -176.5 | 84.8 | 0 | 0 | 0 | 0 | 113.8 | E503 L530 L536 | E503-S534 VanDerWaalsContact OE1-CA 3.29Å; E503-S534 WeakPolarHBondContact OE1-CA 3.44Å; E503-S534 WeakPolarHBondContact OE1-CB 3.32Å; L530-S534 WeakPolarHBondContact O-CA 3.34Å; L530-S534 WeakPolarHBondContact O-CB 3.47Å; L530-S534 PolarHBondContact O-N 3.44Å; L530-S534 PolarHBondContact O-OG 2.97Å; S534-L536 PolarHBondContact OG-N 2.99Å | ||
| 535 | R | 84.4 | Confident | 92 | Very high | 173 Ų | 173 | 50.6 Ų | 50.6 | 65% | 0.653 | 26% | 0.263 | S | S | * | . | trans | -114.6 | 17.8 | 169.2 | -53.9 | -179.8 | -170.9 | -167.4 | 1.7 | 112 | K244 E503 | K244-R535 VanDerWaalsContact O-CZ 3.3Å; K244-R535 PolarHBondContact O-NH2 3.29Å; E503-R535 PolarHBondContact OE1-N 3.05Å | ||
| 536 | L | 91.3 | Very high | 92 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -72.6 | 141 | -174.3 | -67.5 | 164.5 | 0 | 0 | 0 | 111 | I499 I502 E503 T506 V509 L530 S534 L538 | I499-L536 HydrophobicContact CG2-CD1 4.46Å; I502-L536 HydrophobicContact CG2-CD1 4.29Å; E503-L536 HydrophobicContact CG-CD1 3.92Å; E503-L536 HydrophobicContact CG-CD2 3.89Å; E503-L536 HydrophobicContact CG-CG 3.76Å; T506-L536 WeakPolarHBondContact O-CD2 3.31Å; V509-L536 HydrophobicContact CG2-CD1 3.83Å; V509-L536 HydrophobicContact CG2-CD2 4.22Å; V509-L536 HydrophobicContact CG2-CG 4.44Å; L530-L536 HydrophobicContact CD2-CD1 3.75Å; S534-L536 PolarHBondContact OG-N 2.99Å; L536-L538 HydrophobicContact CB-CD2 3.78Å; L536-L538 PolarHBondContact O-N 3.32Å | ||
| 537 | N | 93.1 | Very high | 92.1 | Very high | 111 Ų | 111 | 50.9 Ų | 50.9 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 114.7 | 165 | -69.3 | -31.4 | 0 | 0 | 0 | 108.1 | G507 Q508 V509 | G507-N537 PolarHBondContact O-N 3.49Å; Q508-N537 WeakPolarHBondContact CA-O 3.48Å; Q508-N537 HydrophobicContact CB-CB 4.39Å; Q508-N537 HydrophobicContact CG-CB 4.47Å; V509-N537 PolarHBondContact N-O 3.26Å |
| 538 | L | 95.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 140.9 | -174.6 | -54.8 | -178.1 | 0 | 0 | 0 | 111.6 | V509 L527 L530 L536 P572 | V509-L538 HydrophobicContact CB-CD2 4.28Å; V509-L538 WeakPolarHBondContact O-CA 3.45Å; L527-L538 HydrophobicContact CD2-CB 4.25Å; L527-L538 HydrophobicContact CD2-CD1 3.91Å; L530-L538 HydrophobicContact CB-CD1 3.51Å; L530-L538 HydrophobicContact CB-CD2 4.04Å; L530-L538 HydrophobicContact CB-CG 4.4Å; L530-L538 HydrophobicContact CD1-CD1 4.36Å; L530-L538 HydrophobicContact CD1-CD2 3.95Å; L530-L538 HydrophobicContact CD2-CD2 4.31Å; L530-L538 HydrophobicContact CG-CD2 4.33Å; L536-L538 HydrophobicContact CB-CD2 3.78Å; L536-L538 PolarHBondContact O-N 3.32Å; L538-P572 HydrophobicContact CB-CG 3.73Å; L538-P572 WeakPolarHBondContact O-CD 3.49Å |
| 539 | S | 96.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 167.3 | 163.2 | 59.4 | 0 | 0 | 0 | 0 | 109.4 | V509 V510 I511 Q570 | V509-S539 PolarHBondContact O-N 2.8Å; V510-S539 CarbonylContact C-O 3.58Å; V510-S539 WeakPolarHBondContact CA-O 3.33Å; I511-S539 PolarHBondContact N-O 3.1Å; S539-Q570 WeakPolarHBondContact CA-O 3.34Å |
| 540 | T | 97.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.9 | 175.6 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | I511 T523 L527 R569 Q570 F575 | I511-T540 HydrophobicContact CB-CG2 4.26Å; I511-T540 CarbonylContact O-C 3.55Å; I511-T540 VanDerWaalsContact O-CA 3.24Å; I511-T540 WeakPolarHBondContact O-CA 3.49Å; T523-T540 HydrophobicContact CG2-CG2 3.9Å; L527-T540 HydrophobicContact CD1-CG2 4.03Å; L527-T540 HydrophobicContact CD2-CG2 4.01Å; L527-T540 HydrophobicContact CG-CG2 4.3Å; T540-R569 CarbonylContact O-C 3.54Å; T540-R569 WeakPolarHBondContact O-CA 3.34Å; T540-Q570 PolarHBondContact N-O 2.97Å; T540-Q570 PolarHBondContact O-N 3.24Å; T540-Q570 WeakPolarHBondContact OG1-CG 3.43Å; T540-Q570 PolarHBondContact OG1-NE2 3.06Å; T540-F575 HydrophobicContact CG2-CB 4.31Å; T540-F575 HydrophobicContact CG2-CG 4.38Å; T540-F575 WeakPolarHBondContact OG1-CB 3.42Å |
| 541 | V | 97.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.8 | 165.8 | 175.7 | 0 | 0 | 0 | 0 | 106.5 | V510 I511 A512 L564 L565 R569 | V510-V541 HydrophobicContact CG1-CG2 3.71Å; I511-V541 PolarHBondContact O-N 3.37Å; A512-V541 HydrophobicContact CB-CB 4.28Å; V541-L564 HydrophobicContact CG1-CD1 3.88Å; V541-L564 HydrophobicContact CG1-CG 3.82Å; V541-L565 HydrophobicContact CG1-CD2 4.39Å; V541-R569 HydrophobicContact CG2-CG 3.84Å |
| 542 | T | 95.5 | Very high | 93.2 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | trans | -99.5 | 115 | 172.5 | -61 | 0 | 0 | 0 | 0 | 108.5 | Q570 | T542-Q570 PolarHBondContact OG1-NE2 3.28Š| ||
| 543 | V | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 22% | 0.22 | C | C | . | . | trans | -66.6 | 128.5 | 177.7 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | L547 P549 Y552 L564 | V543-L547 WeakPolarHBondContact CB-O 3.36Å; V543-L547 HydrophobicContact CG1-CB 4.06Å; V543-L547 VanDerWaalsContact CG1-O 3.27Å; V543-L547 WeakPolarHBondContact CG1-O 3.38Å; V543-P549 HydrophobicContact CG2-CG 4.07Å; V543-Y552 HydrophobicContact CG1-CD2 3.86Å; V543-Y552 HydrophobicContact CG1-CG 4.04Å; V543-L564 HydrophobicContact CG1-CD2 4.28Å | ||
| 544 | P | 93.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 34% | 0.344 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.4 | 164.8 | 178 | -26.2 | 35.9 | 0 | 0 | 0 | 114 | K546 L547 Y552 L564 | P544-K546 PolarHBondContact O-N 3.31Å; P544-L547 PolarHBondContact O-N 2.96Å; P544-L547 VanDerWaalsContact O-N 3.12Å; P544-Y552 HydrophobicContact CB-CE2 4.24Å; P544-Y552 HydrophobicContact CG-CE2 3.88Å; P544-L564 HydrophobicContact CG-CD1 4.4Å |
| 545 | E | 93.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | 57.4 | 14.1 | 171.3 | -63.2 | -176.7 | -64.4 | 0 | 0 | 117 | L547 K555 Y556 | E545-L547 VanDerWaalsContact C-N 3.27Å; E545-L547 HydrophobicContact CB-CD1 4.22Å; E545-L547 HydrophobicContact CB-CG 3.99Å; E545-K555 WeakPolarHBondContact OE1-CE 3.27Å; E545-K555 IonicContact OE1-NZ 2.7Å; E545-K555 PolarHBondContact OE1-NZ 3.34Å; E545-K555 IonicContact OE2-NZ 3.69Å; E545-K555 PolarHBondContact OE2-NZ 2.96Å; E545-Y556 WeakPolarHBondContact OE1-CE2 3.46Å; E545-Y556 PolarHBondContact OE1-OH 2.81Å |
| 546 | K | 94.3 | Very high | 95.4 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | 64.7 | 24.7 | -172.9 | -53.9 | -169.7 | 178.7 | -167.2 | 0 | 114.6 | D516 D517 P544 | D516-K546 HydrophobicContact CB-CB 4.15Å; D517-K546 IonicContact OD1-NZ 2.7Å; D517-K546 IonicContact OD2-NZ 3.64Å; D517-K546 PolarHBondContact OD2-NZ 2.77Å; P544-K546 PolarHBondContact O-N 3.31Å |
| 547 | L | 96.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -81.5 | 156.6 | 177.2 | -55.8 | 179 | 0 | 0 | 0 | 111.3 | G515 V543 P544 E545 E551 Y552 K555 Y556 | G515-L547 PolarHBondContact N-O 2.93Å; V543-L547 WeakPolarHBondContact CB-O 3.36Å; V543-L547 HydrophobicContact CG1-CB 4.06Å; V543-L547 VanDerWaalsContact CG1-O 3.27Å; V543-L547 WeakPolarHBondContact CG1-O 3.38Å; P544-L547 PolarHBondContact O-N 2.96Å; P544-L547 VanDerWaalsContact O-N 3.12Å; E545-L547 VanDerWaalsContact C-N 3.27Å; E545-L547 HydrophobicContact CB-CD1 4.22Å; E545-L547 HydrophobicContact CB-CG 3.99Å; L547-E551 HydrophobicContact CB-CB 3.91Å; L547-E551 HydrophobicContact CD2-CB 4.14Å; L547-E551 HydrophobicContact CG-CB 4.43Å; L547-Y552 HydrophobicContact CD1-CD2 4.27Å; L547-K555 HydrophobicContact CD1-CD 3.89Å; L547-Y556 HydrophobicContact CD1-CE2 4.47Å | ||
| 548 | D | 95.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 48.3 Ų | 48.3 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | trans | -81.4 | 165.6 | 158.1 | 71.2 | 37.6 | 0 | 0 | 0 | 110.7 | D514 D550 E551 Y552 | D514-D548 HydrophobicContact CB-CB 4.28Å; D548-D550 VanDerWaalsContact C-N 3.31Å; D548-D550 PolarHBondContact O-N 2.93Å; D548-D550 WeakPolarHBondContact OD1-CA 3.22Å; D548-D550 WeakPolarHBondContact OD1-CB 3.38Å; D548-D550 PolarHBondContact OD1-N 2.85Å; D548-E551 PolarHBondContact O-N 2.88Å; D548-E551 WeakPolarHBondContact OD1-CB 3.24Å; D548-E551 WeakPolarHBondContact OD1-CG 3.5Å; D548-E551 PolarHBondContact OD1-N 3.19Å; D548-Y552 WeakPolarHBondContact O-CB 3.16Å; D548-Y552 PolarHBondContact O-N 3.19Å | ||
| 549 | P | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -29.5 | 177.4 | -28.7 | 37.3 | 0 | 0 | 0 | 115.8 | F469 D474 V543 L553 L561 | F469-P549 HydrophobicContact CD1-CB 4.45Å; F469-P549 HydrophobicContact CD1-CG 3.91Å; F469-P549 HydrophobicContact CE1-CB 4.19Å; F469-P549 HydrophobicContact CE1-CG 3.93Å; D474-P549 HydrophobicContact CB-CB 3.93Å; D474-P549 HydrophobicContact CB-CG 3.97Å; D474-P549 WeakPolarHBondContact OD1-CD 3.26Å; V543-P549 HydrophobicContact CG2-CG 4.07Å; P549-L553 WeakPolarHBondContact O-CB 3.47Å; P549-L553 PolarHBondContact O-N 2.98Å; P549-L561 HydrophobicContact CB-CD1 4.29Å |
| 550 | D | 95.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.032 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 172.7 | 163.9 | 42.8 | 0 | 0 | 0 | 111.1 | R345 M473 A477 D548 L553 R554 | R345-D550 IonicContact NH1-OD2 2.78Å; M473-D550 HydrophobicContact CB-CB 4.26Å; A477-D550 HydrophobicContact CB-CB 4.35Å; D548-D550 VanDerWaalsContact C-N 3.31Å; D548-D550 PolarHBondContact O-N 2.93Å; D548-D550 WeakPolarHBondContact OD1-CA 3.22Å; D548-D550 WeakPolarHBondContact OD1-CB 3.38Å; D548-D550 PolarHBondContact OD1-N 2.85Å; D550-L553 PolarHBondContact O-N 2.99Å; D550-R554 WeakPolarHBondContact O-CB 3.38Å; D550-R554 WeakPolarHBondContact O-CG 3.42Å; D550-R554 PolarHBondContact O-N 2.65Å; D550-R554 PolarHBondContact O-NE 2.72Å; D550-R554 IonicContact OD1-CZ 2.68Å; D550-R554 IonicContact OD1-NE 3.95Å; D550-R554 PolarHBondContact OD1-NE 3.11Å; D550-R554 IonicContact OD1-NH2 3.89Å; D550-R554 IonicContact OD2-CZ 3Å; D550-R554 IonicContact OD2-NE 3.76Å; D550-R554 PolarHBondContact OD2-NE 3.12Å; D550-R554 IonicContact OD2-NH2 2.89Å; D550-R554 PolarHBondContact OD2-NH2 3.23Å |
| 551 | E | 96.3 | Very high | 95.8 | Very high | 77 Ų | 77 | 55 Ų | 55 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 173.6 | -74 | -175 | 161.8 | 0 | 0 | 112.4 | L547 D548 R554 K555 | L547-E551 HydrophobicContact CB-CB 3.91Å; L547-E551 HydrophobicContact CD2-CB 4.14Å; L547-E551 HydrophobicContact CG-CB 4.43Å; D548-E551 PolarHBondContact O-N 2.88Å; D548-E551 WeakPolarHBondContact OD1-CB 3.24Å; D548-E551 WeakPolarHBondContact OD1-CG 3.5Å; D548-E551 PolarHBondContact OD1-N 3.19Å; E551-R554 PolarHBondContact O-N 3.12Å; E551-K555 VanDerWaalsContact O-CB 3.31Å; E551-K555 WeakPolarHBondContact O-CB 3.06Å; E551-K555 PolarHBondContact O-N 3Å; E551-K555 VanDerWaalsContact O-N 3.08Å |
| 552 | Y | 97.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -45 | 175.1 | -167.7 | -89.9 | 0 | 0 | 0 | 111.4 | V543 P544 L547 D548 K555 Y556 E560 L561 L564 | V543-Y552 HydrophobicContact CG1-CD2 3.86Å; V543-Y552 HydrophobicContact CG1-CG 4.04Å; P544-Y552 HydrophobicContact CB-CE2 4.24Å; P544-Y552 HydrophobicContact CG-CE2 3.88Å; L547-Y552 HydrophobicContact CD1-CD2 4.27Å; D548-Y552 WeakPolarHBondContact O-CB 3.16Å; D548-Y552 PolarHBondContact O-N 3.19Å; Y552-K555 PolarHBondContact O-N 2.83Å; Y552-Y556 HydrophobicContact CD1-CD2 4.39Å; Y552-Y556 AromaticContact CD2-CD2 3.65Å; Y552-Y556 HydrophobicContact CD2-CD2 3.65Å; Y552-Y556 HydrophobicContact CD2-CE2 4.06Å; Y552-Y556 HydrophobicContact CE1-CD2 4.21Å; Y552-Y556 HydrophobicContact CE1-CG 4.49Å; Y552-Y556 AromaticContact CE2-CD2 3.41Å; Y552-Y556 HydrophobicContact CE2-CD2 3.41Å; Y552-Y556 VanDerWaalsContact CE2-CD2 3.41Å; Y552-Y556 AromaticContact CE2-CE2 3.75Å; Y552-Y556 HydrophobicContact CE2-CE2 3.75Å; Y552-Y556 HydrophobicContact CE2-CG 4.28Å; Y552-Y556 HydrophobicContact CG-CD2 4.14Å; Y552-Y556 AromaticContact CZ-CD2 3.72Å; Y552-Y556 PolarHBondContact O-N 3.32Å; Y552-E560 HydrophobicContact CE1-CB 4.16Å; Y552-L561 HydrophobicContact CD1-CB 4.11Å; Y552-L561 HydrophobicContact CD1-CD1 3.94Å; Y552-L561 HydrophobicContact CE1-CB 4.49Å; Y552-L564 HydrophobicContact CD1-CD2 3.84Å; Y552-L564 HydrophobicContact CD2-CD2 4.16Å; Y552-L564 HydrophobicContact CE1-CB 4.14Å; Y552-L564 HydrophobicContact CE1-CD2 3.68Å; Y552-L564 HydrophobicContact CE2-CD2 4.03Å; Y552-L564 HydrophobicContact CG-CD2 4.08Å |
| 553 | L | 96.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.7 | -51.2 | 173.7 | 179.5 | 66.2 | 0 | 0 | 0 | 111.4 | A477 Q480 P549 D550 K555 Y556 G557 E558 L561 | A477-L553 HydrophobicContact CB-CB 4.12Å; A477-L553 HydrophobicContact CB-CD2 3.65Å; Q480-L553 HydrophobicContact CB-CD2 4.09Å; P549-L553 WeakPolarHBondContact O-CB 3.47Å; P549-L553 PolarHBondContact O-N 2.98Å; D550-L553 PolarHBondContact O-N 2.99Å; L553-K555 PolarHBondContact O-N 3.08Å; L553-Y556 PolarHBondContact O-N 2.93Å; L553-G557 VanDerWaalsContact O-CA 3.28Å; L553-G557 WeakPolarHBondContact O-CA 3.43Å; L553-G557 PolarHBondContact O-N 2.98Å; L553-E558 HydrophobicContact CD1-CB 4.27Å; L553-E558 HydrophobicContact CD1-CG 3.79Å; L553-L561 HydrophobicContact CB-CD2 3.99Å; L553-L561 HydrophobicContact CD1-CB 4.33Å; L553-L561 HydrophobicContact CD1-CD2 4.2Å |
| 554 | R | 94.2 | Very high | 96 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.8 | -23.1 | -178.2 | -75.8 | -176.2 | -78.4 | 99.5 | -5.6 | 113.4 | D550 E551 | D550-R554 WeakPolarHBondContact O-CB 3.38Å; D550-R554 WeakPolarHBondContact O-CG 3.42Å; D550-R554 PolarHBondContact O-N 2.65Å; D550-R554 PolarHBondContact O-NE 2.72Å; D550-R554 IonicContact OD1-CZ 2.68Å; D550-R554 IonicContact OD1-NE 3.95Å; D550-R554 PolarHBondContact OD1-NE 3.11Å; D550-R554 IonicContact OD1-NH2 3.89Å; D550-R554 IonicContact OD2-CZ 3Å; D550-R554 IonicContact OD2-NE 3.76Å; D550-R554 PolarHBondContact OD2-NE 3.12Å; D550-R554 IonicContact OD2-NH2 2.89Å; D550-R554 PolarHBondContact OD2-NH2 3.23Å; E551-R554 PolarHBondContact O-N 3.12Å |
| 555 | K | 95.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -92.1 | -36.5 | 179.5 | -171.4 | 173.4 | 178 | -176.7 | 0 | 113.9 | E545 L547 E551 Y552 L553 | E545-K555 WeakPolarHBondContact OE1-CE 3.27Å; E545-K555 IonicContact OE1-NZ 2.7Å; E545-K555 PolarHBondContact OE1-NZ 3.34Å; E545-K555 IonicContact OE2-NZ 3.69Å; E545-K555 PolarHBondContact OE2-NZ 2.96Å; L547-K555 HydrophobicContact CD1-CD 3.89Å; E551-K555 VanDerWaalsContact O-CB 3.31Å; E551-K555 WeakPolarHBondContact O-CB 3.06Å; E551-K555 PolarHBondContact O-N 3Å; E551-K555 VanDerWaalsContact O-N 3.08Å; Y552-K555 PolarHBondContact O-N 2.83Å; L553-K555 PolarHBondContact O-N 3.08Å |
| 556 | Y | 96.4 | Very high | 96.1 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -119.6 | -12.9 | -170.2 | -67.7 | -69.8 | 0 | 0 | 0 | 115.1 | E545 L547 Y552 L553 | E545-Y556 WeakPolarHBondContact OE1-CE2 3.46Å; E545-Y556 PolarHBondContact OE1-OH 2.81Å; L547-Y556 HydrophobicContact CD1-CE2 4.47Å; Y552-Y556 HydrophobicContact CD1-CD2 4.39Å; Y552-Y556 AromaticContact CD2-CD2 3.65Å; Y552-Y556 HydrophobicContact CD2-CD2 3.65Å; Y552-Y556 HydrophobicContact CD2-CE2 4.06Å; Y552-Y556 HydrophobicContact CE1-CD2 4.21Å; Y552-Y556 HydrophobicContact CE1-CG 4.49Å; Y552-Y556 AromaticContact CE2-CD2 3.41Å; Y552-Y556 HydrophobicContact CE2-CD2 3.41Å; Y552-Y556 VanDerWaalsContact CE2-CD2 3.41Å; Y552-Y556 AromaticContact CE2-CE2 3.75Å; Y552-Y556 HydrophobicContact CE2-CE2 3.75Å; Y552-Y556 HydrophobicContact CE2-CG 4.28Å; Y552-Y556 HydrophobicContact CG-CD2 4.14Å; Y552-Y556 AromaticContact CZ-CD2 3.72Å; Y552-Y556 PolarHBondContact O-N 3.32Å; L553-Y556 PolarHBondContact O-N 2.93Å |
| 557 | G | 95.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 57.4 Ų | 57.4 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | trans | 84.8 | 170.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L553 T559 E560 L561 | L553-G557 VanDerWaalsContact O-CA 3.28Å; L553-G557 WeakPolarHBondContact O-CA 3.43Å; L553-G557 PolarHBondContact O-N 2.98Å; G557-T559 PolarHBondContact O-N 2.94Å; G557-E560 PolarHBondContact O-N 3.48Å; G557-L561 PolarHBondContact O-N 3.41Å | ||
| 558 | E | 95.7 | Very high | 96 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -43 | -172 | -69.9 | 169.4 | -169.9 | 0 | 0 | 113.2 | A481 L553 E560 L561 Q562 | A481-E558 HydrophobicContact CB-CB 4.37Å; A481-E558 WeakPolarHBondContact CB-O 3.49Å; L553-E558 HydrophobicContact CD1-CB 4.27Å; L553-E558 HydrophobicContact CD1-CG 3.79Å; E558-E560 PolarHBondContact O-N 2.98Å; E558-L561 PolarHBondContact O-N 3.48Å; E558-Q562 WeakPolarHBondContact O-CB 3.43Å; E558-Q562 PolarHBondContact O-N 2.95Å |
| 559 | T | 96.8 | Very high | 96 | Very high | 105 Ų | 105 | 60 Ų | 60 | 64% | 0.644 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | -177.3 | -51.1 | 0 | 0 | 0 | 0 | 112.3 | G557 Q562 N563 | G557-T559 PolarHBondContact O-N 2.94Å; T559-Q562 PolarHBondContact O-N 3.45Å; T559-N563 VanDerWaalsContact O-CB 3.27Å; T559-N563 WeakPolarHBondContact O-CB 3.22Å; T559-N563 PolarHBondContact O-N 3.15Å |
| 560 | E | 97.1 | Very high | 96 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.4 | -37.2 | 179 | -68.1 | -55.5 | 148.7 | 0 | 0 | 111.9 | Y552 G557 E558 Q562 N563 L564 | Y552-E560 HydrophobicContact CE1-CB 4.16Å; G557-E560 PolarHBondContact O-N 3.48Å; E558-E560 PolarHBondContact O-N 2.98Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 3.29Å; E560-N563 PolarHBondContact O-N 2.69Å; E560-N563 PolarHBondContact OE2-ND2 3.05Å; E560-L564 VanDerWaalsContact O-CB 3.31Å; E560-L564 WeakPolarHBondContact O-CB 3.44Å; E560-L564 PolarHBondContact O-N 3.38Å |
| 561 | L | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 172.2 | 179.4 | 62.2 | 0 | 0 | 0 | 111 | A477 A481 P549 Y552 L553 G557 E558 L564 L565 | A477-L561 HydrophobicContact CB-CD2 4.11Å; A481-L561 HydrophobicContact CB-CB 4.26Å; A481-L561 HydrophobicContact CB-CD2 4.09Å; A481-L561 HydrophobicContact CB-CG 4.27Å; P549-L561 HydrophobicContact CB-CD1 4.29Å; Y552-L561 HydrophobicContact CD1-CB 4.11Å; Y552-L561 HydrophobicContact CD1-CD1 3.94Å; Y552-L561 HydrophobicContact CE1-CB 4.49Å; L553-L561 HydrophobicContact CB-CD2 3.99Å; L553-L561 HydrophobicContact CD1-CB 4.33Å; L553-L561 HydrophobicContact CD1-CD2 4.2Å; G557-L561 PolarHBondContact O-N 3.41Å; E558-L561 PolarHBondContact O-N 3.48Å; L561-L564 PolarHBondContact O-N 3.49Å; L561-L565 HydrophobicContact CD1-CD1 3.81Å; L561-L565 HydrophobicContact CD1-CG 3.97Å; L561-L565 HydrophobicContact CD2-CD1 4.43Å; L561-L565 HydrophobicContact CG-CD1 3.89Å; L561-L565 HydrophobicContact CG-CG 4.41Å; L561-L565 WeakPolarHBondContact O-CB 3.41Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.28Å |
| 562 | Q | 96.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.9 | -47 | 175.7 | -176.9 | 178.6 | 96.2 | 0 | 0 | 111.3 | A481 I483 E558 T559 E560 L565 Q566 | A481-Q562 HydrophobicContact CB-CB 4.37Å; A481-Q562 PolarHBondContact O-NE2 3.14Å; I483-Q562 HydrophobicContact CD1-CB 4.35Å; I483-Q562 HydrophobicContact CD1-CG 4.17Å; I483-Q562 HydrophobicContact CG1-CG 4.46Å; E558-Q562 WeakPolarHBondContact O-CB 3.43Å; E558-Q562 PolarHBondContact O-N 2.95Å; T559-Q562 PolarHBondContact O-N 3.45Å; E560-Q562 VanDerWaalsContact C-N 3.33Å; E560-Q562 PolarHBondContact O-N 3.29Å; Q562-L565 PolarHBondContact O-N 3.17Å; Q562-Q566 WeakPolarHBondContact O-CB 3.5Å; Q562-Q566 VanDerWaalsContact O-CG 3.31Å; Q562-Q566 WeakPolarHBondContact O-CG 3.37Å; Q562-Q566 PolarHBondContact O-N 3.33Å |
| 563 | N | 97.1 | Very high | 95.8 | Very high | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -45 | 177.3 | -175.4 | 30.7 | 0 | 0 | 0 | 112.1 | T559 E560 Q566 H567 | T559-N563 VanDerWaalsContact O-CB 3.27Å; T559-N563 WeakPolarHBondContact O-CB 3.22Å; T559-N563 PolarHBondContact O-N 3.15Å; E560-N563 PolarHBondContact O-N 2.69Å; E560-N563 PolarHBondContact OE2-ND2 3.05Å; N563-Q566 PolarHBondContact O-N 3.41Å; N563-H567 WeakPolarHBondContact O-CB 3.35Å; N563-H567 PolarHBondContact O-N 3.22Å; N563-H567 PolarHBondContact OD1-ND1 3.49Å |
| 564 | L | 97.8 | Very high | 95.7 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 176.4 | 176.1 | 64.4 | 0 | 0 | 0 | 111.9 | V541 V543 P544 Y552 E560 L561 Q566 G568 | V541-L564 HydrophobicContact CG1-CD1 3.88Å; V541-L564 HydrophobicContact CG1-CG 3.82Å; V543-L564 HydrophobicContact CG1-CD2 4.28Å; P544-L564 HydrophobicContact CG-CD1 4.4Å; Y552-L564 HydrophobicContact CD1-CD2 3.84Å; Y552-L564 HydrophobicContact CD2-CD2 4.16Å; Y552-L564 HydrophobicContact CE1-CB 4.14Å; Y552-L564 HydrophobicContact CE1-CD2 3.68Å; Y552-L564 HydrophobicContact CE2-CD2 4.03Å; Y552-L564 HydrophobicContact CG-CD2 4.08Å; E560-L564 VanDerWaalsContact O-CB 3.31Å; E560-L564 WeakPolarHBondContact O-CB 3.44Å; E560-L564 PolarHBondContact O-N 3.38Å; L561-L564 PolarHBondContact O-N 3.49Å; L564-Q566 VanDerWaalsContact C-N 3.33Å; L564-Q566 PolarHBondContact O-N 2.89Å; L564-G568 WeakPolarHBondContact O-CA 3.21Å; L564-G568 PolarHBondContact O-N 2.81Å |
| 565 | L | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -72.8 | -22.7 | -177.8 | -70.2 | 174.6 | 0 | 0 | 0 | 113.7 | I467 F469 A478 I483 A512 V541 L561 Q562 R569 | I467-L565 HydrophobicContact CD1-CB 4.27Å; I467-L565 HydrophobicContact CG2-CD2 4.49Å; F469-L565 HydrophobicContact CE1-CD1 4.36Å; F469-L565 HydrophobicContact CE1-CD2 4.15Å; F469-L565 HydrophobicContact CZ-CD1 3.96Å; F469-L565 HydrophobicContact CZ-CD2 4.25Å; A478-L565 HydrophobicContact CB-CD1 4.28Å; I483-L565 HydrophobicContact CD1-CB 3.72Å; I483-L565 HydrophobicContact CD1-CD1 3.73Å; I483-L565 HydrophobicContact CD1-CG 4.37Å; A512-L565 HydrophobicContact CB-CD2 3.74Å; V541-L565 HydrophobicContact CG1-CD2 4.39Å; L561-L565 HydrophobicContact CD1-CD1 3.81Å; L561-L565 HydrophobicContact CD1-CG 3.97Å; L561-L565 HydrophobicContact CD2-CD1 4.43Å; L561-L565 HydrophobicContact CG-CD1 3.89Å; L561-L565 HydrophobicContact CG-CG 4.41Å; L561-L565 WeakPolarHBondContact O-CB 3.41Å; L561-L565 WeakPolarHBondContact O-CG 3.34Å; L561-L565 PolarHBondContact O-N 3.28Å; Q562-L565 PolarHBondContact O-N 3.17Å; L565-R569 PolarHBondContact O-NE 3.03Å; L565-R569 PolarHBondContact O-NH2 3.45Å |
| 566 | Q | 93.7 | Very high | 95.8 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -90.9 | -47.7 | 176.5 | -69.9 | 177.1 | -0.5 | 0 | 0 | 112.8 | Q562 N563 L564 R569 | Q562-Q566 WeakPolarHBondContact O-CB 3.5Å; Q562-Q566 VanDerWaalsContact O-CG 3.31Å; Q562-Q566 WeakPolarHBondContact O-CG 3.37Å; Q562-Q566 PolarHBondContact O-N 3.33Å; N563-Q566 PolarHBondContact O-N 3.41Å; L564-Q566 VanDerWaalsContact C-N 3.33Å; L564-Q566 PolarHBondContact O-N 2.89Å; Q566-R569 VanDerWaalsContact O-CD 3.31Å; Q566-R569 WeakPolarHBondContact O-CD 3.34Å; Q566-R569 PolarHBondContact O-NE 3.1Å |
| 567 | H | 93.8 | Very high | 95.6 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 63% | 0.634 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -106.7 | -19 | -170.5 | -53.8 | 111.6 | 0 | 0 | 0 | 114.2 | N563 R569 | N563-H567 WeakPolarHBondContact O-CB 3.35Å; N563-H567 PolarHBondContact O-N 3.22Å; N563-H567 PolarHBondContact OD1-ND1 3.49Å; H567-R569 PolarHBondContact O-N 2.95Å; H567-R569 VanDerWaalsContact O-N 3.14Å |
| 568 | G | 93.6 | Very high | 95.5 | Very high | 34 Ų | 34 | 49 Ų | 49 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -78.4 | 19.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L564 | L564-G568 WeakPolarHBondContact O-CA 3.21Å; L564-G568 PolarHBondContact O-N 2.81Å |
| 569 | R | 95.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 29% | 0.291 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.5 | -174.9 | -61.7 | 176.9 | -178 | -170.6 | -2.1 | 111.4 | E465 V510 T540 V541 L565 Q566 H567 | E465-R569 VanDerWaalsContact CD-NH1 3.25Å; E465-R569 IonicContact OE1-CZ 3.91Å; E465-R569 VanDerWaalsContact OE1-CZ 3.27Å; E465-R569 IonicContact OE1-NH1 3.57Å; E465-R569 PolarHBondContact OE1-NH1 3.42Å; E465-R569 IonicContact OE1-NH2 2.68Å; E465-R569 PolarHBondContact OE1-NH2 2.92Å; E465-R569 IonicContact OE2-CZ 2.77Å; E465-R569 IonicContact OE2-NH1 2.75Å; E465-R569 PolarHBondContact OE2-NH1 3.22Å; E465-R569 IonicContact OE2-NH2 3.73Å; V510-R569 HydrophobicContact CG1-CG 4.29Å; T540-R569 CarbonylContact O-C 3.54Å; T540-R569 WeakPolarHBondContact O-CA 3.34Å; V541-R569 HydrophobicContact CG2-CG 3.84Å; L565-R569 PolarHBondContact O-NE 3.03Å; L565-R569 PolarHBondContact O-NH2 3.45Å; Q566-R569 VanDerWaalsContact O-CD 3.31Å; Q566-R569 WeakPolarHBondContact O-CD 3.34Å; Q566-R569 PolarHBondContact O-NE 3.1Å; H567-R569 PolarHBondContact O-N 2.95Å; H567-R569 VanDerWaalsContact O-N 3.14Å |
