| 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 | 35.2 | Very low | 48.9 | Very low | 243 Ų | 243 | 133.1 Ų | 133.1 | 100% | 1.197 | 67% | 0.669 | S | S | * | * | 0 | 120.2 | 0 | -77 | 173.6 | 169.5 | 0 | 0 | 108 | S3 | M1-S3 PolarHBondContact O-N 3.14Š| |||
| 2 | I | 38.2 | Very low | 49.5 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | trans | -71.2 | 119.2 | 173.6 | -66.6 | 164.4 | 0 | 0 | 0 | 106.7 | F8 | I2-F8 HydrophobicContact CG2-CD1 4.28Å; I2-F8 HydrophobicContact CG2-CE1 4.47Å | ||
| 3 | S | 39 | Very low | 50.1 | Low | 74 Ų | 74 | 133.2 Ų | 133.2 | 52% | 0.517 | 66% | 0.657 | S | S | . | * | trans | -69.5 | 139.5 | -174.8 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | M1 N5 | M1-S3 PolarHBondContact O-N 3.14Å; S3-N5 PolarHBondContact O-N 3.44Å | ||
| 4 | N | 50.5 | Low | 50.5 | Low | 164 Ų | 164 | 130.9 Ų | 130.9 | 88% | 0.877 | 64% | 0.639 | S | S | * | * | trans | -69.9 | 36.4 | 174.6 | -84 | -46 | 0 | 0 | 0 | 112.7 | P6 | N4-P6 WeakPolarHBondContact O-CD 3.48Š| ||
| 5 | N | 50.6 | Low | 50.8 | Low | 82 Ų | 82 | 128.5 Ų | 128.5 | 44% | 0.439 | 63% | 0.63 | S | S | . | * | trans | -81.5 | 121.9 | 178.2 | -161 | -39.2 | 0 | 0 | 0 | 108.6 | S3 L7 F8 R9 | S3-N5 PolarHBondContact O-N 3.44Å; N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 WeakPolarHBondContact OD1-CB 3.45Å; N5-L7 PolarHBondContact OD1-N 3.35Å; N5-F8 WeakPolarHBondContact O-CB 3.47Å; N5-F8 PolarHBondContact O-N 3.49Å; N5-R9 PolarHBondContact O-N 3.01Å | ||
| 6 | P | 54.6 | Low | 50.8 | Low | 100 Ų | 100 | 127.6 Ų | 127.6 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -54.9 | -25.4 | 179.3 | 19.7 | -32.1 | 0 | 0 | 0 | 112.9 | N4 F8 R9 F10 | N4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-F8 VanDerWaalsContact C-N 3.33Å; P6-F8 PolarHBondContact O-N 3.02Å; P6-R9 PolarHBondContact O-N 3.07Å; P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.12Å; P6-F10 PolarHBondContact O-N 3.31Å |
| 7 | L | 53.5 | Low | 51 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.2 | -37.4 | 172.9 | -121.8 | 146.1 | 0 | 0 | 0 | 113 | N5 F10 L11 | N5-L7 PolarHBondContact O-N 3.41Å; N5-L7 WeakPolarHBondContact OD1-CB 3.45Å; N5-L7 PolarHBondContact OD1-N 3.35Å; L7-F10 PolarHBondContact O-N 3.33Å; L7-L11 HydrophobicContact CD2-CD1 4.17Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.76Å |
| 8 | F | 53.8 | Low | 50.9 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 51% | 0.509 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.1 | -38.8 | 179.6 | -141.4 | -85.1 | 0 | 0 | 0 | 111.4 | I2 N5 P6 F10 L11 N12 | I2-F8 HydrophobicContact CG2-CD1 4.28Å; I2-F8 HydrophobicContact CG2-CE1 4.47Å; N5-F8 WeakPolarHBondContact O-CB 3.47Å; N5-F8 PolarHBondContact O-N 3.49Å; P6-F8 VanDerWaalsContact C-N 3.33Å; P6-F8 PolarHBondContact O-N 3.02Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F8-L11 PolarHBondContact O-N 2.75Å; F8-N12 WeakPolarHBondContact O-CB 3.32Å; F8-N12 PolarHBondContact O-N 3.29Å |
| 9 | R | 49.9 | Very low | 50.7 | Low | 205 Ų | 205 | 124.2 Ų | 124.2 | 77% | 0.774 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.3 | -40.9 | 170.9 | -98.3 | 179.2 | 131.3 | 173.5 | -3.4 | 111.8 | N5 P6 N12 Y13 | N5-R9 PolarHBondContact O-N 3.01Å; P6-R9 PolarHBondContact O-N 3.07Å; R9-N12 PolarHBondContact O-N 3.15Å; R9-Y13 WeakPolarHBondContact O-CB 3.32Å; R9-Y13 PolarHBondContact O-N 3.35Å |
