| 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 | 62.2 | Low | 79.2 | Confident | 223 Ų | 223 | 119.8 Ų | 119.8 | 100% | 1.099 | 63% | 0.632 | S | S | * | * | 0 | -0.2 | 0 | -68.5 | 177.8 | 68.8 | 0 | 0 | 114.7 | |||||
| 2 | I | 67 | Low | 79.4 | Confident | 147 Ų | 147 | 120.3 Ų | 120.3 | 75% | 0.754 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.3 | -24 | -176.3 | -72.5 | 154 | 0 | 0 | 0 | 113.8 | I4 V5 F6 | I2-I4 PolarHBondContact O-N 3.39Å; I2-V5 PolarHBondContact O-N 2.9Å; I2-F6 PolarHBondContact O-N 3.34Å |
| 3 | S | 79.1 | Confident | 79.3 | Confident | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.7 | -39.2 | -174.4 | 173.2 | 0 | 0 | 0 | 0 | 113.8 | V5 F6 T7 | S3-V5 PolarHBondContact O-N 3.32Å; S3-F6 PolarHBondContact O-N 3.42Å; S3-T7 PolarHBondContact O-N 2.89Å; S3-T7 PolarHBondContact O-OG1 3.02Å |
| 4 | I | 82.7 | Confident | 79 | Confident | 117 Ų | 117 | 117 Ų | 117 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.5 | -37.3 | -176.6 | -62.9 | 167.6 | 0 | 0 | 0 | 111.4 | I2 F6 T7 L8 | I2-I4 PolarHBondContact O-N 3.39Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.25Å; I4-T7 WeakPolarHBondContact CA-OG1 3.36Å; I4-T7 PolarHBondContact O-N 2.82Å; I4-T7 PolarHBondContact O-OG1 3.42Å; I4-L8 HydrophobicContact CG2-CD1 4.32Å; I4-L8 WeakPolarHBondContact O-CG 3.46Å; I4-L8 PolarHBondContact O-N 2.58Å; I4-L8 VanDerWaalsContact O-N 3.09Å |
| 5 | V | 81.9 | Confident | 78.4 | Confident | 94 Ų | 94 | 116.9 Ų | 116.9 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.4 | -42 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | I2 S3 T7 L8 V9 | I2-V5 PolarHBondContact O-N 2.9Å; S3-V5 PolarHBondContact O-N 3.32Å; V5-T7 PolarHBondContact O-N 3.18Å; V5-L8 PolarHBondContact O-N 2.96Å; V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 2.91Å; V5-V9 VanDerWaalsContact O-N 3.11Å |
| 6 | F | 81.8 | Confident | 77.7 | Confident | 140 Ų | 140 | 115.4 Ų | 115.4 | 61% | 0.614 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.3 | -39.4 | 178.9 | -150.8 | -92.5 | 0 | 0 | 0 | 112 | I2 S3 I4 L8 V9 L10 | I2-F6 PolarHBondContact O-N 3.34Å; S3-F6 PolarHBondContact O-N 3.42Å; I4-F6 VanDerWaalsContact C-N 3.33Å; I4-F6 PolarHBondContact O-N 3.25Å; F6-L8 PolarHBondContact O-N 3.18Å; F6-V9 PolarHBondContact O-N 3.23Å; F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.89Å; F6-L10 HydrophobicContact CE1-CG 4.24Å; F6-L10 WeakPolarHBondContact O-CG 3.39Å; F6-L10 PolarHBondContact O-N 3.42Å; F6-L10 VanDerWaalsContact O-N 3.12Å |
| 7 | T | 83 | Confident | 76.7 | Confident | 70 Ų | 70 | 116.9 Ų | 116.9 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65 | -37.3 | 175.8 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | S3 I4 V5 L10 F11 | S3-T7 PolarHBondContact O-N 2.89Å; S3-T7 PolarHBondContact O-OG1 3.02Å; I4-T7 WeakPolarHBondContact CA-OG1 3.36Å; I4-T7 PolarHBondContact O-N 2.82Å; I4-T7 PolarHBondContact O-OG1 3.42Å; V5-T7 PolarHBondContact O-N 3.18Å; T7-L10 PolarHBondContact O-N 2.89Å; T7-F11 PolarHBondContact O-N 3.43Å |
| 8 | L | 84.2 | Confident | 75.7 | Confident | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.4 | -40.1 | 177.6 | -73.6 | 172.6 | 0 | 0 | 0 | 112.2 | I4 V5 F6 F11 L12 | I4-L8 HydrophobicContact CG2-CD1 4.32Å; I4-L8 WeakPolarHBondContact O-CG 3.46Å; I4-L8 PolarHBondContact O-N 2.58Å; I4-L8 VanDerWaalsContact O-N 3.09Å; V5-L8 PolarHBondContact O-N 2.96Å; F6-L8 PolarHBondContact O-N 3.18Å; L8-F11 PolarHBondContact O-N 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 3.24Å |
| 9 | V | 84.5 | Confident | 74.6 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 56% | 0.564 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.8 | -42 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V5 F6 L12 H13 | V5-V9 WeakPolarHBondContact O-CG2 3.46Å; V5-V9 PolarHBondContact O-N 2.91Å; V5-V9 VanDerWaalsContact O-N 3.11Å; F6-V9 PolarHBondContact O-N 3.23Å; V9-L12 PolarHBondContact O-N 3.41Å; V9-H13 WeakPolarHBondContact O-CB 3.44Å; V9-H13 PolarHBondContact O-N 3.41Å |