| 570 | Q | 95.3 | Very high | 95.3 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 158.8 | 176.2 | 69.9 | -175 | -26.4 | 0 | 0 | 111.4 | S539 T540 T542 A574 F575 | S539-Q570 WeakPolarHBondContact CA-O 3.34Å; T540-Q570 PolarHBondContact N-O 2.97Å; T540-Q570 PolarHBondContact O-N 3.24Å; T540-Q570 WeakPolarHBondContact OG1-CG 3.43Å; T540-Q570 PolarHBondContact OG1-NE2 3.06Å; T542-Q570 PolarHBondContact OG1-NE2 3.28Å; Q570-A574 HydrophobicContact CB-CB 3.92Å; Q570-A574 HydrophobicContact CG-CB 4.34Å; Q570-F575 HydrophobicContact CG-CB 4.33Å |
| 571 | T | 95.2 | Very high | 95 | Very high | 42 Ų | 42 | 43 Ų | 43 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | trans | -71.5 | 159.6 | 176.5 | 87.8 | 0 | 0 | 0 | 0 | 111.4 | F573 A574 F575 E611 Y615 | T571-F573 PolarHBondContact O-N 3.3Å; T571-F573 PolarHBondContact OG1-N 2.96Å; T571-A574 PolarHBondContact O-N 3.05Å; T571-A574 VanDerWaalsContact O-N 3.13Å; T571-A574 PolarHBondContact OG1-N 3Å; T571-F575 PolarHBondContact O-N 3.41Å; T571-E611 WeakPolarHBondContact CB-OE1 3.33Å; T571-E611 WeakPolarHBondContact CG2-OE1 3.34Å; T571-E611 PolarHBondContact OG1-OE1 3.32Å; T571-Y615 PolarHBondContact OG1-OH 3.42Å; T571-Y615 VanDerWaalsContact OG1-OH 3.05Å | ||
| 572 | P | 95.2 | Very high | 94.5 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.8 | -33.4 | 172.9 | -29.2 | 37.6 | 0 | 0 | 0 | 113.4 | L527 L538 K576 | L527-P572 HydrophobicContact CD1-CB 4.05Å; L527-P572 HydrophobicContact CD2-CB 3.84Å; L527-P572 HydrophobicContact CD2-CG 3.86Å; L538-P572 HydrophobicContact CB-CG 3.73Å; L538-P572 WeakPolarHBondContact O-CD 3.49Å; P572-K576 WeakPolarHBondContact O-CB 3.45Å; P572-K576 VanDerWaalsContact O-CG 3.27Å; P572-K576 WeakPolarHBondContact O-CG 3.31Å; P572-K576 PolarHBondContact O-N 2.89Å |
| 573 | F | 95.1 | Very high | 94 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.022 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.2 | -43.1 | 176.9 | -173.8 | -90.3 | 0 | 0 | 0 | 112 | T571 F575 K576 M577 L599 D602 L603 V606 Y615 | T571-F573 PolarHBondContact O-N 3.3Å; T571-F573 PolarHBondContact OG1-N 2.96Å; F573-F575 VanDerWaalsContact C-N 3.3Å; F573-F575 PolarHBondContact O-N 3.17Å; F573-K576 PolarHBondContact O-N 3.49Å; F573-M577 HydrophobicContact CE1-CB 4.42Å; F573-M577 HydrophobicContact CE1-SD 4.5Å; F573-M577 WeakPolarHBondContact O-CB 3.38Å; F573-M577 PolarHBondContact O-N 2.93Å; F573-L599 HydrophobicContact CZ-CB 4.48Å; F573-L599 HydrophobicContact CZ-CD1 4.48Å; F573-L599 HydrophobicContact CZ-CD2 4.42Å; F573-D602 HydrophobicContact CD2-CB 4.37Å; F573-D602 HydrophobicContact CE2-CB 4.24Å; F573-L603 HydrophobicContact CD1-CD1 4.29Å; F573-L603 HydrophobicContact CD2-CB 4.22Å; F573-L603 HydrophobicContact CD2-CD1 4.02Å; F573-L603 HydrophobicContact CE1-CD1 4.11Å; F573-L603 HydrophobicContact CE2-CB 3.53Å; F573-L603 HydrophobicContact CE2-CD1 3.85Å; F573-L603 HydrophobicContact CE2-CG 4.25Å; F573-L603 HydrophobicContact CG-CD1 4.25Å; F573-L603 HydrophobicContact CZ-CB 3.94Å; F573-L603 HydrophobicContact CZ-CD1 3.88Å; F573-L603 HydrophobicContact CZ-CG 4.34Å; F573-V606 HydrophobicContact CB-CG2 4.03Å; F573-V606 HydrophobicContact CD2-CG2 4.14Å; F573-V606 HydrophobicContact CG-CG2 4.27Å; F573-Y615 HydrophobicContact CB-CD2 4.31Å; F573-Y615 HydrophobicContact CB-CE2 3.99Å; F573-Y615 AromaticContact CD1-CD1 3.77Å; F573-Y615 HydrophobicContact CD1-CD1 3.77Å; F573-Y615 AromaticContact CD1-CD2 3.26Å; F573-Y615 HydrophobicContact CD1-CD2 3.26Å; F573-Y615 HydrophobicContact CD1-CE1 4.1Å; F573-Y615 AromaticContact CD1-CE2 3.58Å; F573-Y615 HydrophobicContact CD1-CE2 3.58Å; F573-Y615 AromaticContact CD1-CG 3.38Å; F573-Y615 HydrophobicContact CD1-CG 3.38Å; F573-Y615 AromaticContact CE1-CD1 3.95Å; F573-Y615 HydrophobicContact CE1-CD1 3.95Å; F573-Y615 AromaticContact CE1-CD2 3.88Å; F573-Y615 HydrophobicContact CE1-CD2 3.88Å; F573-Y615 AromaticContact CE1-CG 3.55Å; F573-Y615 HydrophobicContact CE1-CG 3.55Å; F573-Y615 AromaticContact CG-CD2 4Å; F573-Y615 HydrophobicContact CG-CD2 4Å; F573-Y615 HydrophobicContact CG-CE2 4.15Å; F573-Y615 HydrophobicContact CG-CG 4.49Å |
| 574 | A | 94.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q570 T571 M577 H578 Y615 | Q570-A574 HydrophobicContact CB-CB 3.92Å; Q570-A574 HydrophobicContact CG-CB 4.34Å; T571-A574 PolarHBondContact O-N 3.05Å; T571-A574 VanDerWaalsContact O-N 3.13Å; T571-A574 PolarHBondContact OG1-N 3Å; A574-M577 WeakPolarHBondContact O-CB 3.12Å; A574-M577 PolarHBondContact O-N 2.84Å; A574-H578 PolarHBondContact O-N 2.97Å; A574-H578 PolarHBondContact O-ND1 3.25Å; A574-Y615 HydrophobicContact CB-CE1 4.26Å |
| 575 | F | 96 | Very high | 93.2 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.3 | -52.6 | 172.8 | 172 | -98.2 | 0 | 0 | 0 | 111.9 | Q520 T523 E524 L527 T540 Q570 T571 F573 M577 H578 Y579 | Q520-F575 HydrophobicContact CB-CE2 4.41Å; Q520-F575 HydrophobicContact CB-CZ 4.19Å; Q520-F575 HydrophobicContact CG-CE2 4.22Å; Q520-F575 WeakPolarHBondContact O-CZ 3.47Å; T523-F575 HydrophobicContact CG2-CD1 4.14Å; T523-F575 HydrophobicContact CG2-CD2 4.23Å; T523-F575 HydrophobicContact CG2-CE1 3.75Å; T523-F575 HydrophobicContact CG2-CE2 3.84Å; T523-F575 HydrophobicContact CG2-CG 4.37Å; T523-F575 HydrophobicContact CG2-CZ 3.6Å; E524-F575 HydrophobicContact CB-CE1 4.14Å; L527-F575 HydrophobicContact CD1-CD1 3.62Å; L527-F575 HydrophobicContact CD1-CE1 4.2Å; L527-F575 HydrophobicContact CD1-CG 4.41Å; T540-F575 HydrophobicContact CG2-CB 4.31Å; T540-F575 HydrophobicContact CG2-CG 4.38Å; T540-F575 WeakPolarHBondContact OG1-CB 3.42Å; Q570-F575 HydrophobicContact CG-CB 4.33Å; T571-F575 PolarHBondContact O-N 3.41Å; F573-F575 VanDerWaalsContact C-N 3.3Å; F573-F575 PolarHBondContact O-N 3.17Å; F575-M577 VanDerWaalsContact C-N 3.26Å; F575-M577 PolarHBondContact O-N 3.33Å; F575-H578 PolarHBondContact O-N 2.77Å; F575-H578 VanDerWaalsContact O-N 3.1Å; F575-Y579 HydrophobicContact CE1-CG 4.29Å; F575-Y579 HydrophobicContact CZ-CD2 4.19Å; F575-Y579 HydrophobicContact CZ-CG 4.29Å; F575-Y579 WeakPolarHBondContact O-CB 3.49Å; F575-Y579 PolarHBondContact O-N 3.26Å |
| 576 | K | 95.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 178.6 | -76.4 | 170.2 | 169.8 | -172.6 | 0 | 112 | D531 P572 F573 H578 Y579 R580 D602 | D531-K576 IonicContact OD2-NZ 2.68Å; P572-K576 WeakPolarHBondContact O-CB 3.45Å; P572-K576 VanDerWaalsContact O-CG 3.27Å; P572-K576 WeakPolarHBondContact O-CG 3.31Å; P572-K576 PolarHBondContact O-N 2.89Å; F573-K576 PolarHBondContact O-N 3.49Å; K576-H578 VanDerWaalsContact C-N 3.35Å; K576-H578 PolarHBondContact O-N 2.68Å; K576-Y579 PolarHBondContact O-N 3.21Å; K576-R580 WeakPolarHBondContact O-CB 3.47Å; K576-R580 WeakPolarHBondContact O-CG 3.19Å; K576-R580 PolarHBondContact O-N 2.99Å; K576-D602 HydrophobicContact CD-CB 4.14Å; K576-D602 IonicContact NZ-OD1 3.11Å; K576-D602 PolarHBondContact NZ-OD1 3.35Å |
| 577 | M | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.4 | -173 | 176.9 | 67.4 | 0 | 0 | 112.1 | F573 A574 F575 K581 Y595 L599 L619 | F573-M577 HydrophobicContact CE1-CB 4.42Å; F573-M577 HydrophobicContact CE1-SD 4.5Å; F573-M577 WeakPolarHBondContact O-CB 3.38Å; F573-M577 PolarHBondContact O-N 2.93Å; A574-M577 WeakPolarHBondContact O-CB 3.12Å; A574-M577 PolarHBondContact O-N 2.84Å; F575-M577 VanDerWaalsContact C-N 3.26Å; F575-M577 PolarHBondContact O-N 3.33Å; M577-K581 WeakPolarHBondContact O-CG 3.48Å; M577-Y595 WeakPolarHBondContact CG-OH 3.46Å; M577-Y595 PolarHBondContact O-OH 2.92Å; M577-L599 HydrophobicContact CG-CD1 4.1Å; M577-L619 HydrophobicContact SD-CD2 4.27Å |
| 578 | H | 92.4 | Very high | 92.2 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71.8 | -46 | 174.5 | -64.5 | 95.2 | 0 | 0 | 0 | 112.1 | A574 F575 K576 R580 K581 | A574-H578 PolarHBondContact O-N 2.97Å; A574-H578 PolarHBondContact O-ND1 3.25Å; F575-H578 PolarHBondContact O-N 2.77Å; F575-H578 VanDerWaalsContact O-N 3.1Å; K576-H578 VanDerWaalsContact C-N 3.35Å; K576-H578 PolarHBondContact O-N 2.68Å; H578-R580 PolarHBondContact O-N 2.89Å; H578-K581 PolarHBondContact O-N 2.9Å; H578-K581 VanDerWaalsContact O-N 3.17Å |
| 579 | Y | 94 | Very high | 91.9 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 20% | 0.2 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | -178.1 | -179.8 | -106.1 | 0 | 0 | 0 | 112.7 | Q520 E524 F575 K576 K581 K582 | Q520-Y579 HydrophobicContact CB-CD2 4.04Å; Q520-Y579 HydrophobicContact CB-CE2 4.14Å; E524-Y579 HydrophobicContact CB-CD1 4.33Å; E524-Y579 HydrophobicContact CB-CE1 3.97Å; E524-Y579 HydrophobicContact CG-CD1 4.02Å; E524-Y579 HydrophobicContact CG-CE1 3.78Å; F575-Y579 HydrophobicContact CE1-CG 4.29Å; F575-Y579 HydrophobicContact CZ-CD2 4.19Å; F575-Y579 HydrophobicContact CZ-CG 4.29Å; F575-Y579 WeakPolarHBondContact O-CB 3.49Å; F575-Y579 PolarHBondContact O-N 3.26Å; K576-Y579 PolarHBondContact O-N 3.21Å; Y579-K581 PolarHBondContact O-N 3.12Å; Y579-K582 HydrophobicContact CD2-CD 4.41Å; Y579-K582 WeakPolarHBondContact O-CB 3.49Å; Y579-K582 WeakPolarHBondContact O-CG 3.37Å; Y579-K582 PolarHBondContact O-N 3.02Å |
| 580 | R | 93.7 | Very high | 91.6 | Very high | 65 Ų | 65 | 56 Ų | 56 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.7 | -179.7 | -61.1 | -69.9 | -169.2 | -132.2 | -12.5 | 113.8 | E524 K576 H578 K582 L584 Y595 V598 L599 D602 | E524-R580 IonicContact OE1-CZ 3.41Å; E524-R580 VanDerWaalsContact OE1-CZ 3.24Å; E524-R580 IonicContact OE1-NH1 2.89Å; E524-R580 PolarHBondContact OE1-NH1 3.42Å; E524-R580 IonicContact OE1-NH2 2.91Å; E524-R580 PolarHBondContact OE1-NH2 3.36Å; K576-R580 WeakPolarHBondContact O-CB 3.47Å; K576-R580 WeakPolarHBondContact O-CG 3.19Å; K576-R580 PolarHBondContact O-N 2.99Å; H578-R580 PolarHBondContact O-N 2.89Å; R580-K582 VanDerWaalsContact C-N 3.31Å; R580-L584 WeakPolarHBondContact O-CD1 3.09Å; R580-Y595 HydrophobicContact CB-CD2 4.08Å; R580-Y595 HydrophobicContact CB-CE2 3.75Å; R580-Y595 WeakPolarHBondContact O-CD2 3.37Å; R580-V598 HydrophobicContact CG-CG1 4.27Å; R580-L599 HydrophobicContact CB-CD2 4.23Å; R580-L599 HydrophobicContact CG-CD2 4.21Å; R580-D602 IonicContact CZ-OD2 2.66Å; R580-D602 IonicContact NE-OD2 2.68Å; R580-D602 PolarHBondContact NE-OD2 3.44Å; R580-D602 IonicContact NH2-OD2 2.69Å; R580-D602 PolarHBondContact NH2-OD2 2.85Å |
| 581 | K | 91.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 22% | 0.222 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.8 | 172.7 | -68.4 | -177.1 | -172.6 | -175.3 | 0 | 112.3 | M577 H578 Y579 G583 L584 L586 Y595 E622 | M577-K581 WeakPolarHBondContact O-CG 3.48Å; H578-K581 PolarHBondContact O-N 2.9Å; H578-K581 VanDerWaalsContact O-N 3.17Å; Y579-K581 PolarHBondContact O-N 3.12Å; K581-G583 PolarHBondContact O-N 3.5Å; K581-L584 PolarHBondContact O-N 3.23Å; K581-L586 HydrophobicContact CD-CD1 4.08Å; K581-L586 HydrophobicContact CG-CD1 4.19Å; K581-Y595 HydrophobicContact CB-CE2 4.28Å; K581-Y595 WeakPolarHBondContact CE-OH 3.12Å; K581-Y595 HydrophobicContact CG-CD2 4.31Å; K581-Y595 HydrophobicContact CG-CE1 4.33Å; K581-Y595 HydrophobicContact CG-CE2 3.43Å; K581-Y595 VanDerWaalsContact CG-CE2 3.43Å; K581-Y595 VanDerWaalsContact CG-CZ 3.43Å; K581-Y595 VanDerWaalsContact CG-OH 3.29Å; K581-Y595 WeakPolarHBondContact CG-OH 3.42Å; K581-E622 IonicContact NZ-OE1 2.79Å; K581-E622 PolarHBondContact NZ-OE1 3.05Å; K581-E622 IonicContact NZ-OE2 2.68Å; K581-E622 PolarHBondContact NZ-OE2 3.36Å |
| 582 | K | 87.1 | Confident | 91.2 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 127.6 | -176.2 | -70 | -172 | 175.5 | -169.5 | 0 | 111.3 | D517 Y579 R580 L584 | D517-K582 IonicContact OD1-NZ 2.99Å; D517-K582 PolarHBondContact OD1-NZ 3.13Å; Y579-K582 HydrophobicContact CD2-CD 4.41Å; Y579-K582 WeakPolarHBondContact O-CB 3.49Å; Y579-K582 WeakPolarHBondContact O-CG 3.37Å; Y579-K582 PolarHBondContact O-N 3.02Å; R580-K582 VanDerWaalsContact C-N 3.31Å; K582-L584 VanDerWaalsContact C-N 3.28Å; K582-L584 PolarHBondContact O-N 3.46Å |
| 583 | G | 86 | Confident | 91 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 89% | 0.887 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K581 | K581-G583 PolarHBondContact O-N 3.5Š|
| 584 | L | 89.1 | Confident | 90.8 | Very high | 50 Ų | 50 | 65.7 Ų | 65.7 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | trans | -97.1 | 141.2 | 177.2 | -60.8 | -176.6 | 0 | 0 | 0 | 111.4 | R580 K581 K582 L586 D591 Y595 | R580-L584 WeakPolarHBondContact O-CD1 3.09Å; K581-L584 PolarHBondContact O-N 3.23Å; K582-L584 VanDerWaalsContact C-N 3.28Å; K582-L584 PolarHBondContact O-N 3.46Å; L584-L586 HydrophobicContact CB-CD2 4.45Å; L584-D591 HydrophobicContact CB-CB 4.37Å; L584-Y595 HydrophobicContact CD1-CD2 3.92Å; L584-Y595 HydrophobicContact CD1-CG 4.28Å | ||
| 585 | N | 89.4 | Confident | 90.8 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 46% | 0.46 | 35% | 0.347 | S | S | . | . | trans | -94.1 | 98.3 | 168.6 | 179.5 | 6.7 | 0 | 0 | 0 | 109.5 | D587 N588 D591 | N585-D587 PolarHBondContact O-N 3.03Å; N585-D587 VanDerWaalsContact O-N 3.09Å; N585-D587 WeakPolarHBondContact OD1-CB 3.44Å; N585-D587 PolarHBondContact OD1-N 2.83Å; N585-D587 VanDerWaalsContact OD1-N 3.12Å; N585-N588 HydrophobicContact CB-CB 4.33Å; N585-N588 WeakPolarHBondContact O-CA 3.27Å; N585-N588 VanDerWaalsContact O-CB 3.28Å; N585-N588 WeakPolarHBondContact O-CB 3.39Å; N585-N588 PolarHBondContact O-N 2.91Å; N585-D591 PolarHBondContact N-OD2 3.28Å; N585-D591 VanDerWaalsContact O-CB 3.32Å; N585-D591 WeakPolarHBondContact O-CB 3.36Å | ||
| 586 | L | 87.3 | Confident | 90.7 | Very high | 39 Ų | 39 | 66 Ų | 66 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -8 | -177.8 | -61.7 | 179.2 | 0 | 0 | 0 | 114.4 | K581 L584 N588 R592 Y595 F623 | K581-L586 HydrophobicContact CD-CD1 4.08Å; K581-L586 HydrophobicContact CG-CD1 4.19Å; L584-L586 HydrophobicContact CB-CD2 4.45Å; L586-N588 VanDerWaalsContact C-N 3.33Å; L586-R592 VanDerWaalsContact O-CZ 3.24Å; L586-R592 PolarHBondContact O-NE 3.15Å; L586-R592 PolarHBondContact O-NH2 3.07Å; L586-Y595 HydrophobicContact CD2-CD1 4.14Å; L586-Y595 HydrophobicContact CD2-CG 4.04Å; L586-F623 HydrophobicContact CD1-CE1 4.24Å; L586-F623 HydrophobicContact CD1-CZ 4.19Å; L586-F623 HydrophobicContact CD2-CE1 4.38Å |
| 587 | D | 86.4 | Confident | 90.5 | Very high | 144 Ų | 144 | 70.5 Ų | 70.5 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -19.4 | 167.1 | -65.1 | -36.6 | 0 | 0 | 0 | 112.6 | N585 | N585-D587 PolarHBondContact O-N 3.03Å; N585-D587 VanDerWaalsContact O-N 3.09Å; N585-D587 WeakPolarHBondContact OD1-CB 3.44Å; N585-D587 PolarHBondContact OD1-N 2.83Å; N585-D587 VanDerWaalsContact OD1-N 3.12Å |
| 588 | N | 89 | Confident | 90.4 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -80.3 | 126 | 170.7 | -175.2 | -36.7 | 0 | 0 | 0 | 109.9 | N585 L586 A590 D591 R592 | N585-N588 HydrophobicContact CB-CB 4.33Å; N585-N588 WeakPolarHBondContact O-CA 3.27Å; N585-N588 VanDerWaalsContact O-CB 3.28Å; N585-N588 WeakPolarHBondContact O-CB 3.39Å; N585-N588 PolarHBondContact O-N 2.91Å; L586-N588 VanDerWaalsContact C-N 3.33Å; N588-A590 VanDerWaalsContact C-N 3.33Å; N588-A590 PolarHBondContact O-N 3.1Å; N588-A590 WeakPolarHBondContact OD1-CB 3.45Å; N588-A590 PolarHBondContact OD1-N 3.19Å; N588-D591 HydrophobicContact CB-CB 4.13Å; N588-D591 PolarHBondContact O-N 3.03Å; N588-R592 WeakPolarHBondContact O-CB 3.42Å; N588-R592 PolarHBondContact O-N 3.38Å |
| 589 | E | 88.1 | Confident | 90.5 | Very high | 149 Ų | 149 | 67.5 Ų | 67.5 | 70% | 0.696 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -37.2 | -178.4 | -169.9 | 175.4 | 173.1 | 0 | 0 | 112.9 | R592 L593 | E589-R592 PolarHBondContact O-N 2.96Å; E589-L593 HydrophobicContact CG-CD1 4.2Å; E589-L593 WeakPolarHBondContact O-CB 3.24Å; E589-L593 VanDerWaalsContact O-CG 3.27Å; E589-L593 WeakPolarHBondContact O-CG 3.48Å; E589-L593 PolarHBondContact O-N 3.26Å |
| 590 | A | 89.1 | Confident | 90.5 | Very high | 63 Ų | 63 | 65.1 Ų | 65.1 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69 | -44 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N588 R592 L593 N594 | N588-A590 VanDerWaalsContact C-N 3.33Å; N588-A590 PolarHBondContact O-N 3.1Å; N588-A590 WeakPolarHBondContact OD1-CB 3.45Å; N588-A590 PolarHBondContact OD1-N 3.19Å; A590-R592 VanDerWaalsContact C-N 3.33Å; A590-R592 PolarHBondContact O-N 2.9Å; A590-L593 PolarHBondContact O-N 2.93Å; A590-N594 VanDerWaalsContact O-CB 3.3Å; A590-N594 WeakPolarHBondContact O-CB 3.3Å; A590-N594 PolarHBondContact O-N 3.1Å |
| 591 | D | 91.1 | Very high | 90.4 | Very high | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 175 | -75.5 | 4.9 | 0 | 0 | 0 | 110.9 | L584 N585 N588 N594 Y595 | L584-D591 HydrophobicContact CB-CB 4.37Å; N585-D591 PolarHBondContact N-OD2 3.28Å; N585-D591 VanDerWaalsContact O-CB 3.32Å; N585-D591 WeakPolarHBondContact O-CB 3.36Å; N588-D591 HydrophobicContact CB-CB 4.13Å; N588-D591 PolarHBondContact O-N 3.03Å; D591-N594 PolarHBondContact O-N 2.92Å; D591-Y595 VanDerWaalsContact O-CB 3.24Å; D591-Y595 WeakPolarHBondContact O-CB 3.49Å; D591-Y595 PolarHBondContact O-N 3.46Å |
| 592 | R | 90.6 | Very high | 90.5 | Very high | 87 Ų | 87 | 64.1 Ų | 64.1 | 33% | 0.328 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 176.9 | -174.2 | -176.1 | -64 | -168.9 | 0.8 | 112.3 | L586 N588 E589 A590 L596 F623 | L586-R592 VanDerWaalsContact O-CZ 3.24Å; L586-R592 PolarHBondContact O-NE 3.15Å; L586-R592 PolarHBondContact O-NH2 3.07Å; N588-R592 WeakPolarHBondContact O-CB 3.42Å; N588-R592 PolarHBondContact O-N 3.38Å; E589-R592 PolarHBondContact O-N 2.96Å; A590-R592 VanDerWaalsContact C-N 3.33Å; A590-R592 PolarHBondContact O-N 2.9Å; R592-L596 HydrophobicContact CG-CD1 4.43Å; R592-L596 WeakPolarHBondContact O-CG 3.29Å; R592-L596 PolarHBondContact O-N 2.78Å; R592-L596 VanDerWaalsContact O-N 3.11Å; R592-F623 HydrophobicContact CG-CD1 3.76Å; R592-F623 HydrophobicContact CG-CE1 3.97Å |
| 593 | L | 91 | Very high | 90.8 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 55% | 0.55 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 176.9 | -73 | 170.6 | 0 | 0 | 0 | 111.5 | E589 A590 Y595 L596 E597 | E589-L593 HydrophobicContact CG-CD1 4.2Å; E589-L593 WeakPolarHBondContact O-CB 3.24Å; E589-L593 VanDerWaalsContact O-CG 3.27Å; E589-L593 WeakPolarHBondContact O-CG 3.48Å; E589-L593 PolarHBondContact O-N 3.26Å; A590-L593 PolarHBondContact O-N 2.93Å; L593-Y595 PolarHBondContact O-N 2.89Å; L593-L596 PolarHBondContact O-N 2.86Å; L593-E597 PolarHBondContact O-N 3.22Å |
| 594 | N | 92.1 | Very high | 91.1 | Very high | 80 Ų | 80 | 56.8 Ų | 56.8 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.2 | 179.9 | 36.1 | 0 | 0 | 0 | 111.9 | A590 D591 L596 E597 V598 | A590-N594 VanDerWaalsContact O-CB 3.3Å; A590-N594 WeakPolarHBondContact O-CB 3.3Å; A590-N594 PolarHBondContact O-N 3.1Å; D591-N594 PolarHBondContact O-N 2.92Å; N594-L596 PolarHBondContact O-N 3.42Å; N594-E597 PolarHBondContact O-N 3.43Å; N594-V598 WeakPolarHBondContact O-CG2 3.37Å; N594-V598 PolarHBondContact O-N 3.1Å |
| 595 | Y | 94.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.4 | -49.4 | 174.9 | 176.8 | -107 | 0 | 0 | 0 | 112.1 | M577 R580 K581 L584 L586 D591 L593 V598 L599 F623 | M577-Y595 WeakPolarHBondContact CG-OH 3.46Å; M577-Y595 PolarHBondContact O-OH 2.92Å; R580-Y595 HydrophobicContact CB-CD2 4.08Å; R580-Y595 HydrophobicContact CB-CE2 3.75Å; R580-Y595 WeakPolarHBondContact O-CD2 3.37Å; K581-Y595 HydrophobicContact CB-CE2 4.28Å; K581-Y595 WeakPolarHBondContact CE-OH 3.12Å; K581-Y595 HydrophobicContact CG-CD2 4.31Å; K581-Y595 HydrophobicContact CG-CE1 4.33Å; K581-Y595 HydrophobicContact CG-CE2 3.43Å; K581-Y595 VanDerWaalsContact CG-CE2 3.43Å; K581-Y595 VanDerWaalsContact CG-CZ 3.43Å; K581-Y595 VanDerWaalsContact CG-OH 3.29Å; K581-Y595 WeakPolarHBondContact CG-OH 3.42Å; L584-Y595 HydrophobicContact CD1-CD2 3.92Å; L584-Y595 HydrophobicContact CD1-CG 4.28Å; L586-Y595 HydrophobicContact CD2-CD1 4.14Å; L586-Y595 HydrophobicContact CD2-CG 4.04Å; D591-Y595 VanDerWaalsContact O-CB 3.24Å; D591-Y595 WeakPolarHBondContact O-CB 3.49Å; D591-Y595 PolarHBondContact O-N 3.46Å; L593-Y595 PolarHBondContact O-N 2.89Å; Y595-V598 PolarHBondContact O-N 2.88Å; Y595-L599 HydrophobicContact CD1-CD1 4.25Å; Y595-L599 HydrophobicContact CE1-CD1 3.49Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.49Å; Y595-L599 HydrophobicContact CE1-CG 4.12Å; Y595-L599 HydrophobicContact CE2-CD1 4.15Å; Y595-L599 HydrophobicContact CE2-CD2 4.3Å; Y595-L599 HydrophobicContact CE2-CG 4.1Å; Y595-L599 VanDerWaalsContact CZ-CD1 3.44Å; Y595-L599 WeakPolarHBondContact O-CB 3.42Å; Y595-L599 WeakPolarHBondContact O-CG 3.28Å; Y595-L599 PolarHBondContact O-N 2.93Å; Y595-L599 WeakPolarHBondContact OH-CD1 3.26Å; Y595-F623 HydrophobicContact CD1-CE1 4.4Å; Y595-F623 HydrophobicContact CD1-CE2 4.2Å; Y595-F623 AromaticContact CD1-CZ 3.69Å; Y595-F623 HydrophobicContact CD1-CZ 3.69Å; Y595-F623 AromaticContact CE1-CE2 3.78Å; Y595-F623 HydrophobicContact CE1-CE2 3.78Å; Y595-F623 AromaticContact CE1-CZ 3.51Å; Y595-F623 HydrophobicContact CE1-CZ 3.51Å |
| 596 | L | 93.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 178.5 | -72.8 | 169.6 | 0 | 0 | 0 | 112.1 | R592 L593 N594 L599 M600 L619 F623 L625 | R592-L596 HydrophobicContact CG-CD1 4.43Å; R592-L596 WeakPolarHBondContact O-CG 3.29Å; R592-L596 PolarHBondContact O-N 2.78Å; R592-L596 VanDerWaalsContact O-N 3.11Å; L593-L596 PolarHBondContact O-N 2.86Å; N594-L596 PolarHBondContact O-N 3.42Å; L596-L599 PolarHBondContact O-N 2.71Å; L596-M600 VanDerWaalsContact O-CG 3.3Å; L596-M600 WeakPolarHBondContact O-CG 3.49Å; L596-M600 PolarHBondContact O-N 3.01Å; L596-L619 HydrophobicContact CD2-CD2 4.47Å; L596-F623 HydrophobicContact CD1-CG 4.46Å; L596-F623 HydrophobicContact CD2-CD2 3.87Å; L596-F623 HydrophobicContact CD2-CE2 4.15Å; L596-F623 HydrophobicContact CD2-CG 4.31Å; L596-L625 HydrophobicContact CD1-CD1 3.6Å |
| 597 | E | 91.3 | Very high | 91 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 176.7 | -175 | 173.8 | -178.1 | 0 | 0 | 111.7 | L593 N594 L599 M600 Q601 | L593-E597 PolarHBondContact O-N 3.22Å; N594-E597 PolarHBondContact O-N 3.43Å; E597-L599 VanDerWaalsContact C-N 3.33Å; E597-L599 PolarHBondContact O-N 3.27Å; E597-M600 PolarHBondContact O-N 2.84Å; E597-M600 VanDerWaalsContact O-N 3.16Å; E597-Q601 PolarHBondContact O-N 3.08Å |
| 598 | V | 92.6 | Very high | 91.1 | Very high | 41 Ų | 41 | 58 Ų | 58 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | R580 N594 Y595 M600 Q601 D602 | R580-V598 HydrophobicContact CG-CG1 4.27Å; N594-V598 WeakPolarHBondContact O-CG2 3.37Å; N594-V598 PolarHBondContact O-N 3.1Å; Y595-V598 PolarHBondContact O-N 2.88Å; V598-M600 PolarHBondContact O-N 3.31Å; V598-Q601 WeakPolarHBondContact O-CB 3.31Å; V598-Q601 PolarHBondContact O-N 2.95Å; V598-D602 PolarHBondContact O-N 3.47Å |
| 599 | L | 94 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 174.8 | -75.9 | -162 | 0 | 0 | 0 | 113.4 | F573 M577 R580 Y595 L596 E597 Q601 D602 L603 L619 | F573-L599 HydrophobicContact CZ-CB 4.48Å; F573-L599 HydrophobicContact CZ-CD1 4.48Å; F573-L599 HydrophobicContact CZ-CD2 4.42Å; M577-L599 HydrophobicContact CG-CD1 4.1Å; R580-L599 HydrophobicContact CB-CD2 4.23Å; R580-L599 HydrophobicContact CG-CD2 4.21Å; Y595-L599 HydrophobicContact CD1-CD1 4.25Å; Y595-L599 HydrophobicContact CE1-CD1 3.49Å; Y595-L599 VanDerWaalsContact CE1-CD1 3.49Å; Y595-L599 HydrophobicContact CE1-CG 4.12Å; Y595-L599 HydrophobicContact CE2-CD1 4.15Å; Y595-L599 HydrophobicContact CE2-CD2 4.3Å; Y595-L599 HydrophobicContact CE2-CG 4.1Å; Y595-L599 VanDerWaalsContact CZ-CD1 3.44Å; Y595-L599 WeakPolarHBondContact O-CB 3.42Å; Y595-L599 WeakPolarHBondContact O-CG 3.28Å; Y595-L599 PolarHBondContact O-N 2.93Å; Y595-L599 WeakPolarHBondContact OH-CD1 3.26Å; L596-L599 PolarHBondContact O-N 2.71Å; E597-L599 VanDerWaalsContact C-N 3.33Å; E597-L599 PolarHBondContact O-N 3.27Å; L599-Q601 VanDerWaalsContact C-N 3.26Å; L599-Q601 PolarHBondContact O-N 2.91Å; L599-D602 PolarHBondContact O-N 3.47Å; L599-L603 VanDerWaalsContact O-CB 3.24Å; L599-L603 WeakPolarHBondContact O-CB 3.41Å; L599-L603 PolarHBondContact O-N 2.78Å; L599-L619 HydrophobicContact CD1-CD1 4.16Å; L599-L619 HydrophobicContact CD1-CD2 3.74Å |
| 600 | M | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -31.1 | 176.7 | -69.7 | -58.6 | 102.1 | 0 | 0 | 111.7 | L596 E597 V598 L603 A604 L616 L619 Q633 L634 V637 | L596-M600 VanDerWaalsContact O-CG 3.3Å; L596-M600 WeakPolarHBondContact O-CG 3.49Å; L596-M600 PolarHBondContact O-N 3.01Å; E597-M600 PolarHBondContact O-N 2.84Å; E597-M600 VanDerWaalsContact O-N 3.16Å; V598-M600 PolarHBondContact O-N 3.31Å; M600-L603 HydrophobicContact CE-CD2 3.72Å; M600-L603 HydrophobicContact SD-CD2 4.22Å; M600-A604 VanDerWaalsContact O-CB 3.26Å; M600-A604 WeakPolarHBondContact O-CB 3.29Å; M600-A604 PolarHBondContact O-N 2.93Å; M600-L616 HydrophobicContact SD-CD2 4.45Å; M600-L619 HydrophobicContact CE-CD1 3.61Å; M600-Q633 HydrophobicContact CB-CG 4.42Å; M600-Q633 HydrophobicContact CG-CB 4.48Å; M600-Q633 HydrophobicContact CG-CG 3.87Å; M600-L634 HydrophobicContact SD-CB 4.19Å; M600-L634 HydrophobicContact SD-CD1 4.49Å; M600-V637 HydrophobicContact CB-CG2 4.03Å |