| 10 | F | 57.9 | Low | 50.6 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 52% | 0.518 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.1 | -51.1 | 175.6 | -171.1 | -91.5 | 0 | 0 | 0 | 110.8 | P6 L7 F8 N12 Y13 Y14 | P6-F10 VanDerWaalsContact O-CB 3.27Å; P6-F10 WeakPolarHBondContact O-CB 3.12Å; P6-F10 PolarHBondContact O-N 3.31Å; L7-F10 PolarHBondContact O-N 3.33Å; F8-F10 VanDerWaalsContact C-N 3.34Å; F10-N12 VanDerWaalsContact C-N 3.26Å; F10-N12 PolarHBondContact O-N 3.2Å; F10-Y13 PolarHBondContact O-N 3.28Å; F10-Y14 AromaticContact CD1-CD2 3.68Å; F10-Y14 HydrophobicContact CD1-CD2 3.68Å; F10-Y14 AromaticContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD2-CD2 4.2Å; F10-Y14 AromaticContact CD2-CE2 3.74Å; F10-Y14 HydrophobicContact CD2-CE2 3.74Å; F10-Y14 AromaticContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CE1 4.44Å; F10-Y14 AromaticContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CG 4.3Å; F10-Y14 AromaticContact CE1-CZ 3.7Å; F10-Y14 HydrophobicContact CE2-CD2 4.13Å; F10-Y14 AromaticContact CE2-CE2 3.26Å; F10-Y14 HydrophobicContact CE2-CE2 3.26Å; F10-Y14 AromaticContact CE2-CZ 3.92Å; F10-Y14 HydrophobicContact CG-CD2 4.02Å; F10-Y14 AromaticContact CG-CE2 3.98Å; F10-Y14 HydrophobicContact CG-CE2 3.98Å; F10-Y14 AromaticContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CE1 4.39Å; F10-Y14 AromaticContact CZ-CE2 3Å; F10-Y14 HydrophobicContact CZ-CE2 3Å; F10-Y14 AromaticContact CZ-CZ 3.32Å; F10-Y14 VanDerWaalsContact CZ-OH 3.29Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.41Å; F10-Y14 WeakPolarHBondContact O-CD2 3.18Å; F10-Y14 PolarHBondContact O-N 3.42Å |
| 11 | L | 55.1 | Low | 50.6 | Low | 99 Ų | 99 | 122.3 Ų | 122.3 | 52% | 0.518 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -54.6 | -42.4 | 174.7 | -87.6 | 154.7 | 0 | 0 | 0 | 112.3 | L7 F8 Y14 N15 | L7-L11 HydrophobicContact CD2-CD1 4.17Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 WeakPolarHBondContact O-CD1 3.04Å; L7-L11 WeakPolarHBondContact O-CG 3.32Å; L7-L11 PolarHBondContact O-N 2.76Å; F8-L11 PolarHBondContact O-N 2.75Å; L11-Y14 PolarHBondContact O-N 3.15Å; L11-N15 WeakPolarHBondContact O-CB 3.29Å; L11-N15 PolarHBondContact O-N 3.24Å |
| 12 | N | 56.2 | Low | 51.2 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.4 | -38.9 | -178.9 | -150.5 | 18.7 | 0 | 0 | 0 | 112.7 | F8 R9 F10 Y14 N15 Q16 | F8-N12 WeakPolarHBondContact O-CB 3.32Å; F8-N12 PolarHBondContact O-N 3.29Å; R9-N12 PolarHBondContact O-N 3.15Å; F10-N12 VanDerWaalsContact C-N 3.26Å; F10-N12 PolarHBondContact O-N 3.2Å; N12-Y14 VanDerWaalsContact C-N 3.35Å; N12-N15 PolarHBondContact O-N 2.95Å; N12-Q16 WeakPolarHBondContact O-CB 3.26Å; N12-Q16 VanDerWaalsContact O-CG 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.45Å; N12-Q16 PolarHBondContact O-N 3.09Å |
| 13 | Y | 56.5 | Low | 51.6 | Low | 170 Ų | 170 | 116.8 Ų | 116.8 | 67% | 0.667 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.4 | -42.1 | 174 | -170.3 | -95.3 | 0 | 0 | 0 | 111.3 | R9 F10 Q16 D17 | R9-Y13 WeakPolarHBondContact O-CB 3.32Å; R9-Y13 PolarHBondContact O-N 3.35Å; F10-Y13 PolarHBondContact O-N 3.28Å; Y13-Q16 PolarHBondContact O-N 3.22Å; Y13-D17 PolarHBondContact O-N 2.98Å; Y13-D17 VanDerWaalsContact O-N 3.13Å |