| 10 | L | 82.7 | Confident | 73.5 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.2 | -42.6 | 175.9 | -73.1 | 172.7 | 0 | 0 | 0 | 112 | F6 T7 H13 C14 | F6-L10 HydrophobicContact CD1-CD1 3.77Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.89Å; F6-L10 HydrophobicContact CE1-CG 4.24Å; F6-L10 WeakPolarHBondContact O-CG 3.39Å; F6-L10 PolarHBondContact O-N 3.42Å; F6-L10 VanDerWaalsContact O-N 3.12Å; T7-L10 PolarHBondContact O-N 2.89Å; L10-H13 PolarHBondContact O-N 2.98Å; L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.12Å; L10-C14 PolarHBondContact O-SG 2.98Å; L10-C14 VanDerWaalsContact O-SG 3.34Å |
| 11 | F | 82.1 | Confident | 72.3 | Confident | 135 Ų | 135 | 112.7 Ų | 112.7 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61 | -45.8 | 175.1 | -104.8 | -80 | 0 | 0 | 0 | 111.8 | T7 L8 H13 C14 F15 | T7-F11 PolarHBondContact O-N 3.43Å; L8-F11 PolarHBondContact O-N 3.22Å; F11-H13 VanDerWaalsContact C-N 3.34Å; F11-H13 PolarHBondContact O-N 2.86Å; F11-C14 PolarHBondContact O-N 3.22Å; F11-F15 HydrophobicContact CD1-CD2 4.01Å; F11-F15 AromaticContact CD1-CE2 3.75Å; F11-F15 HydrophobicContact CD1-CE2 3.75Å; F11-F15 HydrophobicContact CE1-CE2 4.12Å; F11-F15 WeakPolarHBondContact O-CD2 3.06Å; F11-F15 PolarHBondContact O-N 3.45Å |
| 12 | L | 81.2 | Confident | 71.7 | Confident | 125 Ų | 125 | 109.5 Ų | 109.5 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.4 | -43.3 | 177.5 | -158.8 | 97.7 | 0 | 0 | 0 | 111.4 | L8 V9 C14 F15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 3.24Å; V9-L12 PolarHBondContact O-N 3.41Å; L12-C14 PolarHBondContact O-N 3.38Å; L12-F15 PolarHBondContact O-N 3Å; L12-V16 HydrophobicContact CG-CG2 4.47Å; L12-V16 WeakPolarHBondContact O-CB 2.95Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.27Å |
| 13 | H | 78.3 | Confident | 70.8 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -38.8 | 177.9 | -174.9 | -87 | 0 | 0 | 0 | 112.1 | V9 L10 F11 K17 | V9-H13 WeakPolarHBondContact O-CB 3.44Å; V9-H13 PolarHBondContact O-N 3.41Å; L10-H13 PolarHBondContact O-N 2.98Å; F11-H13 VanDerWaalsContact C-N 3.34Å; F11-H13 PolarHBondContact O-N 2.86Å; H13-K17 VanDerWaalsContact O-CB 3.3Å; H13-K17 WeakPolarHBondContact O-CB 3.25Å; H13-K17 PolarHBondContact O-N 2.97Å; H13-K17 VanDerWaalsContact O-N 3.14Å |
| 14 | C | 75.5 | Confident | 69.2 | Low | 74 Ų | 74 | 111.4 Ų | 111.4 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -46.4 | 173.7 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | L10 F11 L12 K17 T18 | L10-C14 WeakPolarHBondContact O-CB 3.46Å; L10-C14 PolarHBondContact O-N 3.12Å; L10-C14 PolarHBondContact O-SG 2.98Å; L10-C14 VanDerWaalsContact O-SG 3.34Å; F11-C14 PolarHBondContact O-N 3.22Å; L12-C14 PolarHBondContact O-N 3.38Å; C14-K17 PolarHBondContact O-N 2.93Å; C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.08Å; C14-T18 PolarHBondContact O-OG1 3.03Å; C14-T18 VanDerWaalsContact O-OG1 3.1Å |
| 15 | F | 70.2 | Confident | 67.4 | Low | 115 Ų | 115 | 111.7 Ų | 111.7 | 50% | 0.504 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -46.1 | -180 | -93.4 | -82.6 | 0 | 0 | 0 | 112.4 | F11 L12 K17 T18 E19 | F11-F15 HydrophobicContact CD1-CD2 4.01Å; F11-F15 AromaticContact CD1-CE2 3.75Å; F11-F15 HydrophobicContact CD1-CE2 3.75Å; F11-F15 HydrophobicContact CE1-CE2 4.12Å; F11-F15 WeakPolarHBondContact O-CD2 3.06Å; F11-F15 PolarHBondContact O-N 3.45Å; L12-F15 PolarHBondContact O-N 3Å; F15-K17 VanDerWaalsContact C-N 3.26Å; F15-K17 PolarHBondContact O-N 3.33Å; F15-T18 WeakPolarHBondContact CA-OG1 3.07Å; F15-T18 PolarHBondContact O-N 3.23Å; F15-T18 VanDerWaalsContact O-N 3.1Å; F15-T18 PolarHBondContact O-OG1 3.09Å; F15-E19 WeakPolarHBondContact O-CB 3.49Å; F15-E19 WeakPolarHBondContact O-CG 3.45Å; F15-E19 PolarHBondContact O-N 2.91Å |
| 16 | V | 67.1 | Low | 65.6 | Low | 94 Ų | 94 | 114.1 Ų | 114.1 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.2 | -36.8 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L12 G20 | L12-V16 HydrophobicContact CG-CG2 4.47Å; L12-V16 WeakPolarHBondContact O-CB 2.95Å; L12-V16 VanDerWaalsContact O-CG2 3.24Å; L12-V16 WeakPolarHBondContact O-CG2 3.39Å; L12-V16 PolarHBondContact O-N 3.27Å; V16-G20 WeakPolarHBondContact O-CA 3.33Å; V16-G20 PolarHBondContact O-N 3.28Å |