| 601 | Q | 92.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 172.4 | -62.1 | 179 | 17.3 | 0 | 0 | 112.7 | E597 V598 L599 V637 | E597-Q601 PolarHBondContact O-N 3.08Å; V598-Q601 WeakPolarHBondContact O-CB 3.31Å; V598-Q601 PolarHBondContact O-N 2.95Å; L599-Q601 VanDerWaalsContact C-N 3.26Å; L599-Q601 PolarHBondContact O-N 2.91Å; Q601-V637 HydrophobicContact CG-CG1 4.14Å |
| 602 | D | 92.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.6 | -38.4 | 175.2 | -87.3 | -41.7 | 0 | 0 | 0 | 111.8 | F573 K576 R580 V598 L599 A604 K605 | F573-D602 HydrophobicContact CD2-CB 4.37Å; F573-D602 HydrophobicContact CE2-CB 4.24Å; K576-D602 HydrophobicContact CD-CB 4.14Å; K576-D602 IonicContact NZ-OD1 3.11Å; K576-D602 PolarHBondContact NZ-OD1 3.35Å; R580-D602 IonicContact CZ-OD2 2.66Å; R580-D602 IonicContact NE-OD2 2.68Å; R580-D602 PolarHBondContact NE-OD2 3.44Å; R580-D602 IonicContact NH2-OD2 2.69Å; R580-D602 PolarHBondContact NH2-OD2 2.85Å; V598-D602 PolarHBondContact O-N 3.47Å; L599-D602 PolarHBondContact O-N 3.47Å; D602-A604 VanDerWaalsContact C-N 3.31Å; D602-A604 PolarHBondContact O-N 2.82Å; D602-K605 WeakPolarHBondContact O-CB 3.49Å; D602-K605 PolarHBondContact O-N 3.32Å; D602-K605 IonicContact OD1-NZ 3.92Å; D602-K605 PolarHBondContact OD1-NZ 3.14Å |
| 603 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 177.4 | -169.9 | 60.2 | 0 | 0 | 0 | 111.9 | F573 L599 M600 K605 V606 Q612 Y615 L616 L634 | F573-L603 HydrophobicContact CD1-CD1 4.29Å; F573-L603 HydrophobicContact CD2-CB 4.22Å; F573-L603 HydrophobicContact CD2-CD1 4.02Å; F573-L603 HydrophobicContact CE1-CD1 4.11Å; F573-L603 HydrophobicContact CE2-CB 3.53Å; F573-L603 HydrophobicContact CE2-CD1 3.85Å; F573-L603 HydrophobicContact CE2-CG 4.25Å; F573-L603 HydrophobicContact CG-CD1 4.25Å; F573-L603 HydrophobicContact CZ-CB 3.94Å; F573-L603 HydrophobicContact CZ-CD1 3.88Å; F573-L603 HydrophobicContact CZ-CG 4.34Å; L599-L603 VanDerWaalsContact O-CB 3.24Å; L599-L603 WeakPolarHBondContact O-CB 3.41Å; L599-L603 PolarHBondContact O-N 2.78Å; M600-L603 HydrophobicContact CE-CD2 3.72Å; M600-L603 HydrophobicContact SD-CD2 4.22Å; L603-K605 PolarHBondContact O-N 3.14Å; L603-V606 HydrophobicContact CD1-CG2 4.19Å; L603-V606 WeakPolarHBondContact O-CB 3.47Å; L603-V606 PolarHBondContact O-N 3.14Å; L603-Q612 HydrophobicContact CD1-CB 4.47Å; L603-Q612 HydrophobicContact CD1-CG 4.01Å; L603-Q612 HydrophobicContact CG-CG 4.36Å; L603-Q612 PolarHBondContact O-NE2 3.33Å; L603-Y615 HydrophobicContact CD1-CD2 4.38Å; L603-L616 HydrophobicContact CD2-CD2 3.84Å; L603-L616 HydrophobicContact CD2-CG 3.98Å; L603-L634 HydrophobicContact CB-CD1 4.14Å; L603-L634 HydrophobicContact CD2-CD1 4.32Å; L603-L634 HydrophobicContact CD2-CD2 4.26Å; L603-L634 HydrophobicContact CG-CD1 4.12Å; L603-L634 HydrophobicContact CG-CD2 4.43Å |
| 604 | A | 92 | Very high | 91.7 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M600 D602 L634 V637 R638 I641 | M600-A604 VanDerWaalsContact O-CB 3.26Å; M600-A604 WeakPolarHBondContact O-CB 3.29Å; M600-A604 PolarHBondContact O-N 2.93Å; D602-A604 VanDerWaalsContact C-N 3.31Å; D602-A604 PolarHBondContact O-N 2.82Å; A604-L634 HydrophobicContact CB-CD1 3.96Å; A604-V637 HydrophobicContact CB-CG1 3.94Å; A604-R638 HydrophobicContact CB-CG 3.99Å; A604-I641 HydrophobicContact CB-CD1 3.79Å |
| 605 | K | 88.8 | Confident | 91.8 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -24.5 | 177.6 | -58.4 | 168 | -166.8 | 164.2 | 0 | 112.9 | D602 L603 Q607 | D602-K605 WeakPolarHBondContact O-CB 3.49Å; D602-K605 PolarHBondContact O-N 3.32Å; D602-K605 IonicContact OD1-NZ 3.92Å; D602-K605 PolarHBondContact OD1-NZ 3.14Å; L603-K605 PolarHBondContact O-N 3.14Å; K605-Q607 PolarHBondContact O-N 2.86Å; K605-Q607 PolarHBondContact O-NE2 2.91Å |
| 606 | V | 89.7 | Confident | 91.9 | Very high | 19 Ų | 19 | 51 Ų | 51 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | trans | -61.3 | 128.7 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | F573 L603 E611 Q612 | F573-V606 HydrophobicContact CB-CG2 4.03Å; F573-V606 HydrophobicContact CD2-CG2 4.14Å; F573-V606 HydrophobicContact CG-CG2 4.27Å; L603-V606 HydrophobicContact CD1-CG2 4.19Å; L603-V606 WeakPolarHBondContact O-CB 3.47Å; L603-V606 PolarHBondContact O-N 3.14Å; V606-E611 HydrophobicContact CG1-CB 4.07Å; V606-E611 HydrophobicContact CG1-CG 3.95Å; V606-E611 VanDerWaalsContact CG1-OE2 3.32Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.41Å; V606-Q612 HydrophobicContact CB-CG 3.98Å; V606-Q612 HydrophobicContact CG1-CG 3.9Å; V606-Q612 PolarHBondContact O-NE2 3.33Å | ||
| 607 | Q | 85.4 | Confident | 91.9 | Very high | 164 Ų | 164 | 50.9 Ų | 50.9 | 77% | 0.766 | 27% | 0.272 | S | S | * | . | trans | -87.6 | -31.5 | -176.4 | -59.7 | -57.8 | -39.6 | 0 | 0 | 112.9 | K605 P609 | K605-Q607 PolarHBondContact O-N 2.86Å; K605-Q607 PolarHBondContact O-NE2 2.91Å; Q607-P609 VanDerWaalsContact O-CD 3.27Å; Q607-P609 WeakPolarHBondContact O-CD 3.35Å | ||
| 608 | S | 88.1 | Confident | 92 | Very high | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | trans | -73.6 | 117 | -177.5 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V610 E611 Q612 | S608-V610 PolarHBondContact O-N 3.22Å; S608-E611 PolarHBondContact O-N 3.28Å; S608-E611 PolarHBondContact OG-N 3.49Å; S608-Q612 WeakPolarHBondContact O-CG 3.06Å; S608-Q612 PolarHBondContact O-N 3.01Å | ||
| 609 | P | 89.4 | Confident | 92 | Very high | 98 Ų | 98 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.3 | -28.2 | 177.6 | -20.9 | 34.4 | 0 | 0 | 0 | 112.9 | Q607 D613 | Q607-P609 VanDerWaalsContact O-CD 3.27Å; Q607-P609 WeakPolarHBondContact O-CD 3.35Å; P609-D613 WeakPolarHBondContact O-CB 3.41Å; P609-D613 PolarHBondContact O-N 3.4Å |
| 610 | V | 91.6 | Very high | 92 | Very high | 117 Ų | 117 | 48.4 Ų | 48.4 | 71% | 0.709 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.6 | -44.5 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | S608 Q612 D613 L614 | S608-V610 PolarHBondContact O-N 3.22Å; V610-Q612 VanDerWaalsContact C-N 3.31Å; V610-Q612 PolarHBondContact O-N 2.59Å; V610-D613 PolarHBondContact O-N 2.8Å; V610-L614 WeakPolarHBondContact O-CB 3.24Å; V610-L614 PolarHBondContact O-N 3.27Å |
| 611 | E | 91.7 | Very high | 92 | Very high | 46 Ų | 46 | 54.2 Ų | 54.2 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 174.5 | -174 | 179.4 | -178.4 | 0 | 0 | 111 | T571 V606 S608 L614 Y615 | T571-E611 WeakPolarHBondContact CB-OE1 3.33Å; T571-E611 WeakPolarHBondContact CG2-OE1 3.34Å; T571-E611 PolarHBondContact OG1-OE1 3.32Å; V606-E611 HydrophobicContact CG1-CB 4.07Å; V606-E611 HydrophobicContact CG1-CG 3.95Å; V606-E611 VanDerWaalsContact CG1-OE2 3.32Å; V606-E611 WeakPolarHBondContact CG1-OE2 3.41Å; S608-E611 PolarHBondContact O-N 3.28Å; S608-E611 PolarHBondContact OG-N 3.49Å; E611-L614 WeakPolarHBondContact O-CB 3.4Å; E611-L614 PolarHBondContact O-N 2.76Å; E611-Y615 HydrophobicContact CG-CD2 3.81Å; E611-Y615 HydrophobicContact CG-CE2 3.4Å; E611-Y615 VanDerWaalsContact CG-CE2 3.4Å; E611-Y615 WeakPolarHBondContact O-CD2 3.36Å; E611-Y615 PolarHBondContact O-N 3.29Å; E611-Y615 VanDerWaalsContact O-N 3.09Å |
| 612 | Q | 92.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.1 | -72.2 | -176.7 | -33.6 | 0 | 0 | 112.7 | L603 V606 S608 V610 L614 Y615 L616 R638 | L603-Q612 HydrophobicContact CD1-CB 4.47Å; L603-Q612 HydrophobicContact CD1-CG 4.01Å; L603-Q612 HydrophobicContact CG-CG 4.36Å; L603-Q612 PolarHBondContact O-NE2 3.33Å; V606-Q612 HydrophobicContact CB-CG 3.98Å; V606-Q612 HydrophobicContact CG1-CG 3.9Å; V606-Q612 PolarHBondContact O-NE2 3.33Å; S608-Q612 WeakPolarHBondContact O-CG 3.06Å; S608-Q612 PolarHBondContact O-N 3.01Å; V610-Q612 VanDerWaalsContact C-N 3.31Å; V610-Q612 PolarHBondContact O-N 2.59Å; Q612-L614 VanDerWaalsContact C-N 3.3Å; Q612-L614 PolarHBondContact O-N 2.84Å; Q612-Y615 PolarHBondContact O-N 2.96Å; Q612-L616 WeakPolarHBondContact O-CB 3.32Å; Q612-L616 WeakPolarHBondContact O-CD1 3.23Å; Q612-L616 WeakPolarHBondContact O-CG 3.4Å; Q612-L616 PolarHBondContact O-N 3.3Å; Q612-R638 VanDerWaalsContact CD-NH2 3.28Å |
| 613 | D | 92.4 | Very high | 91.8 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 179.1 | -160.7 | 63.4 | 0 | 0 | 0 | 110.9 | P609 V610 L616 G617 R627 K631 | P609-D613 WeakPolarHBondContact O-CB 3.41Å; P609-D613 PolarHBondContact O-N 3.4Å; V610-D613 PolarHBondContact O-N 2.8Å; D613-L616 PolarHBondContact O-N 3.49Å; D613-G617 PolarHBondContact O-N 3.5Å; D613-R627 PolarHBondContact O-NH2 3.2Å; D613-R627 IonicContact OD1-CZ 2.69Å; D613-R627 VanDerWaalsContact OD1-CZ 3.28Å; D613-R627 IonicContact OD1-NE 3.59Å; D613-R627 IonicContact OD1-NH1 2.61Å; D613-R627 PolarHBondContact OD1-NH1 3Å; D613-R627 IonicContact OD1-NH2 3.71Å; D613-R627 PolarHBondContact OD1-NH2 3.2Å; D613-R627 IonicContact OD2-CZ 3.24Å; D613-R627 IonicContact OD2-NH1 2.84Å; D613-R627 PolarHBondContact OD2-NH1 3.03Å; D613-R627 IonicContact OD2-NH2 3.44Å; D613-R627 PolarHBondContact OD2-NH2 3.44Å; D613-K631 VanDerWaalsContact OD1-CE 3.3Å; D613-K631 WeakPolarHBondContact OD1-CE 3.44Å; D613-K631 IonicContact OD1-NZ 2.69Å; D613-K631 PolarHBondContact OD1-NZ 3.47Å |
| 614 | L | 93.7 | Very high | 91.6 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 58% | 0.581 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -56.2 | -55.9 | 174.3 | -178.1 | 68 | 0 | 0 | 0 | 111.8 | V610 E611 Q612 L616 G617 Q618 | V610-L614 WeakPolarHBondContact O-CB 3.24Å; V610-L614 PolarHBondContact O-N 3.27Å; E611-L614 WeakPolarHBondContact O-CB 3.4Å; E611-L614 PolarHBondContact O-N 2.76Å; Q612-L614 VanDerWaalsContact C-N 3.3Å; Q612-L614 PolarHBondContact O-N 2.84Å; L614-L616 PolarHBondContact O-N 3.44Å; L614-G617 WeakPolarHBondContact O-CA 3.37Å; L614-G617 PolarHBondContact O-N 3.25Å; L614-Q618 PolarHBondContact O-N 3.15Å |
| 615 | Y | 95.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 64.8 Ų | 64.8 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.6 | -33.7 | -179.2 | -68.6 | -55.4 | 0 | 0 | 0 | 113.5 | T571 F573 A574 L603 E611 Q612 G617 Q618 L619 | T571-Y615 PolarHBondContact OG1-OH 3.42Å; T571-Y615 VanDerWaalsContact OG1-OH 3.05Å; F573-Y615 HydrophobicContact CB-CD2 4.31Å; F573-Y615 HydrophobicContact CB-CE2 3.99Å; F573-Y615 AromaticContact CD1-CD1 3.77Å; F573-Y615 HydrophobicContact CD1-CD1 3.77Å; F573-Y615 AromaticContact CD1-CD2 3.26Å; F573-Y615 HydrophobicContact CD1-CD2 3.26Å; F573-Y615 HydrophobicContact CD1-CE1 4.1Å; F573-Y615 AromaticContact CD1-CE2 3.58Å; F573-Y615 HydrophobicContact CD1-CE2 3.58Å; F573-Y615 AromaticContact CD1-CG 3.38Å; F573-Y615 HydrophobicContact CD1-CG 3.38Å; F573-Y615 AromaticContact CE1-CD1 3.95Å; F573-Y615 HydrophobicContact CE1-CD1 3.95Å; F573-Y615 AromaticContact CE1-CD2 3.88Å; F573-Y615 HydrophobicContact CE1-CD2 3.88Å; F573-Y615 AromaticContact CE1-CG 3.55Å; F573-Y615 HydrophobicContact CE1-CG 3.55Å; F573-Y615 AromaticContact CG-CD2 4Å; F573-Y615 HydrophobicContact CG-CD2 4Å; F573-Y615 HydrophobicContact CG-CE2 4.15Å; F573-Y615 HydrophobicContact CG-CG 4.49Å; A574-Y615 HydrophobicContact CB-CE1 4.26Å; L603-Y615 HydrophobicContact CD1-CD2 4.38Å; E611-Y615 HydrophobicContact CG-CD2 3.81Å; E611-Y615 HydrophobicContact CG-CE2 3.4Å; E611-Y615 VanDerWaalsContact CG-CE2 3.4Å; E611-Y615 WeakPolarHBondContact O-CD2 3.36Å; E611-Y615 PolarHBondContact O-N 3.29Å; E611-Y615 VanDerWaalsContact O-N 3.09Å; Q612-Y615 PolarHBondContact O-N 2.96Å; Y615-G617 VanDerWaalsContact C-N 3.26Å; Y615-G617 PolarHBondContact O-N 3.2Å; Y615-Q618 PolarHBondContact O-N 2.91Å; Y615-L619 WeakPolarHBondContact O-CB 3.35Å; Y615-L619 WeakPolarHBondContact O-CG 3.4Å; Y615-L619 PolarHBondContact O-N 2.84Å |
| 616 | L | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 170.6 | -71.8 | 167 | 0 | 0 | 0 | 112 | M600 L603 Q612 D613 L614 A620 R627 L630 K631 L634 | M600-L616 HydrophobicContact SD-CD2 4.45Å; L603-L616 HydrophobicContact CD2-CD2 3.84Å; L603-L616 HydrophobicContact CD2-CG 3.98Å; Q612-L616 WeakPolarHBondContact O-CB 3.32Å; Q612-L616 WeakPolarHBondContact O-CD1 3.23Å; Q612-L616 WeakPolarHBondContact O-CG 3.4Å; Q612-L616 PolarHBondContact O-N 3.3Å; D613-L616 PolarHBondContact O-N 3.49Å; L614-L616 PolarHBondContact O-N 3.44Å; L616-A620 WeakPolarHBondContact O-CB 3.45Å; L616-A620 PolarHBondContact O-N 3.27Å; L616-R627 HydrophobicContact CB-CG 4.45Å; L616-L630 HydrophobicContact CD2-CB 3.64Å; L616-K631 HydrophobicContact CD1-CG 3.76Å; L616-L634 HydrophobicContact CD1-CD2 4.05Å; L616-L634 HydrophobicContact CD2-CD2 4.48Å |
| 617 | G | 93.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D613 L614 Y615 A620 N621 | D613-G617 PolarHBondContact O-N 3.5Å; L614-G617 WeakPolarHBondContact O-CA 3.37Å; L614-G617 PolarHBondContact O-N 3.25Å; Y615-G617 VanDerWaalsContact C-N 3.26Å; Y615-G617 PolarHBondContact O-N 3.2Å; G617-A620 PolarHBondContact O-N 2.82Å; G617-N621 VanDerWaalsContact O-CG 3.28Å; G617-N621 PolarHBondContact O-N 3.13Å; G617-N621 VanDerWaalsContact O-N 3.12Å; G617-N621 PolarHBondContact O-ND2 2.78Å |
| 618 | Q | 93.3 | Very high | 92.1 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 176.8 | -175.8 | 170.3 | 3.2 | 0 | 0 | 112 | L614 Y615 N621 E622 | L614-Q618 PolarHBondContact O-N 3.15Å; Y615-Q618 PolarHBondContact O-N 2.91Å; Q618-N621 PolarHBondContact O-N 2.96Å; Q618-E622 WeakPolarHBondContact O-CB 3.37Å; Q618-E622 PolarHBondContact O-N 2.85Å |
| 619 | L | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 179.2 | -67.5 | 172.8 | 0 | 0 | 0 | 112.7 | M577 L596 L599 M600 Y615 N621 E622 F623 L630 | M577-L619 HydrophobicContact SD-CD2 4.27Å; L596-L619 HydrophobicContact CD2-CD2 4.47Å; L599-L619 HydrophobicContact CD1-CD1 4.16Å; L599-L619 HydrophobicContact CD1-CD2 3.74Å; M600-L619 HydrophobicContact CE-CD1 3.61Å; Y615-L619 WeakPolarHBondContact O-CB 3.35Å; Y615-L619 WeakPolarHBondContact O-CG 3.4Å; Y615-L619 PolarHBondContact O-N 2.84Å; L619-N621 VanDerWaalsContact C-N 3.33Å; L619-N621 PolarHBondContact O-N 2.87Å; L619-E622 PolarHBondContact O-N 3.44Å; L619-F623 HydrophobicContact CD2-CD2 4.11Å; L619-F623 HydrophobicContact CD2-CE2 3.79Å; L619-F623 WeakPolarHBondContact O-CD2 3.31Å; L619-F623 PolarHBondContact O-N 3.21Å; L619-L630 HydrophobicContact CB-CD1 3.89Å |
| 620 | A | 93.7 | Very high | 92.5 | Very high | 9 Ų | 9 | 62 Ų | 62 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L616 G617 H624 L625 R627 L630 | L616-A620 WeakPolarHBondContact O-CB 3.45Å; L616-A620 PolarHBondContact O-N 3.27Å; G617-A620 PolarHBondContact O-N 2.82Å; A620-H624 CarbonylContact O-C 3.57Å; A620-H624 VanDerWaalsContact O-CA 3.31Å; A620-H624 WeakPolarHBondContact O-CA 3.49Å; A620-H624 PolarHBondContact O-N 3.29Å; A620-H624 VanDerWaalsContact O-N 3.08Å; A620-L625 WeakPolarHBondContact CA-O 3.46Å; A620-L625 VanDerWaalsContact CB-O 3.31Å; A620-L625 WeakPolarHBondContact CB-O 3.41Å; A620-L625 PolarHBondContact O-N 3.25Å; A620-R627 HydrophobicContact CB-CB 4.46Å; A620-L630 HydrophobicContact CB-CD1 4.06Å |
| 621 | N | 93.3 | Very high | 92.5 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 66% | 0.663 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -69.5 | -45.4 | 178.4 | -69.1 | -16.2 | 0 | 0 | 0 | 112.3 | G617 Q618 L619 H624 | G617-N621 VanDerWaalsContact O-CG 3.28Å; G617-N621 PolarHBondContact O-N 3.13Å; G617-N621 VanDerWaalsContact O-N 3.12Å; G617-N621 PolarHBondContact O-ND2 2.78Å; Q618-N621 PolarHBondContact O-N 2.96Å; L619-N621 VanDerWaalsContact C-N 3.33Å; L619-N621 PolarHBondContact O-N 2.87Å; N621-H624 PolarHBondContact O-ND1 2.96Å |
| 622 | E | 90.8 | Very high | 92.6 | Very high | 78 Ų | 78 | 64 Ų | 64 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | -177.5 | -174.9 | 175 | 178.8 | 0 | 0 | 112.4 | K581 Q618 L619 | K581-E622 IonicContact NZ-OE1 2.79Å; K581-E622 PolarHBondContact NZ-OE1 3.05Å; K581-E622 IonicContact NZ-OE2 2.68Å; K581-E622 PolarHBondContact NZ-OE2 3.36Å; Q618-E622 WeakPolarHBondContact O-CB 3.37Å; Q618-E622 PolarHBondContact O-N 2.85Å; L619-E622 PolarHBondContact O-N 3.44Å |
| 623 | F | 90.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -100.6 | 6.4 | -175.8 | -64.6 | -77.6 | 0 | 0 | 0 | 114.2 | L586 R592 Y595 L596 L619 L625 | L586-F623 HydrophobicContact CD1-CE1 4.24Å; L586-F623 HydrophobicContact CD1-CZ 4.19Å; L586-F623 HydrophobicContact CD2-CE1 4.38Å; R592-F623 HydrophobicContact CG-CD1 3.76Å; R592-F623 HydrophobicContact CG-CE1 3.97Å; Y595-F623 HydrophobicContact CD1-CE1 4.4Å; Y595-F623 HydrophobicContact CD1-CE2 4.2Å; Y595-F623 AromaticContact CD1-CZ 3.69Å; Y595-F623 HydrophobicContact CD1-CZ 3.69Å; Y595-F623 AromaticContact CE1-CE2 3.78Å; Y595-F623 HydrophobicContact CE1-CE2 3.78Å; Y595-F623 AromaticContact CE1-CZ 3.51Å; Y595-F623 HydrophobicContact CE1-CZ 3.51Å; L596-F623 HydrophobicContact CD1-CG 4.46Å; L596-F623 HydrophobicContact CD2-CD2 3.87Å; L596-F623 HydrophobicContact CD2-CE2 4.15Å; L596-F623 HydrophobicContact CD2-CG 4.31Å; L619-F623 HydrophobicContact CD2-CD2 4.11Å; L619-F623 HydrophobicContact CD2-CE2 3.79Å; L619-F623 WeakPolarHBondContact O-CD2 3.31Å; L619-F623 PolarHBondContact O-N 3.21Å; F623-L625 VanDerWaalsContact C-N 3.26Å; F623-L625 HydrophobicContact CB-CD1 4.07Å; F623-L625 HydrophobicContact CB-CG 4.08Å; F623-L625 PolarHBondContact O-N 3.37Å |
| 624 | H | 89.3 | Confident | 92.5 | Very high | 171 Ų | 171 | 65.1 Ų | 65.1 | 79% | 0.792 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38.1 | -176.9 | -53.6 | -40.3 | 0 | 0 | 0 | 114 | A620 N621 | A620-H624 CarbonylContact O-C 3.57Å; A620-H624 VanDerWaalsContact O-CA 3.31Å; A620-H624 WeakPolarHBondContact O-CA 3.49Å; A620-H624 PolarHBondContact O-N 3.29Å; A620-H624 VanDerWaalsContact O-N 3.08Å; N621-H624 PolarHBondContact O-ND1 2.96Å |
| 625 | L | 91.5 | Very high | 92.4 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | trans | -100.3 | 155.3 | 178.7 | -64.4 | 176.9 | 0 | 0 | 0 | 111.1 | L596 A620 F623 L630 | L596-L625 HydrophobicContact CD1-CD1 3.6Å; A620-L625 WeakPolarHBondContact CA-O 3.46Å; A620-L625 VanDerWaalsContact CB-O 3.31Å; A620-L625 WeakPolarHBondContact CB-O 3.41Å; A620-L625 PolarHBondContact O-N 3.25Å; F623-L625 VanDerWaalsContact C-N 3.26Å; F623-L625 HydrophobicContact CB-CD1 4.07Å; F623-L625 HydrophobicContact CB-CG 4.08Å; F623-L625 PolarHBondContact O-N 3.37Å; L625-L630 HydrophobicContact CB-CD1 4.5Å; L625-L630 HydrophobicContact CB-CG 4.4Å; L625-L630 HydrophobicContact CD1-CD2 3.89Å | ||
| 626 | T | 92.7 | Very high | 92.2 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | trans | -73.8 | 141.3 | 172.9 | 68 | 0 | 0 | 0 | 0 | 110.5 | E628 S629 L630 | T626-E628 PolarHBondContact O-N 3.15Å; T626-E628 VanDerWaalsContact O-N 3.14Å; T626-S629 PolarHBondContact O-N 3.1Å; T626-S629 PolarHBondContact O-OG 3.05Å; T626-S629 PolarHBondContact OG1-N 3.18Å; T626-S629 PolarHBondContact OG1-OG 2.95Å; T626-L630 PolarHBondContact O-N 2.86Å | ||
| 627 | R | 91.5 | Very high | 91.9 | Very high | 96 Ų | 96 | 70.3 Ų | 70.3 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.4 | -23.8 | 176.2 | -151.1 | -178.8 | -161.4 | -157.5 | 7.5 | 112.4 | D613 L616 A620 K631 | D613-R627 PolarHBondContact O-NH2 3.2Å; D613-R627 IonicContact OD1-CZ 2.69Å; D613-R627 VanDerWaalsContact OD1-CZ 3.28Å; D613-R627 IonicContact OD1-NE 3.59Å; D613-R627 IonicContact OD1-NH1 2.61Å; D613-R627 PolarHBondContact OD1-NH1 3Å; D613-R627 IonicContact OD1-NH2 3.71Å; D613-R627 PolarHBondContact OD1-NH2 3.2Å; D613-R627 IonicContact OD2-CZ 3.24Å; D613-R627 IonicContact OD2-NH1 2.84Å; D613-R627 PolarHBondContact OD2-NH1 3.03Å; D613-R627 IonicContact OD2-NH2 3.44Å; D613-R627 PolarHBondContact OD2-NH2 3.44Å; L616-R627 HydrophobicContact CB-CG 4.45Å; A620-R627 HydrophobicContact CB-CB 4.46Å; R627-K631 WeakPolarHBondContact O-CB 3.28Å; R627-K631 VanDerWaalsContact O-CG 3.28Å; R627-K631 WeakPolarHBondContact O-CG 3.33Å; R627-K631 PolarHBondContact O-N 3.23Å |
| 628 | E | 91.9 | Very high | 91.7 | Very high | 145 Ų | 145 | 74.6 Ų | 74.6 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -72.5 | -43.3 | 176.5 | -62.8 | -173.9 | 145.2 | 0 | 0 | 112.6 | T626 L630 K631 Q632 | T626-E628 PolarHBondContact O-N 3.15Å; T626-E628 VanDerWaalsContact O-N 3.14Å; E628-L630 PolarHBondContact O-N 2.85Å; E628-K631 PolarHBondContact O-N 3.15Å; E628-Q632 WeakPolarHBondContact O-CG 3.4Å; E628-Q632 PolarHBondContact O-N 2.65Å |
| 629 | S | 91.6 | Very high | 91.4 | Very high | 47 Ų | 47 | 76 Ų | 76 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 179 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | T626 K631 Q632 Q633 | T626-S629 PolarHBondContact O-N 3.1Å; T626-S629 PolarHBondContact O-OG 3.05Å; T626-S629 PolarHBondContact OG1-N 3.18Å; T626-S629 PolarHBondContact OG1-OG 2.95Å; S629-K631 VanDerWaalsContact C-N 3.35Å; S629-K631 PolarHBondContact O-N 3.25Å; S629-Q632 PolarHBondContact O-N 2.78Å; S629-Q633 PolarHBondContact O-N 2.92Å |
| 630 | L | 92.8 | Very high | 91.1 | Very high | 8 Ų | 8 | 79.6 Ų | 79.6 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 174 | -63.8 | 178.3 | 0 | 0 | 0 | 112.3 | L616 L619 A620 L625 T626 E628 Q633 L634 | L616-L630 HydrophobicContact CD2-CB 3.64Å; L619-L630 HydrophobicContact CB-CD1 3.89Å; A620-L630 HydrophobicContact CB-CD1 4.06Å; L625-L630 HydrophobicContact CB-CD1 4.5Å; L625-L630 HydrophobicContact CB-CG 4.4Å; L625-L630 HydrophobicContact CD1-CD2 3.89Å; T626-L630 PolarHBondContact O-N 2.86Å; E628-L630 PolarHBondContact O-N 2.85Å; L630-Q633 PolarHBondContact O-N 3.08Å; L630-L634 WeakPolarHBondContact O-CB 3.48Å; L630-L634 PolarHBondContact O-N 3.31Å |
| 631 | K | 92.8 | Very high | 90.7 | Very high | 90 Ų | 90 | 81.4 Ų | 81.4 | 39% | 0.391 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.6 | -79.9 | 179.8 | -179.8 | -171 | 0 | 112.5 | D613 L616 R627 E628 S629 Q635 | D613-K631 VanDerWaalsContact OD1-CE 3.3Å; D613-K631 WeakPolarHBondContact OD1-CE 3.44Å; D613-K631 IonicContact OD1-NZ 2.69Å; D613-K631 PolarHBondContact OD1-NZ 3.47Å; L616-K631 HydrophobicContact CD1-CG 3.76Å; R627-K631 WeakPolarHBondContact O-CB 3.28Å; R627-K631 VanDerWaalsContact O-CG 3.28Å; R627-K631 WeakPolarHBondContact O-CG 3.33Å; R627-K631 PolarHBondContact O-N 3.23Å; E628-K631 PolarHBondContact O-N 3.15Å; S629-K631 VanDerWaalsContact C-N 3.35Å; S629-K631 PolarHBondContact O-N 3.25Å; K631-Q635 WeakPolarHBondContact O-CB 3.5Å; K631-Q635 PolarHBondContact O-N 3.18Å |
| 632 | Q | 92.2 | Very high | 90.2 | Very high | 116 Ų | 116 | 83.2 Ų | 83.2 | 54% | 0.542 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 173.5 | -70.9 | 174.7 | 2.3 | 0 | 0 | 111.2 | E628 S629 L634 Q635 M636 | E628-Q632 WeakPolarHBondContact O-CG 3.4Å; E628-Q632 PolarHBondContact O-N 2.65Å; S629-Q632 PolarHBondContact O-N 2.78Å; Q632-L634 PolarHBondContact O-N 3.11Å; Q632-Q635 WeakPolarHBondContact O-CB 3.27Å; Q632-Q635 PolarHBondContact O-N 3.45Å; Q632-Q635 VanDerWaalsContact O-N 3.14Å; Q632-M636 WeakPolarHBondContact O-CG 3.33Å; Q632-M636 PolarHBondContact O-N 3.38Å |
| 633 | Q | 91 | Very high | 89.7 | Confident | 77 Ų | 77 | 83 Ų | 83 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.7 | -172.1 | 65.1 | 6.2 | 0 | 0 | 112 | M600 S629 L630 Q635 M636 V637 | M600-Q633 HydrophobicContact CB-CG 4.42Å; M600-Q633 HydrophobicContact CG-CB 4.48Å; M600-Q633 HydrophobicContact CG-CG 3.87Å; S629-Q633 PolarHBondContact O-N 2.92Å; L630-Q633 PolarHBondContact O-N 3.08Å; Q633-Q635 VanDerWaalsContact C-N 3.26Å; Q633-Q635 PolarHBondContact O-N 3.35Å; Q633-M636 PolarHBondContact O-N 2.85Å; Q633-M636 VanDerWaalsContact O-N 3.15Å; Q633-V637 WeakPolarHBondContact O-CG2 3.5Å; Q633-V637 PolarHBondContact O-N 3.36Å |
| 634 | L | 92.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 86.8 Ų | 86.8 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 175.5 | -176.4 | 63.9 | 0 | 0 | 0 | 112.2 | M600 L603 A604 L616 L630 Q632 R638 | M600-L634 HydrophobicContact SD-CB 4.19Å; M600-L634 HydrophobicContact SD-CD1 4.49Å; L603-L634 HydrophobicContact CB-CD1 4.14Å; L603-L634 HydrophobicContact CD2-CD1 4.32Å; L603-L634 HydrophobicContact CD2-CD2 4.26Å; L603-L634 HydrophobicContact CG-CD1 4.12Å; L603-L634 HydrophobicContact CG-CD2 4.43Å; A604-L634 HydrophobicContact CB-CD1 3.96Å; L616-L634 HydrophobicContact CD1-CD2 4.05Å; L616-L634 HydrophobicContact CD2-CD2 4.48Å; L630-L634 WeakPolarHBondContact O-CB 3.48Å; L630-L634 PolarHBondContact O-N 3.31Å; Q632-L634 PolarHBondContact O-N 3.11Å; L634-R638 WeakPolarHBondContact O-CB 3.28Å; L634-R638 WeakPolarHBondContact O-CG 3.18Å; L634-R638 PolarHBondContact O-N 3.26Å; L634-R638 VanDerWaalsContact O-N 3.12Å |
