| 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 | 58.5 | Low | 72.5 | Confident | 226 Ų | 226 | 148.5 Ų | 148.5 | 100% | 1.113 | 68% | 0.682 | S | S | * | * | 0 | 115.7 | 0 | -160.2 | -166.8 | -47.5 | 0 | 0 | 106.4 | |||||
| 2 | I | 64.8 | Low | 74 | Confident | 156 Ų | 156 | 141.8 Ų | 141.8 | 80% | 0.8 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 120.8 | 179.9 | -70.8 | 162 | 0 | 0 | 0 | 107.2 | I4 | I2-I4 HydrophobicContact CG2-CG1 4.23Š|
| 3 | E | 68.4 | Low | 74.9 | Confident | 99 Ų | 99 | 140.8 Ų | 140.8 | 46% | 0.463 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -88.5 | 121.2 | 172.2 | -67.6 | -165.6 | 154 | 0 | 0 | 109.3 | Y5 R86 | E3-Y5 HydrophobicContact CB-CE2 3.86Å; E3-Y5 PolarHBondContact OE2-OH 3.09Å; E3-R86 VanDerWaalsContact CD-NH2 3.3Å; E3-R86 IonicContact OE1-CZ 3.5Å; E3-R86 IonicContact OE1-NH1 2.84Å; E3-R86 PolarHBondContact OE1-NH1 3Å; E3-R86 IonicContact OE1-NH2 3.19Å; E3-R86 PolarHBondContact OE1-NH2 3.09Å; E3-R86 IonicContact OE2-CZ 3.74Å; E3-R86 IonicContact OE2-NH1 3.81Å; E3-R86 IonicContact OE2-NH2 2.81Å; E3-R86 PolarHBondContact OE2-NH2 3.19Å |
| 4 | I | 74.1 | Confident | 75.7 | Confident | 146 Ų | 146 | 135.1 Ų | 135.1 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 123.5 | 176.1 | -59.3 | 170.7 | 0 | 0 | 0 | 107.8 | I2 | I2-I4 HydrophobicContact CG2-CG1 4.23Š|
| 5 | Y | 70.5 | Confident | 76.4 | Confident | 138 Ų | 138 | 132.2 Ų | 132.2 | 54% | 0.541 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -102.5 | 124.2 | 175.1 | -68.2 | -93.2 | 0 | 0 | 0 | 109.4 | E3 R86 | E3-Y5 HydrophobicContact CB-CE2 3.86Å; E3-Y5 PolarHBondContact OE2-OH 3.09Å; Y5-R86 PolarHBondContact OH-NH2 3.07Å |
| 6 | I | 72.1 | Confident | 76.9 | Confident | 121 Ų | 121 | 126.9 Ų | 126.9 | 62% | 0.621 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 116.1 | 174.7 | -60.1 | 170.7 | 0 | 0 | 0 | 107.4 | I8 | I6-I8 HydrophobicContact CG2-CG1 4.19Š|
| 7 | Y | 72 | Confident | 77.1 | Confident | 180 Ų | 180 | 126.2 Ų | 126.2 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 122.3 | 172 | -70.5 | -84.3 | 0 | 0 | 0 | 109.1 | ||
| 8 | I | 72.7 | Confident | 76.6 | Confident | 140 Ų | 140 | 124.9 Ų | 124.9 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -105.3 | 118.4 | 175.2 | -60.6 | 169.5 | 0 | 0 | 0 | 107.1 | I6 I10 | I6-I8 HydrophobicContact CG2-CG1 4.19Å; I8-I10 HydrophobicContact CG2-CG1 4.2Å | ||
| 9 | Y | 76.6 | Confident | 75.5 | Confident | 177 Ų | 177 | 122.8 Ų | 122.8 | 69% | 0.694 | 58% | 0.577 | S | S | * | * | trans | -93.9 | 123.5 | 174.2 | -68.9 | -84.1 | 0 | 0 | 0 | 109.4 | ||||
| 10 | I | 81.9 | Confident | 74.5 | Confident | 99 Ų | 99 | 125.1 Ų | 125.1 | 51% | 0.508 | 59% | 0.592 | S | S | . | * | trans | -112.2 | 117.1 | 175.2 | -56.2 | 175.1 | 0 | 0 | 0 | 107.4 | I8 I12 F119 | I8-I10 HydrophobicContact CG2-CG1 4.2Å; I10-I12 HydrophobicContact CG2-CD1 4.24Å; I10-I12 HydrophobicContact CG2-CG1 4.01Å; I10-F119 HydrophobicContact CG2-CD1 4.47Å | ||
| 11 | Y | 86.4 | Confident | 73.2 | Confident | 151 Ų | 151 | 124.3 Ų | 124.3 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | trans | -93.2 | 137.9 | 172.3 | -61.7 | -90.1 | 0 | 0 | 0 | 110.4 | G117 T118 | Y11-G117 CarbonylContact O-C 3.54Å; Y11-G117 WeakPolarHBondContact O-CA 3.19Å; Y11-T118 HydrophobicContact CD2-CG2 4Å; Y11-T118 HydrophobicContact CG-CG2 4.44Å; Y11-T118 PolarHBondContact N-OG1 2.78Å; Y11-T118 PolarHBondContact O-N 3.29Å; Y11-T118 PolarHBondContact O-OG1 3Å | ||
| 12 | I | 90 | Very high | 72.5 | Confident | 68 Ų | 68 | 119.8 Ų | 119.8 | 35% | 0.349 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.7 | -174.5 | -59.6 | 173.2 | 0 | 0 | 0 | 108.8 | I10 I14 F104 I115 S116 | I10-I12 HydrophobicContact CG2-CD1 4.24Å; I10-I12 HydrophobicContact CG2-CG1 4.01Å; I12-I14 HydrophobicContact CG2-CG1 4.3Å; I12-F104 HydrophobicContact CD1-CD1 3.84Å; I12-F104 HydrophobicContact CD1-CE1 3.3Å; I12-F104 HydrophobicContact CD1-CZ 4.06Å; I12-I115 HydrophobicContact CG2-CD1 3.63Å; I12-I115 HydrophobicContact CG2-CG1 3.49Å; I12-I115 VanDerWaalsContact CG2-CG1 3.49Å; I12-S116 CarbonylContact C-O 3.57Å; I12-S116 WeakPolarHBondContact CA-O 3.37Å |
| 13 | Y | 85.5 | Confident | 71.6 | Confident | 130 Ų | 130 | 118 Ų | 118 | 51% | 0.51 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.9 | 169 | -160.3 | -83.8 | 0 | 0 | 0 | 109.7 | Y15 S116 | Y13-Y15 AromaticContact CD1-CD1 3.86Å; Y13-Y15 HydrophobicContact CD1-CD1 3.86Å; Y13-Y15 AromaticContact CD1-CD2 3.76Å; Y13-Y15 HydrophobicContact CD1-CD2 3.76Å; Y13-Y15 AromaticContact CD1-CE1 3.47Å; Y13-Y15 HydrophobicContact CD1-CE1 3.47Å; Y13-Y15 VanDerWaalsContact CD1-CE1 3.47Å; Y13-Y15 AromaticContact CD1-CE2 3.38Å; Y13-Y15 HydrophobicContact CD1-CE2 3.38Å; Y13-Y15 AromaticContact CD1-CG 3.98Å; Y13-Y15 HydrophobicContact CD1-CG 3.98Å; Y13-Y15 AromaticContact CD1-CZ 3.19Å; Y13-Y15 AromaticContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD2 4.3Å; Y13-Y15 AromaticContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE2 4.05Å; Y13-Y15 HydrophobicContact CE1-CG 4.06Å; Y13-Y15 AromaticContact CE1-CZ 3.48Å; Y13-Y15 VanDerWaalsContact CE1-CZ 3.48Å; Y13-Y15 HydrophobicContact CG-CE2 4.24Å; Y13-S116 PolarHBondContact N-O 3.36Å; Y13-S116 PolarHBondContact O-N 2.67Å; Y13-S116 VanDerWaalsContact O-N 3.08Å |
| 14 | I | 86 | Confident | 70.2 | Confident | 61 Ų | 61 | 121 Ų | 121 | 31% | 0.313 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.3 | 179.9 | -58.2 | 177.5 | 0 | 0 | 0 | 108.1 | I12 W106 I113 Y114 | I12-I14 HydrophobicContact CG2-CG1 4.3Å; I14-W106 HydrophobicContact CB-CZ3 4.43Å; I14-W106 HydrophobicContact CD1-CD2 4.42Å; I14-W106 HydrophobicContact CD1-CE3 3.45Å; I14-W106 VanDerWaalsContact CD1-CE3 3.45Å; I14-W106 HydrophobicContact CD1-CZ3 3.68Å; I14-W106 HydrophobicContact CG2-CD2 4.09Å; I14-W106 HydrophobicContact CG2-CE3 3.95Å; I14-W106 HydrophobicContact CG2-CH2 4.29Å; I14-W106 HydrophobicContact CG2-CZ2 4.43Å; I14-W106 HydrophobicContact CG2-CZ3 4.05Å; I14-I113 HydrophobicContact CG2-CG2 3.98Å; I14-Y114 WeakPolarHBondContact CA-O 3.38Å |