| 14 | Y | 55.3 | Low | 51.9 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 40% | 0.4 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -36.7 | 176.6 | -88.3 | -100.2 | 0 | 0 | 0 | 113.1 | F10 L11 N12 Y18 | F10-Y14 AromaticContact CD1-CD2 3.68Å; F10-Y14 HydrophobicContact CD1-CD2 3.68Å; F10-Y14 AromaticContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD1-CE2 3.75Å; F10-Y14 HydrophobicContact CD2-CD2 4.2Å; F10-Y14 AromaticContact CD2-CE2 3.74Å; F10-Y14 HydrophobicContact CD2-CE2 3.74Å; F10-Y14 AromaticContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CD2 3.58Å; F10-Y14 HydrophobicContact CE1-CE1 4.44Å; F10-Y14 AromaticContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CE2 3.25Å; F10-Y14 HydrophobicContact CE1-CG 4.3Å; F10-Y14 AromaticContact CE1-CZ 3.7Å; F10-Y14 HydrophobicContact CE2-CD2 4.13Å; F10-Y14 AromaticContact CE2-CE2 3.26Å; F10-Y14 HydrophobicContact CE2-CE2 3.26Å; F10-Y14 AromaticContact CE2-CZ 3.92Å; F10-Y14 HydrophobicContact CG-CD2 4.02Å; F10-Y14 AromaticContact CG-CE2 3.98Å; F10-Y14 HydrophobicContact CG-CE2 3.98Å; F10-Y14 AromaticContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CD2 3.83Å; F10-Y14 HydrophobicContact CZ-CE1 4.39Å; F10-Y14 AromaticContact CZ-CE2 3Å; F10-Y14 HydrophobicContact CZ-CE2 3Å; F10-Y14 AromaticContact CZ-CZ 3.32Å; F10-Y14 VanDerWaalsContact CZ-OH 3.29Å; F10-Y14 WeakPolarHBondContact CZ-OH 3.41Å; F10-Y14 WeakPolarHBondContact O-CD2 3.18Å; F10-Y14 PolarHBondContact O-N 3.42Å; L11-Y14 PolarHBondContact O-N 3.15Å; N12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-Y18 WeakPolarHBondContact O-CB 3.21Å; Y14-Y18 PolarHBondContact O-N 3.08Å |
| 15 | N | 55.9 | Low | 51.4 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.6 | -38.5 | 177.1 | -119.6 | -14.3 | 0 | 0 | 0 | 112 | L11 N12 Y18 L19 | L11-N15 WeakPolarHBondContact O-CB 3.29Å; L11-N15 PolarHBondContact O-N 3.24Å; N12-N15 PolarHBondContact O-N 2.95Å; N15-Y18 PolarHBondContact O-N 2.07Å; N15-L19 WeakPolarHBondContact O-CG 3.48Å; N15-L19 PolarHBondContact O-N 3.17Å |
| 16 | Q | 50.8 | Low | 50.8 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -41.2 | 177.9 | -77.2 | -90.6 | -28.7 | 0 | 0 | 112.3 | N12 Y13 L19 N20 | N12-Q16 WeakPolarHBondContact O-CB 3.26Å; N12-Q16 VanDerWaalsContact O-CG 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.45Å; N12-Q16 PolarHBondContact O-N 3.09Å; Y13-Q16 PolarHBondContact O-N 3.22Å; Q16-L19 PolarHBondContact O-N 3.4Å; Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.3Å; Q16-N20 PolarHBondContact O-ND2 3.49Å |
| 17 | D | 53.2 | Low | 50.1 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 40% | 0.396 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -35.1 | 176 | -154.3 | -103.7 | 0 | 0 | 0 | 112 | Y13 N20 K21 | Y13-D17 PolarHBondContact O-N 2.98Å; Y13-D17 VanDerWaalsContact O-N 3.13Å; D17-N20 PolarHBondContact O-N 3.25Å; D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 2.96Å; D17-K21 WeakPolarHBondContact OD1-CE 3.39Å; D17-K21 IonicContact OD1-NZ 3.7Å |
| 18 | Y | 49.9 | Very low | 49.8 | Very low | 156 Ų | 156 | 113 Ų | 113 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.4 | -40.8 | 176.4 | -164.1 | -94.8 | 0 | 0 | 0 | 112.3 | Y14 N15 Q22 | Y14-Y18 WeakPolarHBondContact O-CB 3.21Å; Y14-Y18 PolarHBondContact O-N 3.08Å; N15-Y18 PolarHBondContact O-N 2.07Å; Y18-Q22 PolarHBondContact O-N 3.45Å |
| 19 | L | 46.8 | Very low | 49.6 | Very low | 89 Ų | 89 | 111.5 Ų | 111.5 | 47% | 0.466 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.1 | -43.4 | 175.7 | -72.2 | 165.3 | 0 | 0 | 0 | 111.2 | N15 Q16 K21 Q22 | N15-L19 WeakPolarHBondContact O-CG 3.48Å; N15-L19 PolarHBondContact O-N 3.17Å; Q16-L19 PolarHBondContact O-N 3.4Å; L19-K21 PolarHBondContact O-N 2.74Å; L19-Q22 PolarHBondContact O-N 2.89Å; L19-Q22 VanDerWaalsContact O-N 3.12Å |