| 635 | Q | 91.2 | Very high | 88.4 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.2 | -41 | 175.2 | -172 | 178.2 | 6.4 | 0 | 0 | 112 | K631 Q632 Q633 R638 Q639 | K631-Q635 WeakPolarHBondContact O-CB 3.5Å; K631-Q635 PolarHBondContact O-N 3.18Å; Q632-Q635 WeakPolarHBondContact O-CB 3.27Å; Q632-Q635 PolarHBondContact O-N 3.45Å; Q632-Q635 VanDerWaalsContact O-N 3.14Å; Q633-Q635 VanDerWaalsContact C-N 3.26Å; Q633-Q635 PolarHBondContact O-N 3.35Å; Q635-R638 PolarHBondContact O-N 3.42Å; Q635-Q639 WeakPolarHBondContact O-CG 3.38Å; Q635-Q639 PolarHBondContact O-N 2.86Å; Q635-Q639 VanDerWaalsContact O-N 3.1Å |
| 636 | M | 90.6 | Very high | 87.6 | Confident | 107 Ų | 107 | 91.4 Ų | 91.4 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 175 | -67.7 | -175.3 | -173.7 | 0 | 0 | 111.4 | Q632 Q633 R638 Q639 T640 | Q632-M636 WeakPolarHBondContact O-CG 3.33Å; Q632-M636 PolarHBondContact O-N 3.38Å; Q633-M636 PolarHBondContact O-N 2.85Å; Q633-M636 VanDerWaalsContact O-N 3.15Å; M636-R638 VanDerWaalsContact C-N 3.29Å; M636-R638 PolarHBondContact O-N 3.39Å; M636-Q639 WeakPolarHBondContact O-CA 3.43Å; M636-Q639 WeakPolarHBondContact O-CB 3.34Å; M636-Q639 PolarHBondContact O-N 3.11Å; M636-T640 PolarHBondContact O-N 3.5Å; M636-T640 PolarHBondContact O-OG1 2.89Å |
| 637 | V | 90.3 | Very high | 86.4 | Confident | 15 Ų | 15 | 94.4 Ų | 94.4 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.4 | -41 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | M600 Q601 A604 Q633 Q639 T640 I641 | M600-V637 HydrophobicContact CB-CG2 4.03Å; Q601-V637 HydrophobicContact CG-CG1 4.14Å; A604-V637 HydrophobicContact CB-CG1 3.94Å; Q633-V637 WeakPolarHBondContact O-CG2 3.5Å; Q633-V637 PolarHBondContact O-N 3.36Å; V637-Q639 VanDerWaalsContact C-N 3.34Å; V637-Q639 PolarHBondContact O-N 3.45Å; V637-T640 PolarHBondContact O-N 2.96Å; V637-I641 HydrophobicContact CG1-CD1 3.83Å; V637-I641 HydrophobicContact CG1-CG1 4.47Å; V637-I641 WeakPolarHBondContact O-CG1 3.37Å; V637-I641 PolarHBondContact O-N 2.88Å |
| 638 | R | 88.5 | Confident | 84.8 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 40% | 0.396 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 173 | -79.8 | 174 | 156.8 | 167 | -6.2 | 113.5 | A604 Q612 L634 Q635 M636 R642 | A604-R638 HydrophobicContact CB-CG 3.99Å; Q612-R638 VanDerWaalsContact CD-NH2 3.28Å; L634-R638 WeakPolarHBondContact O-CB 3.28Å; L634-R638 WeakPolarHBondContact O-CG 3.18Å; L634-R638 PolarHBondContact O-N 3.26Å; L634-R638 VanDerWaalsContact O-N 3.12Å; Q635-R638 PolarHBondContact O-N 3.42Å; M636-R638 VanDerWaalsContact C-N 3.29Å; M636-R638 PolarHBondContact O-N 3.39Å; R638-R642 VanDerWaalsContact O-CB 3.26Å; R638-R642 WeakPolarHBondContact O-CB 3.31Å; R638-R642 PolarHBondContact O-N 3.1Å |
| 639 | Q | 87.9 | Confident | 82.6 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 174.9 | -70.8 | 175 | 10.1 | 0 | 0 | 111.5 | Q635 M636 V637 R642 T643 | Q635-Q639 WeakPolarHBondContact O-CG 3.38Å; Q635-Q639 PolarHBondContact O-N 2.86Å; Q635-Q639 VanDerWaalsContact O-N 3.1Å; M636-Q639 WeakPolarHBondContact O-CA 3.43Å; M636-Q639 WeakPolarHBondContact O-CB 3.34Å; M636-Q639 PolarHBondContact O-N 3.11Å; V637-Q639 VanDerWaalsContact C-N 3.34Å; V637-Q639 PolarHBondContact O-N 3.45Å; Q639-R642 PolarHBondContact O-N 3.23Å; Q639-T643 WeakPolarHBondContact O-CB 3.4Å; Q639-T643 PolarHBondContact O-N 3.01Å; Q639-T643 PolarHBondContact O-OG1 2.94Å |
| 640 | T | 86.7 | Confident | 80.3 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 47% | 0.466 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -56.3 | 173.6 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | M636 V637 R642 T643 E644 | M636-T640 PolarHBondContact O-N 3.5Å; M636-T640 PolarHBondContact O-OG1 2.89Å; V637-T640 PolarHBondContact O-N 2.96Å; T640-R642 VanDerWaalsContact C-N 3.25Å; T640-R642 PolarHBondContact O-N 2.88Å; T640-T643 WeakPolarHBondContact O-CA 3.28Å; T640-T643 WeakPolarHBondContact O-CB 3.45Å; T640-T643 PolarHBondContact O-N 3.41Å; T640-E644 HydrophobicContact CG2-CG 4.47Å; T640-E644 WeakPolarHBondContact O-CG 3.22Å; T640-E644 PolarHBondContact O-N 2.87Å |
| 641 | I | 83.7 | Confident | 78 | Confident | 47 Ų | 47 | 104.5 Ų | 104.5 | 24% | 0.241 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -55.8 | -39.5 | 178.6 | -66.3 | 166.5 | 0 | 0 | 0 | 111.6 | A604 V637 T643 R645 | A604-I641 HydrophobicContact CB-CD1 3.79Å; V637-I641 HydrophobicContact CG1-CD1 3.83Å; V637-I641 HydrophobicContact CG1-CG1 4.47Å; V637-I641 WeakPolarHBondContact O-CG1 3.37Å; V637-I641 PolarHBondContact O-N 2.88Å; I641-T643 VanDerWaalsContact C-N 3.33Å; I641-R645 WeakPolarHBondContact O-CB 3.43Å; I641-R645 WeakPolarHBondContact O-CG 3.2Å; I641-R645 PolarHBondContact O-N 3.14Å |
| 642 | R | 83.2 | Confident | 75.6 | Confident | 162 Ų | 162 | 106 Ų | 106 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.6 | -31.9 | 176.7 | -173.3 | 179.5 | -176.6 | -170.1 | 3.1 | 112.7 | R638 Q639 T640 R646 | R638-R642 VanDerWaalsContact O-CB 3.26Å; R638-R642 WeakPolarHBondContact O-CB 3.31Å; R638-R642 PolarHBondContact O-N 3.1Å; Q639-R642 PolarHBondContact O-N 3.23Å; T640-R642 VanDerWaalsContact C-N 3.25Å; T640-R642 PolarHBondContact O-N 2.88Å; R642-R646 WeakPolarHBondContact O-CG 3.38Å; R642-R646 PolarHBondContact O-N 3.38Å |
| 643 | T | 80.6 | Confident | 73 | Confident | 73 Ų | 73 | 106 Ų | 106 | 45% | 0.448 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.3 | -44.3 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | Q639 T640 I641 R646 Q647 | Q639-T643 WeakPolarHBondContact O-CB 3.4Å; Q639-T643 PolarHBondContact O-N 3.01Å; Q639-T643 PolarHBondContact O-OG1 2.94Å; T640-T643 WeakPolarHBondContact O-CA 3.28Å; T640-T643 WeakPolarHBondContact O-CB 3.45Å; T640-T643 PolarHBondContact O-N 3.41Å; I641-T643 VanDerWaalsContact C-N 3.33Å; T643-R646 WeakPolarHBondContact O-CB 3.44Å; T643-R646 PolarHBondContact O-N 3.44Å; T643-R646 VanDerWaalsContact O-N 3.15Å; T643-Q647 WeakPolarHBondContact O-CG 3.44Å; T643-Q647 PolarHBondContact O-N 3.37Å |
| 644 | E | 80 | Confident | 70.3 | Confident | 93 Ų | 93 | 108 Ų | 108 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 172.4 | -68.6 | 169.7 | 169.1 | 0 | 0 | 111.6 | T640 R646 Q647 Q648 | T640-E644 HydrophobicContact CG2-CG 4.47Å; T640-E644 WeakPolarHBondContact O-CG 3.22Å; T640-E644 PolarHBondContact O-N 2.87Å; E644-R646 VanDerWaalsContact C-N 3.27Å; E644-R646 PolarHBondContact O-N 2.99Å; E644-Q647 PolarHBondContact O-N 3.31Å; E644-Q648 WeakPolarHBondContact O-CG 3.48Å; E644-Q648 PolarHBondContact O-N 3.26Å |
| 645 | R | 74.1 | Confident | 67.5 | Low | 162 Ų | 162 | 111.3 Ų | 111.3 | 61% | 0.611 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.8 | -38.1 | 174.7 | -77.6 | -177.2 | 177 | -163.7 | -1.2 | 112.4 | I641 Q649 | I641-R645 WeakPolarHBondContact O-CB 3.43Å; I641-R645 WeakPolarHBondContact O-CG 3.2Å; I641-R645 PolarHBondContact O-N 3.14Å; R645-Q649 WeakPolarHBondContact O-CB 3.37Å; R645-Q649 WeakPolarHBondContact O-CG 3.2Å; R645-Q649 PolarHBondContact O-N 3.48Å |
| 646 | R | 73.6 | Confident | 64.7 | Low | 172 Ų | 172 | 110.6 Ų | 110.6 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.9 | -31.2 | 175.2 | -84 | 177.4 | 164.2 | -175.4 | -6.9 | 113.7 | R642 T643 E644 | R642-R646 WeakPolarHBondContact O-CG 3.38Å; R642-R646 PolarHBondContact O-N 3.38Å; T643-R646 WeakPolarHBondContact O-CB 3.44Å; T643-R646 PolarHBondContact O-N 3.44Å; T643-R646 VanDerWaalsContact O-N 3.15Å; E644-R646 VanDerWaalsContact C-N 3.27Å; E644-R646 PolarHBondContact O-N 2.99Å |
| 647 | Q | 68.4 | Low | 61.9 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 70% | 0.701 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.3 | -36.5 | 176.2 | -70.8 | 176.3 | 1.4 | 0 | 0 | 112 | T643 E644 | T643-Q647 WeakPolarHBondContact O-CG 3.44Å; T643-Q647 PolarHBondContact O-N 3.37Å; E644-Q647 PolarHBondContact O-N 3.31Å |
| 648 | Q | 57.5 | Low | 59.1 | Low | 161 Ų | 161 | 118 Ų | 118 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75 | -32.2 | 175.4 | -67.8 | 175.7 | 0.5 | 0 | 0 | 112.4 | E644 A650 | E644-Q648 WeakPolarHBondContact O-CG 3.48Å; E644-Q648 PolarHBondContact O-N 3.26Å; Q648-A650 PolarHBondContact O-N 2.87Å; Q648-A650 VanDerWaalsContact O-N 3.12Å |
| 649 | Q | 45.2 | Very low | 56.8 | Low | 147 Ų | 147 | 116.4 Ų | 116.4 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | trans | -86 | 53.2 | 175.6 | -65.7 | 177.2 | -11 | 0 | 0 | 112.6 | R645 | R645-Q649 WeakPolarHBondContact O-CB 3.37Å; R645-Q649 WeakPolarHBondContact O-CG 3.2Å; R645-Q649 PolarHBondContact O-N 3.48Å | ||
| 650 | A | 43.9 | Very low | 54.5 | Low | 67 Ų | 67 | 117.6 Ų | 117.6 | 55% | 0.554 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -64.2 | 138.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q648 V652 | Q648-A650 PolarHBondContact O-N 2.87Å; Q648-A650 VanDerWaalsContact O-N 3.12Å; A650-V652 PolarHBondContact O-N 3.37Å |
| 651 | P | 43.4 | Very low | 52.8 | Low | 134 Ų | 134 | 120.2 Ų | 120.2 | 87% | 0.87 | 65% | 0.646 | S | S | * | * | trans | -74.1 | 88.9 | -164.9 | 28.9 | -35.8 | 0 | 0 | 0 | 112.8 | S653 | P651-S653 PolarHBondContact O-N 3.3Š| ||
| 652 | V | 42.2 | Very low | 51.8 | Low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 66% | 0.664 | S | S | * | * | trans | -80.3 | 104.9 | 159.5 | -177.8 | 0 | 0 | 0 | 0 | 107.6 | A650 T654 | A650-V652 PolarHBondContact O-N 3.37Å; V652-T654 VanDerWaalsContact C-N 3.29Å; V652-T654 HydrophobicContact CG1-CG2 4.29Å; V652-T654 PolarHBondContact O-N 2.81Å | ||
| 653 | S | 39.6 | Very low | 51.4 | Low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 67% | 0.671 | S | S | * | * | trans | -73.9 | 79.1 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | P651 | P651-S653 PolarHBondContact O-N 3.3Š| ||
| 654 | T | 33.9 | Very low | 51.5 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | trans | -101.2 | 76.6 | 159.2 | 41.9 | 0 | 0 | 0 | 0 | 109.3 | V652 | V652-T654 VanDerWaalsContact C-N 3.29Å; V652-T654 HydrophobicContact CG1-CG2 4.29Å; V652-T654 PolarHBondContact O-N 2.81Å | ||
| 655 | A | 32.5 | Very low | 51.9 | Low | 78 Ų | 78 | 120.8 Ų | 120.8 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | trans | -56.8 | 129.6 | 158 | 0 | 0 | 0 | 0 | 0 | 107.2 | T657 | A655-T657 PolarHBondContact O-N 2.81Š| ||
| 656 | P | 33.4 | Very low | 52.5 | Low | 104 Ų | 104 | 119 Ų | 119 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | trans | -58.4 | 140.1 | 177.2 | 25.1 | -33.5 | 0 | 0 | 0 | 108.7 | Q658 | P656-Q658 PolarHBondContact O-N 3.08Š| ||
| 657 | T | 31.1 | Very low | 53.3 | Low | 143 Ų | 143 | 113 Ų | 113 | 88% | 0.877 | 63% | 0.632 | S | S | * | * | trans | -66.8 | 76.1 | 176.9 | -43.1 | 0 | 0 | 0 | 0 | 109.6 | A655 S659 | A655-T657 PolarHBondContact O-N 2.81Å; T657-S659 PolarHBondContact O-N 3.32Å | ||
| 658 | Q | 32.5 | Very low | 54.4 | Low | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | -53 | 127.4 | 159.7 | -65.4 | -174.7 | 5.1 | 0 | 0 | 105.7 | P656 V660 | P656-Q658 PolarHBondContact O-N 3.08Å; Q658-V660 PolarHBondContact O-N 3.37Å; Q658-V660 VanDerWaalsContact O-N 3.11Å | ||
| 659 | S | 40.5 | Very low | 56 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | trans | -41.4 | 123.4 | 166.4 | 39.6 | 0 | 0 | 0 | 0 | 107.3 | G261 T657 K661 | G261-S659 PolarHBondContact O-OG 2.94Å; T657-S659 PolarHBondContact O-N 3.32Å; S659-K661 VanDerWaalsContact C-N 3.29Å; S659-K661 PolarHBondContact O-N 3.5Å | ||
| 660 | V | 39.7 | Very low | 58.2 | Low | 137 Ų | 137 | 96.6 Ų | 96.6 | 83% | 0.83 | 56% | 0.555 | S | S | * | * | trans | -63 | 95.4 | -169.1 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | Q658 R662 | Q658-V660 PolarHBondContact O-N 3.37Å; Q658-V660 VanDerWaalsContact O-N 3.11Å; V660-R662 PolarHBondContact O-N 2.93Å | ||
| 661 | K | 49.9 | Very low | 60.7 | Low | 132 Ų | 132 | 93.4 Ų | 93.4 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | trans | -59.2 | 108.7 | -178.2 | -69.3 | -172.3 | 177.2 | -174.6 | 0 | 106.4 | S659 V663 | S659-K661 VanDerWaalsContact C-N 3.29Å; S659-K661 PolarHBondContact O-N 3.5Å; K661-V663 PolarHBondContact O-N 3.2Å | ||
| 662 | R | 63 | Low | 63.1 | Low | 161 Ų | 161 | 88.3 Ų | 88.3 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | trans | -52.6 | 107.6 | 176.7 | 176.2 | 176.8 | 169.6 | 157.5 | -0.9 | 106.9 | V660 L664 E668 | V660-R662 PolarHBondContact O-N 2.93Å; R662-L664 PolarHBondContact O-N 3.03Å; R662-E668 IonicContact CZ-OE1 3.69Å; R662-E668 IonicContact NE-OE1 2.61Å; R662-E668 PolarHBondContact NE-OE1 3.32Å; R662-E668 IonicContact NH2-OE1 2.75Å; R662-E668 PolarHBondContact NH2-OE1 2.82Å | ||
| 663 | V | 74.7 | Confident | 65.6 | Low | 128 Ų | 128 | 85.4 Ų | 85.4 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | trans | -70.4 | 103.1 | -178.4 | 177.9 | 0 | 0 | 0 | 0 | 106.4 | K661 T665 | K661-V663 PolarHBondContact O-N 3.2Å; V663-T665 PolarHBondContact O-N 3.45Å | ||
| 664 | L | 83.6 | Confident | 68.2 | Low | 40 Ų | 40 | 79.9 Ų | 79.9 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | trans | -57.5 | 132.1 | -177.6 | -61.7 | 174 | 0 | 0 | 0 | 110.5 | R662 E668 K669 | R662-L664 PolarHBondContact O-N 3.03Å; L664-E668 VanDerWaalsContact CA-OE2 3.28Å; L664-E668 WeakPolarHBondContact CA-OE2 3.42Å; L664-E668 HydrophobicContact CB-CB 4.12Å; L664-E668 HydrophobicContact CD2-CB 4.09Å; L664-K669 HydrophobicContact CB-CG 3.91Å; L664-K669 HydrophobicContact CD1-CG 4.48Å; L664-K669 WeakPolarHBondContact O-CE 3.47Å; L664-K669 PolarHBondContact O-NZ 3.38Å | ||
| 665 | T | 88.1 | Confident | 71.1 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | trans | -62.2 | 172.2 | 173.6 | 67.3 | 0 | 0 | 0 | 0 | 110.9 | V663 E667 E668 K669 | V663-T665 PolarHBondContact O-N 3.45Å; T665-E667 WeakPolarHBondContact CB-OE2 3.32Å; T665-E667 PolarHBondContact O-N 3.41Å; T665-E667 PolarHBondContact OG1-N 2.98Å; T665-E668 PolarHBondContact N-OE2 3.11Å; T665-E668 WeakPolarHBondContact OG1-CG 3.23Å; T665-E668 PolarHBondContact OG1-N 3.28Å; T665-K669 WeakPolarHBondContact O-CD 3.44Å; T665-K669 VanDerWaalsContact O-CG 3.29Å; T665-K669 WeakPolarHBondContact O-CG 3.36Å; T665-K669 PolarHBondContact O-N 3.11Å; T665-K669 VanDerWaalsContact O-N 3.17Å | ||
| 666 | K | 87.2 | Confident | 74.1 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 174.8 | 178.9 | -164.6 | 167.2 | -149.6 | 0 | 110 | A670 V758 | K666-A670 PolarHBondContact O-N 3.28Å; K666-V758 HydrophobicContact CD-CG1 4.39Å; K666-V758 HydrophobicContact CG-CG1 4.34Å |
| 667 | E | 88.9 | Confident | 76.9 | Confident | 44 Ų | 44 | 67 Ų | 67 | 21% | 0.206 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.1 | -56.8 | 178.5 | -65.1 | 61.2 | -139 | 0 | 0 | 110 | T665 K669 A670 E671 I696 S762 | T665-E667 WeakPolarHBondContact CB-OE2 3.32Å; T665-E667 PolarHBondContact O-N 3.41Å; T665-E667 PolarHBondContact OG1-N 2.98Å; E667-K669 PolarHBondContact O-N 3.23Å; E667-K669 VanDerWaalsContact O-N 3.16Å; E667-A670 WeakPolarHBondContact O-CA 3.47Å; E667-A670 WeakPolarHBondContact O-CB 3.17Å; E667-A670 PolarHBondContact O-N 3.21Å; E667-E671 WeakPolarHBondContact O-CG 3.28Å; E667-E671 PolarHBondContact O-N 2.84Å; E667-I696 HydrophobicContact CB-CD1 3.79Å; E667-I696 HydrophobicContact CG-CD1 3.73Å; E667-S762 PolarHBondContact OE1-OG 2.97Å |
| 668 | E | 91.1 | Very high | 79.9 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -34.6 | 178.6 | -72 | 176.2 | 119.1 | 0 | 0 | 112.3 | R662 L664 T665 E671 R672 Y700 | R662-E668 IonicContact CZ-OE1 3.69Å; R662-E668 IonicContact NE-OE1 2.61Å; R662-E668 PolarHBondContact NE-OE1 3.32Å; R662-E668 IonicContact NH2-OE1 2.75Å; R662-E668 PolarHBondContact NH2-OE1 2.82Å; L664-E668 VanDerWaalsContact CA-OE2 3.28Å; L664-E668 WeakPolarHBondContact CA-OE2 3.42Å; L664-E668 HydrophobicContact CB-CB 4.12Å; L664-E668 HydrophobicContact CD2-CB 4.09Å; T665-E668 PolarHBondContact N-OE2 3.11Å; T665-E668 WeakPolarHBondContact OG1-CG 3.23Å; T665-E668 PolarHBondContact OG1-N 3.28Å; E668-E671 WeakPolarHBondContact CA-OE2 3.48Å; E668-R672 VanDerWaalsContact O-CB 3.3Å; E668-R672 WeakPolarHBondContact O-CB 3.28Å; E668-R672 VanDerWaalsContact O-CG 3.23Å; E668-R672 WeakPolarHBondContact O-CG 3.17Å; E668-R672 PolarHBondContact O-N 3.35Å; E668-Y700 HydrophobicContact CB-CE2 4.43Å; E668-Y700 HydrophobicContact CG-CE2 4.17Å |
| 669 | K | 91.7 | Very high | 82.6 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 173.5 | -74 | 168 | -176 | 159.6 | 0 | 111.7 | L664 T665 E667 R672 M673 | L664-K669 HydrophobicContact CB-CG 3.91Å; L664-K669 HydrophobicContact CD1-CG 4.48Å; L664-K669 WeakPolarHBondContact O-CE 3.47Å; L664-K669 PolarHBondContact O-NZ 3.38Å; T665-K669 WeakPolarHBondContact O-CD 3.44Å; T665-K669 VanDerWaalsContact O-CG 3.29Å; T665-K669 WeakPolarHBondContact O-CG 3.36Å; T665-K669 PolarHBondContact O-N 3.11Å; T665-K669 VanDerWaalsContact O-N 3.17Å; E667-K669 PolarHBondContact O-N 3.23Å; E667-K669 VanDerWaalsContact O-N 3.16Å; K669-R672 PolarHBondContact O-N 2.94Å; K669-M673 WeakPolarHBondContact O-CB 3.47Å; K669-M673 WeakPolarHBondContact O-CG 3.42Å; K669-M673 PolarHBondContact O-N 3.48Å |
| 670 | A | 92.5 | Very high | 84.9 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K666 E667 M673 L674 L755 V758 I759 | K666-A670 PolarHBondContact O-N 3.28Å; E667-A670 WeakPolarHBondContact O-CA 3.47Å; E667-A670 WeakPolarHBondContact O-CB 3.17Å; E667-A670 PolarHBondContact O-N 3.21Å; A670-M673 PolarHBondContact O-N 2.8Å; A670-L674 WeakPolarHBondContact O-CB 3.37Å; A670-L674 PolarHBondContact O-N 3.41Å; A670-L755 HydrophobicContact CB-CD2 3.95Å; A670-V758 HydrophobicContact CB-CB 4.27Å; A670-V758 HydrophobicContact CB-CG1 3.82Å; A670-I759 HydrophobicContact CB-CD1 4.35Å; A670-I759 HydrophobicContact CB-CG1 3.95Å |
| 671 | E | 94.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 177 | -66.8 | 173.8 | 112.4 | 0 | 0 | 112 | E667 E668 M673 L674 L675 F695 I696 H697 Y700 I759 | E667-E671 WeakPolarHBondContact O-CG 3.28Å; E667-E671 PolarHBondContact O-N 2.84Å; E668-E671 WeakPolarHBondContact CA-OE2 3.48Å; E671-M673 PolarHBondContact O-N 2.88Å; E671-L674 PolarHBondContact O-N 2.82Å; E671-L675 WeakPolarHBondContact O-CB 3.26Å; E671-L675 WeakPolarHBondContact O-CG 3.25Å; E671-L675 PolarHBondContact O-N 2.99Å; E671-F695 HydrophobicContact CB-CD1 3.73Å; E671-F695 HydrophobicContact CB-CE1 3.91Å; E671-F695 HydrophobicContact CG-CD1 3.65Å; E671-F695 HydrophobicContact CG-CE1 4.19Å; E671-I696 WeakPolarHBondContact OE1-CA 3.22Å; E671-I696 WeakPolarHBondContact OE1-CB 3.41Å; E671-I696 PolarHBondContact OE1-N 2.71Å; E671-H697 PolarHBondContact OE1-N 3.21Å; E671-H697 IonicContact OE1-ND1 2.75Å; E671-H697 PolarHBondContact OE1-ND1 3.17Å; E671-H697 IonicContact OE2-CE1 3.86Å; E671-H697 PolarHBondContact OE2-CE1 2.99Å; E671-H697 VanDerWaalsContact OE2-CE1 3.32Å; E671-H697 IonicContact OE2-CG 2.66Å; E671-H697 IonicContact OE2-ND1 2.67Å; E671-H697 PolarHBondContact OE2-ND1 3.44Å; E671-Y700 HydrophobicContact CB-CD2 3.69Å; E671-Y700 HydrophobicContact CB-CE2 4.01Å; E671-Y700 HydrophobicContact CB-CG 4.06Å; E671-Y700 HydrophobicContact CG-CD2 4.13Å; E671-Y700 WeakPolarHBondContact OE1-CD2 3.07Å; E671-Y700 WeakPolarHBondContact OE2-CD2 3.38Å; E671-Y700 WeakPolarHBondContact OE2-CE2 3.3Å; E671-I759 HydrophobicContact CB-CD1 4.49Å; E671-I759 HydrophobicContact CG-CD1 3.9Å; E671-I759 HydrophobicContact CG-CG1 3.87Å; E671-I759 HydrophobicContact CG-CG2 4.38Å |
| 672 | R | 95.2 | Very high | 89.1 | Confident | 28 Ų | 28 | 45.9 Ų | 45.9 | 11% | 0.106 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -38.5 | 176.3 | -73.7 | -174.3 | -176.1 | -147.3 | -2.1 | 112.7 | E668 K669 Y676 Y700 L734 D737 I738 I741 | E668-R672 VanDerWaalsContact O-CB 3.3Å; E668-R672 WeakPolarHBondContact O-CB 3.28Å; E668-R672 VanDerWaalsContact O-CG 3.23Å; E668-R672 WeakPolarHBondContact O-CG 3.17Å; E668-R672 PolarHBondContact O-N 3.35Å; K669-R672 PolarHBondContact O-N 2.94Å; R672-Y676 WeakPolarHBondContact O-CB 3.4Å; R672-Y676 PolarHBondContact O-N 2.91Å; R672-Y700 HydrophobicContact CG-CE1 3.62Å; R672-Y700 PolarHBondContact NE-OH 2.89Å; R672-L734 VanDerWaalsContact NH2-CD1 3.25Å; R672-D737 IonicContact CZ-OD2 3.46Å; R672-D737 IonicContact NH1-OD2 2.7Å; R672-D737 PolarHBondContact NH1-OD2 2.94Å; R672-D737 IonicContact NH2-OD2 2.68Å; R672-I738 HydrophobicContact CB-CG1 3.98Å; R672-I738 HydrophobicContact CG-CD1 4.1Å; R672-I738 HydrophobicContact CG-CG1 3.77Å; R672-I741 HydrophobicContact CB-CD1 3.96Å |
| 673 | M | 94.1 | Very high | 90.3 | Very high | 59 Ų | 59 | 42 Ų | 42 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 174.4 | -72.8 | 174 | 68.9 | 0 | 0 | 111.9 | K669 A670 E671 Y676 R677 M743 L755 | K669-M673 WeakPolarHBondContact O-CB 3.47Å; K669-M673 WeakPolarHBondContact O-CG 3.42Å; K669-M673 PolarHBondContact O-N 3.48Å; A670-M673 PolarHBondContact O-N 2.8Å; E671-M673 PolarHBondContact O-N 2.88Å; M673-Y676 WeakPolarHBondContact O-CB 3.2Å; M673-Y676 PolarHBondContact O-N 3.16Å; M673-R677 WeakPolarHBondContact O-CG 3.25Å; M673-R677 PolarHBondContact O-N 3.24Å; M673-M743 HydrophobicContact CB-CE 4.24Å; M673-M743 HydrophobicContact CB-SD 4.09Å; M673-M743 HydrophobicContact CE-CE 3.66Å; M673-M743 HydrophobicContact CE-SD 4.17Å; M673-M743 HydrophobicContact CG-CE 4.33Å; M673-M743 HydrophobicContact CG-SD 3.84Å; M673-L755 HydrophobicContact CB-CD1 4.04Å; M673-L755 HydrophobicContact CB-CD2 3.92Å; M673-L755 HydrophobicContact CE-CD2 4.25Å; M673-L755 HydrophobicContact SD-CD2 4.24Å |
| 674 | L | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.7 | -38.3 | 177.6 | -172.9 | 59.7 | 0 | 0 | 0 | 111.9 | A670 E671 R677 C678 I684 L688 F693 F695 I752 L755 M756 I759 | A670-L674 WeakPolarHBondContact O-CB 3.37Å; A670-L674 PolarHBondContact O-N 3.41Å; E671-L674 PolarHBondContact O-N 2.82Å; L674-R677 WeakPolarHBondContact O-CB 3.24Å; L674-R677 PolarHBondContact O-N 3.23Å; L674-C678 PolarHBondContact O-N 3.09Å; L674-C678 PolarHBondContact O-SG 3.19Å; L674-I684 HydrophobicContact CD1-CG2 4.2Å; L674-L688 HydrophobicContact CD1-CD1 4.07Å; L674-L688 HydrophobicContact CD2-CD1 3.73Å; L674-L688 HydrophobicContact CD2-CD2 4.42Å; L674-L688 HydrophobicContact CG-CD1 3.76Å; L674-F693 HydrophobicContact CD2-CD1 4.45Å; L674-F693 HydrophobicContact CD2-CE1 3.77Å; L674-F693 HydrophobicContact CD2-CZ 4.07Å; L674-F695 HydrophobicContact CB-CZ 4.45Å; L674-F695 HydrophobicContact CD2-CE1 4.4Å; L674-F695 HydrophobicContact CD2-CZ 3.92Å; L674-F695 HydrophobicContact CG-CZ 4.19Å; L674-I752 HydrophobicContact CD1-CG2 4.17Å; L674-L755 HydrophobicContact CB-CD1 4.47Å; L674-M756 HydrophobicContact CD1-CG 4.46Å; L674-M756 HydrophobicContact CD2-CG 4.05Å; L674-I759 HydrophobicContact CB-CD1 4.24Å; L674-I759 HydrophobicContact CD2-CD1 3.59Å |
| 675 | L | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 172.4 | -76.9 | 167.8 | 0 | 0 | 0 | 112.6 | E671 R677 C678 M679 F695 Y700 L703 L704 I738 | E671-L675 WeakPolarHBondContact O-CB 3.26Å; E671-L675 WeakPolarHBondContact O-CG 3.25Å; E671-L675 PolarHBondContact O-N 2.99Å; L675-R677 PolarHBondContact O-N 2.78Å; L675-C678 PolarHBondContact O-N 3.49Å; L675-C678 VanDerWaalsContact O-N 3.14Å; L675-M679 WeakPolarHBondContact O-CG 3.24Å; L675-M679 PolarHBondContact O-N 3.42Å; L675-F695 HydrophobicContact CD1-CE1 4.16Å; L675-F695 HydrophobicContact CD2-CE1 4.39Å; L675-F695 HydrophobicContact CD2-CZ 4.09Å; L675-F695 HydrophobicContact CG-CE1 3.83Å; L675-F695 HydrophobicContact CG-CZ 3.95Å; L675-Y700 HydrophobicContact CD1-CD1 3.52Å; L675-Y700 HydrophobicContact CD1-CG 3.97Å; L675-L703 HydrophobicContact CD1-CD2 4.03Å; L675-L703 HydrophobicContact CD1-CG 4.4Å; L675-L703 HydrophobicContact CD2-CG 4.45Å; L675-L704 HydrophobicContact CD2-CB 4.2Å; L675-I738 HydrophobicContact CB-CD1 4.29Å; L675-I738 HydrophobicContact CD1-CD1 4.13Å |
| 676 | Y | 94 | Very high | 91.5 | Very high | 30 Ų | 30 | 36.3 Ų | 36.3 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.2 | -41.8 | 170.9 | 178.2 | -91.5 | 0 | 0 | 0 | 111.3 | R672 M673 M679 N680 I738 M743 | R672-Y676 WeakPolarHBondContact O-CB 3.4Å; R672-Y676 PolarHBondContact O-N 2.91Å; M673-Y676 WeakPolarHBondContact O-CB 3.2Å; M673-Y676 PolarHBondContact O-N 3.16Å; Y676-M679 PolarHBondContact O-N 2.56Å; Y676-N680 PolarHBondContact O-N 2.64Å; Y676-N680 PolarHBondContact O-ND2 2.9Å; Y676-I738 HydrophobicContact CD2-CG2 4.49Å; Y676-I738 WeakPolarHBondContact CD2-O 3.32Å; Y676-M743 HydrophobicContact CD1-CB 4.33Å; Y676-M743 HydrophobicContact CD1-CE 4.38Å; Y676-M743 HydrophobicContact CD1-CG 4.33Å; Y676-M743 HydrophobicContact CD1-SD 3.58Å; Y676-M743 VanDerWaalsContact CD1-SD 3.58Å; Y676-M743 HydrophobicContact CE1-CB 3.85Å; Y676-M743 HydrophobicContact CE1-CG 4.28Å; Y676-M743 HydrophobicContact CE1-SD 4.12Å; Y676-M743 HydrophobicContact CG-SD 4.1Å |