| 17 | K | 60.9 | Low | 64 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 61% | 0.613 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.4 | -31.3 | 176.7 | -162.7 | 167.8 | -176 | 174.1 | 0 | 112.5 | H13 C14 F15 L21 | H13-K17 VanDerWaalsContact O-CB 3.3Å; H13-K17 WeakPolarHBondContact O-CB 3.25Å; H13-K17 PolarHBondContact O-N 2.97Å; H13-K17 VanDerWaalsContact O-N 3.14Å; C14-K17 PolarHBondContact O-N 2.93Å; F15-K17 VanDerWaalsContact C-N 3.26Å; F15-K17 PolarHBondContact O-N 3.33Å; K17-L21 WeakPolarHBondContact O-CB 3.49Å; K17-L21 PolarHBondContact O-N 2.93Å |
| 18 | T | 57.9 | Low | 62.4 | Low | 76 Ų | 76 | 116.4 Ų | 116.4 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -81.9 | -30.1 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | C14 F15 K22 | C14-T18 WeakPolarHBondContact O-CG2 3.39Å; C14-T18 PolarHBondContact O-N 3.08Å; C14-T18 PolarHBondContact O-OG1 3.03Å; C14-T18 VanDerWaalsContact O-OG1 3.1Å; F15-T18 WeakPolarHBondContact CA-OG1 3.07Å; F15-T18 PolarHBondContact O-N 3.23Å; F15-T18 VanDerWaalsContact O-N 3.1Å; F15-T18 PolarHBondContact O-OG1 3.09Å; T18-K22 WeakPolarHBondContact O-CB 3.24Å; T18-K22 WeakPolarHBondContact O-CG 3.36Å; T18-K22 PolarHBondContact O-N 3.02Å |
| 19 | E | 56 | Low | 60.8 | Low | 122 Ų | 122 | 114.8 Ų | 114.8 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.5 | -38.9 | 173.6 | -69.9 | -173.3 | 174.4 | 0 | 0 | 110.5 | F15 L21 K22 | F15-E19 WeakPolarHBondContact O-CB 3.49Å; F15-E19 WeakPolarHBondContact O-CG 3.45Å; F15-E19 PolarHBondContact O-N 2.91Å; E19-L21 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 2.94Å |
| 20 | G | 51.3 | Low | 59.3 | Low | 45 Ų | 45 | 112.4 Ų | 112.4 | 46% | 0.464 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -18.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V16 | V16-G20 WeakPolarHBondContact O-CA 3.33Å; V16-G20 PolarHBondContact O-N 3.28Å |
| 21 | L | 48.5 | Very low | 58.1 | Low | 135 Ų | 135 | 110.8 Ų | 110.8 | 71% | 0.707 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -17.3 | 171.2 | -133.7 | 87.9 | 0 | 0 | 0 | 113.2 | K17 E19 | K17-L21 WeakPolarHBondContact O-CB 3.49Å; K17-L21 PolarHBondContact O-N 2.93Å; E19-L21 PolarHBondContact O-N 2.9Å |
| 22 | K | 50.6 | Low | 56.7 | Low | 156 Ų | 156 | 108 Ų | 108 | 68% | 0.678 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -23.7 | -173.5 | -95.6 | 179.1 | 175.4 | -179.5 | 0 | 114.1 | T18 E19 | T18-K22 WeakPolarHBondContact O-CB 3.24Å; T18-K22 WeakPolarHBondContact O-CG 3.36Å; T18-K22 PolarHBondContact O-N 3.02Å; E19-K22 PolarHBondContact O-N 2.94Å |
| 23 | D | 47.5 | Very low | 55.2 | Low | 107 Ų | 107 | 109.1 Ų | 109.1 | 57% | 0.572 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -114 | 17.9 | -170.4 | -65.8 | -20.8 | 0 | 0 | 0 | 114.8 | ||
| 24 | H | 44.9 | Very low | 54 | Low | 172 Ų | 172 | 109.4 Ų | 109.4 | 80% | 0.796 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -113.2 | 6.8 | 169.1 | -68.4 | -34.5 | 0 | 0 | 0 | 114.2 | E26 | H24-E26 VanDerWaalsContact C-N 3.31Š|
| 25 | T | 46.5 | Very low | 52.8 | Low | 123 Ų | 123 | 111.7 Ų | 111.7 | 76% | 0.755 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -96.4 | 19.7 | 164.9 | 21.5 | 0 | 0 | 0 | 0 | 112.3 | S27 | T25-S27 PolarHBondContact O-N 3.22Å; T25-S27 VanDerWaalsContact O-N 3.09Å |
| 26 | E | 42.4 | Very low | 51.7 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | trans | -71 | 101.7 | 167.3 | -85.1 | -171.1 | 152.6 | 0 | 0 | 111.5 | H24 N28 | H24-E26 VanDerWaalsContact C-N 3.31Å; E26-N28 PolarHBondContact O-N 3.35Å | ||
| 27 | S | 48 | Very low | 50.9 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | S | Bend | 73 | 3.5 | 124.8 | 85.7 | 0 | 0 | 0 | 0 | 121 | T25 S29 | T25-S27 PolarHBondContact O-N 3.22Å; T25-S27 VanDerWaalsContact O-N 3.09Å; S27-S29 VanDerWaalsContact C-N 3.34Å | |
| 28 | N | 50 | Low | 50.3 | Low | 158 Ų | 158 | 112.3 Ų | 112.3 | 85% | 0.845 | 60% | 0.599 | S | S | * | * | trans | -84.6 | -5 | 171.5 | -76.7 | -26.3 | 0 | 0 | 0 | 114.5 | E26 P30 | E26-N28 PolarHBondContact O-N 3.35Å; N28-P30 WeakPolarHBondContact O-CD 3.46Å | ||