| 20 | N | 49.4 | Very low | 49.7 | Very low | 102 Ų | 102 | 105 Ų | 105 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.8 | -21.3 | 179.3 | -83 | -28 | 0 | 0 | 0 | 114.5 | Q16 D17 N24 | Q16-N20 WeakPolarHBondContact O-CB 3.27Å; Q16-N20 PolarHBondContact O-N 3.3Å; Q16-N20 PolarHBondContact O-ND2 3.49Å; D17-N20 PolarHBondContact O-N 3.25Å; N20-N24 PolarHBondContact O-ND2 3.49Å |
| 21 | K | 50.7 | Low | 49.5 | Very low | 107 Ų | 107 | 101 Ų | 101 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -90.1 | -16.5 | 175.8 | -72.4 | -172.9 | -177.6 | -176.2 | 0 | 114 | D17 L19 | D17-K21 WeakPolarHBondContact O-CG 3.5Å; D17-K21 PolarHBondContact O-N 2.96Å; D17-K21 WeakPolarHBondContact OD1-CE 3.39Å; D17-K21 IonicContact OD1-NZ 3.7Å; L19-K21 PolarHBondContact O-N 2.74Å |
| 22 | Q | 47.9 | Very low | 49.8 | Very low | 138 Ų | 138 | 98.7 Ų | 98.7 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81.1 | -30.1 | 179.4 | -162.5 | 169.9 | 20.9 | 0 | 0 | 112.2 | Y18 L19 | Y18-Q22 PolarHBondContact O-N 3.45Å; L19-Q22 PolarHBondContact O-N 2.89Å; L19-Q22 VanDerWaalsContact O-N 3.12Å |
| 23 | D | 45.7 | Very low | 49.7 | Very low | 138 Ų | 138 | 98.6 Ų | 98.6 | 74% | 0.738 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -82.3 | -18.1 | -178.3 | -70.7 | -41.1 | 0 | 0 | 0 | 114 | G25 | D23-G25 PolarHBondContact O-N 3.26Š|
| 24 | N | 45.1 | Very low | 49.7 | Very low | 128 Ų | 128 | 94 Ų | 94 | 68% | 0.684 | 53% | 0.532 | S | S | * | . | trans | -92.4 | 90.5 | 172.9 | -74.6 | -55.7 | 0 | 0 | 0 | 109.8 | N20 G26 | N20-N24 PolarHBondContact O-ND2 3.49Å; N24-G26 PolarHBondContact O-N 3.03Å | ||
| 25 | G | 40.8 | Very low | 49.6 | Very low | 90 Ų | 90 | 94.4 Ų | 94.4 | 93% | 0.928 | 54% | 0.539 | S | S | * | . | trans | -62.3 | 56 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | D23 | D23-G25 PolarHBondContact O-N 3.26Š| ||
| 26 | G | 38.4 | Very low | 49.4 | Very low | 60 Ų | 60 | 94.4 Ų | 94.4 | 62% | 0.619 | 54% | 0.539 | S | S | * | . | trans | -124.1 | 102.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N24 | N24-G26 PolarHBondContact O-N 3.03Š| ||
| 27 | S | 39.8 | Very low | 49.3 | Very low | 98 Ų | 98 | 95.1 Ų | 95.1 | 69% | 0.685 | 55% | 0.546 | S | S | * | . | trans | 51.4 | 113.5 | 154.8 | -154.3 | 0 | 0 | 0 | 0 | 118.4 | T29 | S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.39Å; S27-T29 PolarHBondContact O-OG1 2.87Å | ||
| 28 | A | 45.8 | Very low | 48.9 | Very low | 79 Ų | 79 | 98.9 Ų | 98.9 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -54 | 71.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 29 | T | 49.6 | Very low | 48.2 | Very low | 84 Ų | 84 | 93.9 Ų | 93.9 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | trans | -138.1 | 10 | -175.6 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | S27 | S27-T29 VanDerWaalsContact C-N 3.25Å; S27-T29 PolarHBondContact O-N 3.39Å; S27-T29 PolarHBondContact O-OG1 2.87Å | ||
| 30 | S | 51.9 | Low | 48.1 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | trans | -107.1 | 92.2 | -177.3 | 160.6 | 0 | 0 | 0 | 0 | 111.8 | T32 | S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.17Å | ||
| 31 | C | 53.8 | Low | 48 | Very low | 33 Ų | 33 | 102.3 Ų | 102.3 | 22% | 0.223 | 58% | 0.582 | C | S | . | * | trans | -62.9 | 113.9 | 163.2 | -160.3 | 0 | 0 | 0 | 0 | 108 | H33 C47 C49 L57 | C31-H33 PolarHBondContact O-N 3.26Å; C31-C47 WeakPolarHBondContact CB-SG 3.35Å; C31-C47 WeakPolarHBondContact SG-CB 3.49Å; C31-C47 CovalentContact SG-SG 2.07Å; C31-C47 PolarHBondContact SG-SG 3.01Å; C31-C49 HydrophobicContact CB-CB 3.7Å; C31-C49 WeakPolarHBondContact SG-CB 3.33Å; C31-C49 PolarHBondContact SG-SG 3.46Å; C31-L57 HydrophobicContact CB-CD1 3.8Å; C31-L57 WeakPolarHBondContact SG-CD1 3.43Å | ||