| 677 | R | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -46 | 173.2 | -68.6 | -70.5 | -175.9 | -156.2 | -3.4 | 112 | M673 L674 L675 M679 N680 E681 I684 M743 S744 E745 D746 S747 E751 I752 | M673-R677 WeakPolarHBondContact O-CG 3.25Å; M673-R677 PolarHBondContact O-N 3.24Å; L674-R677 WeakPolarHBondContact O-CB 3.24Å; L674-R677 PolarHBondContact O-N 3.23Å; L675-R677 PolarHBondContact O-N 2.78Å; R677-M679 VanDerWaalsContact C-N 3.25Å; R677-M679 PolarHBondContact O-N 3.12Å; R677-N680 PolarHBondContact O-N 3.04Å; R677-N680 VanDerWaalsContact O-N 3.15Å; R677-E681 WeakPolarHBondContact CD-OE1 3.29Å; R677-E681 IonicContact CZ-OE1 3.16Å; R677-E681 IonicContact NE-OE1 2.8Å; R677-E681 IonicContact NH1-OE1 3.37Å; R677-E681 PolarHBondContact NH1-OE1 3.37Å; R677-E681 WeakPolarHBondContact O-CB 3.37Å; R677-E681 PolarHBondContact O-N 3.22Å; R677-I684 HydrophobicContact CB-CD1 3.92Å; R677-I684 HydrophobicContact CB-CG2 4.4Å; R677-M743 HydrophobicContact CG-CE 4.5Å; R677-S744 PolarHBondContact NH1-O 3.03Å; R677-S744 VanDerWaalsContact NH1-O 3.09Å; R677-S744 PolarHBondContact NH2-O 2.93Å; R677-S744 PolarHBondContact NH2-OG 2.92Å; R677-S744 VanDerWaalsContact NH2-OG 3.1Å; R677-E745 PolarHBondContact NH1-O 3.37Å; R677-E745 VanDerWaalsContact NH1-O 3.11Å; R677-D746 VanDerWaalsContact NH1-C 3.28Å; R677-D746 PolarHBondContact NH1-O 3.03Å; R677-D746 PolarHBondContact NH2-O 2.92Å; R677-D746 VanDerWaalsContact NH2-O 3.1Å; R677-S747 VanDerWaalsContact CZ-CA 3.49Å; R677-E751 IonicContact CZ-OE1 2.95Å; R677-E751 IonicContact CZ-OE2 2.73Å; R677-E751 IonicContact NE-OE1 3.83Å; R677-E751 PolarHBondContact NE-OE1 2.88Å; R677-E751 IonicContact NE-OE2 3.27Å; R677-E751 IonicContact NH2-OE1 2.71Å; R677-E751 PolarHBondContact NH2-OE1 3.3Å; R677-E751 IonicContact NH2-OE2 3.74Å; R677-E751 PolarHBondContact NH2-OE2 3.21Å; R677-I752 HydrophobicContact CB-CD1 4.13Å; R677-I752 HydrophobicContact CG-CD1 3.73Å |
| 678 | C | 92.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -30.4 | 177.3 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | L674 L675 R685 L688 L704 L707 | L674-C678 PolarHBondContact O-N 3.09Å; L674-C678 PolarHBondContact O-SG 3.19Å; L675-C678 PolarHBondContact O-N 3.49Å; L675-C678 VanDerWaalsContact O-N 3.14Å; C678-R685 HydrophobicContact CB-CB 3.96Å; C678-R685 HydrophobicContact CB-CG 4.35Å; C678-L688 VanDerWaalsContact SG-CD1 3.5Å; C678-L704 HydrophobicContact CB-CD1 4.46Å; C678-L707 HydrophobicContact CB-CD2 3.74Å |
| 679 | M | 90.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.02 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.2 | -39.8 | 175.6 | -72.4 | 173.1 | -171.8 | 0 | 0 | 111.9 | L675 Y676 R677 L703 L707 F717 V735 I738 | L675-M679 WeakPolarHBondContact O-CG 3.24Å; L675-M679 PolarHBondContact O-N 3.42Å; Y676-M679 PolarHBondContact O-N 2.56Å; R677-M679 VanDerWaalsContact C-N 3.25Å; R677-M679 PolarHBondContact O-N 3.12Å; M679-L703 HydrophobicContact CE-CD2 4.14Å; M679-L707 HydrophobicContact CG-CD1 4.21Å; M679-L707 HydrophobicContact CG-CD2 3.89Å; M679-F717 HydrophobicContact CB-CD1 4Å; M679-F717 HydrophobicContact CB-CE1 3.74Å; M679-F717 HydrophobicContact CB-CE2 4.26Å; M679-F717 HydrophobicContact CB-CG 4.38Å; M679-F717 HydrophobicContact CB-CZ 3.87Å; M679-F717 HydrophobicContact CG-CE1 4.13Å; M679-F717 HydrophobicContact CG-CE2 4Å; M679-F717 HydrophobicContact CG-CZ 3.73Å; M679-F717 WeakPolarHBondContact O-CB 3.46Å; M679-F717 VanDerWaalsContact O-CD1 3.24Å; M679-F717 WeakPolarHBondContact O-CD1 3.49Å; M679-F717 WeakPolarHBondContact O-CG 3.43Å; M679-F717 HydrophobicContact SD-CE1 4.45Å; M679-F717 HydrophobicContact SD-CZ 3.99Å; M679-V735 HydrophobicContact CE-CG1 4.23Å; M679-V735 HydrophobicContact CE-CG2 4.04Å; M679-I738 HydrophobicContact CE-CB 4.39Å; M679-I738 HydrophobicContact CE-CD1 4.42Å; M679-I738 HydrophobicContact CE-CG2 3.94Å; M679-I738 HydrophobicContact SD-CG2 3.88Å |
| 680 | N | 88.2 | Confident | 90.9 | Very high | 94 Ų | 94 | 38 Ų | 38 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -97.3 | -21.6 | -173.9 | -62.2 | -76.7 | 0 | 0 | 0 | 113.7 | Y676 R677 | Y676-N680 PolarHBondContact O-N 2.64Å; Y676-N680 PolarHBondContact O-ND2 2.9Å; R677-N680 PolarHBondContact O-N 3.04Å; R677-N680 VanDerWaalsContact O-N 3.15Å |
| 681 | E | 88.8 | Confident | 90.6 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | trans | -129.8 | 97.5 | -172.9 | -65.4 | 172.1 | -117.5 | 0 | 0 | 110.6 | R677 S683 I684 R685 S747 | R677-E681 WeakPolarHBondContact CD-OE1 3.29Å; R677-E681 IonicContact CZ-OE1 3.16Å; R677-E681 IonicContact NE-OE1 2.8Å; R677-E681 IonicContact NH1-OE1 3.37Å; R677-E681 PolarHBondContact NH1-OE1 3.37Å; R677-E681 WeakPolarHBondContact O-CB 3.37Å; R677-E681 PolarHBondContact O-N 3.22Å; E681-S683 VanDerWaalsContact C-N 3.28Å; E681-S683 PolarHBondContact O-N 3.21Å; E681-I684 HydrophobicContact CB-CD1 3.9Å; E681-I684 HydrophobicContact CB-CG1 4.2Å; E681-I684 HydrophobicContact CG-CD1 4.47Å; E681-I684 PolarHBondContact O-N 3.24Å; E681-I684 VanDerWaalsContact O-N 3.12Å; E681-I684 WeakPolarHBondContact OE2-CD1 3.39Å; E681-R685 PolarHBondContact O-N 2.95Å; E681-S747 VanDerWaalsContact OE1-CB 3.31Å; E681-S747 WeakPolarHBondContact OE1-CB 3.45Å; E681-S747 WeakPolarHBondContact OE2-CB 3.47Å; E681-S747 PolarHBondContact OE2-OG 2.74Å | ||
| 682 | S | 88 | Confident | 90.1 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -33.2 | -175.5 | -75.5 | 0 | 0 | 0 | 0 | 114.8 | I684 R685 E686 M711 | S682-I684 VanDerWaalsContact C-N 3.27Å; S682-I684 PolarHBondContact O-N 3.49Å; S682-R685 PolarHBondContact O-N 3.12Å; S682-R685 PolarHBondContact OG-NH1 2.86Å; S682-R685 PolarHBondContact OG-NH2 3.05Å; S682-E686 WeakPolarHBondContact O-CB 3.37Å; S682-E686 WeakPolarHBondContact O-CG 3.37Å; S682-E686 PolarHBondContact O-N 3.15Å; S682-M711 WeakPolarHBondContact OG-CE 3.32Å |
| 683 | S | 88.7 | Confident | 89.7 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -57.9 | -38 | 176.6 | 48.3 | 0 | 0 | 0 | 0 | 112.7 | E681 Q687 | E681-S683 VanDerWaalsContact C-N 3.28Å; E681-S683 PolarHBondContact O-N 3.21Å; S683-Q687 WeakPolarHBondContact O-CB 3.25Å; S683-Q687 PolarHBondContact O-N 2.95Å |
| 684 | I | 90.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71 | -44.6 | 178.8 | -62.2 | 175.1 | 0 | 0 | 0 | 109.8 | L674 R677 E681 S682 Q687 L688 I752 | L674-I684 HydrophobicContact CD1-CG2 4.2Å; R677-I684 HydrophobicContact CB-CD1 3.92Å; R677-I684 HydrophobicContact CB-CG2 4.4Å; E681-I684 HydrophobicContact CB-CD1 3.9Å; E681-I684 HydrophobicContact CB-CG1 4.2Å; E681-I684 HydrophobicContact CG-CD1 4.47Å; E681-I684 PolarHBondContact O-N 3.24Å; E681-I684 VanDerWaalsContact O-N 3.12Å; E681-I684 WeakPolarHBondContact OE2-CD1 3.39Å; S682-I684 VanDerWaalsContact C-N 3.27Å; S682-I684 PolarHBondContact O-N 3.49Å; I684-Q687 WeakPolarHBondContact O-CB 3.44Å; I684-Q687 PolarHBondContact O-N 3.22Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.41Å; I684-I752 HydrophobicContact CD1-CD1 3.61Å; I684-I752 HydrophobicContact CD1-CG1 3.77Å; I684-I752 HydrophobicContact CG1-CG1 4.5Å; I684-I752 HydrophobicContact CG2-CG2 4.23Å |
| 685 | R | 91.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 175.6 | -174.5 | -171.1 | 67.4 | -97.5 | -9.1 | 111.1 | C678 E681 S682 Q687 L688 V689 L704 D708 | C678-R685 HydrophobicContact CB-CB 3.96Å; C678-R685 HydrophobicContact CB-CG 4.35Å; E681-R685 PolarHBondContact O-N 2.95Å; S682-R685 PolarHBondContact O-N 3.12Å; S682-R685 PolarHBondContact OG-NH1 2.86Å; S682-R685 PolarHBondContact OG-NH2 3.05Å; R685-Q687 VanDerWaalsContact C-N 3.3Å; R685-Q687 PolarHBondContact O-N 3.2Å; R685-L688 PolarHBondContact O-N 2.86Å; R685-V689 HydrophobicContact CG-CG2 4.42Å; R685-V689 WeakPolarHBondContact O-CG2 3.43Å; R685-V689 PolarHBondContact O-N 3.14Å; R685-L704 HydrophobicContact CG-CD1 4.12Å; R685-D708 IonicContact NE-OD1 3.82Å; R685-D708 PolarHBondContact NE-OD1 3.35Å |
| 686 | E | 88.4 | Confident | 88.4 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 178 | -73.4 | 165 | -145.7 | 0 | 0 | 111.5 | S682 V689 Q690 | S682-E686 WeakPolarHBondContact O-CB 3.37Å; S682-E686 WeakPolarHBondContact O-CG 3.37Å; S682-E686 PolarHBondContact O-N 3.15Å; E686-V689 PolarHBondContact O-N 3.32Å; E686-Q690 WeakPolarHBondContact O-CB 3.39Å; E686-Q690 VanDerWaalsContact O-CG 3.24Å; E686-Q690 WeakPolarHBondContact O-CG 3.49Å; E686-Q690 PolarHBondContact O-N 2.87Å |
| 687 | Q | 90.5 | Very high | 88 | Confident | 93 Ų | 93 | 56 Ų | 56 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -48.5 | 174.1 | 173.3 | 176.9 | -1 | 0 | 0 | 112.1 | S683 I684 R685 Q690 M691 | S683-Q687 WeakPolarHBondContact O-CB 3.25Å; S683-Q687 PolarHBondContact O-N 2.95Å; I684-Q687 WeakPolarHBondContact O-CB 3.44Å; I684-Q687 PolarHBondContact O-N 3.22Å; R685-Q687 VanDerWaalsContact C-N 3.3Å; R685-Q687 PolarHBondContact O-N 3.2Å; Q687-Q690 PolarHBondContact O-N 3.26Å; Q687-M691 HydrophobicContact CG-CE 3.5Å; Q687-M691 WeakPolarHBondContact O-CE 3.5Å; Q687-M691 WeakPolarHBondContact O-CG 3.41Å; Q687-M691 PolarHBondContact O-N 2.94Å |
| 688 | L | 90.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 179.6 | -67.1 | -170 | 0 | 0 | 0 | 112.5 | L674 C678 I684 R685 M691 E692 F693 F695 M756 | L674-L688 HydrophobicContact CD1-CD1 4.07Å; L674-L688 HydrophobicContact CD2-CD1 3.73Å; L674-L688 HydrophobicContact CD2-CD2 4.42Å; L674-L688 HydrophobicContact CG-CD1 3.76Å; C678-L688 VanDerWaalsContact SG-CD1 3.5Å; I684-L688 WeakPolarHBondContact O-CG 3.47Å; I684-L688 PolarHBondContact O-N 3.41Å; R685-L688 PolarHBondContact O-N 2.86Å; L688-M691 HydrophobicContact CD2-SD 4.25Å; L688-M691 WeakPolarHBondContact O-CG 3.34Å; L688-E692 PolarHBondContact O-N 3.34Å; L688-F693 HydrophobicContact CB-CB 3.99Å; L688-F693 HydrophobicContact CD1-CD1 4.35Å; L688-F693 HydrophobicContact CD2-CB 3.97Å; L688-F693 HydrophobicContact CD2-CD1 4.19Å; L688-F693 HydrophobicContact CD2-CD2 4.05Å; L688-F693 HydrophobicContact CD2-CG 3.81Å; L688-F693 HydrophobicContact CG-CB 4.45Å; L688-F693 WeakPolarHBondContact O-CB 3.44Å; L688-F693 PolarHBondContact O-N 2.68Å; L688-F695 HydrophobicContact CD1-CE2 4.32Å; L688-F695 HydrophobicContact CD1-CZ 4.37Å; L688-M756 HydrophobicContact CD2-CE 3.86Å; L688-M756 HydrophobicContact CD2-CG 4.17Å; L688-M756 HydrophobicContact CD2-SD 3.87Å |
| 689 | V | 82.7 | Confident | 87.1 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -45.1 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | R685 E686 M691 E692 L704 D708 | R685-V689 HydrophobicContact CG-CG2 4.42Å; R685-V689 WeakPolarHBondContact O-CG2 3.43Å; R685-V689 PolarHBondContact O-N 3.14Å; E686-V689 PolarHBondContact O-N 3.32Å; V689-M691 VanDerWaalsContact C-N 3.25Å; V689-M691 PolarHBondContact O-N 3.22Å; V689-E692 PolarHBondContact O-N 2.98Å; V689-E692 VanDerWaalsContact O-N 3.08Å; V689-L704 HydrophobicContact CG2-CD2 4.48Å; V689-D708 HydrophobicContact CG2-CB 4.18Å |
| 690 | Q | 82.8 | Confident | 87.3 | Confident | 162 Ų | 162 | 65.5 Ų | 65.5 | 76% | 0.757 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.8 | -27.6 | 178.9 | -77.1 | 178.2 | 18.1 | 0 | 0 | 114.1 | E686 Q687 | E686-Q690 WeakPolarHBondContact O-CB 3.39Å; E686-Q690 VanDerWaalsContact O-CG 3.24Å; E686-Q690 WeakPolarHBondContact O-CG 3.49Å; E686-Q690 PolarHBondContact O-N 2.87Å; Q687-Q690 PolarHBondContact O-N 3.26Å |
| 691 | M | 87.5 | Confident | 87.3 | Confident | 87 Ų | 87 | 62.7 Ų | 62.7 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.7 | 176.2 | 72.8 | 179.2 | 54.6 | 0 | 0 | 114.2 | Q687 L688 V689 F693 M756 | Q687-M691 HydrophobicContact CG-CE 3.5Å; Q687-M691 WeakPolarHBondContact O-CE 3.5Å; Q687-M691 WeakPolarHBondContact O-CG 3.41Å; Q687-M691 PolarHBondContact O-N 2.94Å; L688-M691 HydrophobicContact CD2-SD 4.25Å; L688-M691 WeakPolarHBondContact O-CG 3.34Å; V689-M691 VanDerWaalsContact C-N 3.25Å; V689-M691 PolarHBondContact O-N 3.22Å; M691-F693 VanDerWaalsContact C-N 3.27Å; M691-F693 HydrophobicContact CG-CB 3.94Å; M691-F693 PolarHBondContact O-N 2.88Å; M691-F693 HydrophobicContact SD-CB 4.29Å; M691-F693 HydrophobicContact SD-CD2 4.1Å; M691-M756 HydrophobicContact CE-CE 3.89Å; M691-M756 HydrophobicContact SD-CE 3.33Å; M691-M756 WeakPolarHBondContact SD-CE 3.35Å |
| 692 | E | 82.9 | Confident | 87.2 | Confident | 157 Ų | 157 | 64.1 Ų | 64.1 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.1 | -176 | -56.6 | -174.9 | 142.9 | 0 | 0 | 113 | L688 V689 Q694 | L688-E692 PolarHBondContact O-N 3.34Å; V689-E692 PolarHBondContact O-N 2.98Å; V689-E692 VanDerWaalsContact O-N 3.08Å; E692-Q694 PolarHBondContact O-N 2.88Å; E692-Q694 PolarHBondContact O-NE2 2.87Å |
| 693 | F | 86.7 | Confident | 87.3 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | trans | -58.3 | 134 | -174.5 | -172.1 | -95.3 | 0 | 0 | 0 | 112.2 | L674 L688 M691 F695 Q701 M756 I759 | L674-F693 HydrophobicContact CD2-CD1 4.45Å; L674-F693 HydrophobicContact CD2-CE1 3.77Å; L674-F693 HydrophobicContact CD2-CZ 4.07Å; L688-F693 HydrophobicContact CB-CB 3.99Å; L688-F693 HydrophobicContact CD1-CD1 4.35Å; L688-F693 HydrophobicContact CD2-CB 3.97Å; L688-F693 HydrophobicContact CD2-CD1 4.19Å; L688-F693 HydrophobicContact CD2-CD2 4.05Å; L688-F693 HydrophobicContact CD2-CG 3.81Å; L688-F693 HydrophobicContact CG-CB 4.45Å; L688-F693 WeakPolarHBondContact O-CB 3.44Å; L688-F693 PolarHBondContact O-N 2.68Å; M691-F693 VanDerWaalsContact C-N 3.27Å; M691-F693 HydrophobicContact CG-CB 3.94Å; M691-F693 PolarHBondContact O-N 2.88Å; M691-F693 HydrophobicContact SD-CB 4.29Å; M691-F693 HydrophobicContact SD-CD2 4.1Å; F693-F695 AromaticContact CD1-CD2 3.78Å; F693-F695 HydrophobicContact CD1-CD2 3.78Å; F693-F695 AromaticContact CD1-CE2 3.62Å; F693-F695 HydrophobicContact CD1-CE2 3.62Å; F693-F695 HydrophobicContact CD1-CZ 4.39Å; F693-F695 HydrophobicContact CE1-CD2 4Å; F693-F695 AromaticContact CE1-CE2 3.88Å; F693-F695 HydrophobicContact CE1-CE2 3.88Å; F693-F695 HydrophobicContact CE1-CG 4.49Å; F693-F695 HydrophobicContact CE1-CZ 4.28Å; F693-Q701 PolarHBondContact O-NE2 3.05Å; F693-Q701 PolarHBondContact O-OE1 3.47Å; F693-M756 HydrophobicContact CD2-CE 3.94Å; F693-M756 HydrophobicContact CE2-CB 3.94Å; F693-M756 HydrophobicContact CE2-CE 3.96Å; F693-M756 HydrophobicContact CE2-CG 3.92Å; F693-M756 HydrophobicContact CZ-CB 4.22Å; F693-M756 HydrophobicContact CZ-CG 4.14Å; F693-I759 HydrophobicContact CE1-CB 4.45Å; F693-I759 HydrophobicContact CE1-CD1 4.2Å; F693-I759 HydrophobicContact CE1-CG2 3.93Å; F693-I759 HydrophobicContact CZ-CB 3.97Å; F693-I759 HydrophobicContact CZ-CD1 4.2Å; F693-I759 HydrophobicContact CZ-CG2 3.82Å | ||
| 694 | Q | 84.9 | Confident | 87.4 | Confident | 123 Ų | 123 | 58.7 Ų | 58.7 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | trans | -107.3 | 121 | -178.1 | -58.4 | -59.2 | -54.3 | 0 | 0 | 110.8 | E692 | E692-Q694 PolarHBondContact O-N 2.88Å; E692-Q694 PolarHBondContact O-NE2 2.87Å | ||
| 695 | F | 87.7 | Confident | 87.1 | Confident | 18 Ų | 18 | 63.6 Ų | 63.6 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -76.2 | 163.4 | 167.6 | -77 | -105.5 | 0 | 0 | 0 | 110.6 | E671 L674 L675 L688 F693 Y700 Q701 L704 I759 | E671-F695 HydrophobicContact CB-CD1 3.73Å; E671-F695 HydrophobicContact CB-CE1 3.91Å; E671-F695 HydrophobicContact CG-CD1 3.65Å; E671-F695 HydrophobicContact CG-CE1 4.19Å; L674-F695 HydrophobicContact CB-CZ 4.45Å; L674-F695 HydrophobicContact CD2-CE1 4.4Å; L674-F695 HydrophobicContact CD2-CZ 3.92Å; L674-F695 HydrophobicContact CG-CZ 4.19Å; L675-F695 HydrophobicContact CD1-CE1 4.16Å; L675-F695 HydrophobicContact CD2-CE1 4.39Å; L675-F695 HydrophobicContact CD2-CZ 4.09Å; L675-F695 HydrophobicContact CG-CE1 3.83Å; L675-F695 HydrophobicContact CG-CZ 3.95Å; L688-F695 HydrophobicContact CD1-CE2 4.32Å; L688-F695 HydrophobicContact CD1-CZ 4.37Å; F693-F695 AromaticContact CD1-CD2 3.78Å; F693-F695 HydrophobicContact CD1-CD2 3.78Å; F693-F695 AromaticContact CD1-CE2 3.62Å; F693-F695 HydrophobicContact CD1-CE2 3.62Å; F693-F695 HydrophobicContact CD1-CZ 4.39Å; F693-F695 HydrophobicContact CE1-CD2 4Å; F693-F695 AromaticContact CE1-CE2 3.88Å; F693-F695 HydrophobicContact CE1-CE2 3.88Å; F693-F695 HydrophobicContact CE1-CG 4.49Å; F693-F695 HydrophobicContact CE1-CZ 4.28Å; F695-Y700 HydrophobicContact CD1-CG 4.45Å; F695-Q701 HydrophobicContact CB-CB 4.34Å; F695-L704 HydrophobicContact CE2-CD2 4.07Å; F695-I759 HydrophobicContact CE1-CD1 4.42Å | ||
| 696 | I | 83.5 | Confident | 86.8 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 26% | 0.256 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -83.6 | -37.1 | -178.8 | -63.8 | 158.5 | 0 | 0 | 0 | 110.8 | E667 E671 I759 | E667-I696 HydrophobicContact CB-CD1 3.79Å; E667-I696 HydrophobicContact CG-CD1 3.73Å; E671-I696 WeakPolarHBondContact OE1-CA 3.22Å; E671-I696 WeakPolarHBondContact OE1-CB 3.41Å; E671-I696 PolarHBondContact OE1-N 2.71Å; I696-I759 HydrophobicContact CD1-CG2 4.12Å; I696-I759 WeakPolarHBondContact CD1-O 3.36Å; I696-I759 HydrophobicContact CG1-CG2 4.02Å |
| 697 | H | 86.9 | Confident | 86.8 | Confident | 54 Ų | 54 | 62.3 Ų | 62.3 | 25% | 0.25 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -107.8 | 129.5 | 179 | -49.5 | 81.8 | 0 | 0 | 0 | 111.5 | E671 Q699 Y700 Q701 | E671-H697 PolarHBondContact OE1-N 3.21Å; E671-H697 IonicContact OE1-ND1 2.75Å; E671-H697 PolarHBondContact OE1-ND1 3.17Å; E671-H697 IonicContact OE2-CE1 3.86Å; E671-H697 PolarHBondContact OE2-CE1 2.99Å; E671-H697 VanDerWaalsContact OE2-CE1 3.32Å; E671-H697 IonicContact OE2-CG 2.66Å; E671-H697 IonicContact OE2-ND1 2.67Å; E671-H697 PolarHBondContact OE2-ND1 3.44Å; H697-Q699 VanDerWaalsContact C-N 3.25Å; H697-Q699 HydrophobicContact CB-CG 4.27Å; H697-Q699 PolarHBondContact O-N 3.45Å; H697-Q699 VanDerWaalsContact O-N 3.1Å; H697-Y700 HydrophobicContact CB-CD2 3.69Å; H697-Y700 HydrophobicContact CB-CE2 4Å; H697-Y700 AromaticContact ND1-CD2 3.96Å; H697-Y700 AromaticContact ND1-CE2 3.78Å; H697-Y700 PolarHBondContact O-N 2.99Å; H697-Q701 PolarHBondContact O-N 3.45Å |
| 698 | D | 81.5 | Confident | 86.6 | Confident | 141 Ų | 141 | 59 Ų | 59 | 75% | 0.754 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -48.9 | -41.9 | -176.4 | -57.2 | -27.2 | 0 | 0 | 0 | 113.7 | Y700 Q701 E702 | D698-Y700 PolarHBondContact O-N 3.34Å; D698-Y700 VanDerWaalsContact O-N 3.17Å; D698-Q701 WeakPolarHBondContact O-CB 3.47Å; D698-Q701 PolarHBondContact O-N 3.47Å; D698-Q701 VanDerWaalsContact O-N 3.08Å; D698-E702 WeakPolarHBondContact O-CB 3.22Å; D698-E702 PolarHBondContact O-N 2.89Å |
| 699 | Q | 86.2 | Confident | 85.9 | Confident | 62 Ų | 62 | 60.9 Ų | 60.9 | 29% | 0.29 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.5 | -31.9 | 178.1 | 69.1 | -175.6 | -10.9 | 0 | 0 | 113.6 | H697 L703 M731 L734 | H697-Q699 VanDerWaalsContact C-N 3.25Å; H697-Q699 HydrophobicContact CB-CG 4.27Å; H697-Q699 PolarHBondContact O-N 3.45Å; H697-Q699 VanDerWaalsContact O-N 3.1Å; Q699-L703 VanDerWaalsContact O-CB 3.24Å; Q699-L703 WeakPolarHBondContact O-CB 3.37Å; Q699-L703 PolarHBondContact O-N 3.42Å; Q699-L703 VanDerWaalsContact O-N 3.12Å; Q699-M731 HydrophobicContact CB-CE 4.28Å; Q699-M731 WeakPolarHBondContact O-CE 3.28Å; Q699-L734 HydrophobicContact CB-CD2 4.19Å; Q699-L734 HydrophobicContact CG-CD2 4.07Å |
| 700 | Y | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.3 | -32.7 | 179.4 | -61 | -52.2 | 0 | 0 | 0 | 111.3 | E668 E671 R672 L675 F695 H697 D698 L704 L734 | E668-Y700 HydrophobicContact CB-CE2 4.43Å; E668-Y700 HydrophobicContact CG-CE2 4.17Å; E671-Y700 HydrophobicContact CB-CD2 3.69Å; E671-Y700 HydrophobicContact CB-CE2 4.01Å; E671-Y700 HydrophobicContact CB-CG 4.06Å; E671-Y700 HydrophobicContact CG-CD2 4.13Å; E671-Y700 WeakPolarHBondContact OE1-CD2 3.07Å; E671-Y700 WeakPolarHBondContact OE2-CD2 3.38Å; E671-Y700 WeakPolarHBondContact OE2-CE2 3.3Å; R672-Y700 HydrophobicContact CG-CE1 3.62Å; R672-Y700 PolarHBondContact NE-OH 2.89Å; L675-Y700 HydrophobicContact CD1-CD1 3.52Å; L675-Y700 HydrophobicContact CD1-CG 3.97Å; F695-Y700 HydrophobicContact CD1-CG 4.45Å; H697-Y700 HydrophobicContact CB-CD2 3.69Å; H697-Y700 HydrophobicContact CB-CE2 4Å; H697-Y700 AromaticContact ND1-CD2 3.96Å; H697-Y700 AromaticContact ND1-CE2 3.78Å; H697-Y700 PolarHBondContact O-N 2.99Å; D698-Y700 PolarHBondContact O-N 3.34Å; D698-Y700 VanDerWaalsContact O-N 3.17Å; Y700-L704 PolarHBondContact O-N 3.33Å; Y700-L704 VanDerWaalsContact O-N 3.07Å; Y700-L734 HydrophobicContact CD1-CD2 4.14Å; Y700-L734 HydrophobicContact CE1-CD1 3.91Å; Y700-L734 HydrophobicContact CE1-CD2 4.06Å; Y700-L734 HydrophobicContact CE1-CG 4.35Å |
| 701 | Q | 88.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.6 | -46.2 | 171.2 | -166.8 | 67.4 | 31 | 0 | 0 | 111 | F693 F695 H697 D698 L703 L704 L705 | F693-Q701 PolarHBondContact O-NE2 3.05Å; F693-Q701 PolarHBondContact O-OE1 3.47Å; F695-Q701 HydrophobicContact CB-CB 4.34Å; H697-Q701 PolarHBondContact O-N 3.45Å; D698-Q701 WeakPolarHBondContact O-CB 3.47Å; D698-Q701 PolarHBondContact O-N 3.47Å; D698-Q701 VanDerWaalsContact O-N 3.08Å; Q701-L703 VanDerWaalsContact C-N 3.33Å; Q701-L703 PolarHBondContact O-N 3.37Å; Q701-L704 WeakPolarHBondContact O-CB 3.49Å; Q701-L704 PolarHBondContact O-N 2.94Å; Q701-L705 WeakPolarHBondContact O-CG 3.27Å; Q701-L705 PolarHBondContact O-N 2.91Å; Q701-L705 VanDerWaalsContact O-N 3.17Å |
| 702 | E | 86.8 | Confident | 85.1 | Confident | 69 Ų | 69 | 54 Ų | 54 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 177.2 | -168.4 | -174.3 | 174.6 | 0 | 0 | 111.3 | D698 L704 L705 Y706 M731 | D698-E702 WeakPolarHBondContact O-CB 3.22Å; D698-E702 PolarHBondContact O-N 2.89Å; E702-L704 PolarHBondContact O-N 3.08Å; E702-L705 WeakPolarHBondContact O-CB 3.29Å; E702-L705 PolarHBondContact O-N 3.29Å; E702-L705 VanDerWaalsContact O-N 3.13Å; E702-Y706 HydrophobicContact CG-CD2 4.04Å; E702-Y706 HydrophobicContact CG-CE2 3.51Å; E702-Y706 WeakPolarHBondContact O-CD2 3.5Å; E702-Y706 PolarHBondContact O-N 2.98Å; E702-Y706 WeakPolarHBondContact OE1-CE2 3.48Å; E702-Y706 VanDerWaalsContact OE1-CZ 3.24Å; E702-Y706 PolarHBondContact OE1-OH 2.89Å; E702-M731 HydrophobicContact CB-CE 3.87Å; E702-M731 HydrophobicContact CG-CE 4.01Å; E702-M731 VanDerWaalsContact OE2-CE 3.24Å; E702-M731 WeakPolarHBondContact OE2-CE 3.32Å |
| 703 | L | 90.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.4 | -179.8 | 52.9 | 0 | 0 | 0 | 112.9 | L675 M679 Q699 Q701 L705 L707 F722 M731 L734 V735 I738 | L675-L703 HydrophobicContact CD1-CD2 4.03Å; L675-L703 HydrophobicContact CD1-CG 4.4Å; L675-L703 HydrophobicContact CD2-CG 4.45Å; M679-L703 HydrophobicContact CE-CD2 4.14Å; Q699-L703 VanDerWaalsContact O-CB 3.24Å; Q699-L703 WeakPolarHBondContact O-CB 3.37Å; Q699-L703 PolarHBondContact O-N 3.42Å; Q699-L703 VanDerWaalsContact O-N 3.12Å; Q701-L703 VanDerWaalsContact C-N 3.33Å; Q701-L703 PolarHBondContact O-N 3.37Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 3.47Å; L703-L707 VanDerWaalsContact O-CB 3.25Å; L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 3.24Å; L703-F722 HydrophobicContact CD1-CE1 3.74Å; L703-F722 HydrophobicContact CD1-CZ 3.81Å; L703-M731 HydrophobicContact CB-SD 4.32Å; L703-L734 HydrophobicContact CD2-CD2 4.16Å; L703-L734 HydrophobicContact CD2-CG 4.3Å; L703-V735 HydrophobicContact CD1-CG2 3.39Å; L703-V735 HydrophobicContact CD2-CG2 3.8Å; L703-V735 HydrophobicContact CG-CG2 4.27Å; L703-I738 HydrophobicContact CD2-CD1 3.7Å |
| 704 | L | 90.2 | Very high | 84 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 171.3 | -178.3 | 70.1 | 0 | 0 | 0 | 111.3 | L675 C678 R685 V689 F695 Y700 Q701 E702 L707 D708 | L675-L704 HydrophobicContact CD2-CB 4.2Å; C678-L704 HydrophobicContact CB-CD1 4.46Å; R685-L704 HydrophobicContact CG-CD1 4.12Å; V689-L704 HydrophobicContact CG2-CD2 4.48Å; F695-L704 HydrophobicContact CE2-CD2 4.07Å; Y700-L704 PolarHBondContact O-N 3.33Å; Y700-L704 VanDerWaalsContact O-N 3.07Å; Q701-L704 WeakPolarHBondContact O-CB 3.49Å; Q701-L704 PolarHBondContact O-N 2.94Å; E702-L704 PolarHBondContact O-N 3.08Å; L704-L707 PolarHBondContact O-N 3.29Å; L704-D708 PolarHBondContact O-N 3.31Å |