| 29 | S | 50.1 | Low | 49.8 | Very low | 80 Ų | 80 | 117 Ų | 117 | 56% | 0.559 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -76.6 | 120.3 | 171.9 | -144 | 0 | 0 | 0 | 0 | 108.6 | S27 S31 R35 | S27-S29 VanDerWaalsContact C-N 3.34Å; S29-S31 PolarHBondContact O-N 3Å; S29-S31 VanDerWaalsContact O-N 3.12Å; S29-R35 PolarHBondContact OG-NH2 2.65Å |
| 30 | P | 54.1 | Low | 49.7 | Very low | 44 Ų | 44 | 120.1 Ų | 120.1 | 29% | 0.286 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -54.6 | 126.6 | 176.1 | 19 | -28.2 | 0 | 0 | 0 | 108.2 | N28 K34 R35 Y38 | N28-P30 WeakPolarHBondContact O-CD 3.46Å; P30-K34 HydrophobicContact CB-CB 3.51Å; P30-K34 HydrophobicContact CB-CD 4.34Å; P30-R35 HydrophobicContact CB-CG 4Å; P30-R35 HydrophobicContact CG-CG 3.82Å; P30-R35 WeakPolarHBondContact O-CG 3.5Å; P30-R35 PolarHBondContact O-NE 2.71Å; P30-Y38 HydrophobicContact CB-CD2 4.42Å; P30-Y38 HydrophobicContact CB-CE2 4.27Å |
| 31 | S | 56.3 | Low | 49.7 | Very low | 59 Ų | 59 | 128 Ų | 128 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -49.4 | 154.1 | 171.8 | 73.1 | 0 | 0 | 0 | 0 | 109.2 | S29 E33 K34 R35 | S29-S31 PolarHBondContact O-N 3Å; S29-S31 VanDerWaalsContact O-N 3.12Å; S31-E33 CarbonylContact O-C 3.56Å; S31-E33 PolarHBondContact O-N 2.88Å; S31-K34 CarbonylContact O-C 3.3Å; S31-K34 WeakPolarHBondContact O-CA 3.48Å; S31-K34 WeakPolarHBondContact O-CB 3.24Å; S31-K34 PolarHBondContact O-N 3.05Å; S31-K34 PolarHBondContact OG-N 2.83Å; S31-R35 PolarHBondContact O-N 2.67Å |
| 32 | A | 53.9 | Low | 49.8 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -49.1 | -34.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R35 M36 | A32-R35 WeakPolarHBondContact O-CB 3.43Å; A32-R35 PolarHBondContact O-N 2.8Å; A32-M36 PolarHBondContact O-N 3.19Å |
| 33 | E | 49.1 | Very low | 49.8 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.692 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65 | -46.8 | 173.1 | -170.6 | 175.4 | -165.2 | 0 | 0 | 113.2 | S31 R35 M36 V37 | S31-E33 CarbonylContact O-C 3.56Å; S31-E33 PolarHBondContact O-N 2.88Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.1Å; E33-M36 PolarHBondContact O-N 2.92Å; E33-V37 WeakPolarHBondContact O-CG2 3.39Å; E33-V37 PolarHBondContact O-N 2.93Å |
| 34 | K | 53.1 | Low | 50 | Low | 127 Ų | 127 | 126.9 Ų | 126.9 | 55% | 0.552 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -59.2 | -43.1 | 171.7 | -71.2 | -177 | -177.4 | 177.6 | 0 | 110.4 | P30 S31 M36 V37 Y38 | P30-K34 HydrophobicContact CB-CB 3.51Å; P30-K34 HydrophobicContact CB-CD 4.34Å; S31-K34 CarbonylContact O-C 3.3Å; S31-K34 WeakPolarHBondContact O-CA 3.48Å; S31-K34 WeakPolarHBondContact O-CB 3.24Å; S31-K34 PolarHBondContact O-N 3.05Å; S31-K34 PolarHBondContact OG-N 2.83Å; K34-M36 VanDerWaalsContact C-N 3.34Å; K34-M36 PolarHBondContact O-N 2.89Å; K34-V37 PolarHBondContact O-N 3.32Å; K34-Y38 HydrophobicContact CB-CD2 4.41Å; K34-Y38 HydrophobicContact CB-CE2 4.24Å; K34-Y38 WeakPolarHBondContact O-CD2 3.49Å; K34-Y38 PolarHBondContact O-N 2.96Å |
| 35 | R | 49.9 | Very low | 50.4 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 46% | 0.46 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.6 | -40.9 | 176.5 | -64.7 | 179.5 | -165.5 | -168.7 | 0.1 | 112.1 | S29 P30 S31 A32 E33 Y38 W39 | S29-R35 PolarHBondContact OG-NH2 2.65Å; P30-R35 HydrophobicContact CB-CG 4Å; P30-R35 HydrophobicContact CG-CG 3.82Å; P30-R35 WeakPolarHBondContact O-CG 3.5Å; P30-R35 PolarHBondContact O-NE 2.71Å; S31-R35 PolarHBondContact O-N 2.67Å; A32-R35 WeakPolarHBondContact O-CB 3.43Å; A32-R35 PolarHBondContact O-N 2.8Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.1Å; R35-Y38 PolarHBondContact O-N 2.8Å; R35-W39 WeakPolarHBondContact O-CB 3.4Å; R35-W39 PolarHBondContact O-N 2.79Å |
| 36 | M | 48.1 | Very low | 50.9 | Low | 146 Ų | 146 | 123.9 Ų | 123.9 | 72% | 0.719 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.2 | -40 | 174.5 | -79 | -175.7 | 107.4 | 0 | 0 | 112.6 | A32 E33 K34 W39 K40 | A32-M36 PolarHBondContact O-N 3.19Å; E33-M36 PolarHBondContact O-N 2.92Å; K34-M36 VanDerWaalsContact C-N 3.34Å; K34-M36 PolarHBondContact O-N 2.89Å; M36-W39 PolarHBondContact O-N 2.8Å; M36-K40 WeakPolarHBondContact O-CB 3.47Å; M36-K40 PolarHBondContact O-N 3.1Å |