| 32 | T | 61.4 | Low | 47.3 | Very low | 52 Ų | 52 | 100.8 Ų | 100.8 | 32% | 0.319 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 98.9 | 174.4 | -53.6 | 0 | 0 | 0 | 0 | 108.4 | S30 K34 C47 F48 | S30-T32 PolarHBondContact O-N 3.17Å; S30-T32 VanDerWaalsContact O-N 3.17Å; T32-K34 HydrophobicContact CG2-CG 4.5Å; T32-C47 WeakPolarHBondContact O-CA 3.34Å; T32-C47 PolarHBondContact O-SG 2.69Å; T32-F48 PolarHBondContact N-O 3.13Å; T32-F48 PolarHBondContact O-N 3.23Å |
| 33 | H | 54.6 | Low | 47.2 | Very low | 94 Ų | 94 | 104.2 Ų | 104.2 | 44% | 0.435 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 118.8 | 173.6 | -110 | 169.3 | 0 | 0 | 0 | 110.1 | C31 C47 | C31-H33 PolarHBondContact O-N 3.26Å; H33-C47 WeakPolarHBondContact CD2-CB 3.43Å; H33-C47 PolarHBondContact CD2-SG 3.21Å; H33-C47 PolarHBondContact N-SG 3.48Å |
| 34 | K | 56.7 | Low | 47.4 | Very low | 74 Ų | 74 | 103.9 Ų | 103.9 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 108.6 | 171.7 | -67.8 | -177.2 | -178.8 | 177.6 | 0 | 108.5 | T32 L36 S45 L46 F48 | T32-K34 HydrophobicContact CG2-CG 4.5Å; K34-L36 PolarHBondContact O-N 2.94Å; K34-S45 CarbonylContact O-C 3.53Å; K34-S45 WeakPolarHBondContact O-CA 3.46Å; K34-L46 HydrophobicContact CB-CB 4.19Å; K34-L46 PolarHBondContact N-O 2.82Å; K34-L46 PolarHBondContact O-N 2.87Å; K34-F48 HydrophobicContact CD-CD2 4.29Å; K34-F48 HydrophobicContact CD-CE2 4.06Å |
| 35 | I | 52.9 | Low | 47.6 | Very low | 110 Ų | 110 | 100.2 Ų | 100.2 | 56% | 0.564 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 106.9 | 168.9 | -61.1 | 169.7 | 0 | 0 | 0 | 107 | R43 Y44 | I35-R43 HydrophobicContact CG2-CB 4.45Å; I35-Y44 CarbonylContact C-O 3.57Å; I35-Y44 WeakPolarHBondContact CA-O 3.47Å |
| 36 | L | 52.9 | Low | 48.4 | Very low | 96 Ų | 96 | 98.2 Ų | 98.2 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 109.9 | 167.8 | -76.5 | 172 | 0 | 0 | 0 | 108.4 | K34 H38 Y44 L46 | K34-L36 PolarHBondContact O-N 2.94Å; L36-H38 PolarHBondContact O-N 3.49Å; L36-Y44 PolarHBondContact N-O 3.44Å; L36-Y44 PolarHBondContact O-N 3.48Å; L36-L46 HydrophobicContact CD1-CD1 3.25Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CD1 4.16Å |
| 37 | L | 48.8 | Very low | 49.2 | Very low | 127 Ų | 127 | 95.7 Ų | 95.7 | 67% | 0.665 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 101.3 | 166 | -77.8 | 156 | 0 | 0 | 0 | 107.7 | R43 | L37-R43 HydrophobicContact CD2-CG 4.07Å |
| 38 | H | 43.4 | Very low | 50.4 | Low | 154 Ų | 154 | 96.4 Ų | 96.4 | 71% | 0.713 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -90.6 | -12.2 | 174.7 | -167 | -100.8 | 0 | 0 | 0 | 112.1 | L36 D42 Y44 | L36-H38 PolarHBondContact O-N 3.49Å; H38-D42 PolarHBondContact N-O 2.89Å; H38-Y44 HydrophobicContact CB-CD2 4.05Å; H38-Y44 HydrophobicContact CB-CE2 4.23Å |
| 39 | S | 36.4 | Very low | 51 | Low | 51 Ų | 51 | 93.6 Ų | 93.6 | 36% | 0.357 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -170.9 | 170.4 | 171.3 | 59.3 | 0 | 0 | 0 | 0 | 108.9 | V41 D42 | S39-V41 PolarHBondContact O-N 2.87Å; S39-V41 PolarHBondContact OG-N 3.41Å; S39-D42 PolarHBondContact OG-N 3.45Å; S39-D42 VanDerWaalsContact OG-N 3.14Å |
| 40 | Y | 43.9 | Very low | 51.5 | Low | 243 Ų | 243 | 94.2 Ų | 94.2 | 95% | 0.953 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -59 | -12.1 | 171.8 | -89.4 | -91 | 0 | 0 | 0 | 113.5 | ||