| 705 | L | 84.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 51.6 Ų | 51.6 | 58% | 0.581 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 179.3 | -65.5 | 172.3 | 0 | 0 | 0 | 112.1 | Q701 E702 L703 L707 D708 S709 | Q701-L705 WeakPolarHBondContact O-CG 3.27Å; Q701-L705 PolarHBondContact O-N 2.91Å; Q701-L705 VanDerWaalsContact O-N 3.17Å; E702-L705 WeakPolarHBondContact O-CB 3.29Å; E702-L705 PolarHBondContact O-N 3.29Å; E702-L705 VanDerWaalsContact O-N 3.13Å; L703-L705 VanDerWaalsContact C-N 3.32Å; L703-L705 PolarHBondContact O-N 3.47Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.05Å; L705-D708 PolarHBondContact O-N 3.45Å; L705-S709 WeakPolarHBondContact O-CB 3.32Å; L705-S709 PolarHBondContact O-N 3.03Å; L705-S709 PolarHBondContact O-OG 2.91Å |
| 706 | Y | 86.4 | Confident | 83.1 | Confident | 72 Ų | 72 | 56.6 Ų | 56.6 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 174.2 | -73.4 | -50.4 | 0 | 0 | 0 | 112.1 | E702 S709 Y710 F722 Y725 L726 | E702-Y706 HydrophobicContact CG-CD2 4.04Å; E702-Y706 HydrophobicContact CG-CE2 3.51Å; E702-Y706 WeakPolarHBondContact O-CD2 3.5Å; E702-Y706 PolarHBondContact O-N 2.98Å; E702-Y706 WeakPolarHBondContact OE1-CE2 3.48Å; E702-Y706 VanDerWaalsContact OE1-CZ 3.24Å; E702-Y706 PolarHBondContact OE1-OH 2.89Å; Y706-S709 PolarHBondContact O-OG 3.23Å; Y706-S709 VanDerWaalsContact O-OG 3.11Å; Y706-Y710 VanDerWaalsContact O-CB 3.26Å; Y706-Y710 WeakPolarHBondContact O-CB 3.32Å; Y706-Y710 PolarHBondContact O-N 3.2Å; Y706-F722 WeakPolarHBondContact O-CE2 3.48Å; Y706-Y725 HydrophobicContact CD1-CE1 4.4Å; Y706-L726 HydrophobicContact CD1-CD2 4.47Å; Y706-L726 HydrophobicContact CD2-CD2 3.69Å; Y706-L726 HydrophobicContact CE2-CD2 4.33Å; Y706-L726 HydrophobicContact CG-CD2 3.8Å |
| 707 | L | 88.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 179 | 179.4 | 63 | 0 | 0 | 0 | 110.9 | C678 M679 L703 L704 L705 Y710 M711 F717 F722 | C678-L707 HydrophobicContact CB-CD2 3.74Å; M679-L707 HydrophobicContact CG-CD1 4.21Å; M679-L707 HydrophobicContact CG-CD2 3.89Å; L703-L707 VanDerWaalsContact O-CB 3.25Å; L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 3.24Å; L704-L707 PolarHBondContact O-N 3.29Å; L705-L707 VanDerWaalsContact C-N 3.32Å; L705-L707 PolarHBondContact O-N 3.05Å; L707-Y710 PolarHBondContact O-N 3.14Å; L707-M711 HydrophobicContact CD1-CG 4.22Å; L707-M711 WeakPolarHBondContact O-CB 3.31Å; L707-M711 WeakPolarHBondContact O-CG 3.31Å; L707-M711 PolarHBondContact O-N 3.17Å; L707-F717 HydrophobicContact CD1-CD2 3.44Å; L707-F717 VanDerWaalsContact CD1-CD2 3.44Å; L707-F717 HydrophobicContact CD1-CE2 3.5Å; L707-F722 HydrophobicContact CB-CE2 4.48Å; L707-F722 HydrophobicContact CB-CZ 3.99Å; L707-F722 HydrophobicContact CD1-CE1 4.35Å; L707-F722 HydrophobicContact CD1-CZ 4.28Å |
| 708 | D | 85.2 | Confident | 83 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 178 | -162.9 | 57.6 | 0 | 0 | 0 | 112.2 | R685 V689 L704 L705 Y710 M711 M712 | R685-D708 IonicContact NE-OD1 3.82Å; R685-D708 PolarHBondContact NE-OD1 3.35Å; V689-D708 HydrophobicContact CG2-CB 4.18Å; L704-D708 PolarHBondContact O-N 3.31Å; L705-D708 PolarHBondContact O-N 3.45Å; D708-Y710 VanDerWaalsContact C-N 3.31Å; D708-Y710 PolarHBondContact O-N 2.93Å; D708-M711 PolarHBondContact O-N 3.24Å; D708-M711 VanDerWaalsContact O-N 3.15Å; D708-M712 WeakPolarHBondContact O-CG 3.26Å; D708-M712 PolarHBondContact O-N 3.45Å |
| 709 | S | 77.5 | Confident | 83.3 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -32 | 177.1 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | L705 Y706 V713 Y725 | L705-S709 WeakPolarHBondContact O-CB 3.32Å; L705-S709 PolarHBondContact O-N 3.03Å; L705-S709 PolarHBondContact O-OG 2.91Å; Y706-S709 PolarHBondContact O-OG 3.23Å; Y706-S709 VanDerWaalsContact O-OG 3.11Å; S709-V713 WeakPolarHBondContact O-CG2 3.41Å; S709-Y725 WeakPolarHBondContact CB-OH 3.3Å; S709-Y725 PolarHBondContact OG-OH 3.41Å |
| 710 | Y | 81 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 169.6 | 170.5 | -89.7 | 0 | 0 | 0 | 110.9 | Y706 L707 D708 M712 V713 H714 N716 F717 D721 F722 Y725 | Y706-Y710 VanDerWaalsContact O-CB 3.26Å; Y706-Y710 WeakPolarHBondContact O-CB 3.32Å; Y706-Y710 PolarHBondContact O-N 3.2Å; L707-Y710 PolarHBondContact O-N 3.14Å; D708-Y710 VanDerWaalsContact C-N 3.31Å; D708-Y710 PolarHBondContact O-N 2.93Å; Y710-M712 VanDerWaalsContact C-N 3.34Å; Y710-M712 PolarHBondContact O-N 3.23Å; Y710-V713 PolarHBondContact O-N 2.77Å; Y710-H714 AromaticContact CD2-CD2 3.39Å; Y710-H714 WeakPolarHBondContact CD2-CD2 3.29Å; Y710-H714 AromaticContact CD2-NE2 3.89Å; Y710-H714 HydrophobicContact CE1-CB 4Å; Y710-H714 HydrophobicContact CE2-CB 4.12Å; Y710-H714 AromaticContact CE2-CD2 3.3Å; Y710-H714 WeakPolarHBondContact CE2-CD2 3.48Å; Y710-H714 AromaticContact CE2-CG 3.6Å; Y710-H714 AromaticContact CE2-NE2 3.72Å; Y710-H714 AromaticContact CZ-CD2 3.9Å; Y710-H714 AromaticContact CZ-CG 3.75Å; Y710-H714 PolarHBondContact O-CD2 2.81Å; Y710-H714 PolarHBondContact O-N 2.89Å; Y710-N716 WeakPolarHBondContact CE1-O 3.25Å; Y710-F717 HydrophobicContact CE1-CD2 4.33Å; Y710-D721 HydrophobicContact CE2-CB 3.94Å; Y710-D721 VanDerWaalsContact OH-CB 3.25Å; Y710-D721 WeakPolarHBondContact OH-CB 3.23Å; Y710-F722 HydrophobicContact CD1-CD2 4.06Å; Y710-F722 AromaticContact CD2-CD2 3.89Å; Y710-F722 HydrophobicContact CD2-CD2 3.89Å; Y710-F722 HydrophobicContact CE2-CB 4.43Å; Y710-F722 AromaticContact CG-CD2 3.6Å; Y710-F722 HydrophobicContact CG-CD2 3.6Å; Y710-F722 HydrophobicContact CG-CE2 4.22Å; Y710-Y725 HydrophobicContact CD2-CD1 4.39Å; Y710-Y725 AromaticContact CD2-CD2 3.94Å; Y710-Y725 HydrophobicContact CD2-CD2 3.94Å; Y710-Y725 AromaticContact CD2-CG 3.87Å; Y710-Y725 HydrophobicContact CD2-CG 3.87Å |
| 711 | M | 81.3 | Confident | 82.1 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.5 | -33.5 | -177 | -71.4 | -64.9 | -54.8 | 0 | 0 | 113.2 | S682 L707 D708 V713 G715 F717 | S682-M711 WeakPolarHBondContact OG-CE 3.32Å; L707-M711 HydrophobicContact CD1-CG 4.22Å; L707-M711 WeakPolarHBondContact O-CB 3.31Å; L707-M711 WeakPolarHBondContact O-CG 3.31Å; L707-M711 PolarHBondContact O-N 3.17Å; D708-M711 PolarHBondContact O-N 3.24Å; D708-M711 VanDerWaalsContact O-N 3.15Å; M711-V713 PolarHBondContact O-N 3.45Å; M711-G715 WeakPolarHBondContact CE-O 3.4Å; M711-G715 WeakPolarHBondContact O-CA 3.35Å; M711-G715 PolarHBondContact O-N 3.02Å; M711-F717 HydrophobicContact SD-CB 3.74Å; M711-F717 HydrophobicContact SD-CD2 4.46Å; M711-F717 PolarHBondContact SD-N 3.39Å; M711-F717 VanDerWaalsContact SD-N 3.36Å |
| 712 | M | 74.3 | Confident | 82 | Confident | 149 Ų | 149 | 47.8 Ų | 47.8 | 73% | 0.734 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.2 | -25.7 | 171.4 | -76.1 | -166.1 | 176.2 | 0 | 0 | 113.8 | D708 Y710 | D708-M712 WeakPolarHBondContact O-CG 3.26Å; D708-M712 PolarHBondContact O-N 3.45Å; Y710-M712 VanDerWaalsContact C-N 3.34Å; Y710-M712 PolarHBondContact O-N 3.23Å |
| 713 | V | 72.6 | Confident | 81.9 | Confident | 111 Ų | 111 | 44.7 Ų | 44.7 | 67% | 0.673 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -95.5 | -40.8 | -178.7 | 176.2 | 0 | 0 | 0 | 0 | 111.8 | S709 Y710 M711 | S709-V713 WeakPolarHBondContact O-CG2 3.41Å; Y710-V713 PolarHBondContact O-N 2.77Å; M711-V713 PolarHBondContact O-N 3.45Å |
| 714 | H | 72.3 | Confident | 81.2 | Confident | 84 Ų | 84 | 46.9 Ų | 46.9 | 39% | 0.389 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -102.5 | -15.5 | -171.3 | -66.6 | -90.7 | 0 | 0 | 0 | 114.4 | Y710 N716 | Y710-H714 AromaticContact CD2-CD2 3.39Å; Y710-H714 WeakPolarHBondContact CD2-CD2 3.29Å; Y710-H714 AromaticContact CD2-NE2 3.89Å; Y710-H714 HydrophobicContact CE1-CB 4Å; Y710-H714 HydrophobicContact CE2-CB 4.12Å; Y710-H714 AromaticContact CE2-CD2 3.3Å; Y710-H714 WeakPolarHBondContact CE2-CD2 3.48Å; Y710-H714 AromaticContact CE2-CG 3.6Å; Y710-H714 AromaticContact CE2-NE2 3.72Å; Y710-H714 AromaticContact CZ-CD2 3.9Å; Y710-H714 AromaticContact CZ-CG 3.75Å; Y710-H714 PolarHBondContact O-CD2 2.81Å; Y710-H714 PolarHBondContact O-N 2.89Å; H714-N716 PolarHBondContact O-N 3.36Å |
| 715 | G | 74.5 | Confident | 80.5 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 74.2 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M711 | M711-G715 WeakPolarHBondContact CE-O 3.4Å; M711-G715 WeakPolarHBondContact O-CA 3.35Å; M711-G715 PolarHBondContact O-N 3.02Å |
| 716 | N | 79.3 | Confident | 80.2 | Confident | 124 Ų | 124 | 45.8 Ų | 45.8 | 66% | 0.663 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -125.7 | 149.7 | 178.9 | -70.2 | -37.4 | 0 | 0 | 0 | 111.2 | Y710 H714 | Y710-N716 WeakPolarHBondContact CE1-O 3.25Å; H714-N716 PolarHBondContact O-N 3.36Å |
| 717 | F | 85.7 | Confident | 79.6 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 20% | 0.197 | 27% | 0.271 | C | S | . | . | trans | -84.2 | 117.2 | 176.7 | -175.8 | -105 | 0 | 0 | 0 | 111.3 | M679 L707 Y710 M711 L719 F722 | M679-F717 HydrophobicContact CB-CD1 4Å; M679-F717 HydrophobicContact CB-CE1 3.74Å; M679-F717 HydrophobicContact CB-CE2 4.26Å; M679-F717 HydrophobicContact CB-CG 4.38Å; M679-F717 HydrophobicContact CB-CZ 3.87Å; M679-F717 HydrophobicContact CG-CE1 4.13Å; M679-F717 HydrophobicContact CG-CE2 4Å; M679-F717 HydrophobicContact CG-CZ 3.73Å; M679-F717 WeakPolarHBondContact O-CB 3.46Å; M679-F717 VanDerWaalsContact O-CD1 3.24Å; M679-F717 WeakPolarHBondContact O-CD1 3.49Å; M679-F717 WeakPolarHBondContact O-CG 3.43Å; M679-F717 HydrophobicContact SD-CE1 4.45Å; M679-F717 HydrophobicContact SD-CZ 3.99Å; L707-F717 HydrophobicContact CD1-CD2 3.44Å; L707-F717 VanDerWaalsContact CD1-CD2 3.44Å; L707-F717 HydrophobicContact CD1-CE2 3.5Å; Y710-F717 HydrophobicContact CE1-CD2 4.33Å; M711-F717 HydrophobicContact SD-CB 3.74Å; M711-F717 HydrophobicContact SD-CD2 4.46Å; M711-F717 PolarHBondContact SD-N 3.39Å; M711-F717 VanDerWaalsContact SD-N 3.36Å; F717-L719 HydrophobicContact CE1-CB 3.95Å; F717-L719 HydrophobicContact CE1-CD1 4.31Å; F717-L719 HydrophobicContact CZ-CB 4.28Å; F717-L719 HydrophobicContact CZ-CD1 4.01Å; F717-F722 HydrophobicContact CE2-CB 3.77Å; F717-F722 AromaticContact CE2-CD1 3.54Å; F717-F722 HydrophobicContact CE2-CD1 3.54Å; F717-F722 HydrophobicContact CE2-CE1 4.23Å; F717-F722 AromaticContact CE2-CG 3.73Å; F717-F722 HydrophobicContact CE2-CG 3.73Å; F717-F722 HydrophobicContact CZ-CB 4.33Å; F717-F722 HydrophobicContact CZ-CD1 4Å; F717-F722 HydrophobicContact CZ-CG 4.46Å | ||
| 718 | I | 83.9 | Confident | 79 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | trans | -120.2 | 113.7 | 167.7 | -59.1 | 174.3 | 0 | 0 | 0 | 107.4 | A720 D721 F722 | I718-A720 VanDerWaalsContact C-N 3.29Å; I718-A720 PolarHBondContact O-N 3.03Å; I718-D721 HydrophobicContact CB-CB 4.13Å; I718-D721 WeakPolarHBondContact CB-OD2 3.31Å; I718-D721 HydrophobicContact CG2-CB 4.32Å; I718-D721 VanDerWaalsContact CG2-OD2 3.29Å; I718-D721 WeakPolarHBondContact CG2-OD2 3.47Å; I718-D721 WeakPolarHBondContact O-CB 3.25Å; I718-D721 PolarHBondContact O-N 3.45Å; I718-D721 VanDerWaalsContact O-N 3.08Å; I718-F722 PolarHBondContact O-N 2.93Å | ||
| 719 | L | 86.3 | Confident | 78.6 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.1 | -44.1 | -175.9 | 177.7 | 62.1 | 0 | 0 | 0 | 112.5 | I256 F717 D721 F722 L723 V735 S739 | I256-L719 HydrophobicContact CD1-CD2 3.72Å; I256-L719 HydrophobicContact CG2-CD2 4.09Å; I256-L719 HydrophobicContact CG2-CG 4.45Å; F717-L719 HydrophobicContact CE1-CB 3.95Å; F717-L719 HydrophobicContact CE1-CD1 4.31Å; F717-L719 HydrophobicContact CZ-CB 4.28Å; F717-L719 HydrophobicContact CZ-CD1 4.01Å; L719-D721 VanDerWaalsContact C-N 3.28Å; L719-D721 PolarHBondContact O-N 3.3Å; L719-F722 PolarHBondContact O-N 3.27Å; L719-L723 HydrophobicContact CD1-CD1 4.45Å; L719-L723 HydrophobicContact CD1-CG 4.4Å; L719-L723 HydrophobicContact CG-CD1 4.35Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 2.88Å; L719-V735 HydrophobicContact CD1-CG1 3.48Å; L719-V735 VanDerWaalsContact CD1-CG1 3.48Å; L719-S739 VanDerWaalsContact CD2-CB 3.48Å |
| 720 | A | 77.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.9 | -22.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R212 N267 I718 N724 | R212-A720 PolarHBondContact NH1-O 3.24Å; N267-A720 HydrophobicContact CB-CB 4.13Å; N267-A720 PolarHBondContact ND2-O 3.02Å; I718-A720 VanDerWaalsContact C-N 3.29Å; I718-A720 PolarHBondContact O-N 3.03Å; A720-N724 PolarHBondContact O-ND2 2.86Å |
| 721 | D | 78.2 | Confident | 78.9 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -80.7 | -43.6 | 169.9 | -78.9 | -51.8 | 0 | 0 | 0 | 111.6 | R212 Y710 I718 L719 L723 N724 Y725 | R212-D721 IonicContact CZ-OD1 3.41Å; R212-D721 IonicContact CZ-OD2 2.79Å; R212-D721 VanDerWaalsContact NH1-CG 3.32Å; R212-D721 IonicContact NH1-OD1 2.74Å; R212-D721 PolarHBondContact NH1-OD1 2.84Å; R212-D721 IonicContact NH1-OD2 3.52Å; R212-D721 IonicContact NH2-OD1 3.31Å; R212-D721 PolarHBondContact NH2-OD1 3.19Å; R212-D721 IonicContact NH2-OD2 3.51Å; R212-D721 PolarHBondContact NH2-OD2 3.26Å; Y710-D721 HydrophobicContact CE2-CB 3.94Å; Y710-D721 VanDerWaalsContact OH-CB 3.25Å; Y710-D721 WeakPolarHBondContact OH-CB 3.23Å; I718-D721 HydrophobicContact CB-CB 4.13Å; I718-D721 WeakPolarHBondContact CB-OD2 3.31Å; I718-D721 HydrophobicContact CG2-CB 4.32Å; I718-D721 VanDerWaalsContact CG2-OD2 3.29Å; I718-D721 WeakPolarHBondContact CG2-OD2 3.47Å; I718-D721 WeakPolarHBondContact O-CB 3.25Å; I718-D721 PolarHBondContact O-N 3.45Å; I718-D721 VanDerWaalsContact O-N 3.08Å; L719-D721 VanDerWaalsContact C-N 3.28Å; L719-D721 PolarHBondContact O-N 3.3Å; D721-L723 PolarHBondContact O-N 3.31Å; D721-N724 CarbonylContact O-C 3.58Å; D721-N724 WeakPolarHBondContact O-CA 3.42Å; D721-N724 WeakPolarHBondContact O-CB 3.38Å; D721-N724 PolarHBondContact O-N 3.04Å; D721-Y725 PolarHBondContact O-N 3.22Å |
| 722 | F | 85.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 179.2 | -171.5 | -126 | 0 | 0 | 0 | 111.8 | L703 Y706 L707 Y710 F717 I718 L719 N724 Y725 L726 V735 | L703-F722 HydrophobicContact CD1-CE1 3.74Å; L703-F722 HydrophobicContact CD1-CZ 3.81Å; Y706-F722 WeakPolarHBondContact O-CE2 3.48Å; L707-F722 HydrophobicContact CB-CE2 4.48Å; L707-F722 HydrophobicContact CB-CZ 3.99Å; L707-F722 HydrophobicContact CD1-CE1 4.35Å; L707-F722 HydrophobicContact CD1-CZ 4.28Å; Y710-F722 HydrophobicContact CD1-CD2 4.06Å; Y710-F722 AromaticContact CD2-CD2 3.89Å; Y710-F722 HydrophobicContact CD2-CD2 3.89Å; Y710-F722 HydrophobicContact CE2-CB 4.43Å; Y710-F722 AromaticContact CG-CD2 3.6Å; Y710-F722 HydrophobicContact CG-CD2 3.6Å; Y710-F722 HydrophobicContact CG-CE2 4.22Å; F717-F722 HydrophobicContact CE2-CB 3.77Å; F717-F722 AromaticContact CE2-CD1 3.54Å; F717-F722 HydrophobicContact CE2-CD1 3.54Å; F717-F722 HydrophobicContact CE2-CE1 4.23Å; F717-F722 AromaticContact CE2-CG 3.73Å; F717-F722 HydrophobicContact CE2-CG 3.73Å; F717-F722 HydrophobicContact CZ-CB 4.33Å; F717-F722 HydrophobicContact CZ-CD1 4Å; F717-F722 HydrophobicContact CZ-CG 4.46Å; I718-F722 PolarHBondContact O-N 2.93Å; L719-F722 PolarHBondContact O-N 3.27Å; F722-N724 VanDerWaalsContact C-N 3.29Å; F722-N724 PolarHBondContact O-N 3.44Å; F722-Y725 HydrophobicContact CD2-CD1 4.2Å; F722-Y725 HydrophobicContact CE2-CD1 4.13Å; F722-Y725 WeakPolarHBondContact O-CB 3.29Å; F722-Y725 PolarHBondContact O-N 3.1Å; F722-L726 HydrophobicContact CD1-CD1 4.14Å; F722-L726 HydrophobicContact CE1-CD1 3.93Å; F722-L726 HydrophobicContact CE2-CD2 4.41Å; F722-L726 HydrophobicContact CE2-CG 4.41Å; F722-L726 HydrophobicContact CZ-CD1 4.19Å; F722-L726 HydrophobicContact CZ-CD2 4.25Å; F722-L726 HydrophobicContact CZ-CG 4.35Å; F722-L726 WeakPolarHBondContact O-CG 3.42Å; F722-L726 PolarHBondContact O-N 3.43Å; F722-V735 HydrophobicContact CD1-CG1 3.94Å; F722-V735 HydrophobicContact CD1-CG2 4.27Å; F722-V735 HydrophobicContact CE1-CG1 4.25Å; F722-V735 HydrophobicContact CE1-CG2 3.79Å |
| 723 | L | 84.5 | Confident | 79.6 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -26.5 | 170.7 | -67.8 | 174 | 0 | 0 | 0 | 114.1 | I256 L719 D721 K732 V735 I736 | I256-L723 HydrophobicContact CG2-CD1 4.38Å; L719-L723 HydrophobicContact CD1-CD1 4.45Å; L719-L723 HydrophobicContact CD1-CG 4.4Å; L719-L723 HydrophobicContact CG-CD1 4.35Å; L719-L723 VanDerWaalsContact O-CG 3.3Å; L719-L723 WeakPolarHBondContact O-CG 3.45Å; L719-L723 PolarHBondContact O-N 2.88Å; D721-L723 PolarHBondContact O-N 3.31Å; L723-K732 HydrophobicContact CD2-CB 3.88Å; L723-K732 HydrophobicContact CD2-CG 4.18Å; L723-K732 WeakPolarHBondContact O-CE 3.17Å; L723-V735 HydrophobicContact CD2-CB 4.14Å; L723-V735 HydrophobicContact CD2-CG1 3.91Å; L723-I736 HydrophobicContact CD1-CD1 4.26Å; L723-I736 HydrophobicContact CD1-CG1 3.88Å; L723-I736 HydrophobicContact CD2-CD1 4.13Å; L723-I736 HydrophobicContact CD2-CG1 3.87Å |
| 724 | N | 75.6 | Confident | 80.4 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -81.5 | -29.7 | 172.1 | -68.5 | -16.6 | 0 | 0 | 0 | 111.9 | R212 N267 A720 D721 F722 | R212-N724 PolarHBondContact NH1-ND2 3.48Å; N267-N724 PolarHBondContact ND2-OD1 3Å; A720-N724 PolarHBondContact O-ND2 2.86Å; D721-N724 CarbonylContact O-C 3.58Å; D721-N724 WeakPolarHBondContact O-CA 3.42Å; D721-N724 WeakPolarHBondContact O-CB 3.38Å; D721-N724 PolarHBondContact O-N 3.04Å; F722-N724 VanDerWaalsContact C-N 3.29Å; F722-N724 PolarHBondContact O-N 3.44Å |
| 725 | Y | 75 | Confident | 81.4 | Confident | 86 Ų | 86 | 54.3 Ų | 54.3 | 34% | 0.337 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 176 | -176 | -95.1 | 0 | 0 | 0 | 112 | Y706 S709 Y710 D721 F722 | Y706-Y725 HydrophobicContact CD1-CE1 4.4Å; S709-Y725 WeakPolarHBondContact CB-OH 3.3Å; S709-Y725 PolarHBondContact OG-OH 3.41Å; Y710-Y725 HydrophobicContact CD2-CD1 4.39Å; Y710-Y725 AromaticContact CD2-CD2 3.94Å; Y710-Y725 HydrophobicContact CD2-CD2 3.94Å; Y710-Y725 AromaticContact CD2-CG 3.87Å; Y710-Y725 HydrophobicContact CD2-CG 3.87Å; D721-Y725 PolarHBondContact O-N 3.22Å; F722-Y725 HydrophobicContact CD2-CD1 4.2Å; F722-Y725 HydrophobicContact CE2-CD1 4.13Å; F722-Y725 WeakPolarHBondContact O-CB 3.29Å; F722-Y725 PolarHBondContact O-N 3.1Å |
| 726 | L | 78.1 | Confident | 82 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | trans | -72.9 | 134 | 176.8 | -67.1 | 170.3 | 0 | 0 | 0 | 112.1 | Y706 F722 M731 K732 V735 | Y706-L726 HydrophobicContact CD1-CD2 4.47Å; Y706-L726 HydrophobicContact CD2-CD2 3.69Å; Y706-L726 HydrophobicContact CE2-CD2 4.33Å; Y706-L726 HydrophobicContact CG-CD2 3.8Å; F722-L726 HydrophobicContact CD1-CD1 4.14Å; F722-L726 HydrophobicContact CE1-CD1 3.93Å; F722-L726 HydrophobicContact CE2-CD2 4.41Å; F722-L726 HydrophobicContact CE2-CG 4.41Å; F722-L726 HydrophobicContact CZ-CD1 4.19Å; F722-L726 HydrophobicContact CZ-CD2 4.25Å; F722-L726 HydrophobicContact CZ-CG 4.35Å; F722-L726 WeakPolarHBondContact O-CG 3.42Å; F722-L726 PolarHBondContact O-N 3.43Å; L726-M731 HydrophobicContact CD1-CB 4.44Å; L726-M731 HydrophobicContact CD2-CB 4.38Å; L726-K732 HydrophobicContact CB-CG 3.94Å; L726-K732 WeakPolarHBondContact O-CE 3.42Å; L726-V735 HydrophobicContact CD1-CB 4.37Å; L726-V735 HydrophobicContact CD1-CG2 3.76Å | ||
| 727 | K | 73.5 | Confident | 82.5 | Confident | 193 Ų | 193 | 48.8 Ų | 48.8 | 84% | 0.839 | 23% | 0.228 | S | C | * | . | trans | -93 | -34.5 | -178.7 | -64.6 | 174.7 | -172.4 | 161.3 | 0 | 113.5 | ||||
| 728 | E | 77.2 | Confident | 82.7 | Confident | 110 Ų | 110 | 46.6 Ų | 46.6 | 51% | 0.514 | 22% | 0.219 | S | C | . | . | trans | -92.3 | 130.7 | -171.7 | -58.9 | -170.1 | 173.8 | 0 | 0 | 110.7 | E730 M731 K732 | E728-E730 VanDerWaalsContact C-N 3.29Å; E728-E730 PolarHBondContact O-N 3.49Å; E728-M731 HydrophobicContact CB-CB 4.39Å; E728-M731 HydrophobicContact CB-CG 4.49Å; E728-M731 PolarHBondContact O-N 3.08Å; E728-K732 PolarHBondContact O-N 2.95Å; E728-K732 VanDerWaalsContact O-N 3.1Å | ||
| 729 | E | 76.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.463 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.4 | -31.6 | -173.7 | -153.8 | 57.3 | -143 | 0 | 0 | 112.1 | M731 K732 Q733 | E729-M731 VanDerWaalsContact C-N 3.34Å; E729-M731 PolarHBondContact O-N 3.19Å; E729-K732 PolarHBondContact O-N 2.63Å; E729-K732 IonicContact OE2-NZ 3.77Å; E729-K732 PolarHBondContact OE2-NZ 3.4Å; E729-Q733 WeakPolarHBondContact O-CB 3.37Å; E729-Q733 PolarHBondContact O-N 2.73Å |
| 730 | E | 80 | Confident | 82.8 | Confident | 167 Ų | 167 | 44.1 Ų | 44.1 | 78% | 0.78 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.4 | -40.3 | 174.2 | -60.7 | -176.3 | -169.5 | 0 | 0 | 111.5 | E728 L734 | E728-E730 VanDerWaalsContact C-N 3.29Å; E728-E730 PolarHBondContact O-N 3.49Å; E730-L734 WeakPolarHBondContact O-CB 3.29Å; E730-L734 PolarHBondContact O-N 3.11Å |
| 731 | M | 85 | Confident | 83.2 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.054 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -41.7 | 174.9 | -80.7 | -67.6 | -178.7 | 0 | 0 | 112.6 | Q699 E702 L703 L726 E728 E729 Q733 L734 V735 | Q699-M731 HydrophobicContact CB-CE 4.28Å; Q699-M731 WeakPolarHBondContact O-CE 3.28Å; E702-M731 HydrophobicContact CB-CE 3.87Å; E702-M731 HydrophobicContact CG-CE 4.01Å; E702-M731 VanDerWaalsContact OE2-CE 3.24Å; E702-M731 WeakPolarHBondContact OE2-CE 3.32Å; L703-M731 HydrophobicContact CB-SD 4.32Å; L726-M731 HydrophobicContact CD1-CB 4.44Å; L726-M731 HydrophobicContact CD2-CB 4.38Å; E728-M731 HydrophobicContact CB-CB 4.39Å; E728-M731 HydrophobicContact CB-CG 4.49Å; E728-M731 PolarHBondContact O-N 3.08Å; E729-M731 VanDerWaalsContact C-N 3.34Å; E729-M731 PolarHBondContact O-N 3.19Å; M731-Q733 VanDerWaalsContact C-N 3.35Å; M731-Q733 PolarHBondContact O-N 2.76Å; M731-L734 WeakPolarHBondContact O-CB 3.46Å; M731-L734 PolarHBondContact O-N 3.45Å; M731-L734 HydrophobicContact SD-CD2 4.29Å; M731-V735 WeakPolarHBondContact O-CG2 3.32Å; M731-V735 PolarHBondContact O-N 2.68Å |
| 732 | K | 86 | Confident | 83 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 14% | 0.143 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.5 | -68.3 | -177.1 | -157.5 | 156.1 | 0 | 111.3 | L723 L726 E728 E729 L734 V735 I736 | L723-K732 HydrophobicContact CD2-CB 3.88Å; L723-K732 HydrophobicContact CD2-CG 4.18Å; L723-K732 WeakPolarHBondContact O-CE 3.17Å; L726-K732 HydrophobicContact CB-CG 3.94Å; L726-K732 WeakPolarHBondContact O-CE 3.42Å; E728-K732 PolarHBondContact O-N 2.95Å; E728-K732 VanDerWaalsContact O-N 3.1Å; E729-K732 PolarHBondContact O-N 2.63Å; E729-K732 IonicContact OE2-NZ 3.77Å; E729-K732 PolarHBondContact OE2-NZ 3.4Å; K732-L734 VanDerWaalsContact C-N 3.33Å; K732-L734 PolarHBondContact O-N 3.07Å; K732-V735 PolarHBondContact O-N 2.95Å; K732-I736 WeakPolarHBondContact O-CD1 3.32Å; K732-I736 VanDerWaalsContact O-CG1 3.31Å; K732-I736 WeakPolarHBondContact O-CG1 3.46Å; K732-I736 PolarHBondContact O-N 3.47Å |
| 733 | Q | 84.3 | Confident | 82.7 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 177.2 | -174.2 | 62.7 | 51.4 | 0 | 0 | 111.5 | H258 G263 E729 M731 V735 I736 D737 | H258-Q733 PolarHBondContact NE2-NE2 3.39Å; G263-Q733 VanDerWaalsContact C-OE1 3.27Å; G263-Q733 VanDerWaalsContact O-CD 3.32Å; G263-Q733 PolarHBondContact O-NE2 3.16Å; G263-Q733 PolarHBondContact O-OE1 3.49Å; E729-Q733 WeakPolarHBondContact O-CB 3.37Å; E729-Q733 PolarHBondContact O-N 2.73Å; M731-Q733 VanDerWaalsContact C-N 3.35Å; M731-Q733 PolarHBondContact O-N 2.76Å; Q733-V735 VanDerWaalsContact C-N 3.3Å; Q733-V735 PolarHBondContact O-N 2.91Å; Q733-I736 PolarHBondContact O-N 3.31Å; Q733-D737 PolarHBondContact NE2-OD1 3.11Å; Q733-D737 WeakPolarHBondContact O-CB 3.21Å; Q733-D737 PolarHBondContact O-N 3.17Å |
| 734 | L | 89.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 176.9 | -171.6 | 60.9 | 0 | 0 | 0 | 112.3 | R672 Q699 Y700 L703 E730 M731 K732 D737 I738 | R672-L734 VanDerWaalsContact NH2-CD1 3.25Å; Q699-L734 HydrophobicContact CB-CD2 4.19Å; Q699-L734 HydrophobicContact CG-CD2 4.07Å; Y700-L734 HydrophobicContact CD1-CD2 4.14Å; Y700-L734 HydrophobicContact CE1-CD1 3.91Å; Y700-L734 HydrophobicContact CE1-CD2 4.06Å; Y700-L734 HydrophobicContact CE1-CG 4.35Å; L703-L734 HydrophobicContact CD2-CD2 4.16Å; L703-L734 HydrophobicContact CD2-CG 4.3Å; E730-L734 WeakPolarHBondContact O-CB 3.29Å; E730-L734 PolarHBondContact O-N 3.11Å; M731-L734 WeakPolarHBondContact O-CB 3.46Å; M731-L734 PolarHBondContact O-N 3.45Å; M731-L734 HydrophobicContact SD-CD2 4.29Å; K732-L734 VanDerWaalsContact C-N 3.33Å; K732-L734 PolarHBondContact O-N 3.07Å; L734-D737 WeakPolarHBondContact O-CB 3.39Å; L734-I738 HydrophobicContact CG-CD1 4.15Å; L734-I738 WeakPolarHBondContact O-CD1 3.4Å; L734-I738 WeakPolarHBondContact O-CG1 3.33Å; L734-I738 PolarHBondContact O-N 3.14Å |