| 15 | Y | 86.3 | Confident | 68.4 | Low | 91 Ų | 91 | 125.3 Ų | 125.3 | 36% | 0.357 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.5 | 172.9 | -58 | -89.4 | 0 | 0 | 0 | 107.9 | Y13 I113 Y114 R125 | Y13-Y15 AromaticContact CD1-CD1 3.86Å; Y13-Y15 HydrophobicContact CD1-CD1 3.86Å; Y13-Y15 AromaticContact CD1-CD2 3.76Å; Y13-Y15 HydrophobicContact CD1-CD2 3.76Å; Y13-Y15 AromaticContact CD1-CE1 3.47Å; Y13-Y15 HydrophobicContact CD1-CE1 3.47Å; Y13-Y15 VanDerWaalsContact CD1-CE1 3.47Å; Y13-Y15 AromaticContact CD1-CE2 3.38Å; Y13-Y15 HydrophobicContact CD1-CE2 3.38Å; Y13-Y15 AromaticContact CD1-CG 3.98Å; Y13-Y15 HydrophobicContact CD1-CG 3.98Å; Y13-Y15 AromaticContact CD1-CZ 3.19Å; Y13-Y15 AromaticContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD2 4.3Å; Y13-Y15 AromaticContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE2 4.05Å; Y13-Y15 HydrophobicContact CE1-CG 4.06Å; Y13-Y15 AromaticContact CE1-CZ 3.48Å; Y13-Y15 VanDerWaalsContact CE1-CZ 3.48Å; Y13-Y15 HydrophobicContact CG-CE2 4.24Å; Y15-I113 CarbonylContact O-C 3.57Å; Y15-I113 VanDerWaalsContact O-CA 3.28Å; Y15-I113 WeakPolarHBondContact O-CA 3Å; Y15-Y114 PolarHBondContact N-O 3.18Å; Y15-Y114 PolarHBondContact O-N 3.44Å; Y15-R125 HydrophobicContact CD2-CG 4.46Å; Y15-R125 HydrophobicContact CE2-CG 4.43Å |
| 16 | A | 85.1 | Confident | 66.6 | Low | 48 Ų | 48 | 124.1 Ų | 124.1 | 40% | 0.397 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 118.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | W106 I113 | A16-W106 HydrophobicContact CB-CZ2 4.36Å; A16-I113 HydrophobicContact CB-CG1 4.26Å |
| 17 | H | 79.4 | Confident | 64.6 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 53% | 0.532 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.7 | 173.2 | -158.8 | -84.2 | 0 | 0 | 0 | 108.7 | K111 D112 | H17-K111 PolarHBondContact O-N 3.48Å; H17-K111 VanDerWaalsContact O-N 3.12Å; H17-D112 PolarHBondContact N-O 2.74Å; H17-D112 PolarHBondContact O-N 3.27Å |
| 18 | D | 68.6 | Low | 63.1 | Low | 103 Ų | 103 | 126.6 Ų | 126.6 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | trans | -92.6 | 121.1 | 164.6 | -67.7 | -37.4 | 0 | 0 | 0 | 106.3 | L20 G110 | D18-L20 PolarHBondContact O-N 3.29Å; D18-G110 WeakPolarHBondContact OD1-CA 3.48Å; D18-G110 PolarHBondContact OD1-N 3.46Å | ||
| 19 | N | 56.2 | Low | 61.5 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | trans | -71 | 84.5 | 176.6 | -160.5 | -41.9 | 0 | 0 | 0 | 107.8 | D21 | N19-D21 PolarHBondContact O-N 2.98Å; N19-D21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | L | 54.7 | Low | 59.5 | Low | 167 Ų | 167 | 124.6 Ų | 124.6 | 87% | 0.874 | 61% | 0.613 | S | S | * | * | trans | -82.2 | 78.8 | 168.9 | -168.8 | 76.1 | 0 | 0 | 0 | 107.1 | D18 | D18-L20 PolarHBondContact O-N 3.29Š| ||
| 21 | D | 46.7 | Very low | 57.3 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | trans | 44.7 | 103.1 | 162.8 | -144.9 | 22.4 | 0 | 0 | 0 | 115.9 | N19 N23 | N19-D21 PolarHBondContact O-N 2.98Å; N19-D21 VanDerWaalsContact O-N 3.14Å; D21-N23 PolarHBondContact O-N 2.73Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD2-ND2 3.2Å | ||
| 22 | D | 45.4 | Very low | 54.8 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 25 | 174.4 | -76.1 | -45.8 | 0 | 0 | 0 | 114.9 | ||
| 23 | N | 44 | Very low | 52.2 | Low | 118 Ų | 118 | 126.6 Ų | 126.6 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 4.3 | -175.3 | -71 | -34.7 | 0 | 0 | 0 | 115.1 | D21 | D21-N23 PolarHBondContact O-N 2.73Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD2-ND2 3.2Å |
| 24 | N | 40.8 | Very low | 49.7 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 87% | 0.866 | 66% | 0.659 | S | S | * | * | trans | -102.4 | 36.7 | 176.1 | -109 | 13.3 | 0 | 0 | 0 | 114.8 | L26 | N24-L26 PolarHBondContact O-N 3.49Š| ||
| 25 | R | 36 | Very low | 46.9 | Very low | 237 Ų | 237 | 130.6 Ų | 130.6 | 89% | 0.894 | 68% | 0.682 | S | S | * | * | trans | -78.8 | 81.1 | 159.3 | -109 | -176 | 164.6 | 150.5 | -2.6 | 109.9 | ||||
| 26 | L | 31.2 | Very low | 44.2 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 59% | 0.586 | 70% | 0.702 | S | S | * | * | trans | -137.6 | 103.2 | 165.4 | -84.3 | -34.4 | 0 | 0 | 0 | 111.2 | N24 | N24-L26 PolarHBondContact O-N 3.49Š| ||
| 27 | Y | 31.1 | Very low | 41.5 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | trans | 54.9 | 86.3 | 155 | -15.5 | -78.7 | 0 | 0 | 0 | 117.8 | ||||
| 28 | D | 40.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 94% | 0.941 | 73% | 0.73 | S | S | * | * | trans | -105.5 | 85.3 | 138.6 | -78.3 | -37.6 | 0 | 0 | 0 | 107.5 | L30 | D28-L30 PolarHBondContact O-N 3.14Š| ||
| 29 | V | 39 | Very low | 37.2 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -63.3 | 124.4 | 171.1 | 169.6 | 0 | 0 | 0 | 0 | 108.2 | P31 | V29-P31 WeakPolarHBondContact O-CD 3.47Š| ||
| 30 | L | 34.6 | Very low | 35.9 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | -44.3 | 123.2 | 164 | -79.3 | 147.2 | 0 | 0 | 0 | 110.8 | D28 S32 | D28-L30 PolarHBondContact O-N 3.14Å; L30-S32 PolarHBondContact O-N 2.79Å; L30-S32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | P | 36.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -75.6 | 99.2 | 158.3 | 1 | 16.6 | 0 | 0 | 0 | 106.9 | V29 D33 | V29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-D33 PolarHBondContact O-N 3.08Å | ||