| 37 | V | 50.1 | Low | 51.2 | Low | 85 Ų | 85 | 123.4 Ų | 123.4 | 52% | 0.515 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66 | -39.2 | 176.1 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | E33 K34 R41 | E33-V37 WeakPolarHBondContact O-CG2 3.39Å; E33-V37 PolarHBondContact O-N 2.93Å; K34-V37 PolarHBondContact O-N 3.32Å; V37-R41 PolarHBondContact O-N 3.26Å |
| 38 | Y | 48.8 | Very low | 51.5 | Low | 131 Ų | 131 | 126.5 Ų | 126.5 | 51% | 0.514 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.6 | -54.7 | 170.8 | -75.5 | -72.3 | 0 | 0 | 0 | 109.6 | P30 K34 R35 K40 R41 F42 | P30-Y38 HydrophobicContact CB-CD2 4.42Å; P30-Y38 HydrophobicContact CB-CE2 4.27Å; K34-Y38 HydrophobicContact CB-CD2 4.41Å; K34-Y38 HydrophobicContact CB-CE2 4.24Å; K34-Y38 WeakPolarHBondContact O-CD2 3.49Å; K34-Y38 PolarHBondContact O-N 2.96Å; R35-Y38 PolarHBondContact O-N 2.8Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.21Å; Y38-R41 PolarHBondContact O-N 3.49Å; Y38-F42 AromaticContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CE2 3.96Å; Y38-F42 WeakPolarHBondContact O-CD2 3.34Å; Y38-F42 PolarHBondContact O-N 3Å |
| 39 | W | 47.5 | Very low | 51.6 | Low | 176 Ų | 176 | 127 Ų | 127 | 67% | 0.667 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -51 | -43.9 | 177.7 | -99.2 | 64.3 | 0 | 0 | 0 | 113.8 | R35 M36 R41 F42 Y43 | R35-W39 WeakPolarHBondContact O-CB 3.4Å; R35-W39 PolarHBondContact O-N 2.79Å; M36-W39 PolarHBondContact O-N 2.8Å; W39-R41 PolarHBondContact O-N 3.45Å; W39-F42 PolarHBondContact O-N 3.39Å; W39-Y43 PolarHBondContact O-N 3.46Å |
| 40 | K | 52.6 | Low | 51.8 | Low | 186 Ų | 186 | 126.6 Ų | 126.6 | 81% | 0.809 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71 | -26.3 | -179 | -161.6 | 172.5 | -175.8 | 178 | 0 | 113.5 | M36 Y38 | M36-K40 WeakPolarHBondContact O-CB 3.47Å; M36-K40 PolarHBondContact O-N 3.1Å; Y38-K40 VanDerWaalsContact C-N 3.29Å; Y38-K40 PolarHBondContact O-N 3.21Å |
| 41 | R | 50.9 | Low | 51.7 | Low | 212 Ų | 212 | 133 Ų | 133 | 80% | 0.8 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.2 | -25.8 | 175.6 | -89.4 | -172.9 | 179.9 | -139.3 | 1.6 | 113.7 | V37 Y38 W39 | V37-R41 PolarHBondContact O-N 3.26Å; Y38-R41 PolarHBondContact O-N 3.49Å; W39-R41 PolarHBondContact O-N 3.45Å |
| 42 | F | 52.4 | Low | 51.5 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 54% | 0.535 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -102.7 | 1.2 | -176.5 | -64.6 | -74.1 | 0 | 0 | 0 | 113.9 | Y38 W39 N44 Y71 | Y38-F42 AromaticContact CD1-CE2 3.96Å; Y38-F42 HydrophobicContact CD1-CE2 3.96Å; Y38-F42 WeakPolarHBondContact O-CD2 3.34Å; Y38-F42 PolarHBondContact O-N 3Å; W39-F42 PolarHBondContact O-N 3.39Å; F42-N44 PolarHBondContact O-N 2.94Å; F42-Y71 AromaticContact CD1-CE1 3.98Å; F42-Y71 HydrophobicContact CD1-CE1 3.98Å; F42-Y71 HydrophobicContact CE1-CE1 4.33Å |
| 43 | Y | 48.8 | Very low | 51.4 | Low | 163 Ų | 163 | 131.4 Ų | 131.4 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | trans | -70.2 | 97.5 | 174.5 | -164.7 | -94.7 | 0 | 0 | 0 | 110.5 | W39 | W39-Y43 PolarHBondContact O-N 3.46Š| ||
| 44 | N | 52.8 | Low | 51.6 | Low | 89 Ų | 89 | 128.2 Ų | 128.2 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | trans | -82.4 | 118.9 | 164.5 | -177.7 | -1.8 | 0 | 0 | 0 | 108.2 | F42 N46 N47 | F42-N44 PolarHBondContact O-N 2.94Å; N44-N46 PolarHBondContact O-N 3.35Å; N44-N46 PolarHBondContact OD1-N 3.48Å; N44-N47 PolarHBondContact O-N 3.33Å | ||
| 45 | P | 53.5 | Low | 51.6 | Low | 101 Ų | 101 | 126.7 Ų | 126.7 | 66% | 0.656 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -6.5 | -178.2 | 23.9 | -32.8 | 0 | 0 | 0 | 114.9 | N47 | P45-N47 VanDerWaalsContact C-N 3.29Å; P45-N47 PolarHBondContact O-N 2.89Å |
| 46 | N | 57.2 | Low | 51.7 | Low | 131 Ų | 131 | 123 Ų | 123 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 15.2 | 176.7 | -65.8 | -15.8 | 0 | 0 | 0 | 114.9 | N44 E48 | N44-N46 PolarHBondContact O-N 3.35Å; N44-N46 PolarHBondContact OD1-N 3.48Å; N46-E48 PolarHBondContact O-N 2.92Å |