| 735 | V | 91.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 176.4 | 167.9 | 0 | 0 | 0 | 0 | 112.1 | M679 L703 L719 F722 L723 L726 M731 K732 Q733 I738 S739 | M679-V735 HydrophobicContact CE-CG1 4.23Å; M679-V735 HydrophobicContact CE-CG2 4.04Å; L703-V735 HydrophobicContact CD1-CG2 3.39Å; L703-V735 HydrophobicContact CD2-CG2 3.8Å; L703-V735 HydrophobicContact CG-CG2 4.27Å; L719-V735 HydrophobicContact CD1-CG1 3.48Å; L719-V735 VanDerWaalsContact CD1-CG1 3.48Å; F722-V735 HydrophobicContact CD1-CG1 3.94Å; F722-V735 HydrophobicContact CD1-CG2 4.27Å; F722-V735 HydrophobicContact CE1-CG1 4.25Å; F722-V735 HydrophobicContact CE1-CG2 3.79Å; L723-V735 HydrophobicContact CD2-CB 4.14Å; L723-V735 HydrophobicContact CD2-CG1 3.91Å; L726-V735 HydrophobicContact CD1-CB 4.37Å; L726-V735 HydrophobicContact CD1-CG2 3.76Å; M731-V735 WeakPolarHBondContact O-CG2 3.32Å; M731-V735 PolarHBondContact O-N 2.68Å; K732-V735 PolarHBondContact O-N 2.95Å; Q733-V735 VanDerWaalsContact C-N 3.3Å; Q733-V735 PolarHBondContact O-N 2.91Å; V735-I738 PolarHBondContact O-N 2.84Å; V735-S739 WeakPolarHBondContact O-CB 3.29Å; V735-S739 PolarHBondContact O-N 3.04Å |
| 736 | I | 88.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -48.6 | 175.6 | -66.6 | 154.1 | 0 | 0 | 0 | 110.1 | H258 G265 L723 K732 Q733 I738 S739 M740 | H258-I736 HydrophobicContact CB-CG2 4Å; G265-I736 WeakPolarHBondContact O-CD1 3.33Å; L723-I736 HydrophobicContact CD1-CD1 4.26Å; L723-I736 HydrophobicContact CD1-CG1 3.88Å; L723-I736 HydrophobicContact CD2-CD1 4.13Å; L723-I736 HydrophobicContact CD2-CG1 3.87Å; K732-I736 WeakPolarHBondContact O-CD1 3.32Å; K732-I736 VanDerWaalsContact O-CG1 3.31Å; K732-I736 WeakPolarHBondContact O-CG1 3.46Å; K732-I736 PolarHBondContact O-N 3.47Å; Q733-I736 PolarHBondContact O-N 3.31Å; I736-I738 VanDerWaalsContact C-N 3.31Å; I736-I738 PolarHBondContact O-N 3.41Å; I736-S739 PolarHBondContact O-N 3.04Å; I736-S739 PolarHBondContact O-OG 3.42Å; I736-M740 WeakPolarHBondContact O-CG 3.41Å; I736-M740 PolarHBondContact O-N 3.42Å; I736-M740 VanDerWaalsContact O-N 3.13Å |
| 737 | D | 88.4 | Confident | 82.4 | Confident | 54 Ų | 54 | 66 Ų | 66 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -51.2 | -48.4 | 173.8 | -89.6 | 25 | 0 | 0 | 0 | 112 | H258 R672 Q733 L734 M740 | H258-D737 IonicContact NE2-OD1 3.16Å; R672-D737 IonicContact CZ-OD2 3.46Å; R672-D737 IonicContact NH1-OD2 2.7Å; R672-D737 PolarHBondContact NH1-OD2 2.94Å; R672-D737 IonicContact NH2-OD2 2.68Å; Q733-D737 PolarHBondContact NE2-OD1 3.11Å; Q733-D737 WeakPolarHBondContact O-CB 3.21Å; Q733-D737 PolarHBondContact O-N 3.17Å; L734-D737 WeakPolarHBondContact O-CB 3.39Å; D737-M740 PolarHBondContact O-N 3.05Å |
| 738 | I | 91.7 | Very high | 83 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 179.7 | -70.7 | 165.6 | 0 | 0 | 0 | 110.6 | R672 L675 Y676 M679 L703 L734 V735 I736 M740 I741 | R672-I738 HydrophobicContact CB-CG1 3.98Å; R672-I738 HydrophobicContact CG-CD1 4.1Å; R672-I738 HydrophobicContact CG-CG1 3.77Å; L675-I738 HydrophobicContact CB-CD1 4.29Å; L675-I738 HydrophobicContact CD1-CD1 4.13Å; Y676-I738 HydrophobicContact CD2-CG2 4.49Å; Y676-I738 WeakPolarHBondContact CD2-O 3.32Å; M679-I738 HydrophobicContact CE-CB 4.39Å; M679-I738 HydrophobicContact CE-CD1 4.42Å; M679-I738 HydrophobicContact CE-CG2 3.94Å; M679-I738 HydrophobicContact SD-CG2 3.88Å; L703-I738 HydrophobicContact CD2-CD1 3.7Å; L734-I738 HydrophobicContact CG-CD1 4.15Å; L734-I738 WeakPolarHBondContact O-CD1 3.4Å; L734-I738 WeakPolarHBondContact O-CG1 3.33Å; L734-I738 PolarHBondContact O-N 3.14Å; V735-I738 PolarHBondContact O-N 2.84Å; I736-I738 VanDerWaalsContact C-N 3.31Å; I736-I738 PolarHBondContact O-N 3.41Å; I738-M740 PolarHBondContact O-N 3.26Å; I738-M740 VanDerWaalsContact O-N 3.16Å; I738-I741 HydrophobicContact CG2-CD1 4.44Å; I738-I741 WeakPolarHBondContact O-CB 3.38Å; I738-I741 WeakPolarHBondContact O-CD1 3.17Å; I738-I741 WeakPolarHBondContact O-CG1 3.2Å; I738-I741 PolarHBondContact O-N 2.85Å; I738-I741 VanDerWaalsContact O-N 3.12Å |
| 739 | S | 87.8 | Confident | 83.3 | Confident | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -22.1 | -179.4 | 78.1 | 0 | 0 | 0 | 0 | 114 | K254 L719 V735 I736 | K254-S739 PolarHBondContact NZ-O 3.25Å; L719-S739 VanDerWaalsContact CD2-CB 3.48Å; V735-S739 WeakPolarHBondContact O-CB 3.29Å; V735-S739 PolarHBondContact O-N 3.04Å; I736-S739 PolarHBondContact O-N 3.04Å; I736-S739 PolarHBondContact O-OG 3.42Å |
| 740 | M | 83.2 | Confident | 83.8 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 17% | 0.172 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0.1 | 179.1 | -72.6 | -64.1 | -168.1 | 0 | 0 | 113.9 | A251 I256 H258 I736 D737 I738 S742 | A251-M740 HydrophobicContact CB-CE 4.25Å; I256-M740 HydrophobicContact CD1-CE 3.5Å; I256-M740 HydrophobicContact CD1-SD 4.33Å; I256-M740 HydrophobicContact CG1-CE 3.88Å; H258-M740 HydrophobicContact CB-CE 3.77Å; I736-M740 WeakPolarHBondContact O-CG 3.41Å; I736-M740 PolarHBondContact O-N 3.42Å; I736-M740 VanDerWaalsContact O-N 3.13Å; D737-M740 PolarHBondContact O-N 3.05Å; I738-M740 PolarHBondContact O-N 3.26Å; I738-M740 VanDerWaalsContact O-N 3.16Å; M740-S742 PolarHBondContact O-N 3.22Å |
| 741 | I | 86.1 | Confident | 84.2 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | trans | -66.6 | 131 | 173.5 | -55.7 | 169 | 0 | 0 | 0 | 109.3 | R672 I738 M743 | R672-I741 HydrophobicContact CB-CD1 3.96Å; I738-I741 HydrophobicContact CG2-CD1 4.44Å; I738-I741 WeakPolarHBondContact O-CB 3.38Å; I738-I741 WeakPolarHBondContact O-CD1 3.17Å; I738-I741 WeakPolarHBondContact O-CG1 3.2Å; I738-I741 PolarHBondContact O-N 2.85Å; I738-I741 VanDerWaalsContact O-N 3.12Å; I741-M743 HydrophobicContact CG2-CG 3.7Å; I741-M743 HydrophobicContact CG2-SD 3.98Å; I741-M743 PolarHBondContact O-N 3.18Å | ||
| 742 | S | 75.3 | Confident | 84.5 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 87% | 0.867 | 32% | 0.317 | S | S | * | . | trans | -86.7 | 104.1 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | M740 | M740-S742 PolarHBondContact O-N 3.22Š| ||
| 743 | M | 79.5 | Confident | 84.6 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | trans | -124.4 | 175.7 | 176.8 | -64.3 | -175.4 | 56 | 0 | 0 | 111.2 | M673 Y676 R677 I741 E751 | M673-M743 HydrophobicContact CB-CE 4.24Å; M673-M743 HydrophobicContact CB-SD 4.09Å; M673-M743 HydrophobicContact CE-CE 3.66Å; M673-M743 HydrophobicContact CE-SD 4.17Å; M673-M743 HydrophobicContact CG-CE 4.33Å; M673-M743 HydrophobicContact CG-SD 3.84Å; Y676-M743 HydrophobicContact CD1-CB 4.33Å; Y676-M743 HydrophobicContact CD1-CE 4.38Å; Y676-M743 HydrophobicContact CD1-CG 4.33Å; Y676-M743 HydrophobicContact CD1-SD 3.58Å; Y676-M743 VanDerWaalsContact CD1-SD 3.58Å; Y676-M743 HydrophobicContact CE1-CB 3.85Å; Y676-M743 HydrophobicContact CE1-CG 4.28Å; Y676-M743 HydrophobicContact CE1-SD 4.12Å; Y676-M743 HydrophobicContact CG-SD 4.1Å; R677-M743 HydrophobicContact CG-CE 4.5Å; I741-M743 HydrophobicContact CG2-CG 3.7Å; I741-M743 HydrophobicContact CG2-SD 3.98Å; I741-M743 PolarHBondContact O-N 3.18Å; M743-E751 WeakPolarHBondContact CE-OE1 3.31Å | ||
| 744 | S | 77.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 67 Ų | 67 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | trans | -70.1 | 145.3 | 167 | 56 | 0 | 0 | 0 | 0 | 110.4 | R677 D746 | R677-S744 PolarHBondContact NH1-O 3.03Å; R677-S744 VanDerWaalsContact NH1-O 3.09Å; R677-S744 PolarHBondContact NH2-O 2.93Å; R677-S744 PolarHBondContact NH2-OG 2.92Å; R677-S744 VanDerWaalsContact NH2-OG 3.1Å; S744-D746 PolarHBondContact OG-O 3.44Å | ||
| 745 | E | 70.3 | Confident | 84.9 | Confident | 165 Ų | 165 | 67.2 Ų | 67.2 | 77% | 0.771 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -58.3 | -54.7 | 177.2 | -69.3 | 171.5 | -176.4 | 0 | 0 | 109.8 | R677 | R677-E745 PolarHBondContact NH1-O 3.37Å; R677-E745 VanDerWaalsContact NH1-O 3.11Å |
| 746 | D | 75.9 | Confident | 84.8 | Confident | 136 Ų | 136 | 68.5 Ų | 68.5 | 73% | 0.727 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -78 | 144.7 | 172.8 | -54.3 | -58.7 | 0 | 0 | 0 | 112.9 | R677 S744 | R677-D746 VanDerWaalsContact NH1-C 3.28Å; R677-D746 PolarHBondContact NH1-O 3.03Å; R677-D746 PolarHBondContact NH2-O 2.92Å; R677-D746 VanDerWaalsContact NH2-O 3.1Å; S744-D746 PolarHBondContact OG-O 3.44Å |
| 747 | S | 83.5 | Confident | 84.8 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 25% | 0.245 | 36% | 0.36 | C | S | . | . | trans | -86.9 | 175.9 | 162.4 | 75.4 | 0 | 0 | 0 | 0 | 112 | R677 E681 | R677-S747 VanDerWaalsContact CZ-CA 3.49Å; E681-S747 VanDerWaalsContact OE1-CB 3.31Å; E681-S747 WeakPolarHBondContact OE1-CB 3.45Å; E681-S747 WeakPolarHBondContact OE2-CB 3.47Å; E681-S747 PolarHBondContact OE2-OG 2.74Å | ||
| 748 | N | 85 | Confident | 84.8 | Confident | 82 Ų | 82 | 70.6 Ų | 70.6 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | trans | -139.9 | 148.4 | 164.1 | 62.4 | 93.6 | 0 | 0 | 0 | 109.4 | R750 E751 I752 | N748-R750 PolarHBondContact O-N 3.22Å; N748-R750 WeakPolarHBondContact OD1-CB 3.34Å; N748-R750 PolarHBondContact OD1-N 2.98Å; N748-E751 PolarHBondContact ND2-OE2 2.95Å; N748-E751 WeakPolarHBondContact O-CB 3.12Å; N748-E751 PolarHBondContact O-N 3.31Å; N748-E751 PolarHBondContact OD1-N 3.09Å; N748-I752 PolarHBondContact O-N 3.3Å | ||
| 749 | E | 83.9 | Confident | 84.6 | Confident | 181 Ų | 181 | 70.6 Ų | 70.6 | 85% | 0.846 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -52.6 | -33.6 | -176 | -63.4 | -179.4 | 165.1 | 0 | 0 | 113.3 | I752 Y753 | E749-I752 PolarHBondContact O-N 3.34Å; E749-Y753 VanDerWaalsContact O-CB 3.29Å; E749-Y753 WeakPolarHBondContact O-CB 3.16Å; E749-Y753 PolarHBondContact O-N 3.05Å |
| 750 | R | 86 | Confident | 84.5 | Confident | 184 Ų | 184 | 72.4 Ų | 72.4 | 69% | 0.694 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.5 | -39.5 | 179.6 | -175.8 | 178.6 | -179 | 165.5 | 4.6 | 112.7 | N748 D754 | N748-R750 PolarHBondContact O-N 3.22Å; N748-R750 WeakPolarHBondContact OD1-CB 3.34Å; N748-R750 PolarHBondContact OD1-N 2.98Å; R750-D754 IonicContact NE-OD2 3.78Å; R750-D754 VanDerWaalsContact O-CB 3.27Å; R750-D754 WeakPolarHBondContact O-CB 3.36Å; R750-D754 PolarHBondContact O-N 2.86Å |
| 751 | E | 89.3 | Confident | 84.5 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 16% | 0.159 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 172.2 | 178.1 | -168.6 | 152.6 | 0 | 0 | 110.4 | R677 M743 N748 Y753 D754 L755 | R677-E751 IonicContact CZ-OE1 2.95Å; R677-E751 IonicContact CZ-OE2 2.73Å; R677-E751 IonicContact NE-OE1 3.83Å; R677-E751 PolarHBondContact NE-OE1 2.88Å; R677-E751 IonicContact NE-OE2 3.27Å; R677-E751 IonicContact NH2-OE1 2.71Å; R677-E751 PolarHBondContact NH2-OE1 3.3Å; R677-E751 IonicContact NH2-OE2 3.74Å; R677-E751 PolarHBondContact NH2-OE2 3.21Å; M743-E751 WeakPolarHBondContact CE-OE1 3.31Å; N748-E751 PolarHBondContact ND2-OE2 2.95Å; N748-E751 WeakPolarHBondContact O-CB 3.12Å; N748-E751 PolarHBondContact O-N 3.31Å; N748-E751 PolarHBondContact OD1-N 3.09Å; E751-Y753 PolarHBondContact O-N 3.23Å; E751-D754 PolarHBondContact O-N 2.85Å; E751-L755 HydrophobicContact CG-CD1 4.11Å; E751-L755 WeakPolarHBondContact O-CB 3.28Å; E751-L755 VanDerWaalsContact O-CG 3.29Å; E751-L755 WeakPolarHBondContact O-CG 3.38Å; E751-L755 PolarHBondContact O-N 3.37Å |
| 752 | I | 90.9 | Very high | 84.3 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 5% | 0.046 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -44.5 | -178.7 | -53.8 | -49.6 | 0 | 0 | 0 | 110.7 | L674 R677 I684 N748 E749 L755 M756 | L674-I752 HydrophobicContact CD1-CG2 4.17Å; R677-I752 HydrophobicContact CB-CD1 4.13Å; R677-I752 HydrophobicContact CG-CD1 3.73Å; I684-I752 HydrophobicContact CD1-CD1 3.61Å; I684-I752 HydrophobicContact CD1-CG1 3.77Å; I684-I752 HydrophobicContact CG1-CG1 4.5Å; I684-I752 HydrophobicContact CG2-CG2 4.23Å; N748-I752 PolarHBondContact O-N 3.3Å; E749-I752 PolarHBondContact O-N 3.34Å; I752-L755 PolarHBondContact O-N 2.86Å; I752-M756 HydrophobicContact CG2-CG 4.42Å; I752-M756 HydrophobicContact CG2-SD 3.87Å; I752-M756 WeakPolarHBondContact O-CB 3.36Å; I752-M756 VanDerWaalsContact O-CG 3.25Å; I752-M756 WeakPolarHBondContact O-CG 3.24Å; I752-M756 PolarHBondContact O-N 3.18Å |
| 753 | Y | 88.3 | Confident | 84.4 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.5 | 179.6 | -101.6 | 0 | 0 | 0 | 112.9 | E749 E751 R757 | E749-Y753 VanDerWaalsContact O-CB 3.29Å; E749-Y753 WeakPolarHBondContact O-CB 3.16Å; E749-Y753 PolarHBondContact O-N 3.05Å; E751-Y753 PolarHBondContact O-N 3.23Å; Y753-R757 VanDerWaalsContact O-CB 3.23Å; Y753-R757 WeakPolarHBondContact O-CB 3.31Å; Y753-R757 PolarHBondContact O-N 3.13Å |
| 754 | D | 88.6 | Confident | 84.5 | Confident | 52 Ų | 52 | 67.2 Ų | 67.2 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 177.8 | -79.9 | -30.1 | 0 | 0 | 0 | 111.6 | R750 E751 R757 V758 | R750-D754 IonicContact NE-OD2 3.78Å; R750-D754 VanDerWaalsContact O-CB 3.27Å; R750-D754 WeakPolarHBondContact O-CB 3.36Å; R750-D754 PolarHBondContact O-N 2.86Å; E751-D754 PolarHBondContact O-N 2.85Å; D754-R757 IonicContact OD1-CZ 2.77Å; D754-R757 IonicContact OD1-NH1 2.71Å; D754-R757 PolarHBondContact OD1-NH1 3.29Å; D754-R757 IonicContact OD1-NH2 3.9Å; D754-R757 PolarHBondContact OD1-NH2 3.05Å; D754-V758 WeakPolarHBondContact O-CG2 3.49Å; D754-V758 PolarHBondContact O-N 3.49Å; D754-V758 VanDerWaalsContact O-N 3.11Å |
| 755 | L | 92.2 | Very high | 84.7 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.4 | -53.1 | 173.7 | -71.9 | 172.6 | 0 | 0 | 0 | 111.6 | A670 M673 L674 E751 I752 R757 V758 I759 | A670-L755 HydrophobicContact CB-CD2 3.95Å; M673-L755 HydrophobicContact CB-CD1 4.04Å; M673-L755 HydrophobicContact CB-CD2 3.92Å; M673-L755 HydrophobicContact CE-CD2 4.25Å; M673-L755 HydrophobicContact SD-CD2 4.24Å; L674-L755 HydrophobicContact CB-CD1 4.47Å; E751-L755 HydrophobicContact CG-CD1 4.11Å; E751-L755 WeakPolarHBondContact O-CB 3.28Å; E751-L755 VanDerWaalsContact O-CG 3.29Å; E751-L755 WeakPolarHBondContact O-CG 3.38Å; E751-L755 PolarHBondContact O-N 3.37Å; I752-L755 PolarHBondContact O-N 2.86Å; L755-R757 VanDerWaalsContact C-N 3.3Å; L755-R757 PolarHBondContact O-N 3.33Å; L755-V758 PolarHBondContact O-N 3.49Å; L755-V758 VanDerWaalsContact O-N 3.16Å; L755-I759 WeakPolarHBondContact O-CG1 3.47Å; L755-I759 PolarHBondContact O-N 3.46Å; L755-I759 VanDerWaalsContact O-N 3.1Å |
| 756 | M | 89.6 | Confident | 85.1 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -44.2 | 177.2 | -71.5 | 171.5 | 68.6 | 0 | 0 | 111.2 | L674 L688 M691 F693 I752 V758 I759 S760 | L674-M756 HydrophobicContact CD1-CG 4.46Å; L674-M756 HydrophobicContact CD2-CG 4.05Å; L688-M756 HydrophobicContact CD2-CE 3.86Å; L688-M756 HydrophobicContact CD2-CG 4.17Å; L688-M756 HydrophobicContact CD2-SD 3.87Å; M691-M756 HydrophobicContact CE-CE 3.89Å; M691-M756 HydrophobicContact SD-CE 3.33Å; M691-M756 WeakPolarHBondContact SD-CE 3.35Å; F693-M756 HydrophobicContact CD2-CE 3.94Å; F693-M756 HydrophobicContact CE2-CB 3.94Å; F693-M756 HydrophobicContact CE2-CE 3.96Å; F693-M756 HydrophobicContact CE2-CG 3.92Å; F693-M756 HydrophobicContact CZ-CB 4.22Å; F693-M756 HydrophobicContact CZ-CG 4.14Å; I752-M756 HydrophobicContact CG2-CG 4.42Å; I752-M756 HydrophobicContact CG2-SD 3.87Å; I752-M756 WeakPolarHBondContact O-CB 3.36Å; I752-M756 VanDerWaalsContact O-CG 3.25Å; I752-M756 WeakPolarHBondContact O-CG 3.24Å; I752-M756 PolarHBondContact O-N 3.18Å; M756-V758 PolarHBondContact O-N 3.4Å; M756-I759 PolarHBondContact O-N 3.09Å; M756-S760 PolarHBondContact O-N 3.21Å; M756-S760 PolarHBondContact O-OG 3.32Å |
| 757 | R | 87.1 | Confident | 85.4 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 177.3 | -171.7 | -179.6 | 70.2 | -115 | -12.7 | 112.1 | Y753 D754 L755 I759 Q761 A804 | Y753-R757 VanDerWaalsContact O-CB 3.23Å; Y753-R757 WeakPolarHBondContact O-CB 3.31Å; Y753-R757 PolarHBondContact O-N 3.13Å; D754-R757 IonicContact OD1-CZ 2.77Å; D754-R757 IonicContact OD1-NH1 2.71Å; D754-R757 PolarHBondContact OD1-NH1 3.29Å; D754-R757 IonicContact OD1-NH2 3.9Å; D754-R757 PolarHBondContact OD1-NH2 3.05Å; L755-R757 VanDerWaalsContact C-N 3.3Å; L755-R757 PolarHBondContact O-N 3.33Å; R757-I759 VanDerWaalsContact C-N 3.34Å; R757-I759 PolarHBondContact O-N 2.89Å; R757-Q761 HydrophobicContact CG-CG 4.01Å; R757-Q761 VanDerWaalsContact O-CB 3.23Å; R757-Q761 WeakPolarHBondContact O-CB 3.21Å; R757-Q761 VanDerWaalsContact O-CG 3.25Å; R757-Q761 WeakPolarHBondContact O-CG 3.44Å; R757-Q761 PolarHBondContact O-N 3.02Å; R757-A804 WeakPolarHBondContact CD-O 3.42Å; R757-A804 WeakPolarHBondContact CG-O 3.45Å |
| 758 | V | 88.4 | Confident | 85.5 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.6 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | K666 A670 D754 L755 M756 S762 | K666-V758 HydrophobicContact CD-CG1 4.39Å; K666-V758 HydrophobicContact CG-CG1 4.34Å; A670-V758 HydrophobicContact CB-CB 4.27Å; A670-V758 HydrophobicContact CB-CG1 3.82Å; D754-V758 WeakPolarHBondContact O-CG2 3.49Å; D754-V758 PolarHBondContact O-N 3.49Å; D754-V758 VanDerWaalsContact O-N 3.11Å; L755-V758 PolarHBondContact O-N 3.49Å; L755-V758 VanDerWaalsContact O-N 3.16Å; M756-V758 PolarHBondContact O-N 3.4Å; V758-S762 WeakPolarHBondContact O-CB 3.16Å; V758-S762 PolarHBondContact O-N 2.93Å; V758-S762 VanDerWaalsContact O-N 3.1Å; V758-S762 PolarHBondContact O-OG 2.82Å |
| 759 | I | 89.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -50.5 | -179.5 | -61.8 | 165.4 | 0 | 0 | 0 | 110.3 | A670 E671 L674 F693 F695 I696 L755 M756 R757 Q761 S762 G763 | A670-I759 HydrophobicContact CB-CD1 4.35Å; A670-I759 HydrophobicContact CB-CG1 3.95Å; E671-I759 HydrophobicContact CB-CD1 4.49Å; E671-I759 HydrophobicContact CG-CD1 3.9Å; E671-I759 HydrophobicContact CG-CG1 3.87Å; E671-I759 HydrophobicContact CG-CG2 4.38Å; L674-I759 HydrophobicContact CB-CD1 4.24Å; L674-I759 HydrophobicContact CD2-CD1 3.59Å; F693-I759 HydrophobicContact CE1-CB 4.45Å; F693-I759 HydrophobicContact CE1-CD1 4.2Å; F693-I759 HydrophobicContact CE1-CG2 3.93Å; F693-I759 HydrophobicContact CZ-CB 3.97Å; F693-I759 HydrophobicContact CZ-CD1 4.2Å; F693-I759 HydrophobicContact CZ-CG2 3.82Å; F695-I759 HydrophobicContact CE1-CD1 4.42Å; I696-I759 HydrophobicContact CD1-CG2 4.12Å; I696-I759 WeakPolarHBondContact CD1-O 3.36Å; I696-I759 HydrophobicContact CG1-CG2 4.02Å; L755-I759 WeakPolarHBondContact O-CG1 3.47Å; L755-I759 PolarHBondContact O-N 3.46Å; L755-I759 VanDerWaalsContact O-N 3.1Å; M756-I759 PolarHBondContact O-N 3.09Å; R757-I759 VanDerWaalsContact C-N 3.34Å; R757-I759 PolarHBondContact O-N 2.89Å; I759-Q761 PolarHBondContact O-N 3.45Å; I759-S762 PolarHBondContact O-N 2.82Å; I759-G763 PolarHBondContact O-N 3.36Å |
| 760 | S | 85.1 | Confident | 85.5 | Confident | 44 Ų | 44 | 54.9 Ų | 54.9 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 113.1 | M756 I764 | M756-S760 PolarHBondContact O-N 3.21Å; M756-S760 PolarHBondContact O-OG 3.32Å; S760-I764 WeakPolarHBondContact O-CD1 3.18Å; S760-I764 VanDerWaalsContact O-CG1 3.25Å; S760-I764 WeakPolarHBondContact O-CG1 3.47Å; S760-I764 PolarHBondContact O-N 3.47Å |
| 761 | Q | 82.7 | Confident | 85.6 | Confident | 58 Ų | 58 | 49 Ų | 49 | 27% | 0.271 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.9 | -44.2 | 177.6 | -74.3 | -179.1 | -18 | 0 | 0 | 111.9 | R757 I759 A765 L801 A804 | R757-Q761 HydrophobicContact CG-CG 4.01Å; R757-Q761 VanDerWaalsContact O-CB 3.23Å; R757-Q761 WeakPolarHBondContact O-CB 3.21Å; R757-Q761 VanDerWaalsContact O-CG 3.25Å; R757-Q761 WeakPolarHBondContact O-CG 3.44Å; R757-Q761 PolarHBondContact O-N 3.02Å; I759-Q761 PolarHBondContact O-N 3.45Å; Q761-A765 WeakPolarHBondContact O-CB 3.48Å; Q761-A765 PolarHBondContact O-N 3.13Å; Q761-L801 HydrophobicContact CB-CD1 3.98Å; Q761-L801 HydrophobicContact CG-CD1 4.19Å; Q761-L801 VanDerWaalsContact O-CD1 3.32Å; Q761-L801 WeakPolarHBondContact O-CD1 3.45Å; Q761-A804 HydrophobicContact CG-CB 4.28Å; Q761-A804 PolarHBondContact NE2-O 3.14Å; Q761-A804 PolarHBondContact NE2-OXT 2.79Å |
| 762 | S | 81.9 | Confident | 85.7 | Confident | 27 Ų | 27 | 52 Ų | 52 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.7 | -37.1 | 178.1 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | E667 V758 I759 A765 E766 | E667-S762 PolarHBondContact OE1-OG 2.97Å; V758-S762 WeakPolarHBondContact O-CB 3.16Å; V758-S762 PolarHBondContact O-N 2.93Å; V758-S762 VanDerWaalsContact O-N 3.1Å; V758-S762 PolarHBondContact O-OG 2.82Å; I759-S762 PolarHBondContact O-N 2.82Å; S762-A765 PolarHBondContact O-N 2.67Å; S762-E766 PolarHBondContact O-N 3.17Å |
| 763 | G | 77.5 | Confident | 85.6 | Confident | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I759 A765 E766 E767 | I759-G763 PolarHBondContact O-N 3.36Å; G763-A765 VanDerWaalsContact C-N 3.3Å; G763-A765 PolarHBondContact O-N 2.94Å; G763-E766 PolarHBondContact O-N 3.37Å; G763-E767 PolarHBondContact O-N 2.6Å |
| 764 | I | 80.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 175.8 | -61.2 | 161.8 | 0 | 0 | 0 | 111.1 | S760 E767 I768 L797 R800 L801 A804 | S760-I764 WeakPolarHBondContact O-CD1 3.18Å; S760-I764 VanDerWaalsContact O-CG1 3.25Å; S760-I764 WeakPolarHBondContact O-CG1 3.47Å; S760-I764 PolarHBondContact O-N 3.47Å; I764-E767 PolarHBondContact O-N 3.39Å; I764-I768 HydrophobicContact CG2-CD1 4.01Å; I764-I768 HydrophobicContact CG2-CG1 4.44Å; I764-I768 VanDerWaalsContact O-CG1 3.27Å; I764-I768 WeakPolarHBondContact O-CG1 3.38Å; I764-I768 PolarHBondContact O-N 3.13Å; I764-L797 HydrophobicContact CG2-CB 4.28Å; I764-L797 HydrophobicContact CG2-CD2 4.49Å; I764-L797 WeakPolarHBondContact CG2-O 3.36Å; I764-R800 HydrophobicContact CD1-CB 4.19Å; I764-L801 HydrophobicContact CB-CD1 4.27Å; I764-L801 HydrophobicContact CG2-CB 3.78Å; I764-L801 HydrophobicContact CG2-CD1 4.4Å; I764-A804 HydrophobicContact CD1-CB 4.13Å |
| 765 | A | 82.3 | Confident | 85.8 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 37% | 0.372 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q761 S762 G763 I768 K769 | Q761-A765 WeakPolarHBondContact O-CB 3.48Å; Q761-A765 PolarHBondContact O-N 3.13Å; S762-A765 PolarHBondContact O-N 2.67Å; G763-A765 VanDerWaalsContact C-N 3.3Å; G763-A765 PolarHBondContact O-N 2.94Å; A765-I768 PolarHBondContact O-N 2.83Å; A765-K769 PolarHBondContact O-N 3.38Å; A765-K769 VanDerWaalsContact O-N 3.09Å |
| 766 | E | 79.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 57.4 Ų | 57.4 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 175.4 | -159.1 | 66.4 | -144.5 | 0 | 0 | 111 | S762 G763 K769 Q770 | S762-E766 PolarHBondContact O-N 3.17Å; G763-E766 PolarHBondContact O-N 3.37Å; E766-K769 WeakPolarHBondContact O-CB 3.49Å; E766-K769 PolarHBondContact O-N 3.19Å; E766-K769 IonicContact OE1-NZ 2.59Å; E766-K769 PolarHBondContact OE1-NZ 3.46Å; E766-K769 IonicContact OE2-NZ 3.33Å; E766-Q770 WeakPolarHBondContact O-CG 3.41Å; E766-Q770 PolarHBondContact O-N 3.34Å |
| 767 | E | 80.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 29% | 0.29 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.6 | -163.7 | -173.1 | 173.8 | 0 | 0 | 111.6 | G763 I764 K769 Q770 R771 L797 | G763-E767 PolarHBondContact O-N 2.6Å; I764-E767 PolarHBondContact O-N 3.39Å; E767-K769 VanDerWaalsContact C-N 3.25Å; E767-K769 PolarHBondContact O-N 3.39Å; E767-Q770 PolarHBondContact O-N 2.81Å; E767-R771 HydrophobicContact CG-CG 4.47Å; E767-R771 WeakPolarHBondContact O-CG 3.21Å; E767-R771 PolarHBondContact O-N 3.28Å; E767-R771 IonicContact OE1-CZ 3.68Å; E767-R771 IonicContact OE1-NE 3.86Å; E767-R771 PolarHBondContact OE1-NE 2.82Å; E767-R771 IonicContact OE1-NH2 2.96Å; E767-R771 PolarHBondContact OE1-NH2 3.13Å; E767-L797 HydrophobicContact CB-CD1 4.27Å; E767-L797 HydrophobicContact CG-CD1 3.83Å; E767-L797 WeakPolarHBondContact OE2-CD2 3.44Å |
| 768 | I | 86.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.4 | -43.2 | 175.1 | -74.2 | 166.6 | 0 | 0 | 0 | 111 | I764 A765 R771 Q772 I794 L797 L801 | I764-I768 HydrophobicContact CG2-CD1 4.01Å; I764-I768 HydrophobicContact CG2-CG1 4.44Å; I764-I768 VanDerWaalsContact O-CG1 3.27Å; I764-I768 WeakPolarHBondContact O-CG1 3.38Å; I764-I768 PolarHBondContact O-N 3.13Å; A765-I768 PolarHBondContact O-N 2.83Å; I768-R771 PolarHBondContact O-N 3.28Å; I768-Q772 HydrophobicContact CG2-CG 4.41Å; I768-Q772 WeakPolarHBondContact O-CB 3.36Å; I768-Q772 VanDerWaalsContact O-CG 3.27Å; I768-Q772 WeakPolarHBondContact O-CG 3.21Å; I768-Q772 PolarHBondContact O-N 3.49Å; I768-I794 HydrophobicContact CG2-CG2 4.44Å; I768-L797 HydrophobicContact CD1-CB 4.01Å; I768-L797 HydrophobicContact CG1-CB 3.47Å; I768-L797 VanDerWaalsContact CG1-CB 3.47Å; I768-L797 HydrophobicContact CG1-CD1 4.18Å; I768-L797 HydrophobicContact CG1-CG 4.46Å; I768-L801 HydrophobicContact CD1-CB 4.26Å; I768-L801 HydrophobicContact CD1-CD2 3.78Å |