| 32 | S | 33.4 | Very low | 33.8 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -68.2 | 108.5 | 157.4 | 161.9 | 0 | 0 | 0 | 0 | 106.9 | L30 | L30-S32 PolarHBondContact O-N 2.79Å; L30-S32 VanDerWaalsContact O-N 3.09Å | ||
| 33 | D | 36.5 | Very low | 33.2 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | trans | -144.5 | 107.3 | 150.4 | -89.9 | -27.3 | 0 | 0 | 0 | 111.8 | P31 | P31-D33 PolarHBondContact O-N 3.08Š| ||
| 34 | H | 31.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 136 Ų | 136 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | 1.7 | 127.7 | 145.5 | 62 | -71.1 | 0 | 0 | 0 | 118.3 | ||||
| 35 | T | 28.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 143.1 | 121.8 | 120 | -37.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 36 | I | 29.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -75.4 | 138.8 | 179.4 | -55.3 | 161.5 | 0 | 0 | 0 | 109.4 | ||||
| 37 | T | 28.4 | Very low | 33 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -172.3 | 120.3 | 137.3 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | S | 29 | Very low | 33.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -77.4 | 143.4 | 166.8 | -46.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 39 | T | 27.9 | Very low | 33 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 176.6 | 127.4 | 134.4 | 35.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 40 | T | 28.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | 68.1 | 118.8 | 136.7 | 61.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 41 | S | 29.2 | Very low | 33 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | 83.5 | 115.8 | 115.2 | -174.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 42 | G | 28.1 | Very low | 33.3 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | 96.9 | 129.9 | 126.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 43 | G | 33.3 | Very low | 33.4 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 148.1 | 108.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 44 | D | 30.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 147.4 Ų | 147.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -76.3 | 141.9 | -179.6 | -52.2 | -62.8 | 0 | 0 | 0 | 112.9 | ||||
| 45 | E | 37.7 | Very low | 33.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -143.3 | 140.6 | 155.8 | 49 | -171.1 | 160.3 | 0 | 0 | 113.3 | ||||
| 46 | K | 38.7 | Very low | 33.6 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -118.7 | 120.6 | -147.6 | -163.8 | -177.1 | -170.6 | -176.3 | 0 | 109.2 | ||||
| 47 | I | 41.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 72% | 0.718 | 81% | 0.809 | S | S | * | * | trans | 19.1 | 127.5 | 152.8 | -45.4 | 174.4 | 0 | 0 | 0 | 118.3 | ||||
| 48 | P | 38.1 | Very low | 34.5 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | trans | -82.8 | 120.2 | 170.9 | 32.7 | -29.5 | 0 | 0 | 0 | 111.9 | F50 | P48-F50 PolarHBondContact O-N 3.27Š| ||
| 49 | N | 33 | Very low | 35 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -84 | 100.7 | 167.5 | -82 | -19.2 | 0 | 0 | 0 | 110.1 | ||||
| 50 | F | 37 | Very low | 35.6 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 82% | 0.82 | 82% | 0.815 | S | S | * | * | trans | -112.8 | 73.5 | 161.2 | -91.7 | -88.3 | 0 | 0 | 0 | 109.1 | P48 | P48-F50 PolarHBondContact O-N 3.27Š| ||
| 51 | L | 35.9 | Very low | 36.1 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -111 | 85.4 | 159.6 | -71 | 180 | 0 | 0 | 0 | 107 | ||||
| 52 | Q | 42.1 | Very low | 36.1 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.4 | 167.2 | -167.8 | 89 | 57.8 | 0 | 0 | 108.1 | ||
| 53 | E | 36.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.1 | -168.4 | -55.7 | -174.7 | 144.2 | 0 | 0 | 115 | ||
| 54 | R | 31.8 | Very low | 37 | Very low | 235 Ų | 235 | 148.1 Ų | 148.1 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 130.2 | 174.4 | 176.7 | -178.6 | -175.7 | 160.3 | 1.5 | 110.1 | ||
| 55 | P | 36.9 | Very low | 37.7 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 125.5 | 167.3 | -7.4 | 24.1 | 0 | 0 | 0 | 111 | ||
| 56 | S | 31.6 | Very low | 37.9 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 135.2 | 164.1 | 57 | 0 | 0 | 0 | 0 | 111.2 | ||
| 57 | S | 41.1 | Very low | 37.7 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -168.3 | 133.8 | 150.4 | -150.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 58 | V | 36 | Very low | 38 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 45.9 | 123.5 | 160 | -78.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 59 | G | 40 | Very low | 37.9 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 144.6 | 147.8 | 19.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 60 | P | 40.4 | Very low | 38 | Very low | 125 Ų | 125 | 151 Ų | 151 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -102.6 | 129.6 | -179.7 | 33.9 | -24.7 | 0 | 0 | 0 | 111.9 | ||||
| 61 | L | 37.4 | Very low | 37.9 | Very low | 175 Ų | 175 | 151.9 Ų | 151.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -149.5 | 118.9 | 153.8 | -108.4 | 123.6 | 0 | 0 | 0 | 110.6 | ||||
| 62 | C | 31.1 | Very low | 38 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -65.7 | 131.6 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 63 | S | 38.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -147.8 | 112.1 | 159.4 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 64 | T | 41.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | -65 | 127.8 | 166.4 | -58.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 65 | D | 45.7 | Very low | 37.9 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -151.1 | 145.6 | 140.8 | -138.9 | -19.4 | 0 | 0 | 0 | 111.2 | ||||