| 47 | N | 47.3 | Very low | 52 | Low | 134 Ų | 134 | 121.7 Ų | 121.7 | 72% | 0.717 | 58% | 0.579 | S | S | * | * | trans | 63.5 | 25.9 | 158 | -154.4 | 40.8 | 0 | 0 | 0 | 118.3 | N44 P45 | N44-N47 PolarHBondContact O-N 3.33Å; P45-N47 VanDerWaalsContact C-N 3.29Å; P45-N47 PolarHBondContact O-N 2.89Å | ||
| 48 | E | 54.2 | Low | 52.2 | Low | 165 Ų | 165 | 121.7 Ų | 121.7 | 77% | 0.771 | 58% | 0.575 | S | S | * | * | trans | -97 | 104.3 | 164 | -72.1 | 178.7 | 179.9 | 0 | 0 | 108.7 | N46 M50 | N46-E48 PolarHBondContact O-N 2.92Å; E48-M50 PolarHBondContact O-N 3.4Å; E48-M50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | M | 53.7 | Low | 52.3 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 83% | 0.828 | 58% | 0.581 | S | S | * | * | trans | -63.7 | 105.6 | 167.7 | -75.5 | -177.4 | 177.1 | 0 | 0 | 108.1 | ||||
| 50 | M | 54 | Low | 52.5 | Low | 73 Ų | 73 | 117.6 Ų | 117.6 | 36% | 0.36 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 134.1 | 175.8 | -76.6 | 178.3 | 169.8 | 0 | 0 | 110.7 | E48 N56 Y71 | E48-M50 PolarHBondContact O-N 3.4Å; E48-M50 VanDerWaalsContact O-N 3.08Å; M50-N56 HydrophobicContact CE-CB 4.29Å; M50-N56 WeakPolarHBondContact CE-ND2 3.35Å; M50-N56 PolarHBondContact SD-ND2 3.34Å; M50-Y71 HydrophobicContact CB-CE2 4.19Å; M50-Y71 HydrophobicContact CG-CE2 4.34Å; M50-Y71 HydrophobicContact SD-CD2 4.44Å; M50-Y71 HydrophobicContact SD-CE1 4.42Å; M50-Y71 HydrophobicContact SD-CE2 3.33Å; M50-Y71 WeakPolarHBondContact SD-CE2 3.39Å; M50-Y71 PolarHBondContact SD-OH 3.09Å |
| 51 | Y | 51.6 | Low | 52.6 | Low | 178 Ų | 178 | 119 Ų | 119 | 70% | 0.698 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -74 | 142.5 | -178.6 | -81.5 | -89.5 | 0 | 0 | 0 | 111 | G53 E54 | Y51-G53 PolarHBondContact O-N 3.27Å; Y51-E54 PolarHBondContact N-OE2 2.89Å; Y51-E54 VanDerWaalsContact O-CB 3.24Å; Y51-E54 WeakPolarHBondContact O-CB 3.3Å; Y51-E54 PolarHBondContact O-N 3.35Å |
| 52 | P | 53.2 | Low | 52.9 | Low | 66 Ų | 66 | 114.6 Ų | 114.6 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | 124.6 | 171.6 | 20.7 | -29.1 | 0 | 0 | 0 | 110.1 | F74 | P52-F74 HydrophobicContact CB-CB 4.31Å; P52-F74 HydrophobicContact CB-CD2 4.42Å |
| 53 | G | 50.4 | Low | 53 | Low | 36 Ų | 36 | 117.3 Ų | 117.3 | 37% | 0.371 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 94 | -3.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y51 | Y51-G53 PolarHBondContact O-N 3.27Š|
| 54 | E | 53 | Low | 53.3 | Low | 82 Ų | 82 | 117.8 Ų | 117.8 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | trans | -67.3 | 137 | 174.2 | -157.2 | 167.9 | -167.9 | 0 | 0 | 110.6 | Y51 Y71 | Y51-E54 PolarHBondContact N-OE2 2.89Å; Y51-E54 VanDerWaalsContact O-CB 3.24Å; Y51-E54 WeakPolarHBondContact O-CB 3.3Å; Y51-E54 PolarHBondContact O-N 3.35Å; E54-Y71 VanDerWaalsContact O-CD2 3.25Å; E54-Y71 WeakPolarHBondContact O-CD2 3.44Å | ||
| 55 | E | 53.9 | Low | 53 | Low | 95 Ų | 95 | 121.5 Ų | 121.5 | 44% | 0.444 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.7 | 177.4 | -63.8 | -165.3 | 171.9 | 0 | 0 | 108.9 | R68 | E55-R68 IonicContact OE1-CZ 3.44Å; E55-R68 IonicContact OE1-NE 3.6Å; E55-R68 IonicContact OE1-NH2 2.65Å; E55-R68 PolarHBondContact OE1-NH2 3.11Å; E55-R68 IonicContact OE2-CZ 3.24Å; E55-R68 VanDerWaalsContact OE2-CZ 3.24Å; E55-R68 IonicContact OE2-NE 3Å; E55-R68 PolarHBondContact OE2-NE 3.47Å; E55-R68 IonicContact OE2-NH2 2.71Å; E55-R68 PolarHBondContact OE2-NH2 3.43Å |
| 56 | N | 52.2 | Low | 52.8 | Low | 45 Ų | 45 | 125.2 Ų | 125.2 | 24% | 0.241 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.7 | 175.8 | -87.7 | -61.3 | 0 | 0 | 0 | 111.8 | M50 Y71 | M50-N56 HydrophobicContact CE-CB 4.29Å; M50-N56 WeakPolarHBondContact CE-ND2 3.35Å; M50-N56 PolarHBondContact SD-ND2 3.34Å; N56-Y71 HydrophobicContact CB-CE2 4.22Å |
| 57 | L | 54.8 | Low | 52.8 | Low | 117 Ų | 117 | 121.5 Ų | 121.5 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.3 | 175.6 | -69.2 | 166.9 | 0 | 0 | 0 | 108.1 | F59 | L57-F59 HydrophobicContact CB-CE2 4.5Å |