| 41 | V | 47.3 | Very low | 51.8 | Low | 125 Ų | 125 | 97.4 Ų | 97.4 | 76% | 0.758 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -106.8 | -36.9 | -172.9 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | S39 | S39-V41 PolarHBondContact O-N 2.87Å; S39-V41 PolarHBondContact OG-N 3.41Å |
| 42 | D | 36.9 | Very low | 52.1 | Low | 74 Ų | 74 | 103.9 Ų | 103.9 | 40% | 0.396 | 49% | 0.494 | S | S | . | . | trans | -113.2 | 110.8 | -174.9 | -68.3 | -55.8 | 0 | 0 | 0 | 113 | H38 S39 Y44 | H38-D42 PolarHBondContact N-O 2.89Å; S39-D42 PolarHBondContact OG-N 3.45Å; S39-D42 VanDerWaalsContact OG-N 3.14Å; D42-Y44 HydrophobicContact CB-CD2 4.13Å; D42-Y44 HydrophobicContact CB-CE2 3.5Å; D42-Y44 VanDerWaalsContact CB-CE2 3.5Å | ||
| 43 | R | 46.3 | Very low | 52 | Low | 211 Ų | 211 | 105.3 Ų | 105.3 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 106.6 | 169 | -65 | 180 | -171.6 | 178.9 | 2.7 | 108.7 | I35 L37 | I35-R43 HydrophobicContact CG2-CB 4.45Å; L37-R43 HydrophobicContact CD2-CG 4.07Å |
| 44 | Y | 48.4 | Very low | 52.2 | Low | 131 Ų | 131 | 101.2 Ų | 101.2 | 51% | 0.514 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.7 | 169.3 | -66.4 | -84 | 0 | 0 | 0 | 108.9 | I35 L36 H38 D42 | I35-Y44 CarbonylContact C-O 3.57Å; I35-Y44 WeakPolarHBondContact CA-O 3.47Å; L36-Y44 PolarHBondContact N-O 3.44Å; L36-Y44 PolarHBondContact O-N 3.48Å; H38-Y44 HydrophobicContact CB-CD2 4.05Å; H38-Y44 HydrophobicContact CB-CE2 4.23Å; D42-Y44 HydrophobicContact CB-CD2 4.13Å; D42-Y44 HydrophobicContact CB-CE2 3.5Å; D42-Y44 VanDerWaalsContact CB-CE2 3.5Å |
| 45 | S | 50.7 | Low | 52.4 | Low | 51 Ų | 51 | 105.8 Ų | 105.8 | 36% | 0.357 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | K34 | K34-S45 CarbonylContact O-C 3.53Å; K34-S45 WeakPolarHBondContact O-CA 3.46Å |
| 46 | L | 56.5 | Low | 52.6 | Low | 47 Ų | 47 | 106.1 Ų | 106.1 | 25% | 0.246 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 106.2 | 167.6 | -78.8 | 165.8 | 0 | 0 | 0 | 108.5 | K34 L36 F48 D62 | K34-L46 HydrophobicContact CB-CB 4.19Å; K34-L46 PolarHBondContact N-O 2.82Å; K34-L46 PolarHBondContact O-N 2.87Å; L36-L46 HydrophobicContact CD1-CD1 3.25Å; L36-L46 HydrophobicContact CD1-CG 4.27Å; L36-L46 HydrophobicContact CG-CD1 4.16Å; L46-F48 HydrophobicContact CB-CE2 4.03Å; L46-F48 HydrophobicContact CD1-CE2 4.48Å; L46-D62 HydrophobicContact CD2-CB 4.01Å |
| 47 | C | 56.1 | Low | 53.1 | Low | 8 Ų | 8 | 105.9 Ų | 105.9 | 5% | 0.054 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.6 | 161.7 | -139.7 | 0 | 0 | 0 | 0 | 110.6 | C31 T32 H33 C49 C59 | C31-C47 WeakPolarHBondContact CB-SG 3.35Å; C31-C47 WeakPolarHBondContact SG-CB 3.49Å; C31-C47 CovalentContact SG-SG 2.07Å; C31-C47 PolarHBondContact SG-SG 3.01Å; T32-C47 WeakPolarHBondContact O-CA 3.34Å; T32-C47 PolarHBondContact O-SG 2.69Å; H33-C47 WeakPolarHBondContact CD2-CB 3.43Å; H33-C47 PolarHBondContact CD2-SG 3.21Å; H33-C47 PolarHBondContact N-SG 3.48Å; C47-C49 VanDerWaalsContact CB-SG 3.55Å; C47-C59 HydrophobicContact CB-CB 3.91Å; C47-C59 VanDerWaalsContact CB-SG 3.51Å; C47-C59 PolarHBondContact N-SG 3.18Å |
| 48 | F | 63.5 | Low | 53.5 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 50% | 0.496 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 101.6 | 163.3 | -68.4 | -89.5 | 0 | 0 | 0 | 107.6 | T32 K34 L46 | T32-F48 PolarHBondContact N-O 3.13Å; T32-F48 PolarHBondContact O-N 3.23Å; K34-F48 HydrophobicContact CD-CD2 4.29Å; K34-F48 HydrophobicContact CD-CE2 4.06Å; L46-F48 HydrophobicContact CB-CE2 4.03Å; L46-F48 HydrophobicContact CD1-CE2 4.48Å |