| 66 | E | 40.8 | Very low | 38 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 66% | 0.659 | 78% | 0.782 | S | S | * | * | trans | -100.7 | 164.4 | -156.4 | 51.4 | -125.7 | 176.1 | 0 | 0 | 113.5 | ||||
| 67 | R | 35.7 | Very low | 38.2 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 71.5 | 76.9 | 165.3 | -54.5 | -177.2 | -168.6 | -110.8 | 2.4 | 117.8 | ||||
| 68 | I | 46.5 | Very low | 38.1 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | trans | -130.7 | 90.9 | 144.2 | -56.6 | -178.3 | 0 | 0 | 0 | 109.3 | Y70 | I68-Y70 VanDerWaalsContact O-CD2 3.29Å; I68-Y70 WeakPolarHBondContact O-CD2 3.29Å; I68-Y70 PolarHBondContact O-N 2.91Å | ||
| 69 | M | 36.6 | Very low | 38.1 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | 42.7 | 50.6 | 118.3 | -150.4 | -179.6 | 74.1 | 0 | 0 | 117.9 | |||||
| 70 | Y | 35.3 | Very low | 38 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -106.7 | 83.9 | 152.8 | -62.7 | -75.9 | 0 | 0 | 0 | 109 | I68 H72 | I68-Y70 VanDerWaalsContact O-CD2 3.29Å; I68-Y70 WeakPolarHBondContact O-CD2 3.29Å; I68-Y70 PolarHBondContact O-N 2.91Å; Y70-H72 PolarHBondContact O-N 3Å | ||
| 71 | K | 36 | Very low | 37.9 | Very low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | trans | -66.7 | 80.4 | 147 | -77.4 | -155.3 | 178.2 | -170.6 | 0 | 106.7 | S73 | K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 3.4Å | ||
| 72 | H | 37 | Very low | 38.3 | Very low | 158 Ų | 158 | 146 Ų | 146 | 73% | 0.731 | 75% | 0.749 | S | S | * | * | trans | -69 | 100.5 | 158.7 | -142.1 | 70 | 0 | 0 | 0 | 104.6 | Y70 Q74 | Y70-H72 PolarHBondContact O-N 3Å; H72-Q74 PolarHBondContact O-N 3.12Å | ||
| 73 | S | 35.1 | Very low | 39 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | trans | -49 | 92.9 | 159.4 | 41 | 0 | 0 | 0 | 0 | 106.8 | K71 P75 | K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 3.4Å; S73-P75 VanDerWaalsContact O-CD 3.23Å; S73-P75 WeakPolarHBondContact O-CD 3.44Å; S73-P75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | Q | 36.8 | Very low | 39.5 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | trans | -57.1 | 119.2 | 165.9 | -68.1 | -154.9 | -11.1 | 0 | 0 | 104.9 | H72 Q76 | H72-Q74 PolarHBondContact O-N 3.12Å; Q74-Q76 PolarHBondContact O-N 3.48Å | ||
| 75 | P | 37.6 | Very low | 39.8 | Very low | 99 Ų | 99 | 152 Ų | 152 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | trans | -54.8 | 121.4 | 154.7 | -7.7 | 23.4 | 0 | 0 | 0 | 103.2 | S73 I77 | S73-P75 VanDerWaalsContact O-CD 3.23Å; S73-P75 WeakPolarHBondContact O-CD 3.44Å; S73-P75 VanDerWaalsContact O-N 3.12Å; P75-I77 HydrophobicContact CB-CG1 4.33Å; P75-I77 PolarHBondContact O-N 3.02Å | ||
| 76 | Q | 37.8 | Very low | 40.5 | Very low | 182 Ų | 182 | 152.1 Ų | 152.1 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -64.6 | 84.8 | 162.6 | -62.2 | -145.9 | 9.2 | 0 | 0 | 104.8 | Q74 I78 | Q74-Q76 PolarHBondContact O-N 3.48Å; Q76-I78 PolarHBondContact O-N 3.36Å | ||
| 77 | I | 36.6 | Very low | 41.4 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | trans | -60.1 | 104.5 | 161.6 | -57.6 | -174.5 | 0 | 0 | 0 | 101.2 | P75 L79 | P75-I77 HydrophobicContact CB-CG1 4.33Å; P75-I77 PolarHBondContact O-N 3.02Å; I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.19Å | ||
| 78 | I | 38.2 | Very low | 42.7 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | trans | -42.9 | 107 | 170 | -62.6 | 173 | 0 | 0 | 0 | 104.1 | Q76 N80 | Q76-I78 PolarHBondContact O-N 3.36Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.27Å; I78-N80 PolarHBondContact O-N 2.82Å | ||
| 79 | L | 36.7 | Very low | 43.4 | Very low | 142 Ų | 142 | 148 Ų | 148 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -70.9 | 78.3 | 172.2 | -156.6 | 84.3 | 0 | 0 | 0 | 103.1 | I77 N81 | I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.19Å; L79-N81 WeakPolarHBondContact CD2-OD1 3.37Å; L79-N81 PolarHBondContact O-N 2.88Å | ||
| 80 | N | 38 | Very low | 44.5 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | trans | -54.6 | 101.1 | 153.3 | -67.5 | -17.4 | 0 | 0 | 0 | 101.9 | I78 T82 | I78-N80 WeakPolarHBondContact CG2-OD1 3.27Å; I78-N80 PolarHBondContact O-N 2.82Å; N80-T82 HydrophobicContact CB-CG2 4.46Å; N80-T82 PolarHBondContact O-N 2.84Å | ||
| 81 | N | 37.4 | Very low | 45.5 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | trans | -60.8 | 60.3 | 162.3 | -86.4 | -10.8 | 0 | 0 | 0 | 107.4 | L79 S83 | L79-N81 WeakPolarHBondContact CD2-OD1 3.37Å; L79-N81 PolarHBondContact O-N 2.88Å; N81-S83 PolarHBondContact O-N 2.71Å; N81-S83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | T | 45.3 | Very low | 46.5 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | trans | -77.4 | 74.9 | 145.4 | 57.7 | 0 | 0 | 0 | 0 | 103.4 | N80 R84 | N80-T82 HydrophobicContact CB-CG2 4.46Å; N80-T82 PolarHBondContact O-N 2.84Å; T82-R84 PolarHBondContact O-N 2.97Å | ||
| 83 | S | 45.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -45.8 | 101.7 | 146 | 169.1 | 0 | 0 | 0 | 0 | 103.4 | N81 D85 | N81-S83 PolarHBondContact O-N 2.71Å; N81-S83 VanDerWaalsContact O-N 3.08Å; S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 PolarHBondContact O-N 2.9Å | ||
| 84 | R | 49.3 | Very low | 48.1 | Very low | 229 Ų | 229 | 140.2 Ų | 140.2 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -55.1 | 109.3 | 172.7 | -75.9 | -165 | -105.6 | 170.2 | -6.7 | 102.6 | T82 R86 | T82-R84 PolarHBondContact O-N 2.97Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.07Å | ||
| 85 | D | 48 | Very low | 49.2 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -49.4 | 103.9 | 178.3 | -80.8 | -40.2 | 0 | 0 | 0 | 105.3 | S83 A87 | S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 PolarHBondContact O-N 2.9Å; D85-A87 PolarHBondContact O-N 3.13Å | ||