| 58 | M | 52.6 | Low | 53.1 | Low | 86 Ų | 86 | 123 Ų | 123 | 42% | 0.424 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.6 | 171.9 | -67.9 | -176 | -179.7 | 0 | 0 | 109.6 | ||
| 59 | F | 51.9 | Low | 53.3 | Low | 146 Ų | 146 | 119.3 Ų | 119.3 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.9 | 171.2 | -67.1 | -85.1 | 0 | 0 | 0 | 109 | L57 | L57-F59 HydrophobicContact CB-CE2 4.5Å |
| 60 | T | 52.2 | Low | 53.1 | Low | 75 Ų | 75 | 120.2 Ų | 120.2 | 46% | 0.46 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.8 | 169.2 | 56.3 | 0 | 0 | 0 | 0 | 109.2 | R63 | T60-R63 CarbonylContact O-C 3.58Å; T60-R63 VanDerWaalsContact O-C 3.3Å; T60-R63 PolarHBondContact OG1-O 3.3Å |
| 61 | R | 53.7 | Low | 53.1 | Low | 215 Ų | 215 | 118.5 Ų | 118.5 | 81% | 0.811 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 149.8 | 167.2 | -70.4 | -173.5 | -178.2 | -173.8 | 1.6 | 109.2 | ||
| 62 | P | 57 | Low | 53.3 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 77% | 0.773 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.6 | -10.2 | 8.8 | 33.8 | -34.4 | 0 | 0 | 0 | 114.7 | F64 | P62-F64 PolarHBondContact O-N 2.93Š|
| 63 | R | 54.8 | Low | 53.1 | Low | 180 Ų | 180 | 114 Ų | 114 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 102.8 | 178.5 | -67.1 | 178.7 | 177.7 | 168.7 | -1.1 | 108.1 | T60 R65 | T60-R63 CarbonylContact O-C 3.58Å; T60-R63 VanDerWaalsContact O-C 3.3Å; T60-R63 PolarHBondContact OG1-O 3.3Å; R63-R65 HydrophobicContact CB-CG 4.38Å; R63-R65 PolarHBondContact O-N 3.14Å |
| 64 | F | 54.8 | Low | 53 | Low | 173 Ų | 173 | 118.5 Ų | 118.5 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 59.6 | 170.5 | -68.9 | -91.6 | 0 | 0 | 0 | 113 | P62 | P62-F64 PolarHBondContact O-N 2.93Š|
| 65 | R | 47.4 | Very low | 52.5 | Low | 166 Ų | 166 | 119 Ų | 119 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 117.3 | 172 | -77 | -173.2 | 173.6 | -167.3 | -3.2 | 105 | R63 | R63-R65 HydrophobicContact CB-CG 4.38Å; R63-R65 PolarHBondContact O-N 3.14Å |
| 66 | Y | 49.6 | Very low | 51.9 | Low | 179 Ų | 179 | 123.1 Ų | 123.1 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.7 | 164.8 | 66.7 | -88.1 | 0 | 0 | 0 | 106.9 | ||
| 67 | T | 56.3 | Low | 51.2 | Low | 53 Ų | 53 | 123.5 Ų | 123.5 | 33% | 0.325 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.1 | 117 | 164.5 | 47.7 | 0 | 0 | 0 | 0 | 107.5 | H69 | T67-H69 WeakPolarHBondContact CB-NE2 3.4Å; T67-H69 PolarHBondContact O-N 3.29Å; T67-H69 PolarHBondContact OG1-NE2 3.49Å |
| 68 | R | 54.3 | Low | 50.5 | Low | 166 Ų | 166 | 125.1 Ų | 125.1 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 109.1 | 172.3 | -171.8 | 179.9 | -174.8 | -170.6 | 4 | 107.1 | E55 | E55-R68 IonicContact OE1-CZ 3.44Å; E55-R68 IonicContact OE1-NE 3.6Å; E55-R68 IonicContact OE1-NH2 2.65Å; E55-R68 PolarHBondContact OE1-NH2 3.11Å; E55-R68 IonicContact OE2-CZ 3.24Å; E55-R68 VanDerWaalsContact OE2-CZ 3.24Å; E55-R68 IonicContact OE2-NE 3Å; E55-R68 PolarHBondContact OE2-NE 3.47Å; E55-R68 IonicContact OE2-NH2 2.71Å; E55-R68 PolarHBondContact OE2-NH2 3.43Å |
| 69 | H | 57.2 | Low | 50 | Low | 88 Ų | 88 | 130.8 Ų | 130.8 | 41% | 0.407 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 114.4 | 170.9 | -65.6 | -64.9 | 0 | 0 | 0 | 108.1 | T67 | T67-H69 WeakPolarHBondContact CB-NE2 3.4Å; T67-H69 PolarHBondContact O-N 3.29Å; T67-H69 PolarHBondContact OG1-NE2 3.49Å |
| 70 | R | 50.2 | Low | 49.6 | Very low | 187 Ų | 187 | 129.3 Ų | 129.3 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.9 | 163.9 | -168.8 | 173.2 | -174.3 | 177 | 1.9 | 106.1 | ||
| 71 | Y | 55.1 | Low | 49.3 | Very low | 37 Ų | 37 | 130.8 Ų | 130.8 | 15% | 0.145 | 63% | 0.63 | C | S | . | * | trans | -56.7 | 129.2 | 170 | -73.2 | -72.7 | 0 | 0 | 0 | 107.4 | F42 M50 E54 N56 G73 | F42-Y71 AromaticContact CD1-CE1 3.98Å; F42-Y71 HydrophobicContact CD1-CE1 3.98Å; F42-Y71 HydrophobicContact CE1-CE1 4.33Å; M50-Y71 HydrophobicContact CB-CE2 4.19Å; M50-Y71 HydrophobicContact CG-CE2 4.34Å; M50-Y71 HydrophobicContact SD-CD2 4.44Å; M50-Y71 HydrophobicContact SD-CE1 4.42Å; M50-Y71 HydrophobicContact SD-CE2 3.33Å; M50-Y71 WeakPolarHBondContact SD-CE2 3.39Å; M50-Y71 PolarHBondContact SD-OH 3.09Å; E54-Y71 VanDerWaalsContact O-CD2 3.25Å; E54-Y71 WeakPolarHBondContact O-CD2 3.44Å; N56-Y71 HydrophobicContact CB-CE2 4.22Å; Y71-G73 PolarHBondContact O-N 3.47Å | ||