| 769 | K | 85.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 178.3 | 176 | -175 | 154 | -144.4 | 0 | 111.6 | A765 E766 E767 R771 Q772 E773 | A765-K769 PolarHBondContact O-N 3.38Å; A765-K769 VanDerWaalsContact O-N 3.09Å; E766-K769 WeakPolarHBondContact O-CB 3.49Å; E766-K769 PolarHBondContact O-N 3.19Å; E766-K769 IonicContact OE1-NZ 2.59Å; E766-K769 PolarHBondContact OE1-NZ 3.46Å; E766-K769 IonicContact OE2-NZ 3.33Å; E767-K769 VanDerWaalsContact C-N 3.25Å; E767-K769 PolarHBondContact O-N 3.39Å; K769-R771 PolarHBondContact O-N 3.41Å; K769-Q772 WeakPolarHBondContact O-CB 3.37Å; K769-Q772 PolarHBondContact O-N 2.9Å; K769-Q772 VanDerWaalsContact O-N 3.16Å; K769-E773 WeakPolarHBondContact CE-OE1 3.49Å; K769-E773 WeakPolarHBondContact O-CG 3.36Å; K769-E773 PolarHBondContact O-N 3.09Å |
| 770 | Q | 83.6 | Confident | 85.1 | Confident | 107 Ų | 107 | 74.1 Ų | 74.1 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.8 | -69.8 | 178.5 | 7.1 | 0 | 0 | 111.9 | E766 E767 Q772 E773 E774 | E766-Q770 WeakPolarHBondContact O-CG 3.41Å; E766-Q770 PolarHBondContact O-N 3.34Å; E767-Q770 PolarHBondContact O-N 2.81Å; Q770-Q772 VanDerWaalsContact C-N 3.3Å; Q770-Q772 PolarHBondContact O-N 3.39Å; Q770-E773 PolarHBondContact O-N 3.06Å; Q770-E774 PolarHBondContact O-N 2.98Å |
| 771 | R | 88.4 | Confident | 85.1 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 176.3 | -57.8 | -58.1 | 178.5 | 151.6 | -5.1 | 112.5 | E767 I768 K769 Q775 L790 I794 L797 | E767-R771 HydrophobicContact CG-CG 4.47Å; E767-R771 WeakPolarHBondContact O-CG 3.21Å; E767-R771 PolarHBondContact O-N 3.28Å; E767-R771 IonicContact OE1-CZ 3.68Å; E767-R771 IonicContact OE1-NE 3.86Å; E767-R771 PolarHBondContact OE1-NE 2.82Å; E767-R771 IonicContact OE1-NH2 2.96Å; E767-R771 PolarHBondContact OE1-NH2 3.13Å; I768-R771 PolarHBondContact O-N 3.28Å; K769-R771 PolarHBondContact O-N 3.41Å; R771-Q775 VanDerWaalsContact O-CB 3.27Å; R771-Q775 WeakPolarHBondContact O-CB 3.43Å; R771-Q775 PolarHBondContact O-N 3.29Å; R771-L790 HydrophobicContact CB-CD2 4.36Å; R771-I794 HydrophobicContact CB-CD1 4.14Å; R771-I794 HydrophobicContact CB-CG1 3.62Å; R771-L797 HydrophobicContact CG-CD1 3.83Å |
| 772 | Q | 91.1 | Very high | 84.8 | Confident | 96 Ų | 96 | 76.2 Ų | 76.2 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.5 | -38 | 174.2 | -77.2 | 173.8 | 4.2 | 0 | 0 | 112.2 | I768 K769 Q770 Q775 L776 I794 | I768-Q772 HydrophobicContact CG2-CG 4.41Å; I768-Q772 WeakPolarHBondContact O-CB 3.36Å; I768-Q772 VanDerWaalsContact O-CG 3.27Å; I768-Q772 WeakPolarHBondContact O-CG 3.21Å; I768-Q772 PolarHBondContact O-N 3.49Å; K769-Q772 WeakPolarHBondContact O-CB 3.37Å; K769-Q772 PolarHBondContact O-N 2.9Å; K769-Q772 VanDerWaalsContact O-N 3.16Å; Q770-Q772 VanDerWaalsContact C-N 3.3Å; Q770-Q772 PolarHBondContact O-N 3.39Å; Q772-Q775 PolarHBondContact O-N 2.92Å; Q772-L776 WeakPolarHBondContact O-CB 3.43Å; Q772-L776 PolarHBondContact O-N 3.15Å; Q772-I794 HydrophobicContact CG-CD1 3.86Å; Q772-I794 HydrophobicContact CG-CG1 4.41Å |
| 773 | E | 88.4 | Confident | 85.2 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 173.6 | -70.6 | 173.4 | -167.5 | 0 | 0 | 110.5 | K769 Q770 Q775 L776 E777 | K769-E773 WeakPolarHBondContact CE-OE1 3.49Å; K769-E773 WeakPolarHBondContact O-CG 3.36Å; K769-E773 PolarHBondContact O-N 3.09Å; Q770-E773 PolarHBondContact O-N 3.06Å; E773-Q775 VanDerWaalsContact C-N 3.32Å; E773-Q775 PolarHBondContact O-N 3.1Å; E773-L776 PolarHBondContact O-N 3.09Å; E773-E777 PolarHBondContact O-N 2.93Å; E773-E777 VanDerWaalsContact O-N 3.1Å |
| 774 | E | 89.2 | Confident | 85.5 | Confident | 70 Ų | 70 | 84.9 Ų | 84.9 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 171.3 | -75.8 | -170.3 | -130.2 | 0 | 0 | 112.8 | Q770 L776 E777 A778 R786 L790 | Q770-E774 PolarHBondContact O-N 2.98Å; E774-L776 VanDerWaalsContact C-N 3.28Å; E774-L776 PolarHBondContact O-N 3.09Å; E774-E777 PolarHBondContact O-N 3.45Å; E774-A778 WeakPolarHBondContact O-CB 3.31Å; E774-A778 PolarHBondContact O-N 3.46Å; E774-R786 IonicContact OE2-CZ 3.11Å; E774-R786 IonicContact OE2-NE 2.7Å; E774-R786 IonicContact OE2-NH2 4Å; E774-R786 PolarHBondContact OE2-NH2 3.47Å; E774-L790 HydrophobicContact CB-CD1 3.7Å; E774-L790 HydrophobicContact CB-CD2 4.01Å |
| 775 | Q | 91.5 | Very high | 86 | Confident | 50 Ų | 50 | 90 Ų | 90 | 23% | 0.234 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.8 | -38.6 | -179.2 | -173.7 | -167.9 | 44.2 | 0 | 0 | 110.5 | R771 Q772 E773 A778 R779 E787 L790 T791 I794 | R771-Q775 VanDerWaalsContact O-CB 3.27Å; R771-Q775 WeakPolarHBondContact O-CB 3.43Å; R771-Q775 PolarHBondContact O-N 3.29Å; Q772-Q775 PolarHBondContact O-N 2.92Å; E773-Q775 VanDerWaalsContact C-N 3.32Å; E773-Q775 PolarHBondContact O-N 3.1Å; Q775-A778 PolarHBondContact O-N 2.88Å; Q775-R779 WeakPolarHBondContact O-CB 3.44Å; Q775-R779 PolarHBondContact O-N 2.91Å; Q775-E787 HydrophobicContact CG-CG 4.1Å; Q775-L790 HydrophobicContact CB-CB 4.1Å; Q775-L790 HydrophobicContact CB-CD1 4.28Å; Q775-L790 HydrophobicContact CG-CB 4.34Å; Q775-T791 PolarHBondContact NE2-OG1 3.17Å; Q775-I794 HydrophobicContact CB-CD1 4.19Å; Q775-I794 HydrophobicContact CG-CD1 4.48Å |
| 776 | L | 88.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 91.5 Ų | 91.5 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70 | -31.2 | 177.6 | -170.4 | 141 | 0 | 0 | 0 | 112 | Q772 E773 E774 K780 | Q772-L776 WeakPolarHBondContact O-CB 3.43Å; Q772-L776 PolarHBondContact O-N 3.15Å; E773-L776 PolarHBondContact O-N 3.09Å; E774-L776 VanDerWaalsContact C-N 3.28Å; E774-L776 PolarHBondContact O-N 3.09Å; L776-K780 HydrophobicContact CD2-CD 4.02Å; L776-K780 WeakPolarHBondContact O-CB 3.42Å; L776-K780 VanDerWaalsContact O-CG 3.27Å; L776-K780 WeakPolarHBondContact O-CG 3.26Å; L776-K780 PolarHBondContact O-N 2.99Å; L776-K780 VanDerWaalsContact O-N 3.08Å |
| 777 | E | 86.4 | Confident | 86.8 | Confident | 131 Ų | 131 | 89.8 Ų | 89.8 | 61% | 0.612 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -73.3 | -42.1 | 170 | -66.4 | -161.6 | 150.6 | 0 | 0 | 113.3 | E773 E774 R779 K780 S781 | E773-E777 PolarHBondContact O-N 2.93Å; E773-E777 VanDerWaalsContact O-N 3.1Å; E774-E777 PolarHBondContact O-N 3.45Å; E777-R779 VanDerWaalsContact C-N 3.27Å; E777-R779 PolarHBondContact O-N 3.09Å; E777-K780 PolarHBondContact O-N 3.39Å; E777-S781 PolarHBondContact O-N 3.17Å; E777-S781 PolarHBondContact O-OG 3.23Å |
| 778 | A | 85 | Confident | 87.3 | Confident | 6 Ų | 6 | 92.4 Ų | 92.4 | 5% | 0.05 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.3 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E774 Q775 S781 G782 N783 R786 E787 L790 | E774-A778 WeakPolarHBondContact O-CB 3.31Å; E774-A778 PolarHBondContact O-N 3.46Å; Q775-A778 PolarHBondContact O-N 2.88Å; A778-S781 WeakPolarHBondContact CA-OG 3.35Å; A778-S781 PolarHBondContact O-N 3.12Å; A778-S781 PolarHBondContact O-OG 2.91Å; A778-G782 PolarHBondContact O-N 3.43Å; A778-G782 VanDerWaalsContact O-N 3.15Å; A778-N783 PolarHBondContact O-N 3.41Å; A778-R786 HydrophobicContact CB-CB 4.08Å; A778-R786 HydrophobicContact CB-CG 3.89Å; A778-E787 HydrophobicContact CB-CB 4.24Å; A778-L790 HydrophobicContact CB-CD1 4.2Å |
| 779 | R | 85.9 | Confident | 87.5 | Confident | 178 Ų | 178 | 95.3 Ų | 95.3 | 67% | 0.672 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 175.3 | -169.6 | 177 | -177.5 | 177.9 | 0.7 | 112.9 | Q775 E777 S781 G782 E787 | Q775-R779 WeakPolarHBondContact O-CB 3.44Å; Q775-R779 PolarHBondContact O-N 2.91Å; E777-R779 VanDerWaalsContact C-N 3.27Å; E777-R779 PolarHBondContact O-N 3.09Å; R779-S781 VanDerWaalsContact C-N 3.31Å; R779-S781 PolarHBondContact O-N 3.33Å; R779-G782 PolarHBondContact O-N 3.08Å; R779-E787 HydrophobicContact CB-CG 4.47Å; R779-E787 VanDerWaalsContact CD-OE1 3.24Å; R779-E787 WeakPolarHBondContact CD-OE1 3.26Å; R779-E787 WeakPolarHBondContact CG-OE1 3.37Å; R779-E787 IonicContact NE-OE1 3.34Å |
| 780 | K | 85.6 | Confident | 87.8 | Confident | 162 Ų | 162 | 90.8 Ų | 90.8 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.6 | -35.3 | 175.1 | -80.6 | 168.9 | 176.6 | 168.6 | 0 | 112.9 | L776 E777 G782 | L776-K780 HydrophobicContact CD2-CD 4.02Å; L776-K780 WeakPolarHBondContact O-CB 3.42Å; L776-K780 VanDerWaalsContact O-CG 3.27Å; L776-K780 WeakPolarHBondContact O-CG 3.26Å; L776-K780 PolarHBondContact O-N 2.99Å; L776-K780 VanDerWaalsContact O-N 3.08Å; E777-K780 PolarHBondContact O-N 3.39Å; K780-G782 VanDerWaalsContact C-N 3.35Å |
| 781 | S | 84.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 87.9 Ų | 87.9 | 63% | 0.629 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -4.8 | 179.1 | 54 | 0 | 0 | 0 | 0 | 114 | E777 A778 R779 N783 | E777-S781 PolarHBondContact O-N 3.17Å; E777-S781 PolarHBondContact O-OG 3.23Å; A778-S781 WeakPolarHBondContact CA-OG 3.35Å; A778-S781 PolarHBondContact O-N 3.12Å; A778-S781 PolarHBondContact O-OG 2.91Å; R779-S781 VanDerWaalsContact C-N 3.31Å; R779-S781 PolarHBondContact O-N 3.33Å; S781-N783 VanDerWaalsContact C-N 3.29Å; S781-N783 PolarHBondContact O-N 2.98Å |
| 782 | G | 77.2 | Confident | 88.2 | Confident | 55 Ų | 55 | 88.3 Ų | 88.3 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 12.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A778 R779 K780 Q784 | A778-G782 PolarHBondContact O-N 3.43Å; A778-G782 VanDerWaalsContact O-N 3.15Å; R779-G782 PolarHBondContact O-N 3.08Å; K780-G782 VanDerWaalsContact C-N 3.35Å; G782-Q784 VanDerWaalsContact C-N 3.33Å; G782-Q784 PolarHBondContact O-N 2.95Å |
| 783 | N | 89.4 | Confident | 88.2 | Confident | 79 Ų | 79 | 86.4 Ų | 86.4 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | trans | -81.3 | 78.2 | -179.8 | -171.4 | -14.2 | 0 | 0 | 0 | 111.1 | A778 S781 Q785 R786 E787 | A778-N783 PolarHBondContact O-N 3.41Å; S781-N783 VanDerWaalsContact C-N 3.29Å; S781-N783 PolarHBondContact O-N 2.98Å; N783-Q785 PolarHBondContact O-N 3.06Å; N783-R786 HydrophobicContact CB-CB 4.22Å; N783-R786 VanDerWaalsContact CG-CB 3.48Å; N783-R786 WeakPolarHBondContact ND2-CB 3.44Å; N783-R786 PolarHBondContact O-N 3.2Å; N783-R786 PolarHBondContact OD1-N 2.93Å; N783-R786 VanDerWaalsContact OD1-N 3.09Å; N783-E787 PolarHBondContact O-N 3.32Å | ||
| 784 | Q | 85 | Confident | 88.3 | Confident | 158 Ų | 158 | 81.8 Ų | 81.8 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -57.3 | -33.2 | -178.1 | -67.1 | -176.6 | -12.3 | 0 | 0 | 113.6 | G782 L788 | G782-Q784 VanDerWaalsContact C-N 3.33Å; G782-Q784 PolarHBondContact O-N 2.95Å; Q784-L788 WeakPolarHBondContact O-CB 3.35Å; Q784-L788 PolarHBondContact O-N 3.39Å |
| 785 | Q | 89.6 | Confident | 88.2 | Confident | 138 Ų | 138 | 82.5 Ų | 82.5 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.6 | -48.2 | 178.1 | -176.4 | 178 | -25.8 | 0 | 0 | 110.8 | N783 E787 L788 E789 | N783-Q785 PolarHBondContact O-N 3.06Å; Q785-E787 VanDerWaalsContact C-N 3.35Å; Q785-E787 PolarHBondContact O-N 3.12Å; Q785-L788 PolarHBondContact O-N 3.39Å; Q785-E789 PolarHBondContact NE2-OE1 3.39Å; Q785-E789 VanDerWaalsContact NE2-OE1 3.12Å; Q785-E789 WeakPolarHBondContact O-CG 3.41Å; Q785-E789 PolarHBondContact O-N 3.38Å |
| 786 | R | 91.3 | Very high | 88 | Confident | 77 Ų | 77 | 84.9 Ų | 84.9 | 29% | 0.291 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177.6 | -177.1 | 56.3 | 178 | -175.3 | 1.2 | 112.2 | E774 A778 N783 L788 E789 L790 | E774-R786 IonicContact OE2-CZ 3.11Å; E774-R786 IonicContact OE2-NE 2.7Å; E774-R786 IonicContact OE2-NH2 4Å; E774-R786 PolarHBondContact OE2-NH2 3.47Å; A778-R786 HydrophobicContact CB-CB 4.08Å; A778-R786 HydrophobicContact CB-CG 3.89Å; N783-R786 HydrophobicContact CB-CB 4.22Å; N783-R786 VanDerWaalsContact CG-CB 3.48Å; N783-R786 WeakPolarHBondContact ND2-CB 3.44Å; N783-R786 PolarHBondContact O-N 3.2Å; N783-R786 PolarHBondContact OD1-N 2.93Å; N783-R786 VanDerWaalsContact OD1-N 3.09Å; R786-L788 VanDerWaalsContact C-N 3.32Å; R786-L788 PolarHBondContact O-N 3.38Å; R786-E789 IonicContact NH1-OE2 3.22Å; R786-E789 PolarHBondContact NH1-OE2 3.24Å; R786-E789 PolarHBondContact O-N 2.84Å; R786-L790 HydrophobicContact CG-CD1 3.82Å; R786-L790 HydrophobicContact CG-CG 4.44Å; R786-L790 WeakPolarHBondContact O-CB 3.48Å; R786-L790 WeakPolarHBondContact O-CD1 3.34Å; R786-L790 WeakPolarHBondContact O-CG 3.39Å; R786-L790 PolarHBondContact O-N 2.92Å |
| 787 | E | 89.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 173.8 | -174.3 | 177.1 | -174.5 | 0 | 0 | 111.4 | Q775 A778 R779 N783 Q785 T791 | Q775-E787 HydrophobicContact CG-CG 4.1Å; A778-E787 HydrophobicContact CB-CB 4.24Å; R779-E787 HydrophobicContact CB-CG 4.47Å; R779-E787 VanDerWaalsContact CD-OE1 3.24Å; R779-E787 WeakPolarHBondContact CD-OE1 3.26Å; R779-E787 WeakPolarHBondContact CG-OE1 3.37Å; R779-E787 IonicContact NE-OE1 3.34Å; N783-E787 PolarHBondContact O-N 3.32Å; Q785-E787 VanDerWaalsContact C-N 3.35Å; Q785-E787 PolarHBondContact O-N 3.12Å; E787-T791 WeakPolarHBondContact O-CB 3.4Å; E787-T791 PolarHBondContact O-N 3.02Å; E787-T791 PolarHBondContact O-OG1 2.65Å |
| 788 | L | 89.5 | Confident | 87.7 | Confident | 117 Ų | 117 | 76.9 Ų | 76.9 | 61% | 0.613 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.2 | -44.9 | 176.7 | -172.3 | 68.1 | 0 | 0 | 0 | 112.4 | Q784 Q785 R786 L790 T791 V792 | Q784-L788 WeakPolarHBondContact O-CB 3.35Å; Q784-L788 PolarHBondContact O-N 3.39Å; Q785-L788 PolarHBondContact O-N 3.39Å; R786-L788 VanDerWaalsContact C-N 3.32Å; R786-L788 PolarHBondContact O-N 3.38Å; L788-L790 VanDerWaalsContact C-N 3.35Å; L788-L790 PolarHBondContact O-N 2.61Å; L788-T791 WeakPolarHBondContact O-CB 3.29Å; L788-T791 PolarHBondContact O-N 3.26Å; L788-T791 VanDerWaalsContact O-N 3.17Å; L788-V792 PolarHBondContact O-N 3.44Å |
| 789 | E | 91.4 | Very high | 87.6 | Confident | 76 Ų | 76 | 82.4 Ų | 82.4 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56 | -47.9 | 175.1 | -73.5 | 169.1 | -167.7 | 0 | 0 | 111.8 | Q785 R786 T791 V792 Q793 | Q785-E789 PolarHBondContact NE2-OE1 3.39Å; Q785-E789 VanDerWaalsContact NE2-OE1 3.12Å; Q785-E789 WeakPolarHBondContact O-CG 3.41Å; Q785-E789 PolarHBondContact O-N 3.38Å; R786-E789 IonicContact NH1-OE2 3.22Å; R786-E789 PolarHBondContact NH1-OE2 3.24Å; R786-E789 PolarHBondContact O-N 2.84Å; E789-T791 VanDerWaalsContact C-N 3.32Å; E789-T791 PolarHBondContact O-N 2.89Å; E789-V792 PolarHBondContact O-N 3.34Å; E789-Q793 WeakPolarHBondContact O-CG 3.48Å; E789-Q793 PolarHBondContact O-N 3.09Å; E789-Q793 VanDerWaalsContact O-N 3.07Å |
| 790 | L | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.8 | -35 | 177.4 | -72.2 | 164.7 | 0 | 0 | 0 | 112 | R771 E774 Q775 A778 R786 L788 V792 Q793 I794 | R771-L790 HydrophobicContact CB-CD2 4.36Å; E774-L790 HydrophobicContact CB-CD1 3.7Å; E774-L790 HydrophobicContact CB-CD2 4.01Å; Q775-L790 HydrophobicContact CB-CB 4.1Å; Q775-L790 HydrophobicContact CB-CD1 4.28Å; Q775-L790 HydrophobicContact CG-CB 4.34Å; A778-L790 HydrophobicContact CB-CD1 4.2Å; R786-L790 HydrophobicContact CG-CD1 3.82Å; R786-L790 HydrophobicContact CG-CG 4.44Å; R786-L790 WeakPolarHBondContact O-CB 3.48Å; R786-L790 WeakPolarHBondContact O-CD1 3.34Å; R786-L790 WeakPolarHBondContact O-CG 3.39Å; R786-L790 PolarHBondContact O-N 2.92Å; L788-L790 VanDerWaalsContact C-N 3.35Å; L788-L790 PolarHBondContact O-N 2.61Å; L790-V792 VanDerWaalsContact C-N 3.34Å; L790-V792 PolarHBondContact O-N 2.86Å; L790-Q793 PolarHBondContact O-N 2.86Å; L790-I794 WeakPolarHBondContact O-CB 3.17Å; L790-I794 WeakPolarHBondContact O-CD1 3.44Å; L790-I794 VanDerWaalsContact O-CG1 3.23Å; L790-I794 WeakPolarHBondContact O-CG1 3.38Å; L790-I794 PolarHBondContact O-N 3.4Å |
| 791 | T | 90.6 | Very high | 87.1 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.9 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | Q775 E787 L788 E789 I795 | Q775-T791 PolarHBondContact NE2-OG1 3.17Å; E787-T791 WeakPolarHBondContact O-CB 3.4Å; E787-T791 PolarHBondContact O-N 3.02Å; E787-T791 PolarHBondContact O-OG1 2.65Å; L788-T791 WeakPolarHBondContact O-CB 3.29Å; L788-T791 PolarHBondContact O-N 3.26Å; L788-T791 VanDerWaalsContact O-N 3.17Å; E789-T791 VanDerWaalsContact C-N 3.32Å; E789-T791 PolarHBondContact O-N 2.89Å; T791-I795 HydrophobicContact CG2-CD1 4.05Å; T791-I795 WeakPolarHBondContact O-CD1 3.3Å; T791-I795 VanDerWaalsContact O-CG1 3.26Å; T791-I795 WeakPolarHBondContact O-CG1 3.33Å; T791-I795 PolarHBondContact O-N 3.47Å |
| 792 | V | 89.8 | Confident | 86.7 | Confident | 71 Ų | 71 | 79.8 Ų | 79.8 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.2 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | L788 E789 L790 I794 I795 E796 | L788-V792 PolarHBondContact O-N 3.44Å; E789-V792 PolarHBondContact O-N 3.34Å; L790-V792 VanDerWaalsContact C-N 3.34Å; L790-V792 PolarHBondContact O-N 2.86Å; V792-I794 PolarHBondContact O-N 2.86Å; V792-I795 PolarHBondContact O-N 2.91Å; V792-I795 VanDerWaalsContact O-N 3.16Å; V792-E796 WeakPolarHBondContact O-CG 3.33Å; V792-E796 PolarHBondContact O-N 3.42Å |
| 793 | Q | 91 | Very high | 86.6 | Confident | 55 Ų | 55 | 84.8 Ų | 84.8 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.3 | -68.6 | 166.4 | 20 | 0 | 0 | 112 | E789 L790 I795 E796 L797 | E789-Q793 WeakPolarHBondContact O-CG 3.48Å; E789-Q793 PolarHBondContact O-N 3.09Å; E789-Q793 VanDerWaalsContact O-N 3.07Å; L790-Q793 PolarHBondContact O-N 2.86Å; Q793-I795 VanDerWaalsContact C-N 3.31Å; Q793-I795 PolarHBondContact O-N 3.5Å; Q793-E796 PolarHBondContact O-N 2.93Å; Q793-L797 WeakPolarHBondContact O-CB 3.15Å; Q793-L797 WeakPolarHBondContact O-CG 3.45Å; Q793-L797 PolarHBondContact O-N 3.5Å |
| 794 | I | 90.7 | Very high | 85.5 | Confident | 17 Ų | 17 | 83 Ų | 83 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 175.9 | -68.5 | 160.6 | 0 | 0 | 0 | 111 | I768 R771 Q772 Q775 L790 V792 T798 | I768-I794 HydrophobicContact CG2-CG2 4.44Å; R771-I794 HydrophobicContact CB-CD1 4.14Å; R771-I794 HydrophobicContact CB-CG1 3.62Å; Q772-I794 HydrophobicContact CG-CD1 3.86Å; Q772-I794 HydrophobicContact CG-CG1 4.41Å; Q775-I794 HydrophobicContact CB-CD1 4.19Å; Q775-I794 HydrophobicContact CG-CD1 4.48Å; L790-I794 WeakPolarHBondContact O-CB 3.17Å; L790-I794 WeakPolarHBondContact O-CD1 3.44Å; L790-I794 VanDerWaalsContact O-CG1 3.23Å; L790-I794 WeakPolarHBondContact O-CG1 3.38Å; L790-I794 PolarHBondContact O-N 3.4Å; V792-I794 PolarHBondContact O-N 2.86Å; I794-T798 WeakPolarHBondContact O-CB 3.48Å; I794-T798 PolarHBondContact O-N 2.94Å; I794-T798 PolarHBondContact O-OG1 3.45Å |
| 795 | I | 88.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 176.2 | -71.3 | 165.5 | 0 | 0 | 0 | 111.3 | T791 V792 Q793 T798 K799 | T791-I795 HydrophobicContact CG2-CD1 4.05Å; T791-I795 WeakPolarHBondContact O-CD1 3.3Å; T791-I795 VanDerWaalsContact O-CG1 3.26Å; T791-I795 WeakPolarHBondContact O-CG1 3.33Å; T791-I795 PolarHBondContact O-N 3.47Å; V792-I795 PolarHBondContact O-N 2.91Å; V792-I795 VanDerWaalsContact O-N 3.16Å; Q793-I795 VanDerWaalsContact C-N 3.31Å; Q793-I795 PolarHBondContact O-N 3.5Å; I795-T798 PolarHBondContact O-N 3.48Å; I795-K799 HydrophobicContact CG2-CD 4.48Å; I795-K799 WeakPolarHBondContact O-CG 3.33Å; I795-K799 PolarHBondContact O-N 3.1Å |
| 796 | E | 85.6 | Confident | 85.3 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 177.1 | -72.8 | -179 | -178.2 | 0 | 0 | 112.3 | V792 Q793 T798 K799 R800 | V792-E796 WeakPolarHBondContact O-CG 3.33Å; V792-E796 PolarHBondContact O-N 3.42Å; Q793-E796 PolarHBondContact O-N 2.93Å; E796-T798 VanDerWaalsContact C-N 3.33Å; E796-T798 PolarHBondContact O-N 3.37Å; E796-K799 WeakPolarHBondContact O-CB 3.34Å; E796-K799 PolarHBondContact O-N 3.23Å; E796-K799 VanDerWaalsContact O-N 3.13Å; E796-R800 PolarHBondContact O-N 3.33Å |
| 797 | L | 86 | Confident | 85 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 5% | 0.047 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 173.3 | -66.8 | 172.2 | 0 | 0 | 0 | 111.5 | I764 E767 I768 R771 Q793 K799 R800 L801 | I764-L797 HydrophobicContact CG2-CB 4.28Å; I764-L797 HydrophobicContact CG2-CD2 4.49Å; I764-L797 WeakPolarHBondContact CG2-O 3.36Å; E767-L797 HydrophobicContact CB-CD1 4.27Å; E767-L797 HydrophobicContact CG-CD1 3.83Å; E767-L797 WeakPolarHBondContact OE2-CD2 3.44Å; I768-L797 HydrophobicContact CD1-CB 4.01Å; I768-L797 HydrophobicContact CG1-CB 3.47Å; I768-L797 VanDerWaalsContact CG1-CB 3.47Å; I768-L797 HydrophobicContact CG1-CD1 4.18Å; I768-L797 HydrophobicContact CG1-CG 4.46Å; R771-L797 HydrophobicContact CG-CD1 3.83Å; Q793-L797 WeakPolarHBondContact O-CB 3.15Å; Q793-L797 WeakPolarHBondContact O-CG 3.45Å; Q793-L797 PolarHBondContact O-N 3.5Å; L797-K799 VanDerWaalsContact C-N 3.28Å; L797-K799 PolarHBondContact O-N 3.33Å; L797-R800 PolarHBondContact O-N 2.97Å; L797-R800 VanDerWaalsContact O-N 3.15Å; L797-L801 WeakPolarHBondContact O-CB 3.39Å; L797-L801 PolarHBondContact O-N 3.22Å |
| 798 | T | 84.5 | Confident | 84.7 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -29.2 | 175.4 | -58 | 0 | 0 | 0 | 0 | 112.3 | I794 I795 E796 K802 | I794-T798 WeakPolarHBondContact O-CB 3.48Å; I794-T798 PolarHBondContact O-N 2.94Å; I794-T798 PolarHBondContact O-OG1 3.45Å; I795-T798 PolarHBondContact O-N 3.48Å; E796-T798 VanDerWaalsContact C-N 3.33Å; E796-T798 PolarHBondContact O-N 3.37Å; T798-K802 WeakPolarHBondContact O-CG 3.41Å; T798-K802 PolarHBondContact O-N 2.84Å |
| 799 | K | 82.5 | Confident | 84.4 | Confident | 123 Ų | 123 | 75.4 Ų | 75.4 | 54% | 0.535 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.7 | -45.2 | 170 | -73.3 | 168.1 | -176.7 | 172.6 | 0 | 110.9 | I795 E796 L797 L801 K802 Q803 | I795-K799 HydrophobicContact CG2-CD 4.48Å; I795-K799 WeakPolarHBondContact O-CG 3.33Å; I795-K799 PolarHBondContact O-N 3.1Å; E796-K799 WeakPolarHBondContact O-CB 3.34Å; E796-K799 PolarHBondContact O-N 3.23Å; E796-K799 VanDerWaalsContact O-N 3.13Å; L797-K799 VanDerWaalsContact C-N 3.28Å; L797-K799 PolarHBondContact O-N 3.33Å; K799-L801 PolarHBondContact O-N 3.43Å; K799-K802 PolarHBondContact O-N 3.22Å; K799-K802 VanDerWaalsContact O-N 3.1Å; K799-Q803 WeakPolarHBondContact O-CG 3.41Å; K799-Q803 PolarHBondContact O-N 2.76Å |
| 800 | R | 79.9 | Confident | 83.9 | Confident | 147 Ų | 147 | 75.4 Ų | 75.4 | 56% | 0.555 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 175.7 | -69.3 | -178.4 | -178.8 | -175.2 | 0.3 | 111.8 | I764 E796 L797 K802 Q803 A804 | I764-R800 HydrophobicContact CD1-CB 4.19Å; E796-R800 PolarHBondContact O-N 3.33Å; L797-R800 PolarHBondContact O-N 2.97Å; L797-R800 VanDerWaalsContact O-N 3.15Å; R800-K802 PolarHBondContact O-N 3.46Å; R800-K802 VanDerWaalsContact O-N 3.16Å; R800-Q803 WeakPolarHBondContact O-CA 3.48Å; R800-Q803 PolarHBondContact O-N 3.44Å; R800-A804 PolarHBondContact O-N 3.11Å |
| 801 | L | 80.6 | Confident | 83.4 | Confident | 53 Ų | 53 | 80.8 Ų | 80.8 | 28% | 0.277 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.7 | 175.8 | -174.3 | 59.3 | 0 | 0 | 0 | 113.8 | Q761 I764 I768 L797 K799 | Q761-L801 HydrophobicContact CB-CD1 3.98Å; Q761-L801 HydrophobicContact CG-CD1 4.19Å; Q761-L801 VanDerWaalsContact O-CD1 3.32Å; Q761-L801 WeakPolarHBondContact O-CD1 3.45Å; I764-L801 HydrophobicContact CB-CD1 4.27Å; I764-L801 HydrophobicContact CG2-CB 3.78Å; I764-L801 HydrophobicContact CG2-CD1 4.4Å; I768-L801 HydrophobicContact CD1-CB 4.26Å; I768-L801 HydrophobicContact CD1-CD2 3.78Å; L797-L801 WeakPolarHBondContact O-CB 3.39Å; L797-L801 PolarHBondContact O-N 3.22Å; K799-L801 PolarHBondContact O-N 3.43Å |
| 802 | K | 76.9 | Confident | 82.8 | Confident | 174 Ų | 174 | 83.5 Ų | 83.5 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.6 | 173.8 | -70.9 | 176.4 | -179.9 | -177.8 | 0 | 113.5 | T798 K799 R800 | T798-K802 WeakPolarHBondContact O-CG 3.41Å; T798-K802 PolarHBondContact O-N 2.84Å; K799-K802 PolarHBondContact O-N 3.22Å; K799-K802 VanDerWaalsContact O-N 3.1Å; R800-K802 PolarHBondContact O-N 3.46Å; R800-K802 VanDerWaalsContact O-N 3.16Å |
| 803 | Q | 75.8 | Confident | 82.3 | Confident | 160 Ų | 160 | 84.6 Ų | 84.6 | 75% | 0.748 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -28.4 | 178.4 | -72.3 | 173.2 | -32.4 | 0 | 0 | 112 | K799 R800 | K799-Q803 WeakPolarHBondContact O-CG 3.41Å; K799-Q803 PolarHBondContact O-N 2.76Å; R800-Q803 WeakPolarHBondContact O-CA 3.48Å; R800-Q803 PolarHBondContact O-N 3.44Å |
| 804 | A | 65.3 | Low | 81.5 | Confident | 43 Ų | 43 | 87.3 Ų | 87.3 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | trans | -81 | 0 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R757 Q761 I764 R800 | R757-A804 WeakPolarHBondContact CD-O 3.42Å; R757-A804 WeakPolarHBondContact CG-O 3.45Å; Q761-A804 HydrophobicContact CG-CB 4.28Å; Q761-A804 PolarHBondContact NE2-O 3.14Å; Q761-A804 PolarHBondContact NE2-OXT 2.79Å; I764-A804 HydrophobicContact CD1-CB 4.13Å; R800-A804 PolarHBondContact O-N 3.11Å |
Retrieved 804 of 804 residues in 481.8 ms
(Link to these results)