| 49 | C | 59.6 | Low | 54.1 | Low | 19 Ų | 19 | 96.5 Ų | 96.5 | 13% | 0.128 | 47% | 0.471 | C | S | . | . | trans | -147.8 | 165.1 | -179.3 | 33.2 | 0 | 0 | 0 | 0 | 110.1 | C31 C47 F61 | C31-C49 HydrophobicContact CB-CB 3.7Å; C31-C49 WeakPolarHBondContact SG-CB 3.33Å; C31-C49 PolarHBondContact SG-SG 3.46Å; C47-C49 VanDerWaalsContact CB-SG 3.55Å; C49-F61 VanDerWaalsContact O-CE2 3.26Å; C49-F61 WeakPolarHBondContact O-CE2 3.37Å | ||
| 50 | D | 60.4 | Low | 54.8 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | trans | -66.8 | 152.3 | 165.2 | -70.2 | -52.7 | 0 | 0 | 0 | 111.5 | Y52 Y53 A54 | D50-Y52 PolarHBondContact O-N 3.46Å; D50-Y53 PolarHBondContact O-N 2.92Å; D50-A54 PolarHBondContact O-N 3.4Å | ||
| 51 | H | 57.6 | Low | 55.1 | Low | 135 Ų | 135 | 91.9 Ų | 91.9 | 63% | 0.625 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -52.3 | -30.8 | -171 | -173.3 | -110.6 | 0 | 0 | 0 | 114.1 | ||
| 52 | Y | 59.3 | Low | 55.2 | Low | 168 Ų | 168 | 89.9 Ų | 89.9 | 66% | 0.659 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 177 | -175.9 | -97.6 | 0 | 0 | 0 | 112.5 | D50 L56 | D50-Y52 PolarHBondContact O-N 3.46Å; Y52-L56 PolarHBondContact O-N 2.99Å |
| 53 | Y | 60 | Low | 55.5 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -76.7 | -30.3 | -177.6 | -84.8 | -80.9 | 0 | 0 | 0 | 113.1 | D50 K55 L56 L57 | D50-Y53 PolarHBondContact O-N 2.92Å; Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3.38Å; Y53-L56 HydrophobicContact CD1-CD2 4.21Å; Y53-L56 HydrophobicContact CE1-CD2 4.31Å; Y53-L56 PolarHBondContact O-N 3Å; Y53-L56 VanDerWaalsContact O-N 3.15Å; Y53-L57 PolarHBondContact O-N 3.39Å |
| 54 | A | 59.4 | Low | 55.2 | Low | 7 Ų | 7 | 94.9 Ų | 94.9 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D50 G58 C59 F61 | D50-A54 PolarHBondContact O-N 3.4Å; A54-G58 PolarHBondContact O-N 3.38Å; A54-C59 PolarHBondContact O-N 3.18Å; A54-F61 HydrophobicContact CB-CD2 3.83Å; A54-F61 HydrophobicContact CB-CE2 4.49Å |
| 55 | K | 59.4 | Low | 54.8 | Low | 171 Ų | 171 | 100.5 Ų | 100.5 | 74% | 0.743 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.9 | -42.4 | 173.5 | -97 | -174.8 | 176.6 | -176.6 | 0 | 112.5 | Y53 L57 | Y53-K55 VanDerWaalsContact C-N 3.28Å; Y53-K55 PolarHBondContact O-N 3.38Å; K55-L57 PolarHBondContact O-N 2.93Å |
| 56 | L | 58.9 | Low | 53.9 | Low | 117 Ų | 117 | 107.2 Ų | 107.2 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | -177.5 | -161.6 | 89.5 | 0 | 0 | 0 | 112.3 | Y52 Y53 | Y52-L56 PolarHBondContact O-N 2.99Å; Y53-L56 HydrophobicContact CD1-CD2 4.21Å; Y53-L56 HydrophobicContact CE1-CD2 4.31Å; Y53-L56 PolarHBondContact O-N 3Å; Y53-L56 VanDerWaalsContact O-N 3.15Å |
| 57 | L | 62.2 | Low | 52.6 | Low | 91 Ų | 91 | 115.1 Ų | 115.1 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.1 | -175 | -69.5 | 166.5 | 0 | 0 | 0 | 113.9 | C31 Y53 K55 C59 | C31-L57 HydrophobicContact CB-CD1 3.8Å; C31-L57 WeakPolarHBondContact SG-CD1 3.43Å; Y53-L57 PolarHBondContact O-N 3.39Å; K55-L57 PolarHBondContact O-N 2.93Å; L57-C59 PolarHBondContact O-N 2.96Å |
| 58 | G | 56.9 | Low | 51.8 | Low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.7 | 25.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A54 | A54-G58 PolarHBondContact O-N 3.38Š|
| 59 | C | 57.1 | Low | 51.2 | Low | 13 Ų | 13 | 126.3 Ų | 126.3 | 9% | 0.088 | 60% | 0.6 | C | S | . | * | trans | -92.7 | 131.5 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 111 | C47 A54 L57 F61 | C47-C59 HydrophobicContact CB-CB 3.91Å; C47-C59 VanDerWaalsContact CB-SG 3.51Å; C47-C59 PolarHBondContact N-SG 3.18Å; A54-C59 PolarHBondContact O-N 3.18Å; L57-C59 PolarHBondContact O-N 2.96Å; C59-F61 PolarHBondContact O-N 2.71Å | ||