| 86 | R | 59.5 | Low | 50.2 | Low | 148 Ų | 148 | 138.2 Ų | 138.2 | 56% | 0.558 | 70% | 0.699 | S | S | * | * | trans | -56.1 | 119.9 | -175.6 | -176.6 | -176.2 | -174.1 | -167.8 | 5.2 | 103.7 | E3 Y5 R84 R88 | E3-R86 VanDerWaalsContact CD-NH2 3.3Å; E3-R86 IonicContact OE1-CZ 3.5Å; E3-R86 IonicContact OE1-NH1 2.84Å; E3-R86 PolarHBondContact OE1-NH1 3Å; E3-R86 IonicContact OE1-NH2 3.19Å; E3-R86 PolarHBondContact OE1-NH2 3.09Å; E3-R86 IonicContact OE2-CZ 3.74Å; E3-R86 IonicContact OE2-NH1 3.81Å; E3-R86 IonicContact OE2-NH2 2.81Å; E3-R86 PolarHBondContact OE2-NH2 3.19Å; Y5-R86 PolarHBondContact OH-NH2 3.07Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.07Å; R86-R88 PolarHBondContact O-N 2.96Å | ||
| 87 | A | 59.3 | Low | 51.6 | Low | 82 Ų | 82 | 132.6 Ų | 132.6 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | -45.8 | 120.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | D85 T89 | D85-A87 PolarHBondContact O-N 3.13Å; A87-T89 VanDerWaalsContact C-N 3.35Å; A87-T89 PolarHBondContact O-N 3.38Å | ||
| 88 | R | 63.2 | Low | 53.4 | Low | 227 Ų | 227 | 130.1 Ų | 130.1 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | trans | -56.6 | 100.2 | -175.6 | 176.3 | 179.4 | 158.3 | -151.1 | -4.4 | 108 | R86 L90 | R86-R88 PolarHBondContact O-N 2.96Å; R88-L90 PolarHBondContact O-N 3.44Å | ||
| 89 | T | 61.8 | Low | 55.4 | Low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 120.7 | 176.5 | 34.1 | 0 | 0 | 0 | 0 | 107.3 | A87 | A87-T89 VanDerWaalsContact C-N 3.35Å; A87-T89 PolarHBondContact O-N 3.38Å |
| 90 | L | 60.6 | Low | 57.7 | Low | 90 Ų | 90 | 132.2 Ų | 132.2 | 47% | 0.471 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -57 | 131.5 | 172.3 | -77 | 157.5 | 0 | 0 | 0 | 107.7 | R88 T92 L98 | R88-L90 PolarHBondContact O-N 3.44Å; L90-T92 PolarHBondContact O-N 3.48Å; L90-L98 HydrophobicContact CD1-CD1 4.41Å; L90-L98 HydrophobicContact CD1-CD2 4.27Å |
| 91 | P | 56.1 | Low | 60.1 | Low | 74 Ų | 74 | 132.9 Ų | 132.9 | 48% | 0.481 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 138 | 176.5 | 22.5 | -30.9 | 0 | 0 | 0 | 108.4 | R93 | P91-R93 HydrophobicContact CB-CG 4.49Å; P91-R93 PolarHBondContact O-N 2.83Å |
| 92 | T | 57.5 | Low | 62.6 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -61 | 29.9 | -171.5 | -35.4 | 0 | 0 | 0 | 0 | 115.1 | L90 K94 | L90-T92 PolarHBondContact O-N 3.48Å; T92-K94 PolarHBondContact O-N 3.08Å |
| 93 | R | 51.5 | Low | 64.7 | Low | 208 Ų | 208 | 131.4 Ų | 131.4 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -77.6 | 103 | 176.5 | -59.2 | -175.1 | -177.8 | 134 | 0.9 | 107.1 | P91 | P91-R93 HydrophobicContact CB-CG 4.49Å; P91-R93 PolarHBondContact O-N 2.83Å |
| 94 | K | 53.6 | Low | 66.7 | Low | 177 Ų | 177 | 131.2 Ų | 131.2 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | 32.2 | 95.8 | 174.7 | -94.7 | -177.8 | 173 | 177.8 | 0 | 112.9 | T92 V96 | T92-K94 PolarHBondContact O-N 3.08Å; K94-V96 HydrophobicContact CB-CB 4.47Å; K94-V96 HydrophobicContact CB-CG2 4.09Å; K94-V96 HydrophobicContact CD-CG2 4.29Å; K94-V96 HydrophobicContact CG-CG2 4.05Å; K94-V96 PolarHBondContact O-N 3.19Å | ||
| 95 | L | 59.7 | Low | 68.5 | Low | 101 Ų | 101 | 129.9 Ų | 129.9 | 53% | 0.529 | 67% | 0.67 | S | S | . | * | trans | -66.5 | 30.7 | 166.8 | -48.9 | 178.9 | 0 | 0 | 0 | 112.2 | G97 L98 | L95-G97 PolarHBondContact O-N 3.3Å; L95-L98 HydrophobicContact CB-CD1 4.25Å; L95-L98 HydrophobicContact CD2-CD1 3.31Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L95-L98 HydrophobicContact CG-CD1 4.33Å | ||
| 96 | V | 59.5 | Low | 70.3 | Confident | 122 Ų | 122 | 127.4 Ų | 127.4 | 74% | 0.739 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -86.7 | 100.3 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 105.7 | K94 | K94-V96 HydrophobicContact CB-CB 4.47Å; K94-V96 HydrophobicContact CB-CG2 4.09Å; K94-V96 HydrophobicContact CD-CG2 4.29Å; K94-V96 HydrophobicContact CG-CG2 4.05Å; K94-V96 PolarHBondContact O-N 3.19Å |
| 97 | G | 67 | Low | 71.5 | Confident | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 96.7 | 19.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L95 K99 | L95-G97 PolarHBondContact O-N 3.3Å; G97-K99 VanDerWaalsContact C-N 3.28Å; G97-K99 PolarHBondContact O-N 3.34Å |
| 98 | L | 74 | Confident | 72.7 | Confident | 90 Ų | 90 | 124.9 Ų | 124.9 | 47% | 0.471 | 65% | 0.645 | S | S | . | * | trans | -68.7 | 89.5 | 168 | -68.2 | -175.1 | 0 | 0 | 0 | 110.1 | L90 L95 L100 | L90-L98 HydrophobicContact CD1-CD1 4.41Å; L90-L98 HydrophobicContact CD1-CD2 4.27Å; L95-L98 HydrophobicContact CB-CD1 4.25Å; L95-L98 HydrophobicContact CD2-CD1 3.31Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L95-L98 HydrophobicContact CG-CD1 4.33Å; L98-L100 PolarHBondContact O-N 3.29Å | ||
| 99 | K | 80 | Confident | 73.5 | Confident | 201 Ų | 201 | 116.8 Ų | 116.8 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -89.2 | 94.7 | 168.5 | -68.3 | -177.5 | 178.9 | -179.4 | 0 | 107.9 | G97 | G97-K99 VanDerWaalsContact C-N 3.28Å; G97-K99 PolarHBondContact O-N 3.34Å | ||
| 100 | L | 84.2 | Confident | 74.4 | Confident | 116 Ų | 116 | 112 Ų | 112 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | trans | -93.4 | 129.9 | 173.8 | -64 | 174.9 | 0 | 0 | 0 | 109.1 | L98 T102 | L98-L100 PolarHBondContact O-N 3.29Å; L100-T102 PolarHBondContact O-N 3.02Å; L100-T102 PolarHBondContact O-OG1 2.95Å | ||
| 101 | P | 88.7 | Confident | 75.5 | Confident | 129 Ų | 129 | 113.5 Ų | 113.5 | 84% | 0.838 | 61% | 0.608 | S | S | * | * | trans | -61.9 | 127.4 | 174.5 | 26.6 | -32.7 | 0 | 0 | 0 | 109.1 | ||||