| 72 | P | 54.3 | Low | 49 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 64% | 0.643 | 62% | 0.622 | S | S | * | * | trans | -54.8 | 118.4 | 170.2 | 23.6 | -30.1 | 0 | 0 | 0 | 105.3 | F74 | P72-F74 PolarHBondContact O-N 3.35Š| ||
| 73 | G | 49 | Very low | 48.6 | Very low | 51 Ų | 51 | 129.8 Ų | 129.8 | 53% | 0.526 | 63% | 0.628 | S | S | . | * | trans | -55.1 | 113.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | Y71 A75 | Y71-G73 PolarHBondContact O-N 3.47Å; G73-A75 PolarHBondContact O-N 2.74Å | ||
| 74 | F | 49.4 | Very low | 48.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | trans | -58.6 | 102.4 | 156.9 | -72.1 | -80.6 | 0 | 0 | 0 | 102.3 | P52 P72 E76 | P52-F74 HydrophobicContact CB-CB 4.31Å; P52-F74 HydrophobicContact CB-CD2 4.42Å; P72-F74 PolarHBondContact O-N 3.35Å; F74-E76 PolarHBondContact O-N 3.35Å | ||
| 75 | A | 42.1 | Very low | 48 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | trans | -51 | 106.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 102.2 | G73 G77 | G73-A75 PolarHBondContact O-N 2.74Å; A75-G77 PolarHBondContact O-N 3.02Å | ||
| 76 | E | 41.2 | Very low | 48 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 64% | 0.642 | S | S | * | * | trans | -52.9 | 83.6 | 149.6 | -72.6 | 177.7 | 165.4 | 0 | 0 | 103.6 | F74 L78 | F74-E76 PolarHBondContact O-N 3.35Å; E76-L78 PolarHBondContact O-N 3.49Å | ||
| 77 | G | 38 | Very low | 48 | Very low | 53 Ų | 53 | 130.3 Ų | 130.3 | 55% | 0.546 | 66% | 0.664 | S | S | . | * | trans | -53.3 | 126.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 103.3 | A75 Y79 | A75-G77 PolarHBondContact O-N 3.02Å; G77-Y79 PolarHBondContact O-N 3.49Å | ||
| 78 | L | 39.8 | Very low | 47.5 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -36.3 | 112.9 | -177.2 | -87.7 | 98.1 | 0 | 0 | 0 | 108.1 | E76 D80 | E76-L78 PolarHBondContact O-N 3.49Å; L78-D80 PolarHBondContact O-N 3.18Å | ||
| 79 | Y | 41.3 | Very low | 47.2 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -63 | 90.8 | 156.7 | -114.9 | -94 | 0 | 0 | 0 | 103.4 | G77 N81 | G77-Y79 PolarHBondContact O-N 3.49Å; Y79-N81 PolarHBondContact O-N 3.44Å; Y79-N81 PolarHBondContact O-ND2 3.12Å | ||
| 80 | D | 44.6 | Very low | 46.6 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | trans | -60.9 | 89.5 | 162 | -95.9 | -13.7 | 0 | 0 | 0 | 105.1 | L78 D82 | L78-D80 PolarHBondContact O-N 3.18Å; D80-D82 PolarHBondContact O-N 3.4Å | ||
| 81 | N | 45.4 | Very low | 46.4 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -66.6 | 9.5 | 170.5 | -71.8 | -54.9 | 0 | 0 | 0 | 111.7 | Y79 E83 L84 | Y79-N81 PolarHBondContact O-N 3.44Å; Y79-N81 PolarHBondContact O-ND2 3.12Å; N81-E83 PolarHBondContact O-N 3.39Å; N81-L84 PolarHBondContact O-N 3.37Å |
| 82 | D | 46.6 | Very low | 45.9 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -76 | -17.7 | -177.9 | -78.5 | -1.5 | 0 | 0 | 0 | 113.5 | D80 | D80-D82 PolarHBondContact O-N 3.4Š|
| 83 | E | 49.2 | Very low | 45.3 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -83.7 | -10.9 | 174.2 | -76.5 | -158.6 | 154.7 | 0 | 0 | 114.4 | N81 | N81-E83 PolarHBondContact O-N 3.39Š|
| 84 | L | 48.1 | Very low | 45.1 | Very low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -100.9 | -1.5 | 177.4 | -95.8 | 151.6 | 0 | 0 | 0 | 114 | N81 | N81-L84 PolarHBondContact O-N 3.37Š|
| 85 | A | 48.7 | Very low | 44.7 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -101.1 | 7.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 86 | K | 48.2 | Very low | 44.9 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -127 | 22 | -173.3 | -93.2 | -175.3 | -178.8 | 173.5 | 0 | 116.6 | ||||
| 87 | K | 48.2 | Very low | 45.3 | Very low | 272 Ų | 272 | 150.1 Ų | 150.1 | 100% | 1.183 | 76% | 0.763 | S | S | * | * | trans | -118.9 | 0 | 170.7 | -134.4 | -176.9 | -173.1 | -178.9 | 0 | 110.5 |
Retrieved 87 of 87 residues in 85.5 ms
(Link to these results)