| 60 | S | 51.4 | Low | 50.7 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 62% | 0.624 | S | S | * | * | trans | -69.1 | 124.1 | 172.6 | 15.8 | 0 | 0 | 0 | 0 | 110.6 | D62 | S60-D62 PolarHBondContact O-N 3.41Š| ||
| 61 | F | 50.2 | Low | 50.2 | Low | 100 Ų | 100 | 133.8 Ų | 133.8 | 44% | 0.439 | 63% | 0.63 | S | S | . | * | trans | -80.4 | 94.8 | -178.6 | -158.6 | -88.3 | 0 | 0 | 0 | 109.9 | C49 A54 C59 R63 | C49-F61 VanDerWaalsContact O-CE2 3.26Å; C49-F61 WeakPolarHBondContact O-CE2 3.37Å; A54-F61 HydrophobicContact CB-CD2 3.83Å; A54-F61 HydrophobicContact CB-CE2 4.49Å; C59-F61 PolarHBondContact O-N 2.71Å; F61-R63 HydrophobicContact CD1-CB 4.08Å; F61-R63 HydrophobicContact CD1-CG 4.41Å; F61-R63 HydrophobicContact CE1-CB 4.19Å; F61-R63 HydrophobicContact CE1-CG 4Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-R63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | D | 48.7 | Very low | 49.8 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | trans | -83.7 | 93.5 | 175.5 | -158 | -66.6 | 0 | 0 | 0 | 110.3 | L46 S60 K64 | L46-D62 HydrophobicContact CD2-CB 4.01Å; S60-D62 PolarHBondContact O-N 3.41Å; D62-K64 PolarHBondContact O-N 3.03Å; D62-K64 WeakPolarHBondContact OD1-CB 3.44Å; D62-K64 WeakPolarHBondContact OD1-CD 3.39Å; D62-K64 WeakPolarHBondContact OD1-CG 3.27Å; D62-K64 PolarHBondContact OD1-N 3.49Å | ||
| 63 | R | 42.1 | Very low | 49.2 | Very low | 222 Ų | 222 | 131.6 Ų | 131.6 | 84% | 0.838 | 63% | 0.629 | S | S | * | * | trans | -83.8 | 41.9 | 171.8 | -143.5 | -179.9 | -164.1 | -172.2 | 5.5 | 110.9 | F61 R65 | F61-R63 HydrophobicContact CD1-CB 4.08Å; F61-R63 HydrophobicContact CD1-CG 4.41Å; F61-R63 HydrophobicContact CE1-CB 4.19Å; F61-R63 HydrophobicContact CE1-CG 4Å; F61-R63 PolarHBondContact O-N 3.39Å; F61-R63 VanDerWaalsContact O-N 3.15Å; R63-R65 PolarHBondContact O-N 3.12Å | ||
| 64 | K | 41.9 | Very low | 48.5 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 73% | 0.73 | 65% | 0.649 | S | S | * | * | trans | -85 | 91.1 | 171.7 | -71.9 | 175 | 179.8 | 167.7 | 0 | 110.9 | D62 K66 | D62-K64 PolarHBondContact O-N 3.03Å; D62-K64 WeakPolarHBondContact OD1-CB 3.44Å; D62-K64 WeakPolarHBondContact OD1-CD 3.39Å; D62-K64 WeakPolarHBondContact OD1-CG 3.27Å; D62-K64 PolarHBondContact OD1-N 3.49Å; K64-K66 PolarHBondContact O-N 3.45Å; K64-K66 VanDerWaalsContact O-N 3.09Å | ||
| 65 | R | 38.5 | Very low | 47.7 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 94% | 0.943 | 69% | 0.691 | S | S | * | * | trans | -55.9 | 107.3 | 145.7 | -86.1 | -175.5 | 172.8 | 177.9 | -2.1 | 107.7 | R63 | R63-R65 PolarHBondContact O-N 3.12Š| ||
| 66 | K | 31.5 | Very low | 46.8 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | -85.9 | 109 | 153.9 | -98.4 | -175.5 | 173.2 | -178.4 | 0 | 107.4 | K64 L68 | K64-K66 PolarHBondContact O-N 3.45Å; K64-K66 VanDerWaalsContact O-N 3.09Å; K66-L68 PolarHBondContact O-N 3.34Å | ||
| 67 | K | 29.9 | Very low | 45.8 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 92% | 0.922 | 69% | 0.693 | S | S | * | * | trans | -68.2 | 110.9 | 150.4 | -119.7 | -179.3 | 177.7 | -175.8 | 0 | 104.9 | ||||
| 68 | L | 38.7 | Very low | 44.3 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 100% | 1.199 | 71% | 0.713 | S | S | * | * | trans | -83.8 | 0 | 155.1 | -100.7 | 153.7 | 0 | 0 | 0 | 107.1 | K66 | K66-L68 PolarHBondContact O-N 3.34Š|
Retrieved 68 of 68 residues in 91.6 ms
(Link to these results)