| 102 | T | 89.4 | Confident | 77 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 59% | 0.589 | 60% | 0.599 | S | S | * | * | trans | -126.8 | 128.1 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 107.4 | L100 F104 | L100-T102 PolarHBondContact O-N 3.02Å; L100-T102 PolarHBondContact O-OG1 2.95Å; T102-F104 HydrophobicContact CG2-CE1 4.19Å; T102-F104 HydrophobicContact CG2-CE2 4.31Å; T102-F104 HydrophobicContact CG2-CZ 3.92Å | ||
| 103 | V | 89.3 | Confident | 78.6 | Confident | 124 Ų | 124 | 107 Ų | 107 | 75% | 0.752 | 56% | 0.564 | S | S | * | * | trans | -104.7 | 125.9 | -179.2 | -180 | 0 | 0 | 0 | 0 | 108.7 | R105 | V103-R105 HydrophobicContact CG1-CG 4.08Š| ||
| 104 | F | 88.4 | Confident | 80.5 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 39% | 0.386 | 54% | 0.542 | S | S | . | . | trans | -98.7 | 124.6 | 170.6 | -60.1 | -73.2 | 0 | 0 | 0 | 108.9 | I12 T102 I115 | I12-F104 HydrophobicContact CD1-CD1 3.84Å; I12-F104 HydrophobicContact CD1-CE1 3.3Å; I12-F104 HydrophobicContact CD1-CZ 4.06Å; T102-F104 HydrophobicContact CG2-CE1 4.19Å; T102-F104 HydrophobicContact CG2-CE2 4.31Å; T102-F104 HydrophobicContact CG2-CZ 3.92Å; F104-I115 HydrophobicContact CB-CD1 3.84Å; F104-I115 HydrophobicContact CD1-CD1 3.81Å; F104-I115 HydrophobicContact CD2-CD1 3.7Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; F104-I115 HydrophobicContact CE2-CD1 4.19Å; F104-I115 HydrophobicContact CG-CD1 3.48Å; F104-I115 VanDerWaalsContact CG-CD1 3.48Å; F104-I115 HydrophobicContact CZ-CD1 4.48Å | ||
| 105 | R | 88.4 | Confident | 82.4 | Confident | 201 Ų | 201 | 93.2 Ų | 93.2 | 76% | 0.758 | 51% | 0.508 | S | S | * | . | trans | -112.1 | 129.3 | 176.8 | -64.6 | -175.8 | 65.2 | -149.4 | -2.7 | 109.2 | V103 | V103-R105 HydrophobicContact CG1-CG 4.08Š| ||
| 106 | W | 85.8 | Confident | 84 | Confident | 99 Ų | 99 | 88.6 Ų | 88.6 | 38% | 0.375 | 49% | 0.485 | S | S | . | . | trans | -110.5 | 125.4 | 170.9 | 176.9 | -107.4 | 0 | 0 | 0 | 108.6 | I14 A16 G108 G109 I113 I128 | I14-W106 HydrophobicContact CB-CZ3 4.43Å; I14-W106 HydrophobicContact CD1-CD2 4.42Å; I14-W106 HydrophobicContact CD1-CE3 3.45Å; I14-W106 VanDerWaalsContact CD1-CE3 3.45Å; I14-W106 HydrophobicContact CD1-CZ3 3.68Å; I14-W106 HydrophobicContact CG2-CD2 4.09Å; I14-W106 HydrophobicContact CG2-CE3 3.95Å; I14-W106 HydrophobicContact CG2-CH2 4.29Å; I14-W106 HydrophobicContact CG2-CZ2 4.43Å; I14-W106 HydrophobicContact CG2-CZ3 4.05Å; A16-W106 HydrophobicContact CB-CZ2 4.36Å; W106-G108 VanDerWaalsContact CD1-O 3.31Å; W106-G108 VanDerWaalsContact NE1-C 3.32Å; W106-G108 VanDerWaalsContact NE1-CA 3.34Å; W106-G108 PolarHBondContact NE1-O 3.34Å; W106-G109 PolarHBondContact NE1-O 2.84Å; W106-I113 HydrophobicContact CG-CD1 4.37Å; W106-I113 HydrophobicContact CG-CG2 4.28Å; W106-I128 HydrophobicContact CB-CD1 4.01Å | ||
| 107 | N | 84.5 | Confident | 85.6 | Confident | 140 Ų | 140 | 82.8 Ų | 82.8 | 75% | 0.749 | 45% | 0.449 | S | S | * | . | trans | -104.5 | 4 | -179.1 | -62.6 | -23.7 | 0 | 0 | 0 | 112.5 | ||||
| 108 | G | 83.9 | Confident | 86.7 | Confident | 38 Ų | 38 | 82.6 Ų | 82.6 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -85.9 | 171.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | W106 | W106-G108 VanDerWaalsContact CD1-O 3.31Å; W106-G108 VanDerWaalsContact NE1-C 3.32Å; W106-G108 VanDerWaalsContact NE1-CA 3.34Å; W106-G108 PolarHBondContact NE1-O 3.34Å |
| 109 | G | 79.9 | Confident | 87.5 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | trans | -69.4 | -177.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W106 | W106-G109 PolarHBondContact NE1-O 2.84Š| ||
| 110 | G | 80.8 | Confident | 87.9 | Confident | 13 Ų | 13 | 74.5 Ų | 74.5 | 13% | 0.134 | 40% | 0.398 | C | S | . | . | trans | 136.5 | 121.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | D18 I130 | D18-G110 WeakPolarHBondContact OD1-CA 3.48Å; D18-G110 PolarHBondContact OD1-N 3.46Å; G110-I130 WeakPolarHBondContact O-CD1 3.23Å | ||
| 111 | K | 82.8 | Confident | 88.3 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -72.1 | -45.2 | 168.3 | 179.2 | -172 | 159.7 | -66.5 | 0 | 110.2 | H17 I130 | H17-K111 PolarHBondContact O-N 3.48Å; H17-K111 VanDerWaalsContact O-N 3.12Å; K111-I130 VanDerWaalsContact O-CD1 3.29Å; K111-I130 WeakPolarHBondContact O-CD1 3.32Å |
| 112 | D | 88.1 | Confident | 88.4 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 110.7 | -179.3 | -54.9 | -51 | 0 | 0 | 0 | 108.3 | H17 Y114 | H17-D112 PolarHBondContact N-O 2.74Å; H17-D112 PolarHBondContact O-N 3.27Å; D112-Y114 HydrophobicContact CB-CE2 3.84Å |
| 113 | I | 90.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.6 | -176.9 | -60.4 | 155.3 | 0 | 0 | 0 | 109.8 | I14 Y15 A16 W106 P127 I128 I130 | I14-I113 HydrophobicContact CG2-CG2 3.98Å; Y15-I113 CarbonylContact O-C 3.57Å; Y15-I113 VanDerWaalsContact O-CA 3.28Å; Y15-I113 WeakPolarHBondContact O-CA 3Å; A16-I113 HydrophobicContact CB-CG1 4.26Å; W106-I113 HydrophobicContact CG-CD1 4.37Å; W106-I113 HydrophobicContact CG-CG2 4.28Å; I113-P127 CarbonylContact O-C 3.56Å; I113-P127 WeakPolarHBondContact O-CA 3.36Å; I113-I128 HydrophobicContact CB-CB 4.18Å; I113-I128 HydrophobicContact CG2-CB 3.93Å; I113-I128 HydrophobicContact CG2-CD1 3.79Å; I113-I128 HydrophobicContact CG2-CG1 4.07Å; I113-I128 PolarHBondContact O-N 2.78Å; I113-I130 HydrophobicContact CD1-CD1 3.95Å; I113-I130 HydrophobicContact CD1-CG1 3.81Å |
| 114 | Y | 92.3 | Very high | 88.8 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 33% | 0.333 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.6 | 179.5 | -57 | -93.6 | 0 | 0 | 0 | 111.8 | I14 Y15 D112 R125 I126 P127 | I14-Y114 WeakPolarHBondContact CA-O 3.38Å; Y15-Y114 PolarHBondContact N-O 3.18Å; Y15-Y114 PolarHBondContact O-N 3.44Å; D112-Y114 HydrophobicContact CB-CE2 3.84Å; Y114-R125 HydrophobicContact CD1-CB 3.89Å; Y114-R125 HydrophobicContact CG-CB 4.18Å; Y114-I126 CarbonylContact C-O 3.55Å; Y114-I126 VanDerWaalsContact CA-O 3.32Å; Y114-I126 WeakPolarHBondContact CA-O 3.1Å; Y114-P127 HydrophobicContact CD1-CB 4.15Å; Y114-P127 HydrophobicContact CE1-CB 4.07Å |
| 115 | I | 92.8 | Very high | 89 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 5% | 0.051 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134.4 | 170.6 | -168.3 | 174.5 | 0 | 0 | 0 | 110.4 | I12 F104 F119 I126 I128 | I12-I115 HydrophobicContact CG2-CD1 3.63Å; I12-I115 HydrophobicContact CG2-CG1 3.49Å; I12-I115 VanDerWaalsContact CG2-CG1 3.49Å; F104-I115 HydrophobicContact CB-CD1 3.84Å; F104-I115 HydrophobicContact CD1-CD1 3.81Å; F104-I115 HydrophobicContact CD2-CD1 3.7Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; F104-I115 HydrophobicContact CE2-CD1 4.19Å; F104-I115 HydrophobicContact CG-CD1 3.48Å; F104-I115 VanDerWaalsContact CG-CD1 3.48Å; F104-I115 HydrophobicContact CZ-CD1 4.48Å; I115-F119 HydrophobicContact CD1-CE1 4.43Å; I115-F119 HydrophobicContact CG1-CE1 4.38Å; I115-F119 HydrophobicContact CG1-CZ 4.35Å; I115-I126 HydrophobicContact CG2-CB 3.76Å; I115-I126 HydrophobicContact CG2-CG2 4.28Å; I115-I126 WeakPolarHBondContact CG2-O 3.15Å; I115-I126 PolarHBondContact N-O 2.71Å; I115-I126 PolarHBondContact O-N 2.79Å; I115-I128 HydrophobicContact CB-CD1 4.28Å; I115-I128 HydrophobicContact CB-CG1 4.36Å; I115-I128 HydrophobicContact CG2-CG1 4.31Å |
| 116 | S | 93.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.7 | 169.6 | -66.8 | 0 | 0 | 0 | 0 | 109.2 | I12 Y13 K124 R125 | I12-S116 CarbonylContact C-O 3.57Å; I12-S116 WeakPolarHBondContact CA-O 3.37Å; Y13-S116 PolarHBondContact N-O 3.36Å; Y13-S116 PolarHBondContact O-N 2.67Å; Y13-S116 VanDerWaalsContact O-N 3.08Å; S116-K124 WeakPolarHBondContact CB-O 3.02Å; S116-K124 PolarHBondContact OG-O 2.65Å; S116-R125 WeakPolarHBondContact OG-CA 3.49Å; S116-R125 WeakPolarHBondContact OG-CG 3.38Å |
| 117 | G | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -174 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y11 F119 N121 W122 | Y11-G117 CarbonylContact O-C 3.54Å; Y11-G117 WeakPolarHBondContact O-CA 3.19Å; G117-F119 PolarHBondContact O-N 2.97Å; G117-N121 PolarHBondContact O-N 2.75Å; G117-W122 VanDerWaalsContact CA-CZ3 3.48Å; G117-W122 PolarHBondContact O-N 2.68Å |
| 118 | T | 91.1 | Very high | 89.7 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -68.6 | -15.2 | 174.8 | 44 | 0 | 0 | 0 | 0 | 114.1 | Y11 D120 N121 W122 | Y11-T118 HydrophobicContact CD2-CG2 4Å; Y11-T118 HydrophobicContact CG-CG2 4.44Å; Y11-T118 PolarHBondContact N-OG1 2.78Å; Y11-T118 PolarHBondContact O-N 3.29Å; Y11-T118 PolarHBondContact O-OG1 3Å; T118-D120 PolarHBondContact O-N 2.7Å; T118-N121 PolarHBondContact O-N 3.08Å; T118-W122 HydrophobicContact CG2-CZ2 3.84Å |
| 119 | F | 89.4 | Confident | 89.7 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 40% | 0.395 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -67.3 | -20.9 | 179.3 | 55.2 | -101.9 | 0 | 0 | 0 | 113.4 | I10 I115 G117 I126 | I10-F119 HydrophobicContact CG2-CD1 4.47Å; I115-F119 HydrophobicContact CD1-CE1 4.43Å; I115-F119 HydrophobicContact CG1-CE1 4.38Å; I115-F119 HydrophobicContact CG1-CZ 4.35Å; G117-F119 PolarHBondContact O-N 2.97Å; F119-I126 HydrophobicContact CE2-CD1 3.67Å; F119-I126 HydrophobicContact CZ-CD1 4.22Å |
| 120 | D | 89.1 | Confident | 89.6 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 17% | 0.166 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -132.2 | 24.6 | 176.2 | 72 | -22.9 | 0 | 0 | 0 | 112.2 | T118 W122 E123 K124 | T118-D120 PolarHBondContact O-N 2.7Å; D120-W122 PolarHBondContact O-N 2.81Å; D120-W122 VanDerWaalsContact O-N 3.13Å; D120-W122 PolarHBondContact OD1-N 3.19Å; D120-E123 WeakPolarHBondContact O-CB 3.49Å; D120-E123 WeakPolarHBondContact O-CG 3.41Å; D120-E123 PolarHBondContact O-N 2.8Å; D120-E123 VanDerWaalsContact O-N 3.07Å; D120-K124 WeakPolarHBondContact OD2-CA 3.5Å; D120-K124 VanDerWaalsContact OD2-CB 3.27Å; D120-K124 WeakPolarHBondContact OD2-CB 3.28Å; D120-K124 PolarHBondContact OD2-N 2.79Å; D120-K124 VanDerWaalsContact OD2-N 3.09Å |
| 121 | N | 91.8 | Very high | 89.2 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.7 | -179.7 | -158.4 | 52.6 | 0 | 0 | 0 | 113.8 | G117 T118 E123 | G117-N121 PolarHBondContact O-N 2.75Å; T118-N121 PolarHBondContact O-N 3.08Å; N121-E123 HydrophobicContact CB-CG 4.45Å; N121-E123 PolarHBondContact O-N 2.84Å |
| 122 | W | 92.4 | Very high | 88.2 | Confident | 119 Ų | 119 | 82 Ų | 82 | 45% | 0.451 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 15 | -179.1 | -45.6 | 98.3 | 0 | 0 | 0 | 114.9 | G117 T118 D120 | G117-W122 VanDerWaalsContact CA-CZ3 3.48Å; G117-W122 PolarHBondContact O-N 2.68Å; T118-W122 HydrophobicContact CG2-CZ2 3.84Å; D120-W122 PolarHBondContact O-N 2.81Å; D120-W122 VanDerWaalsContact O-N 3.13Å; D120-W122 PolarHBondContact OD1-N 3.19Å |
| 123 | E | 94 | Very high | 86.9 | Confident | 147 Ų | 147 | 86.6 Ų | 86.6 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | trans | -74.1 | -32.4 | -174.4 | -68.7 | -178.9 | 179.6 | 0 | 0 | 112.8 | D120 N121 | D120-E123 WeakPolarHBondContact O-CB 3.49Å; D120-E123 WeakPolarHBondContact O-CG 3.41Å; D120-E123 PolarHBondContact O-N 2.8Å; D120-E123 VanDerWaalsContact O-N 3.07Å; N121-E123 HydrophobicContact CB-CG 4.45Å; N121-E123 PolarHBondContact O-N 2.84Å | ||
| 124 | K | 92.3 | Very high | 85.1 | Confident | 138 Ų | 138 | 94.2 Ų | 94.2 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | trans | -122.9 | 149.8 | -174.5 | -54.6 | 176.2 | -176.3 | 173.4 | 0 | 111.6 | S116 D120 | S116-K124 WeakPolarHBondContact CB-O 3.02Å; S116-K124 PolarHBondContact OG-O 2.65Å; D120-K124 WeakPolarHBondContact OD2-CA 3.5Å; D120-K124 VanDerWaalsContact OD2-CB 3.27Å; D120-K124 WeakPolarHBondContact OD2-CB 3.28Å; D120-K124 PolarHBondContact OD2-N 2.79Å; D120-K124 VanDerWaalsContact OD2-N 3.09Å | ||
| 125 | R | 92 | Very high | 83.2 | Confident | 161 Ų | 161 | 98.8 Ų | 98.8 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | trans | -102.4 | 106.4 | 164.9 | -84.2 | -172.4 | -83.3 | -135.3 | 2.8 | 107.5 | Y15 Y114 S116 | Y15-R125 HydrophobicContact CD2-CG 4.46Å; Y15-R125 HydrophobicContact CE2-CG 4.43Å; Y114-R125 HydrophobicContact CD1-CB 3.89Å; Y114-R125 HydrophobicContact CG-CB 4.18Å; S116-R125 WeakPolarHBondContact OG-CA 3.49Å; S116-R125 WeakPolarHBondContact OG-CG 3.38Å | ||
| 126 | I | 92.4 | Very high | 81.6 | Confident | 76 Ų | 76 | 110 Ų | 110 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.1 | 179.6 | -57.5 | 173.1 | 0 | 0 | 0 | 107.5 | Y114 I115 F119 | Y114-I126 CarbonylContact C-O 3.55Å; Y114-I126 VanDerWaalsContact CA-O 3.32Å; Y114-I126 WeakPolarHBondContact CA-O 3.1Å; I115-I126 HydrophobicContact CG2-CB 3.76Å; I115-I126 HydrophobicContact CG2-CG2 4.28Å; I115-I126 WeakPolarHBondContact CG2-O 3.15Å; I115-I126 PolarHBondContact N-O 2.71Å; I115-I126 PolarHBondContact O-N 2.79Å; F119-I126 HydrophobicContact CE2-CD1 3.67Å; F119-I126 HydrophobicContact CZ-CD1 4.22Å |
| 127 | P | 91.3 | Very high | 81 | Confident | 89 Ų | 89 | 115.3 Ų | 115.3 | 58% | 0.578 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.5 | 177.7 | 26.6 | -32.4 | 0 | 0 | 0 | 111 | I113 Y114 | I113-P127 CarbonylContact O-C 3.56Å; I113-P127 WeakPolarHBondContact O-CA 3.36Å; Y114-P127 HydrophobicContact CD1-CB 4.15Å; Y114-P127 HydrophobicContact CE1-CB 4.07Å |
| 128 | I | 90.2 | Very high | 80.3 | Confident | 36 Ų | 36 | 121.4 Ų | 121.4 | 19% | 0.185 | 59% | 0.592 | C | S | . | * | P | Polyproline II helix | trans | -85.9 | 127.5 | 170.1 | -64.4 | -173.4 | 0 | 0 | 0 | 108 | W106 I113 I115 I130 | W106-I128 HydrophobicContact CB-CD1 4.01Å; I113-I128 HydrophobicContact CB-CB 4.18Å; I113-I128 HydrophobicContact CG2-CB 3.93Å; I113-I128 HydrophobicContact CG2-CD1 3.79Å; I113-I128 HydrophobicContact CG2-CG1 4.07Å; I113-I128 PolarHBondContact O-N 2.78Å; I115-I128 HydrophobicContact CB-CD1 4.28Å; I115-I128 HydrophobicContact CB-CG1 4.36Å; I115-I128 HydrophobicContact CG2-CG1 4.31Å; I128-I130 PolarHBondContact O-N 2.89Å |
| 129 | V | 84.4 | Confident | 79.7 | Confident | 127 Ų | 127 | 124.9 Ų | 124.9 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 120.6 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | E131 | V129-E131 PolarHBondContact O-N 3.04Š|
| 130 | I | 77.9 | Confident | 79.2 | Confident | 78 Ų | 78 | 126.9 Ų | 126.9 | 40% | 0.4 | 62% | 0.617 | S | S | . | * | trans | -84.3 | 110.5 | 171.1 | -54.9 | 159.3 | 0 | 0 | 0 | 106.1 | G110 K111 I113 I128 T132 | G110-I130 WeakPolarHBondContact O-CD1 3.23Å; K111-I130 VanDerWaalsContact O-CD1 3.29Å; K111-I130 WeakPolarHBondContact O-CD1 3.32Å; I113-I130 HydrophobicContact CD1-CD1 3.95Å; I113-I130 HydrophobicContact CD1-CG1 3.81Å; I128-I130 PolarHBondContact O-N 2.89Å; I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 HydrophobicContact CG2-CG2 4.43Å; I130-T132 PolarHBondContact O-N 2.68Å | ||
| 131 | E | 71.6 | Confident | 78.5 | Confident | 175 Ų | 175 | 132.9 Ų | 132.9 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | trans | -74.3 | 91 | 167.4 | -73.5 | -175.9 | 178 | 0 | 0 | 108.1 | V129 Q133 | V129-E131 PolarHBondContact O-N 3.04Å; E131-Q133 PolarHBondContact O-N 2.76Å | ||
| 132 | T | 62.7 | Low | 77.7 | Confident | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 65% | 0.647 | S | S | * | * | trans | -70.9 | 106.3 | 160.4 | 33 | 0 | 0 | 0 | 0 | 107.4 | I130 E134 | I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 HydrophobicContact CG2-CG2 4.43Å; I130-T132 PolarHBondContact O-N 2.68Å; T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 PolarHBondContact O-N 3.03Å | ||
| 133 | Q | 59.4 | Low | 76.6 | Confident | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | trans | -68.2 | 91.2 | 171.3 | -155 | 127.4 | 52.8 | 0 | 0 | 107.6 | E131 F135 | E131-Q133 PolarHBondContact O-N 2.76Å; Q133-F135 HydrophobicContact CB-CE2 4.07Å; Q133-F135 HydrophobicContact CG-CD2 4.46Å; Q133-F135 HydrophobicContact CG-CE1 4.5Å; Q133-F135 HydrophobicContact CG-CE2 3.97Å; Q133-F135 HydrophobicContact CG-CZ 3.99Å; Q133-F135 WeakPolarHBondContact O-CD2 3.29Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-F135 VanDerWaalsContact O-N 3.08Å | ||
| 134 | E | 52.7 | Low | 75.3 | Confident | 168 Ų | 168 | 134.1 Ų | 134.1 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -67.9 | 104.3 | 166.1 | -78.8 | -152.8 | 161.6 | 0 | 0 | 107.5 | T132 M136 | T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 PolarHBondContact O-N 3.03Å; E134-M136 PolarHBondContact O-N 2.9Å | ||
| 135 | F | 53.9 | Low | 73.9 | Confident | 181 Ų | 181 | 133.8 Ų | 133.8 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | trans | -73.3 | 108 | 166.5 | -70.4 | -86 | 0 | 0 | 0 | 107.6 | Q133 | Q133-F135 HydrophobicContact CB-CE2 4.07Å; Q133-F135 HydrophobicContact CG-CD2 4.46Å; Q133-F135 HydrophobicContact CG-CE1 4.5Å; Q133-F135 HydrophobicContact CG-CE2 3.97Å; Q133-F135 HydrophobicContact CG-CZ 3.99Å; Q133-F135 WeakPolarHBondContact O-CD2 3.29Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-F135 VanDerWaalsContact O-N 3.08Å | ||
| 136 | M | 58 | Low | 72.2 | Confident | 247 Ų | 247 | 131.3 Ų | 131.3 | 100% | 1.217 | 67% | 0.668 | S | S | * | * | trans | -72.5 | 0 | 164 | -75.5 | -177.1 | -166.3 | 0 | 0 | 111.5 | E134 | E134-M136 PolarHBondContact O-N 2.9Š|
Retrieved 136 of 136 residues in 98.5 ms
(Link to these results)